#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6p n MET 3 N 0.00 0.07 -3.72 0.00 0.00 -1.26 -5.14 117.12 107.08 3a6p n MET 3 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 57.70 57.64 3a6p n MET 3 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 33.22 32.60 3a6p n MET 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3a6p s ASP 4 N -4.36 -0.34 0.01 6.12 2.15 -1.26 -5.16 116.67 113.83 3a6p s ASP 4 Ca -0.04 -0.43 -0.02 0.00 0.43 0.00 0.00 52.55 52.49 3a6p s ASP 4 Cb 0.01 0.67 -0.04 0.00 -0.30 0.00 0.00 42.92 43.26 3a6p s ASP 4 CO 0.06 -1.20 0.19 -1.58 -0.17 0.00 0.00 175.17 172.47 3a6p s GLN 5 N -3.87 3.42 0.22 4.34 0.74 -1.26 -5.02 119.66 118.23 3a6p s GLN 5 Ca 0.08 -0.37 -0.10 0.00 0.05 0.00 0.00 55.36 55.03 3a6p s GLN 5 Cb -0.04 -3.06 0.32 0.00 1.10 0.00 0.00 33.01 31.33 3a6p s GLN 5 CO 0.00 0.65 1.68 0.28 -0.55 0.00 0.00 175.29 177.35 3a6p h VAL 6 N 2.59 0.54 -0.62 1.34 2.07 -2.01 -2.17 116.25 117.99 3a6p h VAL 6 Ca -0.48 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.00 3a6p h VAL 6 Cb 1.18 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3a6p h VAL 6 CO 0.71 0.03 0.40 0.78 0.02 0.00 0.00 177.57 179.51 3a6p h ASN 7 N 0.18 0.67 -0.31 0.57 2.35 -2.00 -3.07 115.58 113.97 3a6p h ASN 7 Ca 0.33 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.05 3a6p h ASN 7 Cb 0.54 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3a6p h ASN 7 CO -0.49 0.47 0.08 0.00 -1.65 0.00 0.00 177.43 175.85 3a6p h ALA 8 N 1.25 0.41 -0.45 -0.83 0.00 -1.81 -3.21 119.26 114.61 3a6p h ALA 8 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3a6p h ALA 8 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3a6p h ALA 8 CO -0.08 0.06 0.25 -0.07 0.00 0.00 0.00 179.25 179.41 3a6p h LEU 9 N 0.34 0.56 -1.10 0.00 3.38 -1.44 -2.97 115.31 114.08 3a6p h LEU 9 Ca 0.10 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.14 3a6p h LEU 9 Cb 0.27 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 3a6p h LEU 9 CO -0.00 0.48 0.61 0.00 0.09 0.00 0.00 178.44 179.62 3a6p h GLU 11 N 0.80 0.12 -0.07 0.00 4.81 -1.54 -0.90 114.58 117.80 3a6p h GLU 11 Ca 0.52 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.58 3a6p h GLU 11 Cb 0.75 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3a6p h GLU 11 CO -0.29 0.08 -0.68 1.96 -0.73 0.00 0.00 179.01 179.35 3a6p h GLN 12 N 0.12 0.32 -0.68 1.92 4.20 -1.13 -2.75 115.11 117.12 3a6p h GLN 12 Ca 0.08 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 3a6p h GLN 12 Cb 0.06 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3a6p h GLN 12 CO -0.10 0.88 0.18 -0.07 -0.67 0.00 0.00 178.83 179.05 3a6p h LEU 13 N 0.23 1.02 -1.11 1.46 3.38 -0.71 0.22 115.31 119.79 3a6p h LEU 13 Ca -0.02 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.78 3a6p h LEU 13 Cb 1.22 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 3a6p h LEU 13 CO 0.11 0.98 0.61 0.58 0.09 0.00 0.00 178.44 180.80 3a6p h VAL 14 N 1.01 1.09 -0.12 1.22 2.07 -1.09 -1.20 116.25 119.22 3a6p h VAL 14 Ca 0.21 -0.37 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 3a6p h VAL 14 Cb 0.35 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3a6p h VAL 14 CO -0.00 0.20 -0.49 0.11 0.02 0.00 0.00 177.57 177.40 3a6p h LYS 15 N 1.09 0.32 -0.12 1.57 1.79 -0.84 -2.17 116.57 118.19 3a6p h LYS 15 Ca 0.39 -0.18 -0.22 0.00 -2.18 0.00 0.00 60.65 58.46 3a6p h LYS 15 Cb 0.16 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3a6p h LYS 15 CO -0.14 0.74 -0.80 0.00 -1.08 0.00 0.00 179.45 178.16 3a6p h ALA 16 N 1.23 0.33 -0.04 3.86 0.00 -0.26 -2.82 119.26 121.56 3a6p h ALA 16 Ca 0.01 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 3a6p h ALA 16 Cb 0.96 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3a6p h ALA 16 CO 0.08 0.70 -0.59 -0.24 0.00 0.00 0.00 179.25 179.20 3a6p h VAL 17 N 0.48 1.40 -0.22 0.00 3.04 -1.18 -2.52 116.25 117.26 3a6p h VAL 17 Ca -0.06 -1.98 -0.19 0.00 -1.01 0.00 0.00 66.70 63.46 3a6p h VAL 17 Cb 1.43 2.02 0.00 0.00 -2.01 0.00 0.00 31.29 32.74 3a6p h VAL 17 CO 0.16 0.58 -0.63 0.74 -1.01 0.00 0.00 177.57 177.41 3a6p h THR 18 N 0.11 1.29 -0.07 3.17 2.02 -1.43 -2.78 112.91 115.22 3a6p h THR 18 Ca -0.01 -1.84 -0.13 0.00 0.77 0.00 0.00 66.41 65.21 3a6p h THR 18 Cb 1.07 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 3a6p h THR 18 CO 0.09 0.59 -0.52 0.58 0.37 0.00 0.00 175.52 176.62 3a6p h VAL 19 N 0.56 1.36 0.00 3.16 2.07 -1.46 -1.94 116.25 120.01 3a6p h VAL 19 Ca -0.01 -1.79 -0.06 0.00 0.82 0.00 0.00 66.70 65.66 3a6p h VAL 19 Cb 1.23 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 3a6p h VAL 19 CO 0.13 0.53 -0.29 0.24 0.02 0.00 0.00 177.57 178.20 3a6p h MET 20 N 0.16 0.00 -0.00 1.57 2.86 -1.38 -3.02 114.93 115.11 3a6p h MET 20 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3a6p h MET 20 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 3a6p h MET 20 CO 0.08 0.29 -0.93 -1.33 1.06 0.00 0.00 176.91 176.08 3a6p n MET 21 N -3.49 0.10 -1.81 1.72 2.81 -1.06 -4.85 117.12 110.54 3a6p n MET 21 Ca -0.00 -0.08 -0.41 0.00 -1.81 0.00 0.00 57.70 55.40 3a6p n MET 21 Cb 0.45 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 3a6p n MET 21 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3a6p s ASP 22 N -2.96 5.43 0.28 7.83 3.68 -0.75 -4.87 116.67 125.30 3a6p s ASP 22 Ca 0.09 1.32 -0.01 0.00 2.13 0.00 0.00 52.55 56.09 3a6p s ASP 22 Cb 0.16 -2.52 0.47 0.00 -1.45 0.00 0.00 42.92 39.59 3a6p s ASP 22 CO 0.84 -2.07 1.87 1.55 0.13 0.00 0.00 175.17 177.49 3a6p h PRO 23 N 14.95 1.07 -2.05 4.34 0.13 -1.89 -3.10 132.00 145.46 3a6p h PRO 23 Ca -0.33 -0.06 -0.74 0.00 -0.87 0.00 0.00 66.00 63.99 3a6p h PRO 23 Cb 1.21 -0.24 -0.30 0.00 0.13 0.00 0.00 31.00 31.79 3a6p h PRO 23 CO 1.05 0.71 0.69 0.27 -0.23 0.00 0.00 178.00 180.49 3a6p n ASN 24 N -4.53 6.87 -4.77 1.44 0.23 -1.26 -5.01 115.26 108.22 3a6p n ASN 24 Ca 0.16 -3.76 -0.31 0.00 -0.53 0.00 0.00 54.58 50.15 3a6p n ASN 24 Cb 0.24 -0.98 -0.07 0.00 -2.08 0.00 0.00 39.78 36.89 3a6p n ASN 24 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3a6p s SER 25 N -1.68 5.51 0.18 0.53 1.04 -1.17 -5.07 113.70 113.03 3a6p s SER 25 Ca 0.47 -0.01 -0.32 0.00 0.48 0.00 0.00 55.95 56.57 3a6p s SER 25 Cb 0.34 -1.47 -0.16 0.00 0.10 0.00 0.00 66.02 64.82 3a6p s SER 25 CO -0.27 0.18 0.97 0.41 0.98 0.00 0.00 173.24 175.50 3a6p n THR 26 N 0.50 1.23 0.09 2.02 -1.04 -1.26 -4.84 114.28 110.97 3a6p n THR 26 Ca -0.09 -0.31 0.05 0.00 -2.04 0.00 0.00 64.05 61.67 3a6p n THR 26 Cb 0.52 -0.55 0.50 0.00 -1.82 0.00 0.00 70.33 68.98 3a6p n THR 26 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3a6p h GLN 27 N 2.50 0.35 -0.15 -2.82 5.75 -1.99 -2.57 115.11 116.18 3a6p h GLN 27 Ca -0.40 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.02 3a6p h GLN 27 Cb 1.38 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.85 3a6p h GLN 27 CO 0.65 0.23 -0.14 -0.09 -2.65 0.00 0.00 178.83 176.83 3a6p h ARG 28 N 0.36 0.35 -0.71 1.69 1.12 -2.01 -2.42 114.38 112.77 3a6p h ARG 28 Ca 0.10 -0.18 0.02 0.00 -1.11 0.00 0.00 59.98 58.80 3a6p h ARG 28 Cb -0.04 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.89 3a6p h ARG 28 CO -0.02 0.73 0.47 1.88 -3.11 0.00 0.00 179.97 179.92 3a6p h TYR 29 N -0.02 0.87 0.24 2.20 0.99 -1.90 -2.67 116.97 116.68 3a6p h TYR 29 Ca 0.02 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3a6p h TYR 29 Cb 0.66 -0.29 -0.03 0.00 1.00 0.00 0.00 36.73 38.07 3a6p h TYR 29 CO 0.08 0.53 -0.43 0.00 -0.00 0.00 0.00 178.16 178.34 3a6p h ARG 30 N 0.92 -0.69 -0.78 4.88 3.08 -1.30 -1.74 114.38 118.75 3a6p h ARG 30 Ca 0.27 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.50 3a6p h ARG 30 Cb -0.04 0.16 -0.09 0.00 0.08 0.00 0.00 29.97 30.08 3a6p h ARG 30 CO -0.07 -0.46 0.36 -0.07 -1.07 0.00 0.00 179.97 178.66 3a6p h LEU 31 N -0.72 0.41 -0.97 3.04 3.38 -1.19 0.14 115.31 119.40 3a6p h LEU 31 Ca -0.03 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3a6p h LEU 31 Cb 0.67 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3a6p h LEU 31 CO -0.16 0.18 -0.11 -0.33 0.09 0.00 0.00 178.44 178.12 3a6p h GLU 32 N 0.55 0.63 0.27 1.13 3.07 -1.38 0.23 114.58 119.08 3a6p h GLU 32 Ca 0.42 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 3a6p h GLU 32 Cb 0.58 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3a6p h GLU 32 CO -0.36 0.72 -0.13 0.00 -1.40 0.00 0.00 179.01 177.84 3a6p h ALA 33 N 1.31 -0.37 -0.65 3.43 0.00 -0.20 -1.02 119.26 121.76 3a6p h ALA 33 Ca 0.10 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.99 3a6p h ALA 33 Cb 0.53 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 3a6p h ALA 33 CO 0.03 -0.57 0.07 1.25 0.00 0.00 0.00 179.25 180.03 3a6p h LEU 34 N -0.63 -0.14 -1.04 0.00 5.85 -0.50 -2.33 115.31 116.51 3a6p h LEU 34 Ca -0.04 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3a6p h LEU 34 Cb 0.45 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3a6p h LEU 34 CO 0.06 -0.07 -0.30 0.50 -0.34 0.00 0.00 178.44 178.29 3a6p h LYS 35 N 0.18 0.31 -0.27 1.25 3.64 -0.35 -2.03 116.57 119.30 3a6p h LYS 35 Ca 0.35 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3a6p h LYS 35 Cb 0.57 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 3a6p h LYS 35 CO -0.50 0.58 0.10 0.35 -2.27 0.00 0.00 179.45 177.71 3a6p h PHE 36 N 0.27 0.18 -0.17 1.91 3.57 -0.69 -2.79 116.94 119.23 3a6p h PHE 36 Ca 0.04 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 3a6p h PHE 36 Cb 0.67 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3a6p h PHE 36 CO 0.01 0.09 -0.41 0.00 -2.23 0.00 0.00 178.31 175.77 3a6p h GLU 38 N 0.23 -0.02 -0.09 0.00 3.07 -1.54 0.12 114.58 116.35 3a6p h GLU 38 Ca -0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3a6p h GLU 38 Cb 1.02 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 3a6p h GLU 38 CO 0.09 -0.01 0.04 1.49 -1.40 0.00 0.00 179.01 179.22 3a6p h GLU 39 N -0.02 0.09 -0.63 2.33 4.57 -1.36 -1.86 114.58 117.71 3a6p h GLU 39 Ca 0.09 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.37 3a6p h GLU 39 Cb 0.16 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.65 3a6p h GLU 39 CO -0.20 0.06 0.22 0.35 -1.18 0.00 0.00 179.01 178.26 3a6p h PHE 40 N 0.09 0.37 0.00 0.92 3.57 -0.79 0.45 116.94 121.56 3a6p h PHE 40 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3a6p h PHE 40 Cb 0.01 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3a6p h PHE 40 CO -0.09 0.07 0.00 1.63 -2.23 0.00 0.00 178.31 177.69 3a6p n LYS 41 N -5.02 0.22 -0.11 1.11 5.02 0.38 -2.02 118.16 117.74 3a6p n LYS 41 Ca 0.09 0.36 -0.16 0.00 -2.02 0.00 0.00 58.31 56.58 3a6p n LYS 41 Cb 0.30 -1.86 -0.10 0.00 -0.02 0.00 0.00 35.03 33.35 3a6p n LYS 41 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3a6p n GLU 42 N -2.26 0.56 -0.10 1.97 1.02 -0.65 -4.82 120.64 116.36 3a6p n GLU 42 Ca 0.03 0.14 -0.14 0.00 -0.02 0.00 0.00 57.16 57.17 3a6p n GLU 42 Cb 0.30 -1.45 -0.09 0.00 -0.02 0.00 0.00 31.44 30.18 3a6p n GLU 42 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3a6p n LYS 43 N -3.23 0.55 -1.67 3.49 5.02 0.06 -4.99 118.16 117.39 3a6p n LYS 43 Ca -0.41 0.11 -0.47 0.00 -2.02 0.00 0.00 58.31 55.52 3a6p n LYS 43 Cb 0.92 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 34.49 3a6p n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a6p h PRO 45 N 7.31 0.00 -1.53 0.00 0.13 -1.94 -3.32 132.00 132.65 3a6p h PRO 45 Ca -0.46 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.02 3a6p h PRO 45 Cb 1.26 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.14 3a6p h PRO 45 CO 0.91 0.55 0.83 0.44 -0.23 0.00 0.00 178.00 180.50 3a6p n ILE 46 N -3.21 3.48 -0.09 -3.56 -5.35 -1.26 -4.69 119.36 104.68 3a6p n ILE 46 Ca 0.01 -3.26 -0.11 0.00 -0.27 0.00 0.00 62.75 59.12 3a6p n ILE 46 Cb 0.77 -1.26 -0.04 0.00 -1.74 0.00 0.00 39.64 37.37 3a6p n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a6p h VAL 48 N 0.26 1.22 -0.78 0.00 2.07 -1.92 0.29 116.25 117.39 3a6p h VAL 48 Ca 0.08 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3a6p h VAL 48 Cb 0.38 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3a6p h VAL 48 CO 0.01 0.27 0.42 -0.65 0.02 0.00 0.00 177.57 177.64 3a6p h PRO 49 N 0.78 1.09 -0.45 1.57 0.11 -1.93 -0.54 132.00 132.63 3a6p h PRO 49 Ca 0.19 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3a6p h PRO 49 Cb 0.19 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3a6p h PRO 49 CO -0.02 0.81 0.26 0.00 -0.21 0.00 0.00 178.00 178.84 3a6p h GLY 51 N 0.60 0.58 2.00 0.00 0.00 -0.19 -2.11 103.07 103.95 3a6p h GLY 51 Ca 0.16 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3a6p h GLY 51 CO -0.03 0.32 -0.25 1.41 0.00 0.00 0.00 176.54 177.99 3a6p h LEU 52 N 0.42 0.00 0.04 3.11 3.38 -1.06 -1.90 115.31 119.29 3a6p h LEU 52 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3a6p h LEU 52 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3a6p h LEU 52 CO -0.01 0.25 -0.02 -0.09 0.09 0.00 0.00 178.44 178.67 3a6p h ARG 53 N 0.00 -0.05 0.00 1.13 2.43 -1.01 -3.26 114.38 113.63 3a6p h ARG 53 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3a6p h ARG 53 Cb 0.55 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3a6p h ARG 53 CO 0.03 0.63 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.94 3a6p h LEU 54 N -0.83 0.00 -0.66 3.80 3.38 -1.37 -2.70 115.31 116.93 3a6p h LEU 54 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a6p h LEU 54 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3a6p h LEU 54 CO 0.01 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.64 3a6p n ALA 55 N -2.30 2.55 -2.84 1.53 0.00 -0.72 -3.51 120.51 115.21 3a6p n ALA 55 Ca -0.02 -0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.01 3a6p n ALA 55 Cb 0.21 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 3a6p n ALA 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3a6p s GLU 56 N -1.64 3.02 0.13 0.00 2.02 -1.02 -4.91 118.70 116.29 3a6p s GLU 56 Ca 0.06 -0.90 0.08 0.00 0.02 0.00 0.00 54.97 54.23 3a6p s GLU 56 Cb 0.04 -2.67 0.45 0.00 0.10 0.00 0.00 34.13 32.05 3a6p s GLU 56 CO 0.03 0.45 1.25 0.36 0.02 0.00 0.00 175.26 177.37 3a6p n LYS 57 N -0.78 0.05 0.06 1.61 2.85 -1.26 -1.77 118.16 118.92 3a6p n LYS 57 Ca -0.08 0.55 -0.07 0.00 -1.05 0.00 0.00 58.31 57.66 3a6p n LYS 57 Cb 0.56 -1.68 -0.12 0.00 -0.65 0.00 0.00 35.03 33.14 3a6p n LYS 57 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 3a6p h THR 58 N 0.00 1.69 -3.82 0.58 2.02 -1.93 -3.47 112.91 107.98 3a6p h THR 58 Ca 0.00 -3.39 -0.43 0.00 0.77 0.00 0.00 66.41 63.35 3a6p h THR 58 Cb 0.01 2.84 0.17 0.00 -1.74 0.00 0.00 68.15 69.44 3a6p h THR 58 CO 0.00 0.96 0.31 -1.10 0.37 0.00 0.00 175.52 176.06 3a6p s GLN 59 N -2.72 -0.12 0.36 6.66 1.11 -0.73 -5.00 119.66 119.22 3a6p s GLN 59 Ca 0.01 -0.27 -0.25 0.00 0.01 0.00 0.00 55.36 54.87 3a6p s GLN 59 Cb 0.10 -1.74 -0.10 0.00 -1.01 0.00 0.00 33.01 30.26 3a6p s GLN 59 CO 0.82 -2.95 0.97 0.08 0.01 0.00 0.00 175.29 174.22 3a6p s VAL 60 N -3.53 4.12 0.18 1.09 1.01 -1.26 -4.78 120.40 117.23 3a6p s VAL 60 Ca 0.73 1.64 -0.19 0.00 0.00 0.00 0.00 61.98 64.15 3a6p s VAL 60 Cb -0.06 -3.85 0.12 0.00 0.00 0.00 0.00 36.38 32.58 3a6p s VAL 60 CO 0.54 0.02 1.62 0.00 0.00 0.00 0.00 175.10 177.28 3a6p h ALA 61 N 2.76 0.07 -0.95 5.51 0.00 -1.96 0.44 119.26 125.13 3a6p h ALA 61 Ca -0.48 0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.80 3a6p h ALA 61 Cb 1.19 0.57 -0.18 0.00 0.00 0.00 0.00 17.79 19.37 3a6p h ALA 61 CO 0.64 -0.59 -0.16 -0.89 0.00 0.00 0.00 179.25 178.24 3a6p n ILE 62 N -5.40 -0.40 -0.03 0.00 -0.00 -1.26 -0.81 119.36 111.46 3a6p n ILE 62 Ca 0.03 2.15 -0.15 0.00 -0.00 0.00 0.00 62.75 64.78 3a6p n ILE 62 Cb 0.32 -3.02 -0.10 0.00 -0.00 0.00 0.00 39.64 36.83 3a6p n ILE 62 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 3a6p h VAL 63 N 0.00 1.46 -0.28 1.39 2.07 -0.57 -2.60 116.25 117.73 3a6p h VAL 63 Ca 0.49 -1.78 0.07 0.00 0.82 0.00 0.00 66.70 66.29 3a6p h VAL 63 Cb 0.84 2.46 -0.07 0.00 -1.52 0.00 0.00 31.29 32.99 3a6p h VAL 63 CO -0.95 0.50 -0.25 0.03 0.02 0.00 0.00 177.57 176.93 3a6p h ARG 64 N -0.26 -0.23 -0.86 1.57 3.08 -0.14 -0.52 114.38 117.02 3a6p h ARG 64 Ca -0.03 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.17 3a6p h ARG 64 Cb 0.98 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.02 3a6p h ARG 64 CO 0.06 -0.15 0.55 1.25 -1.07 0.00 0.00 179.97 180.62 3a6p h HIS 65 N -0.24 0.79 -0.01 3.04 2.76 -0.95 -0.01 115.15 120.54 3a6p h HIS 65 Ca 0.15 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.19 3a6p h HIS 65 Cb 0.47 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 3a6p h HIS 65 CO -0.42 0.32 -0.71 0.35 -1.30 0.00 0.00 177.93 176.17 3a6p h PHE 66 N 0.69 0.07 0.28 5.26 3.57 -0.86 -0.45 116.94 125.50 3a6p h PHE 66 Ca 0.42 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 3a6p h PHE 66 Cb 0.64 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3a6p h PHE 66 CO -0.00 0.74 -0.13 0.78 -2.23 0.00 0.00 178.31 177.47 3a6p h GLY 67 N 2.01 -0.39 0.79 2.40 0.00 0.47 -2.46 103.07 105.89 3a6p h GLY 67 Ca -0.01 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.55 3a6p h GLY 67 CO 0.10 -0.14 0.56 1.41 0.00 0.00 0.00 176.54 178.46 3a6p h LEU 68 N -0.45 0.78 -1.02 3.11 3.38 -1.06 -2.07 115.31 117.99 3a6p h LEU 68 Ca -0.04 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3a6p h LEU 68 Cb 0.34 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3a6p h LEU 68 CO 0.06 0.47 -0.03 -0.61 0.09 0.00 0.00 178.44 178.42 3a6p h GLN 69 N 0.87 0.67 0.68 1.13 4.15 -0.97 -0.46 115.11 121.18 3a6p h GLN 69 Ca 0.39 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.60 3a6p h GLN 69 Cb 0.36 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.98 3a6p h GLN 69 CO -0.16 0.71 -0.33 0.82 -1.93 0.00 0.00 178.83 177.94 3a6p h ILE 70 N 0.62 0.32 -0.62 2.39 2.04 -0.90 0.80 117.51 122.16 3a6p h ILE 70 Ca 0.12 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 66.04 3a6p h ILE 70 Cb 0.44 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 3a6p h ILE 70 CO 0.02 0.00 0.22 -0.07 0.00 0.00 0.00 178.15 178.33 3a6p h LEU 71 N -0.94 0.20 -0.85 1.44 3.38 -1.03 0.31 115.31 117.81 3a6p h LEU 71 Ca -0.09 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.10 3a6p h LEU 71 Cb 0.71 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.44 3a6p h LEU 71 CO 0.15 0.12 0.45 -0.08 0.09 0.00 0.00 178.44 179.18 3a6p h GLU 72 N 0.39 0.64 -0.19 1.13 4.81 -1.04 -2.52 114.58 117.80 3a6p h GLU 72 Ca 0.31 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 3a6p h GLU 72 Cb 0.40 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3a6p h GLU 72 CO -0.32 0.43 -0.17 1.25 -0.73 0.00 0.00 179.01 179.47 3a6p h HIS 73 N 0.66 0.35 -0.13 0.92 2.76 0.21 -0.80 115.15 119.12 3a6p h HIS 73 Ca 0.46 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.55 3a6p h HIS 73 Cb 0.61 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.47 3a6p h HIS 73 CO -0.08 0.49 -0.01 0.28 -1.30 0.00 0.00 177.93 177.31 3a6p h VAL 74 N 0.30 1.26 -0.38 5.26 2.07 -1.04 0.24 116.25 123.96 3a6p h VAL 74 Ca 0.06 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 3a6p h VAL 74 Cb 0.48 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3a6p h VAL 74 CO 0.03 0.25 0.06 0.58 0.02 0.00 0.00 177.57 178.51 3a6p h VAL 75 N -0.03 1.19 0.00 2.57 2.07 -1.16 -0.08 116.25 120.81 3a6p h VAL 75 Ca 0.04 -0.71 -0.24 0.00 0.82 0.00 0.00 66.70 66.61 3a6p h VAL 75 Cb 0.39 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3a6p h VAL 75 CO 0.01 0.25 -1.32 0.50 0.02 0.00 0.00 177.57 177.03 3a6p h LYS 76 N 0.56 0.00 0.00 1.57 3.64 -0.93 -3.36 116.57 118.05 3a6p h LYS 76 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3a6p h LYS 76 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3a6p h LYS 76 CO 0.00 0.71 -0.44 1.19 -2.27 0.00 0.00 179.45 178.64 3a6p n PHE 77 N -3.18 0.00 -0.42 1.91 3.01 0.84 -4.83 117.46 114.79 3a6p n PHE 77 Ca -0.08 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.42 3a6p n PHE 77 Cb 0.98 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.51 3a6p n PHE 77 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3a6p n ARG 78 N -1.18 2.37 -0.08 -1.08 1.74 -0.06 -4.76 116.66 113.60 3a6p n ARG 78 Ca 0.00 -1.94 -0.11 0.00 -0.77 0.00 0.00 57.85 55.03 3a6p n ARG 78 Cb 0.00 -1.21 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 3a6p n ARG 78 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 3a6p h TRP 79 N 0.10 0.48 0.00 -1.55 2.91 -1.67 -2.54 115.95 113.69 3a6p h TRP 79 Ca 0.00 -0.08 -0.00 0.00 1.13 0.00 0.00 58.89 59.93 3a6p h TRP 79 Cb 0.71 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.23 3a6p h TRP 79 CO 0.02 0.61 -0.00 -0.91 -1.03 0.00 0.00 178.44 177.12 3a6p h ASN 80 N 0.22 0.00 -0.95 2.65 -0.26 -1.91 -1.79 115.58 113.55 3a6p h ASN 80 Ca 0.07 0.00 -0.64 0.00 -0.56 0.00 0.00 56.30 55.17 3a6p h ASN 80 Cb 0.42 0.00 -0.27 0.00 -1.06 0.00 0.00 38.32 37.40 3a6p h ASN 80 CO 0.01 0.00 0.83 0.61 -1.06 0.00 0.00 177.43 177.82 3a6p n GLY 81 N -1.13 5.66 3.11 2.83 0.00 -0.96 -4.94 105.19 109.77 3a6p n GLY 81 Ca -0.03 -2.16 -0.18 0.00 0.00 0.00 0.00 46.02 43.65 3a6p n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a6p s MET 82 N -3.61 0.82 0.64 1.61 -1.94 -0.67 -5.09 119.30 111.05 3a6p s MET 82 Ca 0.61 -0.71 -0.15 0.00 -1.71 0.00 0.00 55.69 53.74 3a6p s MET 82 Cb 0.48 -0.78 -0.01 0.00 2.01 0.00 0.00 34.83 36.52 3a6p s MET 82 CO -0.01 0.19 1.09 -1.54 -0.01 0.00 0.00 175.02 174.74 3a6p s SER 83 N -1.12 5.37 0.26 3.03 1.04 -1.26 -4.93 113.70 116.09 3a6p s SER 83 Ca -0.00 1.91 -0.01 0.00 0.48 0.00 0.00 55.95 58.33 3a6p s SER 83 Cb -0.08 -2.54 0.50 0.00 0.10 0.00 0.00 66.02 64.01 3a6p s SER 83 CO 0.01 -1.45 1.78 -0.09 0.98 0.00 0.00 173.24 174.47 3a6p h ARG 84 N 0.14 0.69 -0.49 4.02 1.12 -2.00 -2.21 114.38 115.66 3a6p h ARG 84 Ca -0.47 -0.04 -0.08 0.00 -1.11 0.00 0.00 59.98 58.28 3a6p h ARG 84 Cb 1.23 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 31.02 3a6p h ARG 84 CO 0.55 0.46 -0.02 -0.07 -3.11 0.00 0.00 179.97 177.78 3a6p h LEU 85 N 0.71 0.87 -0.27 3.80 3.38 -2.00 -0.99 115.31 120.81 3a6p h LEU 85 Ca 0.45 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3a6p h LEU 85 Cb 0.57 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3a6p h LEU 85 CO -0.32 0.97 0.10 -0.33 0.09 0.00 0.00 178.44 178.95 3a6p h GLU 86 N 0.74 0.22 -0.65 1.13 5.08 -1.83 -1.68 114.58 117.59 3a6p h GLU 86 Ca 0.14 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3a6p h GLU 86 Cb 0.54 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 3a6p h GLU 86 CO 0.03 0.14 0.38 0.87 -1.00 0.00 0.00 179.01 179.43 3a6p h LYS 87 N 0.22 0.71 0.00 2.33 1.57 -1.24 -1.66 116.57 118.51 3a6p h LYS 87 Ca 0.12 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3a6p h LYS 87 Cb 0.08 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3a6p h LYS 87 CO -0.11 0.47 -0.13 0.28 -0.57 0.00 0.00 179.45 179.39 3a6p h VAL 88 N 0.73 0.47 0.00 0.50 2.07 -0.38 -0.09 116.25 119.54 3a6p h VAL 88 Ca 0.27 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3a6p h VAL 88 Cb 0.09 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3a6p h VAL 88 CO -0.14 0.12 -0.00 0.22 0.02 0.00 0.00 177.57 177.80 3a6p h TYR 89 N 0.00 0.00 -0.60 1.57 3.20 -0.90 -1.83 116.97 118.41 3a6p h TYR 89 Ca -0.00 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 3a6p h TYR 89 Cb 0.44 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.59 3a6p h TYR 89 CO 0.00 0.55 -0.26 1.25 -1.64 0.00 0.00 178.16 178.05 3a6p h LEU 90 N -1.00 -0.92 -0.22 2.82 5.85 -1.21 -0.67 115.31 119.96 3a6p h LEU 90 Ca -0.00 0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.99 3a6p h LEU 90 Cb 0.55 0.50 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 3a6p h LEU 90 CO -0.00 -0.27 -0.19 0.50 -0.34 0.00 0.00 178.44 178.14 3a6p h LYS 91 N -0.11 -0.19 -0.48 1.25 3.64 -1.07 -1.96 116.57 117.65 3a6p h LYS 91 Ca 0.26 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 3a6p h LYS 91 Cb 0.52 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3a6p h LYS 91 CO -0.67 -0.12 0.06 -0.91 -2.27 0.00 0.00 179.45 175.54 3a6p h ASN 92 N -0.19 0.71 -0.56 4.20 2.35 -0.81 -0.64 115.58 120.64 3a6p h ASN 92 Ca 0.13 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3a6p h ASN 92 Cb 0.39 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3a6p h ASN 92 CO -0.34 0.74 0.35 0.28 -1.65 0.00 0.00 177.43 176.81 3a6p h SER 93 N 0.72 0.67 -0.34 5.81 0.02 -0.99 0.27 113.55 119.70 3a6p h SER 93 Ca 0.15 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 3a6p h SER 93 Cb 0.35 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3a6p h SER 93 CO 0.01 0.52 -0.29 0.58 -1.14 0.00 0.00 176.83 176.51 3a6p h VAL 94 N 0.76 1.27 -0.33 2.27 2.07 -0.62 0.12 116.25 121.79 3a6p h VAL 94 Ca 0.20 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.21 3a6p h VAL 94 Cb -0.03 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3a6p h VAL 94 CO -0.04 0.48 -0.10 0.24 0.02 0.00 0.00 177.57 178.17 3a6p h MET 95 N 0.73 0.56 -0.62 1.57 2.07 -1.00 -0.76 114.93 117.48 3a6p h MET 95 Ca 0.08 -0.16 -0.05 0.00 -2.07 0.00 0.00 59.70 57.50 3a6p h MET 95 Cb 0.84 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 30.48 3a6p h MET 95 CO 0.07 0.66 0.18 0.93 1.07 0.00 0.00 176.91 179.82 3a6p h GLU 96 N 0.52 0.94 -0.68 1.72 4.39 0.31 -2.68 114.58 119.10 3a6p h GLU 96 Ca 0.10 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.63 3a6p h GLU 96 Cb 0.49 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 3a6p h GLU 96 CO 0.03 0.82 0.45 -0.07 -1.16 0.00 0.00 179.01 179.08 3a6p h LEU 97 N 0.91 0.71 -0.64 1.33 3.38 0.73 -0.03 115.31 121.70 3a6p h LEU 97 Ca 0.20 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 3a6p h LEU 97 Cb 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3a6p h LEU 97 CO -0.01 0.50 -0.66 0.40 0.09 0.00 0.00 178.44 178.76 3a6p h ILE 98 N 0.83 1.44 -0.29 1.22 2.04 -1.18 -0.96 117.51 120.62 3a6p h ILE 98 Ca 0.27 -2.19 -0.06 0.00 1.00 0.00 0.00 64.86 63.88 3a6p h ILE 98 Cb 0.03 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3a6p h ILE 98 CO -0.07 0.63 -0.06 0.00 0.00 0.00 0.00 178.15 178.66 3a6p h ALA 99 N 1.25 0.40 0.00 1.87 0.00 -0.75 -3.43 119.26 118.60 3a6p h ALA 99 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3a6p h ALA 99 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3a6p h ALA 99 CO 0.09 0.20 0.00 0.27 0.00 0.00 0.00 179.25 179.81 3a6p n ASN 100 N -4.51 0.00 -1.62 0.00 0.23 -0.80 -4.97 115.26 103.58 3a6p n ASN 100 Ca -0.03 -0.44 0.02 0.00 -0.53 0.00 0.00 54.58 53.60 3a6p n ASN 100 Cb 0.30 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.29 3a6p n ASN 100 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3a6p n GLY 101 N 0.00 2.81 3.16 4.83 0.00 -0.37 -4.94 105.19 110.68 3a6p n GLY 101 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 3a6p n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a6p s THR 102 N -2.37 0.71 0.86 2.61 -4.23 -1.20 -4.57 115.64 107.46 3a6p s THR 102 Ca 0.42 -1.77 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 3a6p s THR 102 Cb 0.33 -1.47 0.11 0.00 1.34 0.00 0.00 72.50 72.80 3a6p s THR 102 CO 0.12 -0.75 1.10 -0.76 -0.54 0.00 0.00 174.62 173.78 3a6p s LEU 103 N -2.74 2.67 -0.74 4.79 1.43 -1.26 -4.90 118.68 117.93 3a6p s LEU 103 Ca 0.08 1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.81 3a6p s LEU 103 Cb 0.02 -4.32 0.14 0.00 0.03 0.00 0.00 46.19 42.06 3a6p s LEU 103 CO -0.03 -2.57 0.84 0.20 0.23 0.00 0.00 176.35 175.02 3a6p s ASN 104 N -3.18 6.44 0.00 2.29 0.01 -1.23 -4.76 114.94 114.52 3a6p s ASN 104 Ca 0.63 -1.89 0.00 0.00 -0.71 0.00 0.00 52.86 50.89 3a6p s ASN 104 Cb -0.19 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.16 3a6p s ASN 104 CO 0.57 -0.98 0.00 -0.38 -1.51 0.00 0.00 177.10 174.80 3a6p n ILE 105 N 5.17 0.00 0.09 0.60 5.41 -1.26 -3.06 119.36 126.30 3a6p n ILE 105 Ca 0.05 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.67 3a6p n ILE 105 Cb 0.45 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.25 3a6p n ILE 105 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3a6p h LEU 106 N 0.00 0.29 -9.94 1.39 3.38 -1.96 -3.40 115.31 105.07 3a6p h LEU 106 Ca 0.00 -0.32 -0.53 0.00 0.09 0.00 0.00 57.88 57.12 3a6p h LEU 106 Cb 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3a6p h LEU 106 CO 0.00 1.25 -0.05 -1.61 0.09 0.00 0.00 178.44 178.12 3a6p s GLU 107 N -2.67 3.92 0.00 1.13 8.01 -1.17 -4.96 118.70 122.96 3a6p s GLU 107 Ca -0.03 0.45 0.00 0.00 0.01 0.00 0.00 54.97 55.40 3a6p s GLU 107 Cb 0.08 -2.70 0.00 0.00 -4.31 0.00 0.00 34.13 27.20 3a6p s GLU 107 CO 0.86 0.33 0.00 -1.91 0.01 0.00 0.00 175.26 174.56 3a6p n GLU 108 N 0.13 0.00 -1.94 1.61 4.07 -1.26 -3.49 120.64 119.76 3a6p n GLU 108 Ca -0.01 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 3a6p n GLU 108 Cb 0.52 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.90 3a6p n GLU 108 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3a6p s GLU 109 N -3.20 4.14 0.40 5.31 0.41 -1.26 -4.87 118.70 119.63 3a6p s GLU 109 Ca 0.00 2.39 0.18 0.00 -0.41 0.00 0.00 54.97 57.12 3a6p s GLU 109 Cb 0.00 -2.95 1.08 0.00 -1.78 0.00 0.00 34.13 30.48 3a6p s GLU 109 CO 0.00 -0.43 1.78 -0.97 -0.49 0.00 0.00 175.26 175.15 3a6p h ASN 110 N 3.04 0.46 0.86 -0.19 -1.24 -1.98 -1.24 115.58 115.28 3a6p h ASN 110 Ca -0.50 0.08 -0.00 0.00 0.71 0.00 0.00 56.30 56.58 3a6p h ASN 110 Cb 1.24 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.29 3a6p h ASN 110 CO 0.64 0.11 -0.02 1.12 -1.29 0.00 0.00 177.43 177.99 3a6p h HIS 111 N 0.42 0.00 0.25 0.67 2.07 -2.00 -2.36 115.15 114.19 3a6p h HIS 111 Ca 0.58 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.76 3a6p h HIS 111 Cb 1.43 0.00 0.04 0.00 2.57 0.00 0.00 27.41 31.45 3a6p h HIS 111 CO -0.00 0.02 -1.49 0.82 -3.07 0.00 0.00 177.93 174.21 3a6p h ILE 112 N 0.00 1.26 -0.87 6.12 1.08 -1.58 -2.07 117.51 121.44 3a6p h ILE 112 Ca -0.00 -2.68 0.04 0.00 -0.39 0.00 0.00 64.86 61.83 3a6p h ILE 112 Cb 0.46 3.03 -0.05 0.00 -3.07 0.00 0.00 36.82 37.19 3a6p h ILE 112 CO 0.00 0.81 0.57 0.11 -0.69 0.00 0.00 178.15 178.96 3a6p h LYS 113 N 0.13 1.05 0.39 2.37 1.57 -1.47 0.15 116.57 120.76 3a6p h LYS 113 Ca -0.26 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 3a6p h LYS 113 Cb 2.15 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 34.23 3a6p h LYS 113 CO 0.27 0.70 -0.19 0.22 -0.57 0.00 0.00 179.45 179.87 3a6p h ASP 114 N 1.08 -0.45 -0.64 0.86 3.58 -1.37 -1.27 116.42 118.21 3a6p h ASP 114 Ca 0.35 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.78 3a6p h ASP 114 Cb 0.03 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 3a6p h ASP 114 CO -0.10 -0.32 0.26 0.00 -2.88 0.00 0.00 179.24 176.19 3a6p h ALA 115 N 0.09 0.83 -0.20 -0.78 0.00 -0.57 0.40 119.26 119.03 3a6p h ALA 115 Ca -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3a6p h ALA 115 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3a6p h ALA 115 CO 0.08 0.44 0.00 1.25 0.00 0.00 0.00 179.25 181.03 3a6p h LEU 116 N 0.89 0.34 -0.10 0.00 7.12 -0.77 -2.82 115.31 119.98 3a6p h LEU 116 Ca 0.21 -0.31 0.04 0.00 0.13 0.00 0.00 57.88 57.96 3a6p h LEU 116 Cb 0.20 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.19 3a6p h LEU 116 CO -0.02 0.57 -0.22 -1.28 -0.13 0.00 0.00 178.44 177.36 3a6p h SER 117 N 0.11 -0.66 -0.77 1.25 0.87 -0.81 -2.18 113.55 111.35 3a6p h SER 117 Ca 0.06 0.11 0.16 0.00 -1.23 0.00 0.00 61.79 60.89 3a6p h SER 117 Cb 0.39 0.29 -0.11 0.00 -0.44 0.00 0.00 62.40 62.54 3a6p h SER 117 CO 0.01 -0.27 0.26 0.03 -0.53 0.00 0.00 176.83 176.33 3a6p h ARG 118 N -0.29 0.34 -0.17 2.24 3.08 -0.09 -1.65 114.38 117.84 3a6p h ARG 118 Ca 0.09 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3a6p h ARG 118 Cb 0.42 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3a6p h ARG 118 CO -0.27 0.23 0.07 0.82 -1.07 0.00 0.00 179.97 179.74 3a6p h ILE 119 N 0.35 0.97 0.31 2.04 2.04 -1.15 -1.40 117.51 120.67 3a6p h ILE 119 Ca 0.44 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 66.24 3a6p h ILE 119 Cb 0.74 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3a6p h ILE 119 CO -0.48 0.03 -0.22 0.58 0.00 0.00 0.00 178.15 178.05 3a6p h VAL 120 N 0.15 0.52 -0.70 1.67 2.07 -1.03 -1.33 116.25 117.60 3a6p h VAL 120 Ca 0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.73 3a6p h VAL 120 Cb 0.03 0.52 -0.10 0.00 -1.52 0.00 0.00 31.29 30.23 3a6p h VAL 120 CO -0.06 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.32 3a6p h VAL 121 N -0.53 0.61 -0.79 2.57 2.07 -1.24 0.17 116.25 119.11 3a6p h VAL 121 Ca -0.02 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.45 3a6p h VAL 121 Cb 0.46 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 3a6p h VAL 121 CO 0.00 0.06 0.46 -0.08 0.02 0.00 0.00 177.57 178.03 3a6p h GLU 122 N 0.34 0.80 -0.09 1.57 4.57 -0.81 -0.11 114.58 120.85 3a6p h GLU 122 Ca 0.39 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.43 3a6p h GLU 122 Cb 0.60 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3a6p h GLU 122 CO -0.43 0.53 -0.32 0.52 -1.18 0.00 0.00 179.01 178.13 3a6p h MET 123 N 0.82 0.17 -0.32 1.92 2.86 0.16 -2.20 114.93 118.34 3a6p h MET 123 Ca 0.36 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.87 3a6p h MET 123 Cb 0.23 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3a6p h MET 123 CO -0.20 0.48 -0.06 0.82 1.06 0.00 0.00 176.91 179.01 3a6p h ILE 124 N 0.15 1.28 0.00 -1.22 2.04 0.92 -2.61 117.51 118.07 3a6p h ILE 124 Ca 0.02 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 3a6p h ILE 124 Cb 0.65 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3a6p h ILE 124 CO 0.05 0.35 -0.15 0.11 0.00 0.00 0.00 178.15 178.51 3a6p h LYS 125 N 0.39 0.00 -0.11 2.37 1.57 -1.12 -0.54 116.57 119.13 3a6p h LYS 125 Ca 0.08 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 3a6p h LYS 125 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3a6p h LYS 125 CO 0.03 0.15 -0.53 0.00 -0.57 0.00 0.00 179.45 178.52 3a6p h ARG 126 N 0.00 0.30 0.00 3.15 2.47 -1.02 -3.43 114.38 115.85 3a6p h ARG 126 Ca -0.00 -0.18 -0.17 0.00 -1.26 0.00 0.00 59.98 58.36 3a6p h ARG 126 Cb 0.45 0.02 -0.13 0.00 -1.65 0.00 0.00 29.97 28.66 3a6p h ARG 126 CO 0.02 0.76 -0.17 -0.85 0.56 0.00 0.00 179.97 180.30 3a6p n GLU 127 N -3.93 0.66 -0.08 0.04 0.28 -1.00 -5.05 120.64 111.56 3a6p n GLU 127 Ca -0.02 -1.35 -0.14 0.00 -0.16 0.00 0.00 57.16 55.49 3a6p n GLU 127 Cb 0.57 -0.41 -0.09 0.00 1.43 0.00 0.00 31.44 32.94 3a6p n GLU 127 CO 0.00 0.00 0.00 2.35 -0.16 0.00 0.00 177.13 179.32 3a6p h TRP 128 N 2.25 0.00 0.14 -1.84 7.01 -1.34 -2.49 115.95 119.69 3a6p h TRP 128 Ca -0.28 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.71 3a6p h TRP 128 Cb 1.20 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 3a6p h TRP 128 CO 0.08 0.88 -0.07 -1.00 -2.79 0.00 0.00 178.44 175.55 3a6p h PRO 129 N -1.00 -0.19 0.00 2.65 0.13 -1.88 -3.28 132.00 128.43 3a6p h PRO 129 Ca -0.14 0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.85 3a6p h PRO 129 Cb 0.90 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 3a6p h PRO 129 CO -0.08 0.14 -1.82 0.00 -0.23 0.00 0.00 178.00 176.01 3a6p n GLN 130 N -5.03 0.65 0.00 0.86 0.00 -1.26 -3.48 117.38 109.12 3a6p n GLN 130 Ca -0.09 0.02 0.08 0.00 0.00 0.00 0.00 57.00 57.01 3a6p n GLN 130 Cb 0.22 -1.64 0.04 0.00 0.00 0.00 0.00 30.24 28.86 3a6p n GLN 130 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3a6p n HIS 131 N -2.64 0.00 -2.77 2.61 8.25 -1.24 -4.61 115.22 114.83 3a6p n HIS 131 Ca -0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.29 3a6p n HIS 131 Cb 0.81 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.97 3a6p n HIS 131 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 3a6p n TRP 132 N 0.52 1.04 -0.25 4.41 -0.00 -0.94 -4.98 117.44 117.25 3a6p n TRP 132 Ca 0.08 -2.35 0.08 0.00 -0.00 0.00 0.00 57.50 55.31 3a6p n TRP 132 Cb 0.38 -0.19 0.34 0.00 -0.00 0.00 0.00 31.31 31.84 3a6p n TRP 132 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3a6p h PRO 133 N 2.69 0.76 -0.87 5.87 0.13 -1.67 -2.35 132.00 136.56 3a6p h PRO 133 Ca -0.14 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3a6p h PRO 133 Cb 1.24 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3a6p h PRO 133 CO 0.28 0.51 0.00 -0.40 -0.23 0.00 0.00 178.00 178.16 3a6p n ASP 134 N -4.52 2.56 0.20 1.44 3.85 -1.26 -4.53 116.55 114.29 3a6p n ASP 134 Ca 0.14 -2.31 -0.10 0.00 -0.71 0.00 0.00 54.79 51.81 3a6p n ASP 134 Cb 0.33 -0.56 -0.05 0.00 -1.35 0.00 0.00 41.12 39.48 3a6p n ASP 134 CO 0.00 0.00 0.00 -0.03 -1.01 0.00 0.00 177.20 176.16 3a6p h MET 135 N 1.29 -0.57 -1.47 0.11 4.05 -1.78 0.30 114.93 116.86 3a6p h MET 135 Ca 0.00 0.04 0.49 0.00 -0.28 0.00 0.00 59.70 59.95 3a6p h MET 135 Cb 0.99 0.13 -0.13 0.00 -0.80 0.00 0.00 31.60 31.79 3a6p h MET 135 CO 0.16 -0.38 0.97 -0.07 0.23 0.00 0.00 176.91 177.82 3a6p h LEU 136 N -0.59 0.17 0.14 3.39 3.38 -1.86 -0.44 115.31 119.49 3a6p h LEU 136 Ca -0.05 0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 3a6p h LEU 136 Cb 0.49 0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.39 3a6p h LEU 136 CO 0.02 -0.21 -0.83 0.40 0.09 0.00 0.00 178.44 177.91 3a6p h ILE 137 N 0.01 1.50 -0.55 1.22 2.04 -1.52 -2.67 117.51 117.55 3a6p h ILE 137 Ca 0.88 -2.53 0.11 0.00 1.00 0.00 0.00 64.86 64.32 3a6p h ILE 137 Cb 2.96 3.18 -0.11 0.00 -0.74 0.00 0.00 36.82 42.11 3a6p h ILE 137 CO -0.39 0.72 -0.18 -0.08 0.00 0.00 0.00 178.15 178.22 3a6p h GLU 138 N -0.34 -0.05 -0.27 2.37 4.57 0.21 0.73 114.58 121.80 3a6p h GLU 138 Ca -0.14 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.97 3a6p h GLU 138 Cb 1.65 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.24 3a6p h GLU 138 CO 0.16 -0.03 -0.14 -0.07 -1.18 0.00 0.00 179.01 177.74 3a6p h LEU 139 N -0.05 0.44 -0.30 1.64 3.38 -1.19 0.55 115.31 119.78 3a6p h LEU 139 Ca 0.26 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 3a6p h LEU 139 Cb 0.45 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3a6p h LEU 139 CO -0.59 0.62 -0.33 -0.78 0.09 0.00 0.00 178.44 177.45 3a6p h ASP 140 N 0.42 0.81 0.24 -0.43 3.58 -0.80 0.04 116.42 120.28 3a6p h ASP 140 Ca 0.08 -0.48 -0.00 0.00 0.42 0.00 0.00 57.03 57.05 3a6p h ASP 140 Cb 0.50 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 3a6p h ASP 140 CO 0.03 1.12 -0.20 0.74 -2.88 0.00 0.00 179.24 178.06 3a6p h THR 141 N 0.51 0.58 -0.92 2.25 2.02 0.74 -2.82 112.91 115.27 3a6p h THR 141 Ca 0.04 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.32 3a6p h THR 141 Cb 0.91 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 3a6p h THR 141 CO 0.08 0.00 0.59 -0.07 0.37 0.00 0.00 175.52 176.49 3a6p h LEU 142 N -0.45 0.84 -1.20 2.58 3.38 -0.78 -2.56 115.31 117.12 3a6p h LEU 142 Ca -0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3a6p h LEU 142 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3a6p h LEU 142 CO -0.02 0.49 -0.24 -1.28 0.09 0.00 0.00 178.44 177.48 3a6p h SER 143 N 0.93 0.00 1.11 -0.43 0.87 -0.86 -2.40 113.55 112.78 3a6p h SER 143 Ca 0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 3a6p h SER 143 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3a6p h SER 143 CO -0.19 0.24 0.00 0.11 -0.53 0.00 0.00 176.83 176.46 3a6p h LYS 144 N 0.00 0.00 0.00 2.24 1.57 -1.20 -3.19 116.57 115.99 3a6p h LYS 144 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a6p h LYS 144 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3a6p h LYS 144 CO 0.03 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.95 3a6p n GLN 145 N -2.80 0.28 0.00 3.15 6.02 -0.90 -4.97 117.38 118.15 3a6p n GLN 145 Ca 0.02 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3a6p n GLN 145 Cb 0.33 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.09 3a6p n GLN 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a6p n GLY 146 N -0.08 3.42 0.24 1.08 0.00 -1.20 -4.91 105.19 103.73 3a6p n GLY 146 Ca 0.08 -1.70 -0.02 0.00 0.00 0.00 0.00 46.02 44.38 3a6p n GLY 146 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3a6p h GLU 147 N 0.00 0.44 0.00 1.61 9.09 -1.93 -2.00 114.58 121.78 3a6p h GLU 147 Ca 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 59.36 59.25 3a6p h GLU 147 Cb 0.00 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 27.07 3a6p h GLU 147 CO 0.00 0.64 -0.05 1.15 0.05 0.00 0.00 179.01 180.80 3a6p h THR 148 N 0.39 0.86 0.08 -1.06 2.02 -1.95 -1.31 112.91 111.94 3a6p h THR 148 Ca 0.06 -0.18 -0.32 0.00 0.77 0.00 0.00 66.41 66.75 3a6p h THR 148 Cb 0.61 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3a6p h THR 148 CO 0.04 0.05 -1.70 1.56 0.37 0.00 0.00 175.52 175.84 3a6p h GLN 149 N 0.00 0.17 -0.04 6.66 7.50 -1.76 -3.08 115.11 124.55 3a6p h GLN 149 Ca -0.00 -0.29 -0.12 0.00 0.50 0.00 0.00 58.65 58.74 3a6p h GLN 149 Cb 0.10 0.11 0.01 0.00 0.05 0.00 0.00 27.48 27.74 3a6p h GLN 149 CO 0.01 0.94 -0.43 1.15 -1.50 0.00 0.00 178.83 179.00 3a6p h THR 150 N 0.05 1.43 -0.52 -0.54 2.02 -0.68 -1.11 112.91 113.56 3a6p h THR 150 Ca -0.30 -1.90 0.09 0.00 0.77 0.00 0.00 66.41 65.08 3a6p h THR 150 Cb 2.01 2.47 -0.08 0.00 -1.74 0.00 0.00 68.15 70.81 3a6p h THR 150 CO 0.11 0.55 0.08 -0.08 0.37 0.00 0.00 175.52 176.55 3a6p h GLU 151 N -0.15 0.20 -0.90 6.66 4.81 -1.42 -1.88 114.58 121.89 3a6p h GLU 151 Ca -0.04 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3a6p h GLU 151 Cb 1.12 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.39 3a6p h GLU 151 CO 0.09 0.13 0.58 -0.07 -0.73 0.00 0.00 179.01 179.01 3a6p h LEU 152 N 0.21 0.84 -0.75 1.64 3.38 -1.36 -1.77 115.31 117.50 3a6p h LEU 152 Ca 0.26 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 3a6p h LEU 152 Cb 0.37 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3a6p h LEU 152 CO -0.37 0.50 -0.01 0.58 0.09 0.00 0.00 178.44 179.24 3a6p h VAL 153 N 0.93 1.26 -0.07 1.22 2.07 -0.44 -2.40 116.25 118.82 3a6p h VAL 153 Ca 0.41 -1.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 3a6p h VAL 153 Cb 0.35 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3a6p h VAL 153 CO -0.17 0.40 -0.29 0.24 0.02 0.00 0.00 177.57 177.76 3a6p h MET 154 N 0.86 0.13 -0.09 1.57 2.86 -0.77 0.12 114.93 119.61 3a6p h MET 154 Ca 0.16 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 3a6p h MET 154 Cb 0.53 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3a6p h MET 154 CO 0.03 0.41 -0.56 0.74 1.06 0.00 0.00 176.91 178.59 3a6p h PHE 155 N 0.12 0.34 0.01 -0.22 -1.00 -0.99 -2.72 116.94 112.48 3a6p h PHE 155 Ca 0.02 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 3a6p h PHE 155 Cb 0.58 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.08 3a6p h PHE 155 CO 0.01 0.77 -0.01 0.82 -1.61 0.00 0.00 178.31 178.29 3a6p h ILE 156 N 0.21 1.50 -0.11 -0.55 2.04 -0.81 -2.42 117.51 117.37 3a6p h ILE 156 Ca 0.00 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.92 3a6p h ILE 156 Cb 1.05 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.87 3a6p h ILE 156 CO 0.09 0.48 0.07 -0.07 0.00 0.00 0.00 178.15 178.72 3a6p h LEU 157 N -0.91 0.13 -0.06 1.44 3.38 -1.08 0.66 115.31 118.87 3a6p h LEU 157 Ca -0.00 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3a6p h LEU 157 Cb 0.79 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.52 3a6p h LEU 157 CO 0.00 0.10 -0.55 0.25 0.09 0.00 0.00 178.44 178.33 3a6p h LEU 158 N 0.15 0.58 -1.78 1.67 5.85 -1.55 -1.52 115.31 118.71 3a6p h LEU 158 Ca 0.04 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 58.06 3a6p h LEU 158 Cb -0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3a6p h LEU 158 CO -0.01 1.19 0.02 -0.09 -0.34 0.00 0.00 178.44 179.21 3a6p h ARG 159 N 0.03 0.16 0.04 1.25 2.43 -0.96 -0.38 114.38 116.95 3a6p h ARG 159 Ca -0.05 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3a6p h ARG 159 Cb 1.22 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.74 3a6p h ARG 159 CO 0.11 0.15 -0.38 1.25 -1.51 0.00 0.00 179.97 179.59 3a6p h LEU 160 N 0.16 0.26 -0.62 3.80 5.85 -0.85 -1.85 115.31 122.06 3a6p h LEU 160 Ca 0.04 -0.89 0.09 0.00 0.84 0.00 0.00 57.88 57.97 3a6p h LEU 160 Cb 0.07 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 3a6p h LEU 160 CO -0.00 1.12 0.26 0.00 -0.34 0.00 0.00 178.44 179.48 3a6p h ALA 161 N 0.14 0.82 -0.09 1.25 0.00 -1.01 -2.48 119.26 117.91 3a6p h ALA 161 Ca -0.06 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3a6p h ALA 161 Cb 1.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3a6p h ALA 161 CO 0.07 -0.16 -0.00 0.93 0.00 0.00 0.00 179.25 180.09 3a6p h GLU 162 N 0.45 0.03 0.00 0.00 5.08 -0.99 -2.97 114.58 116.18 3a6p h GLU 162 Ca 0.31 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 3a6p h GLU 162 Cb 0.36 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3a6p h GLU 162 CO -0.29 0.02 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.18 3a6p h ASP 163 N 0.03 0.00 0.00 1.42 3.32 -0.98 0.18 116.42 120.38 3a6p h ASP 163 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3a6p h ASP 163 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3a6p h ASP 163 CO -0.07 0.12 -0.67 0.55 -1.72 0.00 0.00 179.24 177.45 3a6p n VAL 164 N -3.28 0.00 0.03 -1.35 3.14 -0.96 -0.94 118.33 114.97 3a6p n VAL 164 Ca 0.00 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 3a6p n VAL 164 Cb 0.36 1.00 0.00 0.00 -1.06 0.00 0.00 33.84 34.14 3a6p n VAL 164 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3a6p n VAL 165 N -1.34 0.09 -0.03 1.55 0.31 -1.13 -4.47 118.33 113.31 3a6p n VAL 165 Ca 0.03 0.03 -0.20 0.00 -0.01 0.00 0.00 64.34 64.19 3a6p n VAL 165 Cb 0.22 -0.80 -0.13 0.00 -0.91 0.00 0.00 33.84 32.22 3a6p n VAL 165 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3a6p h THR 166 N 0.00 1.24 0.00 2.52 2.02 -1.41 -3.36 112.91 113.91 3a6p h THR 166 Ca 0.00 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.83 3a6p h THR 166 Cb 0.23 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 3a6p h THR 166 CO 0.00 0.59 -1.14 0.49 0.37 0.00 0.00 175.52 175.83 3a6p n PHE 167 N -4.23 0.44 -0.65 3.16 3.01 0.52 -4.97 117.46 114.74 3a6p n PHE 167 Ca -0.22 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3a6p n PHE 167 Cb 0.74 -0.60 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 3a6p n PHE 167 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3a6p n GLN 168 N -2.21 0.00 -3.35 -1.08 10.64 -1.01 -4.86 117.38 115.50 3a6p n GLN 168 Ca 0.01 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.86 3a6p n GLN 168 Cb 0.49 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.81 3a6p n GLN 168 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 3a6p n THR 169 N 0.30 3.06 -3.51 -0.39 -2.24 -0.11 -4.99 114.28 106.40 3a6p n THR 169 Ca 0.00 -5.38 -0.10 0.00 -2.27 0.00 0.00 64.05 56.31 3a6p n THR 169 Cb 0.00 -2.11 -0.02 0.00 -2.10 0.00 0.00 70.33 66.10 3a6p n THR 169 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a6p s LEU 170 N -2.48 -0.46 0.33 3.22 1.43 -1.26 -4.97 118.68 114.50 3a6p s LEU 170 Ca 0.37 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.08 3a6p s LEU 170 Cb 0.11 2.44 -0.11 0.00 0.03 0.00 0.00 46.19 48.66 3a6p s LEU 170 CO 0.01 -0.92 1.46 -2.16 0.23 0.00 0.00 176.35 174.97 3a6p s PRO 171 N -3.58 4.18 0.22 1.29 0.04 -1.26 -4.70 135.00 131.20 3a6p s PRO 171 Ca 0.04 2.46 0.02 0.00 0.04 0.00 0.00 61.00 63.56 3a6p s PRO 171 Cb -0.02 -3.02 0.53 0.00 0.04 0.00 0.00 34.50 32.04 3a6p s PRO 171 CO -0.09 -0.46 1.08 -2.30 0.04 0.00 0.00 177.00 175.27 3a6p n PRO 172 N 1.10 -0.05 0.03 0.56 -0.02 -1.26 -0.88 135.00 134.47 3a6p n PRO 172 Ca 0.03 1.03 -0.13 0.00 -2.02 0.00 0.00 63.50 62.41 3a6p n PRO 172 Cb 0.40 -1.64 -0.09 0.00 -0.02 0.00 0.00 33.50 32.14 3a6p n PRO 172 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3a6p h GLN 173 N 0.00 -0.06 -0.21 -0.52 4.20 -2.01 -1.81 115.11 114.70 3a6p h GLN 173 Ca 0.42 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.03 3a6p h GLN 173 Cb 0.87 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 3a6p h GLN 173 CO -0.65 0.28 -0.30 -0.09 -0.67 0.00 0.00 178.83 177.40 3a6p h ARG 174 N -0.41 0.43 -0.09 1.46 9.65 -1.54 -3.02 114.38 120.87 3a6p h ARG 174 Ca -0.01 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 3a6p h ARG 174 Cb 0.37 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.93 3a6p h ARG 174 CO 0.01 0.69 0.05 -0.09 2.80 0.00 0.00 179.97 183.43 3a6p h ARG 175 N 0.37 0.11 -0.73 0.20 2.43 -0.91 -3.18 114.38 112.67 3a6p h ARG 175 Ca 0.05 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3a6p h ARG 175 Cb 0.72 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 3a6p h ARG 175 CO 0.06 0.10 0.44 0.00 -1.51 0.00 0.00 179.97 179.06 3a6p h ARG 176 N 0.09 0.80 0.00 0.20 3.08 -1.19 -2.38 114.38 114.98 3a6p h ARG 176 Ca 0.03 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3a6p h ARG 176 Cb 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3a6p h ARG 176 CO -0.01 0.53 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.73 3a6p h ASP 177 N 0.82 0.00 0.40 7.04 3.45 -1.53 -1.88 116.42 124.72 3a6p h ASP 177 Ca 0.32 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.46 3a6p h ASP 177 Cb 0.13 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 3a6p h ASP 177 CO -0.16 0.25 -1.60 0.40 -1.57 0.00 0.00 179.24 176.56 3a6p h ILE 178 N 0.00 1.07 -0.77 0.35 2.04 -1.45 -2.35 117.51 116.40 3a6p h ILE 178 Ca -0.00 -2.72 -0.01 0.00 1.00 0.00 0.00 64.86 63.12 3a6p h ILE 178 Cb 0.66 2.72 -0.04 0.00 -0.74 0.00 0.00 36.82 39.42 3a6p h ILE 178 CO 0.03 0.81 0.42 -0.61 0.00 0.00 0.00 178.15 178.80 3a6p h GLN 179 N 0.07 1.06 -0.28 2.37 4.15 -1.16 0.39 115.11 121.71 3a6p h GLN 179 Ca -0.27 -0.12 -0.15 0.00 0.77 0.00 0.00 58.65 58.88 3a6p h GLN 179 Cb 2.03 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 29.50 3a6p h GLN 179 CO 0.15 0.78 -0.43 1.96 -1.93 0.00 0.00 178.83 179.36 3a6p h GLN 180 N 1.07 0.69 -0.49 1.69 4.20 -1.38 -1.50 115.11 119.39 3a6p h GLN 180 Ca 0.27 -0.37 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3a6p h GLN 180 Cb 0.03 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3a6p h GLN 180 CO -0.04 0.98 0.02 1.15 -0.67 0.00 0.00 178.83 180.27 3a6p h THR 181 N 0.56 1.26 -0.49 -0.54 2.02 -1.05 0.36 112.91 115.03 3a6p h THR 181 Ca 0.04 -1.03 0.06 0.00 0.77 0.00 0.00 66.41 66.25 3a6p h THR 181 Cb 0.97 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 3a6p h THR 181 CO 0.09 0.36 0.18 -0.07 0.37 0.00 0.00 175.52 176.45 3a6p h LEU 182 N 0.71 0.18 -0.02 2.58 3.38 0.00 -1.35 115.31 120.80 3a6p h LEU 182 Ca 0.14 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3a6p h LEU 182 Cb 0.48 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3a6p h LEU 182 CO 0.02 0.13 -0.01 0.74 0.09 0.00 0.00 178.44 179.42 3a6p h THR 183 N 0.35 1.33 -1.00 0.22 2.02 -0.96 -0.11 112.91 114.77 3a6p h THR 183 Ca 0.23 -1.00 0.30 0.00 0.77 0.00 0.00 66.41 66.71 3a6p h THR 183 Cb 0.24 1.98 -0.14 0.00 -1.74 0.00 0.00 68.15 68.48 3a6p h THR 183 CO -0.23 0.26 0.57 1.56 0.37 0.00 0.00 175.52 178.05 3a6p h GLN 184 N -0.38 0.38 -0.65 6.66 4.20 -0.76 -0.54 115.11 124.03 3a6p h GLN 184 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3a6p h GLN 184 Cb 0.43 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3a6p h GLN 184 CO 0.00 0.25 0.00 0.09 -0.67 0.00 0.00 178.83 178.50 3a6p n ASN 185 N -5.01 3.63 0.18 1.46 3.02 -0.52 -4.58 115.26 113.43 3a6p n ASN 185 Ca 0.30 -2.07 0.04 0.00 -0.03 0.00 0.00 54.58 52.82 3a6p n ASN 185 Cb 0.91 -0.46 0.35 0.00 -0.61 0.00 0.00 39.78 39.98 3a6p n ASN 185 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3a6p h MET 186 N 3.78 0.00 -0.24 3.52 4.05 0.65 0.13 114.93 126.82 3a6p h MET 186 Ca 0.00 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 3a6p h MET 186 Cb 0.95 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 3a6p h MET 186 CO 0.04 0.40 -0.15 1.49 0.23 0.00 0.00 176.91 178.92 3a6p h GLU 187 N 0.00 0.53 0.41 0.39 4.81 -1.81 -1.13 114.58 117.78 3a6p h GLU 187 Ca -0.00 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3a6p h GLU 187 Cb 0.81 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3a6p h GLU 187 CO 0.05 0.81 -0.20 0.00 -0.73 0.00 0.00 179.01 178.94 3a6p h ARG 188 N 0.24 -0.54 0.01 1.92 2.47 -1.57 0.14 114.38 117.06 3a6p h ARG 188 Ca 0.05 0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 3a6p h ARG 188 Cb 0.66 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.08 3a6p h ARG 188 CO 0.04 -0.30 -0.14 0.82 0.56 0.00 0.00 179.97 180.96 3a6p h ILE 189 N -0.67 0.66 0.00 2.04 2.04 -0.89 0.15 117.51 120.84 3a6p h ILE 189 Ca -0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3a6p h ILE 189 Cb 0.49 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3a6p h ILE 189 CO 0.09 0.00 -0.11 0.15 0.00 0.00 0.00 178.15 178.28 3a6p h PHE 190 N -0.23 0.00 -0.04 1.37 3.57 -1.22 -1.49 116.94 118.90 3a6p h PHE 190 Ca 0.05 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.35 3a6p h PHE 190 Cb 0.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3a6p h PHE 190 CO -0.19 0.11 -0.80 1.03 -2.23 0.00 0.00 178.31 176.23 3a6p h SER 191 N 0.00 0.41 -0.56 0.41 0.87 0.12 -1.74 113.55 113.06 3a6p h SER 191 Ca -0.00 -0.30 -0.11 0.00 -1.23 0.00 0.00 61.79 60.16 3a6p h SER 191 Cb 0.52 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 3a6p h SER 191 CO 0.01 1.06 -0.06 0.15 -0.53 0.00 0.00 176.83 177.46 3a6p h PHE 192 N 0.21 1.15 -0.47 2.24 3.57 -0.17 -1.03 116.94 122.44 3a6p h PHE 192 Ca -0.04 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 3a6p h PHE 192 Cb 1.40 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 3a6p h PHE 192 CO 0.04 1.04 0.21 -0.07 -2.23 0.00 0.00 178.31 177.30 3a6p h LEU 193 N 0.94 0.63 0.20 0.59 3.38 -1.18 -1.86 115.31 117.99 3a6p h LEU 193 Ca 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3a6p h LEU 193 Cb 0.62 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3a6p h LEU 193 CO 0.04 0.60 -0.09 0.25 0.09 0.00 0.00 178.44 179.33 3a6p h LEU 194 N 0.61 -0.22 -0.60 1.67 5.85 -1.17 -1.82 115.31 119.62 3a6p h LEU 194 Ca 0.16 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 3a6p h LEU 194 Cb 0.15 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3a6p h LEU 194 CO -0.02 -0.11 -0.48 0.78 -0.34 0.00 0.00 178.44 178.28 3a6p h ASN 195 N -0.33 0.58 0.00 1.25 2.35 -1.11 -0.45 115.58 117.88 3a6p h ASN 195 Ca -0.03 -0.29 0.03 0.00 -0.55 0.00 0.00 56.30 55.47 3a6p h ASN 195 Cb 0.25 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.40 3a6p h ASN 195 CO 0.04 0.97 -0.43 0.74 -1.65 0.00 0.00 177.43 177.11 3a6p h THR 196 N 0.43 0.14 -0.58 2.81 2.02 -1.29 -1.31 112.91 115.13 3a6p h THR 196 Ca 0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.32 3a6p h THR 196 Cb 1.00 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.45 3a6p h THR 196 CO 0.09 0.00 0.03 0.25 0.37 0.00 0.00 175.52 176.27 3a6p h LEU 197 N -0.59 -0.18 0.01 2.58 5.85 -0.84 -0.41 115.31 121.74 3a6p h LEU 197 Ca 0.04 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3a6p h LEU 197 Cb 0.66 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3a6p h LEU 197 CO -0.32 -0.07 -0.01 -0.61 -0.34 0.00 0.00 178.44 177.09 3a6p h GLN 198 N 0.15 -0.02 -0.07 1.25 4.15 -0.58 -0.59 115.11 119.40 3a6p h GLN 198 Ca 0.30 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 3a6p h GLN 198 Cb 0.47 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 3a6p h GLN 198 CO -0.46 0.07 0.01 0.93 -1.93 0.00 0.00 178.83 177.45 3a6p h GLU 199 N -0.11 0.13 -0.60 1.69 5.08 -1.09 -2.06 114.58 117.62 3a6p h GLU 199 Ca -0.00 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3a6p h GLU 199 Cb 0.10 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3a6p h GLU 199 CO 0.00 0.37 0.36 -0.91 -1.00 0.00 0.00 179.01 177.83 3a6p h ASN 200 N -0.14 0.57 0.30 1.42 2.35 -1.02 -1.39 115.58 117.67 3a6p h ASN 200 Ca 0.02 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3a6p h ASN 200 Cb 0.31 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 3a6p h ASN 200 CO 0.00 0.39 -0.52 0.58 -1.65 0.00 0.00 177.43 176.24 3a6p h VAL 201 N 0.70 0.01 -0.73 2.81 2.07 -1.13 -2.12 116.25 117.85 3a6p h VAL 201 Ca 0.25 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.86 3a6p h VAL 201 Cb 0.06 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 29.73 3a6p h VAL 201 CO -0.12 0.00 -0.49 0.78 0.02 0.00 0.00 177.57 177.76 3a6p h ASN 202 N -0.88 -1.73 -0.78 0.57 -0.26 -0.82 0.13 115.58 111.82 3a6p h ASN 202 Ca -0.03 0.28 0.13 0.00 -0.56 0.00 0.00 56.30 56.12 3a6p h ASN 202 Cb 0.82 0.78 -0.09 0.00 -1.06 0.00 0.00 38.32 38.77 3a6p h ASN 202 CO -0.18 -0.31 0.36 0.11 -1.06 0.00 0.00 177.43 176.34 3a6p h LYS 203 N -0.16 0.52 0.00 0.81 1.57 -1.28 0.76 116.57 118.79 3a6p h LYS 203 Ca 0.18 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3a6p h LYS 203 Cb 0.53 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3a6p h LYS 203 CO -0.79 0.34 -0.02 -0.92 -0.57 0.00 0.00 179.45 177.49 3a6p h TYR 204 N 0.53 0.00 0.61 -1.35 3.20 -0.14 -3.17 116.97 116.65 3a6p h TYR 204 Ca 0.42 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.26 3a6p h TYR 204 Cb 0.59 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.86 3a6p h TYR 204 CO -0.13 0.02 -0.29 1.96 -1.64 0.00 0.00 178.16 178.08 3a6p h GLN 205 N 0.00 -0.78 0.00 1.82 1.08 0.26 -2.58 115.11 114.91 3a6p h GLN 205 Ca -0.00 0.05 -0.16 0.00 -1.45 0.00 0.00 58.65 57.10 3a6p h GLN 205 Cb 0.23 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 3a6p h GLN 205 CO 0.00 -0.52 -0.76 -0.56 -0.95 0.00 0.00 178.83 176.04 3a6p h GLN 206 N -1.09 0.00 0.00 1.46 3.07 -1.65 -3.32 115.11 113.59 3a6p h GLN 206 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 3a6p h GLN 206 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.18 3a6p h GLN 206 CO 0.14 0.73 -0.11 0.28 0.09 0.00 0.00 178.83 179.95 3a6p h VAL 207 N 0.00 0.00 0.00 1.86 2.07 -1.64 -3.39 116.25 115.15 3a6p h VAL 207 Ca -0.01 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3a6p h VAL 207 Cb 1.57 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3a6p h VAL 207 CO 0.09 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.85 3a6p n LYS 208 N -2.87 0.00 -3.12 1.57 4.81 -0.97 -3.28 118.16 114.30 3a6p n LYS 208 Ca 0.04 0.78 -0.44 0.00 -0.87 0.00 0.00 58.31 57.82 3a6p n LYS 208 Cb 0.51 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 34.15 3a6p n LYS 208 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3a6p n THR 209 N -2.41 4.72 -2.74 3.15 -2.24 -1.26 -4.57 114.28 108.93 3a6p n THR 209 Ca 0.00 -5.37 -0.09 0.00 -2.27 0.00 0.00 64.05 56.32 3a6p n THR 209 Cb 0.00 -2.42 0.07 0.00 -2.10 0.00 0.00 70.33 65.89 3a6p n THR 209 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3a6p n ASP 210 N 2.82 -0.63 0.00 3.42 2.03 -1.20 -5.08 116.55 117.91 3a6p n ASP 210 Ca 0.28 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.81 3a6p n ASP 210 Cb 0.38 0.49 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 3a6p n ASP 210 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3a6p n THR 211 N -0.20 0.00 0.99 5.18 -1.04 -1.26 -2.42 114.28 115.53 3a6p n THR 211 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3a6p n THR 211 Cb 0.80 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.31 3a6p n THR 211 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3a6p n SER 212 N 0.00 2.08 -2.77 8.00 7.64 -1.26 -3.79 113.62 123.52 3a6p n SER 212 Ca 0.00 -1.98 -0.02 0.00 1.01 0.00 0.00 58.87 57.88 3a6p n SER 212 Cb 0.00 -0.50 0.07 0.00 -1.01 0.00 0.00 64.21 62.78 3a6p n SER 212 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a6p n GLN 213 N 0.28 1.54 -0.21 1.43 6.02 -1.02 -4.98 117.38 120.44 3a6p n GLN 213 Ca 0.00 -2.78 -0.09 0.00 -0.01 0.00 0.00 57.00 54.12 3a6p n GLN 213 Cb 0.38 -0.94 0.02 0.00 1.02 0.00 0.00 30.24 30.72 3a6p n GLN 213 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3a6p h GLU 214 N 2.19 1.08 -0.44 -1.09 4.39 -1.86 -2.93 114.58 115.91 3a6p h GLU 214 Ca -0.23 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.09 3a6p h GLU 214 Cb 1.27 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 3a6p h GLU 214 CO 0.10 1.06 0.13 0.66 -1.16 0.00 0.00 179.01 179.80 3a6p h SER 215 N 0.98 0.60 0.69 1.42 4.64 -1.93 -1.27 113.55 118.67 3a6p h SER 215 Ca 0.17 -0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 61.14 3a6p h SER 215 Cb 0.59 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3a6p h SER 215 CO 0.04 0.58 -1.28 0.11 -0.87 0.00 0.00 176.83 175.40 3a6p h LYS 216 N 0.64 0.15 0.15 4.77 1.57 -1.97 -2.54 116.57 119.35 3a6p h LYS 216 Ca 0.15 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3a6p h LYS 216 Cb 0.20 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3a6p h LYS 216 CO -0.01 1.05 -0.07 0.00 -0.57 0.00 0.00 179.45 179.85 3a6p h ALA 217 N 0.73 -0.21 -0.08 3.86 0.00 -1.40 -1.35 119.26 120.82 3a6p h ALA 217 Ca -0.14 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3a6p h ALA 217 Cb 1.92 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 3a6p h ALA 217 CO 0.16 -0.58 0.09 0.37 0.00 0.00 0.00 179.25 179.29 3a6p h GLN 218 N -0.29 0.00 0.03 0.00 5.75 -1.30 -1.93 115.11 117.37 3a6p h GLN 218 Ca -0.02 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.30 3a6p h GLN 218 Cb 0.23 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 3a6p h GLN 218 CO 0.03 0.00 -0.97 0.00 -2.65 0.00 0.00 178.83 175.25 3a6p h ALA 219 N 1.89 0.17 -0.16 3.38 0.00 -1.14 -3.11 119.26 120.29 3a6p h ALA 219 Ca 0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 54.91 53.93 3a6p h ALA 219 Cb 0.22 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3a6p h ALA 219 CO -0.00 0.55 -0.01 -0.91 0.00 0.00 0.00 179.25 178.88 3a6p h ASN 220 N -0.81 0.21 0.03 0.00 2.35 -1.17 -0.25 115.58 115.94 3a6p h ASN 220 Ca -0.24 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3a6p h ASN 220 Cb 1.35 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.67 3a6p h ASN 220 CO -0.08 0.26 -0.01 0.00 -1.65 0.00 0.00 177.43 175.94 3a6p h ARG 222 N -0.06 0.00 0.00 0.00 2.47 -0.97 0.30 114.38 116.12 3a6p h ARG 222 Ca -0.00 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.52 3a6p h ARG 222 Cb 0.05 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.34 3a6p h ARG 222 CO 0.01 0.07 -0.96 0.28 0.56 0.00 0.00 179.97 179.94 3a6p h VAL 223 N 0.00 1.68 0.39 2.04 2.07 -1.43 -1.96 116.25 119.05 3a6p h VAL 223 Ca -0.00 -3.27 -0.02 0.00 0.82 0.00 0.00 66.70 64.23 3a6p h VAL 223 Cb 0.23 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3a6p h VAL 223 CO 0.01 0.93 -0.19 1.23 0.02 0.00 0.00 177.57 179.57 3a6p h GLY 224 N 2.85 -0.55 -0.05 2.17 0.00 -0.24 0.20 103.07 107.45 3a6p h GLY 224 Ca -0.01 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.59 3a6p h GLY 224 CO 0.12 -0.20 -0.32 -2.08 0.00 0.00 0.00 176.54 174.06 3a6p h VAL 225 N -0.71 0.25 -0.70 4.60 2.07 -1.50 0.32 116.25 120.59 3a6p h VAL 225 Ca -0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.61 3a6p h VAL 225 Cb 0.50 0.25 -0.11 0.00 -1.52 0.00 0.00 31.29 30.41 3a6p h VAL 225 CO 0.09 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.81 3a6p h ALA 226 N 0.64 0.86 -0.04 1.67 0.00 -0.97 -0.42 119.26 120.99 3a6p h ALA 226 Ca 0.14 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3a6p h ALA 226 Cb 0.54 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3a6p h ALA 226 CO -0.47 -0.35 0.02 0.00 0.00 0.00 0.00 179.25 178.45 3a6p h ALA 227 N 1.59 0.05 -0.26 0.00 0.00 0.27 0.24 119.26 121.15 3a6p h ALA 227 Ca 0.39 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.27 3a6p h ALA 227 Cb 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3a6p h ALA 227 CO -0.50 -0.40 0.18 -0.07 0.00 0.00 0.00 179.25 178.45 3a6p h LEU 228 N -0.04 0.20 0.02 0.00 3.38 -0.20 1.19 115.31 119.86 3a6p h LEU 228 Ca 0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3a6p h LEU 228 Cb 0.10 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3a6p h LEU 228 CO -0.00 0.14 -0.44 0.78 0.09 0.00 0.00 178.44 179.00 3a6p h ASN 229 N 0.23 0.36 1.06 -0.43 4.21 0.37 -2.15 115.58 119.24 3a6p h ASN 229 Ca 0.11 -0.81 -0.11 0.00 1.21 0.00 0.00 56.30 56.70 3a6p h ASN 229 Cb 0.15 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 3a6p h ASN 229 CO -0.02 1.12 -0.53 0.00 -1.29 0.00 0.00 177.43 176.71 3a6p h THR 230 N -0.36 1.05 -0.50 2.81 1.03 0.04 -2.75 112.91 114.23 3a6p h THR 230 Ca -0.06 -2.09 -0.12 0.00 -0.01 0.00 0.00 66.41 64.13 3a6p h THR 230 Cb 1.21 2.25 -0.02 0.00 -1.07 0.00 0.00 68.15 70.52 3a6p h THR 230 CO 0.09 0.52 -0.16 -0.07 -0.01 0.00 0.00 175.52 175.89 3a6p h LEU 231 N 0.00 0.99 -2.02 0.00 3.38 0.15 -1.88 115.31 115.92 3a6p h LEU 231 Ca -0.01 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.70 3a6p h LEU 231 Cb 1.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3a6p h LEU 231 CO 0.07 1.13 0.22 0.00 0.09 0.00 0.00 178.44 179.95 3a6p h ALA 232 N 0.95 2.24 0.00 1.53 0.00 -1.09 -0.39 119.26 122.51 3a6p h ALA 232 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3a6p h ALA 232 Cb 0.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3a6p h ALA 232 CO 0.06 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.34 3a6p n GLY 233 N -1.58 -0.37 0.00 0.00 0.00 -0.71 -3.69 105.19 98.84 3a6p n GLY 233 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3a6p n GLY 233 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a6p n TYR 234 N -1.36 0.00 0.29 1.61 4.02 -0.22 -4.76 117.16 116.74 3a6p n TYR 234 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.06 3a6p n TYR 234 Cb 0.00 0.00 0.89 0.00 -0.02 0.00 0.00 39.34 40.21 3a6p n TYR 234 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3a6p h ILE 235 N 0.00 0.29 0.00 -0.72 2.10 -1.47 -0.90 117.51 116.81 3a6p h ILE 235 Ca 0.00 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.63 3a6p h ILE 235 Cb 0.41 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.37 3a6p h ILE 235 CO 0.00 0.05 -1.45 -0.90 -1.08 0.00 0.00 178.15 174.77 3a6p n ASP 236 N -3.40 0.43 -0.02 2.19 5.75 -1.26 -4.48 116.55 115.76 3a6p n ASP 236 Ca -0.02 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 3a6p n ASP 236 Cb 0.18 1.28 -0.07 0.00 -1.03 0.00 0.00 41.12 41.48 3a6p n ASP 236 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 3a6p n TRP 237 N -2.19 0.00 -2.29 2.11 4.27 -0.55 -4.93 117.44 113.86 3a6p n TRP 237 Ca -0.01 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.29 3a6p n TRP 237 Cb 0.51 -0.31 -0.01 0.00 -1.36 0.00 0.00 31.31 30.14 3a6p n TRP 237 CO 0.00 0.00 0.00 0.14 -2.29 0.00 0.00 177.69 175.54 3a6p s VAL 238 N -2.42 4.68 0.33 -1.67 -7.23 -0.45 -5.01 120.40 108.63 3a6p s VAL 238 Ca -0.04 0.88 -0.28 0.00 -1.81 0.00 0.00 61.98 60.73 3a6p s VAL 238 Cb 0.04 -3.80 -0.13 0.00 0.56 0.00 0.00 36.38 33.06 3a6p s VAL 238 CO 0.36 -0.86 1.26 -0.24 -0.31 0.00 0.00 175.10 175.31 3a6p n SER 239 N -2.06 2.57 0.27 4.85 2.88 -1.26 -4.93 113.62 115.94 3a6p n SER 239 Ca 0.05 1.20 0.11 0.00 -1.33 0.00 0.00 58.87 58.90 3a6p n SER 239 Cb 0.54 -1.45 0.75 0.00 -0.75 0.00 0.00 64.21 63.30 3a6p n SER 239 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3a6p h MET 240 N 2.61 0.00 -0.89 -1.46 4.05 -1.95 -1.90 114.93 115.40 3a6p h MET 240 Ca -0.45 0.00 0.32 0.00 -0.28 0.00 0.00 59.70 59.29 3a6p h MET 240 Cb 1.29 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.99 3a6p h MET 240 CO 0.63 0.03 0.55 0.43 0.23 0.00 0.00 176.91 178.78 3a6p n SER 241 N -4.15 0.17 0.04 1.39 7.64 -1.26 -0.81 113.62 116.64 3a6p n SER 241 Ca -0.03 1.00 0.11 0.00 1.01 0.00 0.00 58.87 60.96 3a6p n SER 241 Cb 0.11 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 62.74 3a6p n SER 241 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3a6p n HIS 242 N -4.18 0.44 -0.00 1.43 -0.00 -0.72 0.11 115.22 112.30 3a6p n HIS 242 Ca 0.27 0.13 -0.17 0.00 -0.00 0.00 0.00 57.72 57.95 3a6p n HIS 242 Cb 1.03 -0.69 -0.13 0.00 -0.00 0.00 0.00 29.99 30.21 3a6p n HIS 242 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3a6p h ILE 243 N 0.00 1.57 0.00 1.59 2.04 -1.10 -3.15 117.51 118.46 3a6p h ILE 243 Ca 0.00 -2.25 -0.14 0.00 1.00 0.00 0.00 64.86 63.47 3a6p h ILE 243 Cb 0.97 3.03 -0.02 0.00 -0.74 0.00 0.00 36.82 40.06 3a6p h ILE 243 CO 0.00 0.62 -0.66 0.71 0.00 0.00 0.00 178.15 178.83 3a6p h THR 244 N -0.50 1.45 0.00 -0.27 1.35 -1.33 -3.37 112.91 110.23 3a6p h THR 244 Ca -0.07 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 3a6p h THR 244 Cb 1.27 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 3a6p h THR 244 CO 0.08 0.64 0.00 0.00 -0.25 0.00 0.00 175.52 176.00 3a6p n ALA 245 N -2.40 0.00 -3.20 6.62 0.00 0.12 -0.24 120.51 121.40 3a6p n ALA 245 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.97 3a6p n ALA 245 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 3a6p n ALA 245 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3a6p s GLU 246 N 0.00 3.75 -1.50 0.00 2.02 -1.26 -4.34 118.70 117.36 3a6p s GLU 246 Ca 0.00 -2.44 -0.18 0.00 0.02 0.00 0.00 54.97 52.37 3a6p s GLU 246 Cb 0.00 -4.62 0.18 0.00 0.10 0.00 0.00 34.13 29.79 3a6p s GLU 246 CO 0.00 -1.44 0.45 0.09 0.02 0.00 0.00 175.26 174.38 3a6p n ASN 247 N 4.50 -1.32 -2.84 -0.19 4.13 -1.25 -2.08 115.26 116.21 3a6p n ASN 247 Ca 0.20 -1.01 -0.14 0.00 1.68 0.00 0.00 54.58 55.31 3a6p n ASN 247 Cb 0.46 -1.29 0.07 0.00 -1.54 0.00 0.00 39.78 37.48 3a6p n ASN 247 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a6p h LYS 249 N -1.62 0.56 -0.45 0.00 1.57 -1.60 -2.20 116.57 112.83 3a6p h LYS 249 Ca -0.44 -0.32 0.05 0.00 -1.87 0.00 0.00 60.65 58.06 3a6p h LYS 249 Cb 1.26 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 3a6p h LYS 249 CO 0.39 0.92 0.19 1.25 -0.57 0.00 0.00 179.45 181.64 3a6p h LEU 250 N 0.45 0.24 -0.70 2.94 7.12 -1.87 -0.29 115.31 123.19 3a6p h LEU 250 Ca 0.02 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.04 3a6p h LEU 250 Cb 1.01 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.14 3a6p h LEU 250 CO 0.09 0.18 -0.16 -0.07 -0.13 0.00 0.00 178.44 178.35 3a6p h LEU 251 N 0.39 0.00 0.14 2.25 3.38 -1.71 -2.59 115.31 117.17 3a6p h LEU 251 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3a6p h LEU 251 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3a6p h LEU 251 CO -0.18 0.16 -0.07 -0.08 0.09 0.00 0.00 178.44 178.36 3a6p h GLU 252 N 0.00 -0.18 -0.75 1.13 4.57 -0.64 -2.96 114.58 115.74 3a6p h GLU 252 Ca -0.00 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3a6p h GLU 252 Cb 0.87 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.46 3a6p h GLU 252 CO 0.02 0.27 0.47 0.82 -1.18 0.00 0.00 179.01 179.41 3a6p h ILE 253 N -0.80 1.11 -0.08 2.32 2.04 -1.09 -0.54 117.51 120.47 3a6p h ILE 253 Ca -0.02 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3a6p h ILE 253 Cb 0.54 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3a6p h ILE 253 CO 0.03 0.17 0.07 -0.07 0.00 0.00 0.00 178.15 178.35 3a6p h LEU 254 N 0.93 0.00 0.06 1.44 3.38 -1.52 0.37 115.31 119.97 3a6p h LEU 254 Ca 0.30 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 3a6p h LEU 254 Cb 0.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.78 3a6p h LEU 254 CO -0.11 0.00 -0.75 0.00 0.09 0.00 0.00 178.44 177.67 3a6p h LEU 256 N -0.14 0.58 0.00 0.00 5.85 -0.48 -1.01 115.31 120.10 3a6p h LEU 256 Ca -0.11 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3a6p h LEU 256 Cb 1.50 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3a6p h LEU 256 CO 0.15 0.43 0.00 0.18 -0.34 0.00 0.00 178.44 178.85 3a6p n LEU 257 N -4.45 0.00 0.22 2.25 4.32 0.12 -2.90 117.00 116.55 3a6p n LEU 257 Ca 0.04 0.32 0.10 0.00 -0.02 0.00 0.00 56.01 56.45 3a6p n LEU 257 Cb 0.06 -0.32 0.46 0.00 -1.62 0.00 0.00 43.42 42.00 3a6p n LEU 257 CO 0.36 -0.08 0.80 -0.07 -1.22 0.00 0.00 177.39 177.18 3a6p h LEU 258 N 0.00 0.00 -1.72 2.23 3.38 -1.23 -2.77 115.31 115.21 3a6p h LEU 258 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a6p h LEU 258 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3a6p h LEU 258 CO 0.00 0.23 0.00 0.59 0.09 0.00 0.00 178.44 179.35 3a6p n ASN 259 N -3.41 2.58 -4.36 -0.43 3.02 -1.14 -4.69 115.26 106.83 3a6p n ASN 259 Ca 0.00 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 3a6p n ASN 259 Cb 0.43 -0.17 -0.11 0.00 -0.61 0.00 0.00 39.78 39.32 3a6p n ASN 259 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3a6p s GLU 260 N -1.66 2.79 0.44 3.52 2.56 -1.06 -5.00 118.70 120.29 3a6p s GLU 260 Ca 0.35 -1.14 0.21 0.00 0.00 0.00 0.00 54.97 54.40 3a6p s GLU 260 Cb 0.20 -3.75 1.18 0.00 2.00 0.00 0.00 34.13 33.76 3a6p s GLU 260 CO 0.29 -0.74 1.82 1.96 -0.56 0.00 0.00 175.26 178.02 3a6p h GLN 261 N 8.44 0.31 0.00 4.30 1.08 -1.87 0.29 115.11 127.66 3a6p h GLN 261 Ca -0.25 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 56.81 3a6p h GLN 261 Cb 1.10 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 3a6p h GLN 261 CO 0.68 0.20 -1.04 1.49 -0.95 0.00 0.00 178.83 179.22 3a6p h GLU 262 N 0.32 0.00 0.00 1.46 4.57 -1.94 -3.37 114.58 115.61 3a6p h GLU 262 Ca 0.53 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 3a6p h GLU 262 Cb 1.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 3a6p h GLU 262 CO -0.19 0.30 -1.31 1.28 -1.18 0.00 0.00 179.01 177.91 3a6p n LEU 263 N -2.97 0.14 -0.30 1.64 4.77 0.53 -4.78 117.00 116.04 3a6p n LEU 263 Ca -0.04 -0.13 0.12 0.00 -0.03 0.00 0.00 56.01 55.93 3a6p n LEU 263 Cb 0.76 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 42.13 3a6p n LEU 263 CO 0.42 0.04 1.03 0.06 -1.33 0.00 0.00 177.39 177.60 3a6p h GLN 264 N 0.00 0.38 -0.17 3.23 3.07 -0.38 -1.00 115.11 120.24 3a6p h GLN 264 Ca 0.00 -0.02 -0.18 0.00 0.09 0.00 0.00 58.65 58.54 3a6p h GLN 264 Cb 0.49 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 27.96 3a6p h GLN 264 CO 0.00 0.25 -0.61 1.25 0.09 0.00 0.00 178.83 179.80 3a6p h LEU 265 N 0.39 0.68 -0.25 0.06 6.46 -1.86 0.67 115.31 121.45 3a6p h LEU 265 Ca 0.53 -0.39 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3a6p h LEU 265 Cb 0.98 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 3a6p h LEU 265 CO -0.52 1.13 0.14 1.23 -0.62 0.00 0.00 178.44 179.80 3a6p h GLY 266 N 1.00 0.38 0.97 3.75 0.00 -1.68 -1.74 103.07 105.75 3a6p h GLY 266 Ca -0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 3a6p h GLY 266 CO 0.12 0.16 -0.34 0.00 0.00 0.00 0.00 176.54 176.48 3a6p h ALA 267 N 1.02 0.39 -0.97 3.60 0.00 -0.83 -1.19 119.26 121.28 3a6p h ALA 267 Ca 0.09 -0.43 0.15 0.00 0.00 0.00 0.00 54.91 54.73 3a6p h ALA 267 Cb 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 3a6p h ALA 267 CO -0.01 0.45 0.61 0.00 0.00 0.00 0.00 179.25 180.30 3a6p h ALA 268 N 0.67 1.69 -0.05 0.00 0.00 0.38 -1.05 119.26 120.91 3a6p h ALA 268 Ca 0.03 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3a6p h ALA 268 Cb 0.93 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3a6p h ALA 268 CO 0.08 0.02 -0.68 1.49 0.00 0.00 0.00 179.25 180.16 3a6p h GLU 269 N 0.81 0.23 -0.26 0.00 4.22 -0.77 -0.54 114.58 118.28 3a6p h GLU 269 Ca 0.51 -0.18 -0.06 0.00 0.08 0.00 0.00 59.36 59.71 3a6p h GLU 269 Cb 0.72 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3a6p h GLU 269 CO -0.28 0.82 -0.08 0.00 -2.18 0.00 0.00 179.01 177.29 3a6p h LEU 271 N 0.25 0.96 -0.23 0.00 3.38 -1.12 -2.12 115.31 116.42 3a6p h LEU 271 Ca 0.06 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3a6p h LEU 271 Cb 0.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3a6p h LEU 271 CO 0.03 0.68 -0.09 0.25 0.09 0.00 0.00 178.44 179.40 3a6p h LEU 272 N 1.12 0.48 -1.22 1.67 6.46 -0.98 -2.30 115.31 120.54 3a6p h LEU 272 Ca 0.33 -0.40 -0.08 0.00 -0.12 0.00 0.00 57.88 57.61 3a6p h LEU 272 Cb -0.07 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 3a6p h LEU 272 CO -0.08 0.76 -0.33 0.40 -0.62 0.00 0.00 178.44 178.58 3a6p h ILE 273 N 0.18 1.26 -0.20 4.05 2.04 -1.04 -2.33 117.51 121.47 3a6p h ILE 273 Ca 0.05 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.62 3a6p h ILE 273 Cb 0.58 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3a6p h ILE 273 CO 0.03 0.36 -0.18 0.00 0.00 0.00 0.00 178.15 178.36 3a6p h ALA 274 N 1.58 0.29 -0.00 1.87 0.00 -1.20 -2.89 119.26 118.91 3a6p h ALA 274 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3a6p h ALA 274 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3a6p h ALA 274 CO 0.05 0.20 -0.28 1.55 0.00 0.00 0.00 179.25 180.76 3a6p n VAL 275 N -4.47 0.00 1.10 0.00 3.14 -0.88 -2.53 118.33 114.69 3a6p n VAL 275 Ca -0.05 -0.05 0.13 0.00 -2.96 0.00 0.00 64.34 61.40 3a6p n VAL 275 Cb 0.39 0.14 0.26 0.00 -1.06 0.00 0.00 33.84 33.57 3a6p n VAL 275 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3a6p n SER 276 N -1.11 2.50 -4.66 6.55 7.64 -0.89 -4.70 113.62 118.95 3a6p n SER 276 Ca 0.10 -1.83 -0.42 0.00 1.01 0.00 0.00 58.87 57.73 3a6p n SER 276 Cb 0.33 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 3a6p n SER 276 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3a6p n ARG 277 N 0.94 2.89 -0.26 1.43 1.74 -1.05 -4.97 116.66 117.39 3a6p n ARG 277 Ca 0.16 1.06 0.00 0.00 -0.77 0.00 0.00 57.85 58.30 3a6p n ARG 277 Cb 0.51 -3.02 0.00 0.00 -1.02 0.00 0.00 32.46 28.93 3a6p n ARG 277 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3a6p n LYS 278 N 7.49 0.71 0.00 5.56 4.76 -1.26 -4.94 118.16 130.48 3a6p n LYS 278 Ca 0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3a6p n LYS 278 Cb 0.41 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.60 3a6p n LYS 278 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a6p n GLY 279 N 5.00 0.27 3.68 0.72 0.00 -1.26 -4.94 105.19 108.66 3a6p n GLY 279 Ca 0.00 -1.88 -0.46 0.00 0.00 0.00 0.00 46.02 43.68 3a6p n GLY 279 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a6p n LYS 280 N 0.00 2.27 -0.36 1.61 4.81 -1.26 -4.91 118.16 120.32 3a6p n LYS 280 Ca 0.00 0.82 0.09 0.00 -0.87 0.00 0.00 58.31 58.36 3a6p n LYS 280 Cb 0.00 -2.63 0.27 0.00 0.02 0.00 0.00 35.03 32.69 3a6p n LYS 280 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3a6p h LEU 281 N 7.12 0.87 -0.80 3.14 5.85 -2.00 -1.85 115.31 127.63 3a6p h LEU 281 Ca -0.46 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3a6p h LEU 281 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3a6p h LEU 281 CO 0.91 0.40 0.00 -0.33 -0.34 0.00 0.00 178.44 179.08 3a6p h GLU 282 N 0.90 0.00 0.00 1.25 3.07 -1.99 -2.58 114.58 115.22 3a6p h GLU 282 Ca 0.53 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.26 3a6p h GLU 282 Cb 0.66 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 3a6p h GLU 282 CO -0.32 0.00 -0.72 -0.44 -1.40 0.00 0.00 179.01 176.13 3a6p h ASP 283 N 0.00 0.00 1.47 1.42 3.45 -1.71 -3.21 116.42 117.84 3a6p h ASP 283 Ca 0.00 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 3a6p h ASP 283 Cb 0.40 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 3a6p h ASP 283 CO 0.00 0.60 -0.54 0.03 -1.57 0.00 0.00 179.24 177.75 3a6p h ARG 284 N 0.00 0.00 -0.93 3.56 2.47 -1.47 -3.37 114.38 114.64 3a6p h ARG 284 Ca -0.03 0.00 0.24 0.00 -1.26 0.00 0.00 59.98 58.93 3a6p h ARG 284 Cb 1.48 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.63 3a6p h ARG 284 CO 0.07 0.31 -0.06 1.63 0.56 0.00 0.00 179.97 182.48 3a6p n LYS 285 N -3.10 -0.08 0.00 0.04 5.02 -1.16 0.84 118.16 119.73 3a6p n LYS 285 Ca 0.01 1.42 0.07 0.00 -2.02 0.00 0.00 58.31 57.79 3a6p n LYS 285 Cb 0.68 -2.21 0.39 0.00 -0.02 0.00 0.00 35.03 33.87 3a6p n LYS 285 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3a6p n PRO 286 N -5.42 0.32 0.00 1.97 -0.02 -1.26 -1.91 135.00 128.68 3a6p n PRO 286 Ca 0.20 0.08 0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3a6p n PRO 286 Cb 0.64 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 33.08 3a6p n PRO 286 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3a6p n LEU 287 N -1.15 0.00 0.00 2.45 4.77 0.25 -2.45 117.00 120.86 3a6p n LEU 287 Ca 0.09 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 3a6p n LEU 287 Cb 0.08 -0.48 0.70 0.00 -2.33 0.00 0.00 43.42 41.39 3a6p n LEU 287 CO 0.10 -0.14 0.92 0.23 -1.33 0.00 0.00 177.39 177.17 3a6p n MET 288 N -1.48 0.62 0.25 3.23 2.81 -0.80 -2.46 117.12 119.29 3a6p n MET 288 Ca 0.06 0.02 0.16 0.00 -1.81 0.00 0.00 57.70 56.13 3a6p n MET 288 Cb 0.24 -1.50 0.69 0.00 -0.71 0.00 0.00 33.22 31.93 3a6p n MET 288 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3a6p h VAL 289 N 0.00 0.00 0.00 2.03 2.07 -1.73 -1.42 116.25 117.20 3a6p h VAL 289 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3a6p h VAL 289 Cb 0.09 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3a6p h VAL 289 CO 0.00 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.52 3a6p h LEU 290 N 0.00 0.00 -0.27 2.57 3.38 -1.75 0.20 115.31 119.44 3a6p h LEU 290 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a6p h LEU 290 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3a6p h LEU 290 CO 0.00 0.00 -0.03 0.49 0.09 0.00 0.00 178.44 178.99 3a6p n PHE 291 N -2.61 0.00 -1.15 1.13 3.01 -0.54 -3.52 117.46 113.77 3a6p n PHE 291 Ca 0.02 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.18 3a6p n PHE 291 Cb 0.30 -0.08 0.13 0.00 -0.01 0.00 0.00 39.48 39.83 3a6p n PHE 291 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3a6p s GLY 292 N -2.18 1.64 0.17 1.37 0.00 0.06 -4.25 107.32 104.13 3a6p s GLY 292 Ca 0.39 0.09 -0.14 0.00 0.00 0.00 0.00 44.72 45.06 3a6p s GLY 292 CO 0.40 0.54 1.77 -0.55 0.00 0.00 0.00 173.10 175.26 3a6p h ASP 293 N -1.49 0.24 0.33 1.64 5.19 -1.90 0.15 116.42 120.58 3a6p h ASP 293 Ca -0.47 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 55.96 3a6p h ASP 293 Cb 1.27 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 3a6p h ASP 293 CO 0.52 0.18 -0.16 0.58 -3.12 0.00 0.00 179.24 177.24 3a6p h VAL 294 N 0.38 0.47 -0.38 -1.35 2.07 -1.92 -3.02 116.25 112.50 3a6p h VAL 294 Ca 0.20 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3a6p h VAL 294 Cb 0.15 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3a6p h VAL 294 CO -0.17 0.11 0.16 0.00 0.02 0.00 0.00 177.57 177.68 3a6p h ALA 295 N -0.62 0.46 -0.01 1.67 0.00 -1.81 -2.56 119.26 116.38 3a6p h ALA 295 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a6p h ALA 295 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3a6p h ALA 295 CO 0.07 -0.23 0.06 1.98 0.00 0.00 0.00 179.25 181.14 3a6p h MET 296 N 0.33 0.00 0.02 0.00 -1.53 -0.99 -0.74 114.93 112.02 3a6p h MET 296 Ca 0.17 0.00 -0.24 0.00 -3.44 0.00 0.00 59.70 56.19 3a6p h MET 296 Cb 0.12 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.19 3a6p h MET 296 CO -0.15 0.00 -0.94 1.25 0.14 0.00 0.00 176.91 177.20 3a6p h HIS 297 N 0.00 0.92 0.02 1.39 6.17 -1.32 0.13 115.15 122.45 3a6p h HIS 297 Ca 0.00 -0.51 -0.22 0.00 0.71 0.00 0.00 60.37 60.35 3a6p h HIS 297 Cb 0.12 -0.10 -0.03 0.00 2.52 0.00 0.00 27.41 29.92 3a6p h HIS 297 CO 0.00 1.35 -1.05 1.88 0.71 0.00 0.00 177.93 180.82 3a6p h TYR 298 N 0.23 0.06 0.42 5.26 -1.99 -1.24 -2.40 116.97 117.31 3a6p h TYR 298 Ca -0.12 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.54 3a6p h TYR 298 Cb 1.62 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.35 3a6p h TYR 298 CO 0.12 1.04 -0.20 0.82 -0.00 0.00 0.00 178.16 179.94 3a6p h ILE 299 N 0.01 0.58 -0.14 -2.88 1.08 -1.23 -2.56 117.51 112.37 3a6p h ILE 299 Ca -0.03 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3a6p h ILE 299 Cb 1.80 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.24 3a6p h ILE 299 CO 0.14 0.04 0.02 0.25 -0.69 0.00 0.00 178.15 177.91 3a6p h LEU 300 N -0.70 0.17 -0.38 1.44 6.46 -0.75 -1.78 115.31 119.77 3a6p h LEU 300 Ca -0.06 -0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.52 3a6p h LEU 300 Cb 0.50 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 3a6p h LEU 300 CO 0.09 0.20 -0.47 -1.28 -0.62 0.00 0.00 178.44 176.36 3a6p h SER 301 N 0.19 0.94 0.38 1.25 0.87 -1.36 0.13 113.55 115.96 3a6p h SER 301 Ca 0.05 -0.47 -0.10 0.00 -1.23 0.00 0.00 61.79 60.04 3a6p h SER 301 Cb 0.11 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3a6p h SER 301 CO -0.00 1.26 -0.46 0.00 -0.53 0.00 0.00 176.83 177.10 3a6p h ALA 302 N 0.77 1.16 0.00 6.23 0.00 -1.13 -3.05 119.26 123.25 3a6p h ALA 302 Ca 0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3a6p h ALA 302 Cb 1.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3a6p h ALA 302 CO 0.11 0.60 -0.53 0.00 0.00 0.00 0.00 179.25 179.42 3a6p h ALA 303 N 1.46 0.72 -0.05 0.00 0.00 -0.67 -3.21 119.26 117.51 3a6p h ALA 303 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3a6p h ALA 303 Cb 0.84 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3a6p h ALA 303 CO 0.06 0.51 -0.60 1.96 0.00 0.00 0.00 179.25 181.19 3a6p h GLN 304 N 0.00 0.16 0.00 0.00 4.20 -0.66 -2.90 115.11 115.91 3a6p h GLN 304 Ca -0.02 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3a6p h GLN 304 Cb 1.32 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.11 3a6p h GLN 304 CO 0.05 0.71 0.00 0.25 -0.67 0.00 0.00 178.83 179.17 3a6p n THR 305 N -3.86 0.00 -1.45 -0.54 -2.24 -1.16 -3.66 114.28 101.36 3a6p n THR 305 Ca -0.02 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 3a6p n THR 305 Cb 0.61 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 3a6p n THR 305 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a6p n ALA 306 N -0.98 7.40 0.36 6.98 0.00 -1.10 -4.50 120.51 128.67 3a6p n ALA 306 Ca 0.10 -3.64 0.13 0.00 0.00 0.00 0.00 53.44 50.03 3a6p n ALA 306 Cb 0.05 -3.26 0.32 0.00 0.00 0.00 0.00 19.45 16.55 3a6p n ALA 306 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a6p h ASP 307 N 4.94 0.00 -0.73 0.00 5.19 -1.87 -3.47 116.42 120.48 3a6p h ASP 307 Ca 0.84 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 57.01 3a6p h ASP 307 Cb 0.29 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.72 3a6p h ASP 307 CO 1.73 0.00 -0.23 0.61 -3.12 0.00 0.00 179.24 178.23 3a6p n GLY 308 N 0.98 1.08 2.79 2.75 0.00 -1.26 -4.91 105.19 106.62 3a6p n GLY 308 Ca 0.04 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 3a6p n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6p n GLY 309 N -1.45 2.61 0.00 -0.02 0.00 -1.26 -4.77 105.19 100.29 3a6p n GLY 309 Ca -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3a6p n GLY 309 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6p n GLY 310 N 3.94 -0.61 3.55 -0.02 0.00 -1.26 -4.88 105.19 105.92 3a6p n GLY 310 Ca 0.34 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 3a6p n GLY 310 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a6p s LEU 311 N -2.46 3.75 -0.40 0.99 2.96 -1.26 -4.99 118.68 117.27 3a6p s LEU 311 Ca 0.00 -0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 3a6p s LEU 311 Cb 0.00 -3.02 0.06 0.00 0.50 0.00 0.00 46.19 43.73 3a6p s LEU 311 CO 0.00 -1.36 0.24 -0.69 -1.32 0.00 0.00 176.35 173.23 3a6p s VAL 312 N 4.48 4.41 0.36 1.68 1.01 -1.26 -5.00 120.40 126.07 3a6p s VAL 312 Ca 0.37 -1.17 0.14 0.00 0.00 0.00 0.00 61.98 61.33 3a6p s VAL 312 Cb -0.10 -3.60 0.35 0.00 0.00 0.00 0.00 36.38 33.04 3a6p s VAL 312 CO 0.23 -0.40 1.74 -0.08 0.00 0.00 0.00 175.10 176.59 3a6p h GLU 313 N 8.44 0.46 -0.28 2.72 4.81 -1.99 0.96 114.58 129.69 3a6p h GLU 313 Ca -0.24 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 3a6p h GLU 313 Cb 1.09 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3a6p h GLU 313 CO 0.73 0.30 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.08 3a6p h LYS 314 N 0.47 0.51 0.00 1.92 3.64 -2.00 -2.45 116.57 118.66 3a6p h LYS 314 Ca 0.63 -0.17 -0.23 0.00 -1.27 0.00 0.00 60.65 59.61 3a6p h LYS 314 Cb 1.41 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3a6p h LYS 314 CO -0.39 0.67 -0.96 1.25 -2.27 0.00 0.00 179.45 177.75 3a6p h HIS 315 N 0.29 0.67 -0.15 1.91 2.76 -1.30 -2.76 115.15 116.56 3a6p h HIS 315 Ca 0.08 -0.36 -0.13 0.00 -2.20 0.00 0.00 60.37 57.76 3a6p h HIS 315 Cb 0.45 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 3a6p h HIS 315 CO 0.04 1.19 -0.45 -0.92 -1.30 0.00 0.00 177.93 176.48 3a6p h TYR 316 N 0.25 0.43 -0.13 5.26 3.20 -1.18 -1.09 116.97 123.71 3a6p h TYR 316 Ca -0.09 -0.13 -0.16 0.00 3.14 0.00 0.00 58.73 61.49 3a6p h TYR 316 Cb 1.60 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.77 3a6p h TYR 316 CO 0.07 0.75 -0.59 0.28 -1.64 0.00 0.00 178.16 177.03 3a6p h VAL 317 N 0.29 1.35 -0.36 1.81 2.07 -1.35 -0.11 116.25 119.95 3a6p h VAL 317 Ca 0.02 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 3a6p h VAL 317 Cb 0.91 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 3a6p h VAL 317 CO 0.08 0.58 0.19 0.15 0.02 0.00 0.00 177.57 178.58 3a6p h PHE 318 N 0.33 0.50 -0.62 1.57 3.57 -1.30 -2.94 116.94 118.05 3a6p h PHE 318 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3a6p h PHE 318 Cb 1.13 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 3a6p h PHE 318 CO 0.04 0.41 0.37 -0.07 -2.23 0.00 0.00 178.31 176.82 3a6p h LEU 319 N 0.44 0.76 -1.98 0.59 3.38 -0.73 0.22 115.31 117.98 3a6p h LEU 319 Ca 0.12 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.16 3a6p h LEU 319 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3a6p h LEU 319 CO -0.02 0.60 0.35 0.11 0.09 0.00 0.00 178.44 179.57 3a6p h LYS 320 N 0.84 0.02 0.02 1.13 1.57 -1.01 -1.30 116.57 117.85 3a6p h LYS 320 Ca 0.22 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3a6p h LYS 320 Cb -0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3a6p h LYS 320 CO -0.04 0.01 -0.29 -0.09 -0.57 0.00 0.00 179.45 178.47 3a6p h ARG 321 N 0.02 0.05 -0.84 3.15 9.65 -0.75 -3.14 114.38 122.50 3a6p h ARG 321 Ca 0.23 -0.08 0.14 0.00 -1.10 0.00 0.00 59.98 59.17 3a6p h ARG 321 Cb 0.90 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.44 3a6p h ARG 321 CO -0.01 1.04 0.55 1.25 2.80 0.00 0.00 179.97 185.60 3a6p h LEU 322 N -0.90 0.59 -0.55 3.80 5.85 -0.51 0.41 115.31 124.00 3a6p h LEU 322 Ca -0.07 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3a6p h LEU 322 Cb 1.14 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3a6p h LEU 322 CO -0.00 0.31 0.08 0.00 -0.34 0.00 0.00 178.44 178.49 3a6p h GLN 324 N 0.80 0.00 -0.52 0.00 4.20 -0.90 -0.30 115.11 118.39 3a6p h GLN 324 Ca 0.17 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3a6p h GLN 324 Cb 0.42 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3a6p h GLN 324 CO 0.01 0.32 -0.04 0.28 -0.67 0.00 0.00 178.83 178.73 3a6p h VAL 325 N 0.00 1.27 -0.02 -0.54 2.07 -0.81 -1.47 116.25 116.74 3a6p h VAL 325 Ca -0.00 -1.16 -0.16 0.00 0.82 0.00 0.00 66.70 66.19 3a6p h VAL 325 Cb 0.73 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3a6p h VAL 325 CO 0.04 0.41 -0.73 -0.07 0.02 0.00 0.00 177.57 177.24 3a6p h LEU 326 N 0.82 0.16 -0.04 2.57 3.38 -0.15 -1.37 115.31 120.68 3a6p h LEU 326 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3a6p h LEU 326 Cb 0.58 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3a6p h LEU 326 CO 0.04 0.83 -0.01 0.00 0.09 0.00 0.00 178.44 179.38 3a6p h ALA 328 N 0.63 1.06 -0.31 0.00 0.00 -1.23 -1.90 119.26 117.52 3a6p h ALA 328 Ca 0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3a6p h ALA 328 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3a6p h ALA 328 CO 0.00 0.58 -0.27 1.25 0.00 0.00 0.00 179.25 180.82 3a6p h LEU 329 N 0.69 0.63 -1.13 0.00 6.46 -1.21 0.24 115.31 120.99 3a6p h LEU 329 Ca 0.12 -0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 3a6p h LEU 329 Cb 0.53 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 3a6p h LEU 329 CO 0.03 0.88 0.17 1.23 -0.62 0.00 0.00 178.44 180.13 3a6p h GLY 330 N 1.00 0.84 1.24 3.75 0.00 -1.15 -1.35 103.07 107.41 3a6p h GLY 330 Ca 0.07 -0.45 -0.26 0.00 0.00 0.00 0.00 47.33 46.69 3a6p h GLY 330 CO 0.06 0.42 -1.02 3.43 0.00 0.00 0.00 176.54 179.43 3a6p h ASN 331 N 0.77 0.88 -0.56 0.19 4.21 -0.51 0.12 115.58 120.68 3a6p h ASN 331 Ca 0.18 -0.70 0.11 0.00 1.21 0.00 0.00 56.30 57.10 3a6p h ASN 331 Cb 0.22 -0.27 -0.11 0.00 -1.12 0.00 0.00 38.32 37.04 3a6p h ASN 331 CO -0.01 1.50 -0.25 1.56 -1.29 0.00 0.00 177.43 178.94 3a6p h GLN 332 N 0.39 -0.11 -0.80 0.81 1.08 -0.62 -0.68 115.11 115.19 3a6p h GLN 332 Ca -0.12 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 3a6p h GLN 332 Cb 1.67 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 29.09 3a6p h GLN 332 CO 0.20 -0.07 0.44 1.25 -0.95 0.00 0.00 178.83 179.70 3a6p h LEU 333 N -0.11 0.99 -1.49 1.46 5.85 -0.61 0.81 115.31 122.21 3a6p h LEU 333 Ca 0.25 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3a6p h LEU 333 Cb 0.50 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3a6p h LEU 333 CO -0.63 0.80 -0.22 0.00 -0.34 0.00 0.00 178.44 178.05 3a6p n ALA 335 N -2.31 1.44 0.07 0.00 0.00 -0.28 -3.61 120.51 115.82 3a6p n ALA 335 Ca -0.01 -0.83 -0.09 0.00 0.00 0.00 0.00 53.44 52.51 3a6p n ALA 335 Cb 0.34 -0.73 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 3a6p n ALA 335 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3a6p h LEU 336 N 0.01 0.11 0.06 0.00 3.38 -0.82 -3.36 115.31 114.69 3a6p h LEU 336 Ca -0.34 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 3a6p h LEU 336 Cb 2.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.76 3a6p h LEU 336 CO 0.07 1.07 -0.03 0.25 0.09 0.00 0.00 178.44 179.89 3a6p h LEU 337 N 0.02 -0.07 -0.99 1.67 5.85 -1.49 -3.33 115.31 116.97 3a6p h LEU 337 Ca -0.04 -0.50 0.34 0.00 0.84 0.00 0.00 57.88 58.53 3a6p h LEU 337 Cb 1.78 0.02 -0.18 0.00 0.37 0.00 0.00 40.66 42.65 3a6p h LEU 337 CO 0.15 0.62 0.27 0.61 -0.34 0.00 0.00 178.44 179.75 3a6p n GLY 338 N 1.23 -1.05 0.25 3.75 0.00 -1.24 -0.06 105.19 108.07 3a6p n GLY 338 Ca -0.07 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3a6p n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6p n ALA 339 N -2.72 2.09 -0.02 4.61 0.00 -1.25 -4.86 120.51 118.35 3a6p n ALA 339 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3a6p n ALA 339 Cb 1.02 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3a6p n ALA 339 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3a6p n ASP 340 N -0.17 0.00 -4.57 0.00 5.68 0.91 -4.77 116.55 113.63 3a6p n ASP 340 Ca 0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.95 3a6p n ASP 340 Cb 0.08 -0.19 -0.04 0.00 -1.14 0.00 0.00 41.12 39.84 3a6p n ASP 340 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3a6p s SER 341 N -0.20 5.85 0.00 -1.12 1.04 -1.26 -4.43 113.70 113.59 3a6p s SER 341 Ca 0.00 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.03 3a6p s SER 341 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 3a6p s SER 341 CO 0.00 -2.13 0.00 0.47 0.98 0.00 0.00 173.24 172.56 3a6p n ASP 342 N 11.44 0.00 -4.66 7.02 9.92 -1.26 -4.93 116.55 134.08 3a6p n ASP 342 Ca 0.40 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.24 3a6p n ASP 342 Cb 0.48 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.93 3a6p n ASP 342 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3a6p s VAL 343 N 0.00 3.69 0.08 2.53 1.01 -1.26 -5.01 120.40 121.44 3a6p s VAL 343 Ca 0.00 0.86 0.08 0.00 0.00 0.00 0.00 61.98 62.92 3a6p s VAL 343 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3a6p s VAL 343 CO 0.00 -0.07 -0.18 -1.61 0.00 0.00 0.00 175.10 173.24 3a6p s GLU 344 N 3.82 1.95 -0.20 2.72 0.41 -1.26 -4.76 118.70 121.39 3a6p s GLU 344 Ca 0.70 -1.07 -0.37 0.00 -0.41 0.00 0.00 54.97 53.82 3a6p s GLU 344 Cb -0.31 -2.16 -0.14 0.00 -1.78 0.00 0.00 34.13 29.74 3a6p s GLU 344 CO 0.27 0.51 1.83 2.41 -0.49 0.00 0.00 175.26 179.80 3a6p n THR 345 N 1.20 0.44 -1.54 3.63 -1.04 -1.26 -4.86 114.28 110.85 3a6p n THR 345 Ca -0.16 -0.09 -0.44 0.00 -2.04 0.00 0.00 64.05 61.33 3a6p n THR 345 Cb 0.52 -1.55 -0.01 0.00 -1.82 0.00 0.00 70.33 67.47 3a6p n THR 345 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3a6p n PRO 346 N 6.13 1.04 0.12 -2.82 -0.02 -1.26 -4.91 135.00 133.27 3a6p n PRO 346 Ca 0.25 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 3a6p n PRO 346 Cb 0.21 -1.72 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 3a6p n PRO 346 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3a6p h SER 347 N 1.52 -0.22 0.00 2.55 0.02 -1.89 -2.75 113.55 112.79 3a6p h SER 347 Ca -0.40 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3a6p h SER 347 Cb 1.36 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.96 3a6p h SER 347 CO 0.57 -0.02 0.00 0.59 -1.14 0.00 0.00 176.83 176.83 3a6p n ASN 348 N -5.14 0.52 -0.00 3.07 5.03 -1.26 -4.18 115.26 113.30 3a6p n ASN 348 Ca -0.09 -0.86 0.04 0.00 0.87 0.00 0.00 54.58 54.54 3a6p n ASN 348 Cb 0.18 -0.21 0.42 0.00 -1.02 0.00 0.00 39.78 39.14 3a6p n ASN 348 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3a6p h PHE 349 N 0.63 0.52 -0.77 3.10 3.57 -1.80 -1.04 116.94 121.15 3a6p h PHE 349 Ca 0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3a6p h PHE 349 Cb 0.24 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3a6p h PHE 349 CO 0.00 0.33 0.51 0.78 -2.23 0.00 0.00 178.31 177.70 3a6p h GLY 350 N 0.57 1.09 1.43 2.40 0.00 -1.86 -1.74 103.07 104.95 3a6p h GLY 350 Ca 0.15 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.92 3a6p h GLY 350 CO -0.03 0.37 -0.56 0.50 0.00 0.00 0.00 176.54 176.81 3a6p h LYS 351 N 1.01 0.60 -0.62 4.80 1.57 -1.52 -0.10 116.57 122.31 3a6p h LYS 351 Ca 0.29 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3a6p h LYS 351 Cb -0.06 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3a6p h LYS 351 CO -0.07 1.00 0.33 -0.92 -0.57 0.00 0.00 179.45 179.22 3a6p h TYR 352 N 0.46 0.86 0.04 -1.35 3.20 -1.11 -0.20 116.97 118.86 3a6p h TYR 352 Ca 0.01 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3a6p h TYR 352 Cb 1.12 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3a6p h TYR 352 CO 0.05 0.63 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.11 3a6p h LEU 353 N 0.85 -0.04 -1.10 2.82 3.38 -1.20 0.69 115.31 120.71 3a6p h LEU 353 Ca 0.22 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3a6p h LEU 353 Cb 0.06 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3a6p h LEU 353 CO -0.03 0.17 0.61 -0.08 0.09 0.00 0.00 178.44 179.20 3a6p h GLU 354 N -0.26 1.06 -0.03 1.13 4.81 -0.80 0.10 114.58 120.59 3a6p h GLU 354 Ca -0.01 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3a6p h GLU 354 Cb 0.24 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3a6p h GLU 354 CO 0.01 0.70 -0.05 1.03 -0.73 0.00 0.00 179.01 179.96 3a6p h SER 355 N 1.09 0.10 -0.40 1.04 0.87 -0.77 -2.83 113.55 112.66 3a6p h SER 355 Ca 0.40 -0.55 0.11 0.00 -1.23 0.00 0.00 61.79 60.52 3a6p h SER 355 Cb 0.17 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3a6p h SER 355 CO -0.15 0.63 0.28 0.15 -0.53 0.00 0.00 176.83 177.22 3a6p h PHE 356 N -0.43 0.01 -0.08 2.24 3.57 0.15 -1.70 116.94 120.71 3a6p h PHE 356 Ca 0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 3a6p h PHE 356 Cb 0.61 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3a6p h PHE 356 CO 0.11 0.01 -0.70 1.25 -2.23 0.00 0.00 178.31 176.75 3a6p h LEU 357 N 0.01 0.44 -0.98 0.59 6.46 -0.73 -2.15 115.31 118.96 3a6p h LEU 357 Ca 0.19 -0.28 0.26 0.00 -0.12 0.00 0.00 57.88 57.93 3a6p h LEU 357 Cb 0.74 -0.13 -0.13 0.00 -0.73 0.00 0.00 40.66 40.41 3a6p h LEU 357 CO -0.00 1.00 0.53 0.00 -0.62 0.00 0.00 178.44 179.35 3a6p h ALA 358 N 0.99 1.74 0.00 1.25 0.00 -1.06 0.31 119.26 122.50 3a6p h ALA 358 Ca -0.02 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3a6p h ALA 358 Cb 1.26 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3a6p h ALA 358 CO 0.12 -0.39 -0.52 0.74 0.00 0.00 0.00 179.25 179.20 3a6p h PHE 359 N 0.45 0.00 0.00 0.00 -1.00 -1.49 -3.23 116.94 111.66 3a6p h PHE 359 Ca 0.65 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 61.31 3a6p h PHE 359 Cb 1.33 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.87 3a6p h PHE 359 CO -0.05 0.49 -0.56 1.15 -1.61 0.00 0.00 178.31 177.73 3a6p h THR 360 N 0.00 1.25 -0.14 -1.55 2.02 0.19 -3.15 112.91 111.53 3a6p h THR 360 Ca -0.01 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.14 3a6p h THR 360 Cb 1.38 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 3a6p h THR 360 CO 0.06 0.55 0.00 0.35 0.37 0.00 0.00 175.52 176.85 3a6p n THR 361 N -3.65 0.16 -2.57 3.16 -2.24 -0.73 -4.75 114.28 103.67 3a6p n THR 361 Ca -0.01 -0.56 -0.37 0.00 -2.27 0.00 0.00 64.05 60.84 3a6p n THR 361 Cb 0.61 1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 70.08 3a6p n THR 361 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3a6p s HIS 362 N -1.84 3.39 0.57 4.78 5.04 -1.19 -4.92 115.29 121.12 3a6p s HIS 362 Ca 0.32 1.68 0.16 0.00 -1.54 0.00 0.00 55.06 55.68 3a6p s HIS 362 Cb 0.21 -3.12 0.88 0.00 0.04 0.00 0.00 32.58 30.58 3a6p s HIS 362 CO 0.31 -0.48 1.47 -1.35 -2.34 0.00 0.00 174.74 172.34 3a6p h PRO 363 N 2.84 0.00 -6.26 2.88 0.11 -1.91 -3.43 132.00 126.23 3a6p h PRO 363 Ca -0.48 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.08 3a6p h PRO 363 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3a6p h PRO 363 CO 0.64 0.00 0.50 0.45 -0.21 0.00 0.00 178.00 179.38 3a6p s SER 364 N -3.71 7.24 0.15 -2.05 0.15 -1.26 -4.28 113.70 109.94 3a6p s SER 364 Ca -0.02 1.52 -0.18 0.00 0.70 0.00 0.00 55.95 57.97 3a6p s SER 364 Cb 0.05 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.85 3a6p s SER 364 CO 0.15 -0.40 1.69 1.56 1.20 0.00 0.00 173.24 177.44 3a6p h GLN 365 N 7.05 0.03 -0.30 5.44 1.08 -1.85 -1.71 115.11 124.85 3a6p h GLN 365 Ca -0.33 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.91 3a6p h GLN 365 Cb 1.16 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.54 3a6p h GLN 365 CO 0.83 0.02 0.06 0.35 -0.95 0.00 0.00 178.83 179.14 3a6p h PHE 366 N 0.03 0.10 -0.35 2.96 3.57 -1.93 -0.92 116.94 120.39 3a6p h PHE 366 Ca 0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3a6p h PHE 366 Cb 0.22 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3a6p h PHE 366 CO -0.27 0.02 0.22 -0.07 -2.23 0.00 0.00 178.31 175.98 3a6p h LEU 367 N 0.17 0.42 -0.31 0.59 3.38 -1.76 -2.02 115.31 115.77 3a6p h LEU 367 Ca 0.14 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3a6p h LEU 367 Cb 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3a6p h LEU 367 CO -0.18 0.33 0.18 0.03 0.09 0.00 0.00 178.44 178.89 3a6p h ARG 368 N 0.46 0.35 -0.13 1.13 3.08 -0.99 -2.72 114.38 115.57 3a6p h ARG 368 Ca 0.13 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.19 3a6p h ARG 368 Cb -0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3a6p h ARG 368 CO -0.03 0.23 0.09 0.77 -1.07 0.00 0.00 179.97 179.97 3a6p h SER 369 N 0.36 0.00 0.49 7.04 0.02 -0.84 -2.07 113.55 118.56 3a6p h SER 369 Ca 0.12 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.92 3a6p h SER 369 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3a6p h SER 369 CO -0.06 0.00 -0.68 0.28 -1.14 0.00 0.00 176.83 175.23 3a6p h SER 370 N 0.00 0.19 0.76 3.07 0.02 -1.04 -3.10 113.55 113.45 3a6p h SER 370 Ca 0.06 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 3a6p h SER 370 Cb 0.25 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3a6p h SER 370 CO -0.00 0.81 -0.38 0.71 -1.14 0.00 0.00 176.83 176.84 3a6p h THR 371 N 0.11 0.93 -0.59 -2.27 1.35 -1.37 -3.35 112.91 107.71 3a6p h THR 371 Ca -0.01 -1.48 0.09 0.00 -0.55 0.00 0.00 66.41 64.46 3a6p h THR 371 Cb 1.21 1.89 -0.11 0.00 -1.73 0.00 0.00 68.15 69.41 3a6p h THR 371 CO 0.10 0.37 -0.43 1.56 -0.25 0.00 0.00 175.52 176.87 3a6p h GLN 372 N 0.00 -0.21 -0.85 4.72 1.08 -1.61 -1.57 115.11 116.67 3a6p h GLN 372 Ca -0.00 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.26 3a6p h GLN 372 Cb 0.86 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.28 3a6p h GLN 372 CO 0.05 -0.14 0.56 0.52 -0.95 0.00 0.00 178.83 178.87 3a6p h MET 373 N -0.21 0.98 -0.08 1.46 2.86 -1.80 0.39 114.93 118.53 3a6p h MET 373 Ca 0.19 -0.06 -0.21 0.00 -2.06 0.00 0.00 59.70 57.56 3a6p h MET 373 Cb 0.56 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3a6p h MET 373 CO -0.70 0.65 -0.80 1.15 1.06 0.00 0.00 176.91 178.27 3a6p h THR 374 N 1.01 1.35 -0.10 2.22 2.02 -1.56 -0.96 112.91 116.89 3a6p h THR 374 Ca 0.35 -2.16 0.02 0.00 0.77 0.00 0.00 66.41 65.39 3a6p h THR 374 Cb 0.13 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 3a6p h THR 374 CO -0.12 0.66 -0.01 -0.50 0.37 0.00 0.00 175.52 175.92 3a6p h TRP 375 N 0.34 -0.03 -0.93 3.16 -0.00 -0.58 0.11 115.95 118.02 3a6p h TRP 375 Ca -0.05 0.01 0.10 0.00 -0.00 0.00 0.00 58.89 58.94 3a6p h TRP 375 Cb 1.40 0.03 -0.07 0.00 -0.00 0.00 0.00 29.16 30.52 3a6p h TRP 375 CO 0.06 -0.03 0.60 0.78 -0.00 0.00 0.00 178.44 179.85 3a6p h GLY 376 N 0.02 1.38 2.00 1.49 0.00 -0.07 0.11 103.07 108.01 3a6p h GLY 376 Ca 0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 3a6p h GLY 376 CO -0.09 0.22 -0.40 0.00 0.00 0.00 0.00 176.54 176.27 3a6p h ALA 377 N 1.54 1.25 -0.01 3.60 0.00 -0.62 -3.14 119.26 121.88 3a6p h ALA 377 Ca 0.43 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3a6p h ALA 377 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3a6p h ALA 377 CO -0.19 0.50 -0.83 -0.07 0.00 0.00 0.00 179.25 178.67 3a6p h LEU 378 N 0.00 0.20 0.00 0.00 3.38 0.17 -3.12 115.31 115.93 3a6p h LEU 378 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3a6p h LEU 378 Cb 0.75 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3a6p h LEU 378 CO 0.05 0.94 -0.45 0.49 0.09 0.00 0.00 178.44 179.56 3a6p n PHE 379 N -3.67 0.10 0.48 1.13 0.99 -0.31 -3.27 117.46 112.90 3a6p n PHE 379 Ca -0.03 0.03 0.06 0.00 -0.00 0.00 0.00 57.45 57.51 3a6p n PHE 379 Cb 0.77 -0.36 0.06 0.00 -1.00 0.00 0.00 39.48 38.96 3a6p n PHE 379 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 3a6p n ARG 380 N -1.61 0.80 -1.74 -1.08 1.85 -1.19 -4.82 116.66 108.87 3a6p n ARG 380 Ca 0.05 -1.27 -0.42 0.00 -1.00 0.00 0.00 57.85 55.21 3a6p n ARG 380 Cb 0.35 -1.24 -0.03 0.00 -1.05 0.00 0.00 32.46 30.50 3a6p n ARG 380 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3a6p s HIS 381 N -1.02 2.37 0.43 2.89 2.46 -1.18 -4.85 115.29 116.39 3a6p s HIS 381 Ca 0.15 0.11 0.27 0.00 0.47 0.00 0.00 55.06 56.06 3a6p s HIS 381 Cb 0.10 -4.15 1.33 0.00 -0.13 0.00 0.00 32.58 29.74 3a6p s HIS 381 CO 0.15 -4.62 1.67 1.49 -2.47 0.00 0.00 174.74 170.97 3a6p h GLU 382 N 8.10 0.17 0.00 2.88 4.57 -1.92 -2.88 114.58 125.49 3a6p h GLU 382 Ca -0.45 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 57.53 3a6p h GLU 382 Cb 1.21 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 3a6p h GLU 382 CO 0.95 0.11 -1.67 -0.89 -1.18 0.00 0.00 179.01 176.33 3a6p n ILE 383 N -4.65 0.66 0.50 2.32 5.41 -1.26 -4.64 119.36 117.69 3a6p n ILE 383 Ca 0.33 -0.21 0.09 0.00 1.00 0.00 0.00 62.75 63.96 3a6p n ILE 383 Cb 1.26 -1.32 0.38 0.00 -0.71 0.00 0.00 39.64 39.25 3a6p n ILE 383 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3a6p n LEU 384 N -3.22 0.21 0.10 1.39 4.77 -1.21 -1.80 117.00 117.24 3a6p n LEU 384 Ca -0.22 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.42 3a6p n LEU 384 Cb 0.69 -0.52 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3a6p n LEU 384 CO 0.06 -0.32 0.21 0.77 -1.33 0.00 0.00 177.39 176.78 3a6p h SER 385 N 0.00 0.00 1.23 -1.43 4.64 -1.64 -2.83 113.55 113.53 3a6p h SER 385 Ca 0.00 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 3a6p h SER 385 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3a6p h SER 385 CO 0.00 0.03 -0.80 0.03 -0.87 0.00 0.00 176.83 175.22 3a6p h ARG 386 N 0.00 0.00 -6.38 4.77 3.08 -1.58 -3.43 114.38 110.84 3a6p h ARG 386 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3a6p h ARG 386 Cb 0.92 0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.03 3a6p h ARG 386 CO 0.00 0.44 0.59 -3.47 -1.07 0.00 0.00 179.97 176.47 3a6p n ASP 387 N -3.12 2.26 0.18 7.04 2.03 -0.89 -4.87 116.55 119.18 3a6p n ASP 387 Ca -0.02 1.11 0.03 0.00 0.52 0.00 0.00 54.79 56.44 3a6p n ASP 387 Cb 0.77 -1.30 0.31 0.00 -0.72 0.00 0.00 41.12 40.18 3a6p n ASP 387 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a6p h PRO 388 N 5.04 0.00 -0.57 -0.67 0.11 -1.89 -1.78 132.00 132.25 3a6p h PRO 388 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3a6p h PRO 388 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 3a6p h PRO 388 CO 0.82 0.43 0.25 -0.07 -0.21 0.00 0.00 178.00 179.22 3a6p h LEU 389 N 0.00 0.73 -0.08 2.35 3.38 -1.94 0.30 115.31 120.05 3a6p h LEU 389 Ca -0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3a6p h LEU 389 Cb 0.88 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3a6p h LEU 389 CO 0.06 0.64 -0.13 0.25 0.09 0.00 0.00 178.44 179.35 3a6p h LEU 390 N 0.80 0.24 -0.65 1.67 5.85 -1.79 -3.15 115.31 118.29 3a6p h LEU 390 Ca 0.20 -0.54 0.13 0.00 0.84 0.00 0.00 57.88 58.51 3a6p h LEU 390 Cb 0.12 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 40.98 3a6p h LEU 390 CO -0.02 0.74 0.11 -0.07 -0.34 0.00 0.00 178.44 178.86 3a6p h LEU 391 N -0.24 -0.06 -2.34 2.25 3.38 -0.98 -1.52 115.31 115.80 3a6p h LEU 391 Ca 0.01 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3a6p h LEU 391 Cb 0.69 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3a6p h LEU 391 CO 0.03 -0.03 0.18 0.00 0.09 0.00 0.00 178.44 178.71 3a6p h ALA 392 N 1.54 1.56 -0.01 1.53 0.00 -0.40 -2.52 119.26 120.96 3a6p h ALA 392 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3a6p h ALA 392 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3a6p h ALA 392 CO -0.47 -0.24 -0.76 1.51 0.00 0.00 0.00 179.25 179.29 3a6p n ILE 393 N -3.50 0.00 -0.09 0.00 0.13 -0.58 -4.38 119.36 110.94 3a6p n ILE 393 Ca -0.00 -0.09 -0.13 0.00 -1.10 0.00 0.00 62.75 61.43 3a6p n ILE 393 Cb 0.28 1.01 -0.04 0.00 -0.84 0.00 0.00 39.64 40.05 3a6p n ILE 393 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 3a6p h ILE 394 N 0.86 1.30 -0.43 9.51 2.04 -1.43 -0.83 117.51 128.54 3a6p h ILE 394 Ca 0.00 -1.46 0.09 0.00 1.00 0.00 0.00 64.86 64.49 3a6p h ILE 394 Cb 0.59 1.61 -0.09 0.00 -0.74 0.00 0.00 36.82 38.18 3a6p h ILE 394 CO 0.00 0.47 -0.27 -0.65 0.00 0.00 0.00 178.15 177.70 3a6p h PRO 395 N 0.43 -0.18 -0.74 2.37 0.11 -1.79 0.14 132.00 132.34 3a6p h PRO 395 Ca 0.04 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 3a6p h PRO 395 Cb 0.86 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 3a6p h PRO 395 CO 0.07 -0.12 0.44 0.87 -0.21 0.00 0.00 178.00 179.05 3a6p h LYS 396 N -0.19 1.00 0.19 1.05 1.57 -1.80 -1.76 116.57 116.63 3a6p h LYS 396 Ca 0.20 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3a6p h LYS 396 Cb 0.50 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3a6p h LYS 396 CO -0.54 0.70 -0.09 -0.92 -0.57 0.00 0.00 179.45 178.03 3a6p h TYR 397 N 1.01 -0.24 -0.23 -1.35 3.20 -0.32 -2.78 116.97 116.26 3a6p h TYR 397 Ca 0.26 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3a6p h TYR 397 Cb -0.03 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3a6p h TYR 397 CO 0.00 -0.04 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.15 3a6p h LEU 398 N -0.40 0.44 -0.88 2.82 3.38 -0.72 -1.04 115.31 118.91 3a6p h LEU 398 Ca -0.03 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3a6p h LEU 398 Cb 0.31 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3a6p h LEU 398 CO 0.04 0.69 0.56 -0.09 0.09 0.00 0.00 178.44 179.74 3a6p h ARG 399 N 0.38 1.01 -0.54 1.13 2.43 -1.34 -0.99 114.38 116.46 3a6p h ARG 399 Ca 0.06 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3a6p h ARG 399 Cb 0.66 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3a6p h ARG 399 CO 0.05 0.67 0.20 0.00 -1.51 0.00 0.00 179.97 179.37 3a6p h ALA 400 N 1.40 0.70 0.00 2.80 0.00 -0.96 -2.96 119.26 120.24 3a6p h ALA 400 Ca 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3a6p h ALA 400 Cb 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3a6p h ALA 400 CO -0.15 0.33 -0.07 0.77 0.00 0.00 0.00 179.25 180.13 3a6p h SER 401 N 0.73 0.00 -0.14 0.00 0.02 -0.03 -1.02 113.55 113.11 3a6p h SER 401 Ca 0.18 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3a6p h SER 401 Cb 0.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 3a6p h SER 401 CO -0.01 0.07 -0.04 0.24 -1.14 0.00 0.00 176.83 175.95 3a6p h MET 402 N 0.00 0.27 -0.28 3.45 2.07 -1.09 -0.80 114.93 118.56 3a6p h MET 402 Ca -0.00 -0.11 -0.08 0.00 -2.07 0.00 0.00 59.70 57.45 3a6p h MET 402 Cb 0.15 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.85 3a6p h MET 402 CO 0.01 0.57 -0.16 1.15 1.07 0.00 0.00 176.91 179.55 3a6p h THR 403 N -0.04 1.24 0.00 2.22 2.02 -1.45 -0.93 112.91 115.97 3a6p h THR 403 Ca 0.03 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3a6p h THR 403 Cb 0.47 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3a6p h THR 403 CO 0.01 0.35 0.00 0.78 0.37 0.00 0.00 175.52 177.04 3a6p h ASN 404 N 0.45 0.00 1.04 4.18 4.21 -0.77 -1.60 115.58 123.08 3a6p h ASN 404 Ca 0.08 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.41 3a6p h ASN 404 Cb 0.54 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.71 3a6p h ASN 404 CO 0.03 0.00 -0.85 -0.07 -1.29 0.00 0.00 177.43 175.25 3a6p h LEU 405 N 0.00 0.00 -9.16 1.61 3.38 0.29 -3.44 115.31 107.99 3a6p h LEU 405 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3a6p h LEU 405 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3a6p h LEU 405 CO 0.00 0.85 0.97 -0.69 0.09 0.00 0.00 178.44 179.66 3a6p s VAL 406 N -2.89 4.05 -0.81 1.22 1.01 -0.60 -4.71 120.40 117.67 3a6p s VAL 406 Ca 0.01 1.26 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 3a6p s VAL 406 Cb 0.10 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3a6p s VAL 406 CO 0.80 -0.15 2.02 1.17 0.00 0.00 0.00 175.10 178.94 3a6p n LYS 407 N 6.86 1.88 -4.19 2.72 4.81 -1.26 -4.86 118.16 124.11 3a6p n LYS 407 Ca 0.15 -1.34 -0.25 0.00 -0.87 0.00 0.00 58.31 56.00 3a6p n LYS 407 Cb 0.44 -2.39 -0.07 0.00 0.02 0.00 0.00 35.03 33.04 3a6p n LYS 407 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3a6p s MET 408 N 3.47 2.53 0.00 1.64 -1.94 -1.26 -4.85 119.30 118.89 3a6p s MET 408 Ca 0.36 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 3a6p s MET 408 Cb 0.10 -2.39 0.00 0.00 2.01 0.00 0.00 34.83 34.54 3a6p s MET 408 CO -0.03 0.44 0.00 0.41 -0.01 0.00 0.00 175.02 175.83 3a6p n GLY 409 N -0.44 0.89 3.77 -0.03 0.00 -1.26 -4.94 105.19 103.17 3a6p n GLY 409 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3a6p n GLY 409 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a6p s PHE 410 N -1.52 2.66 0.25 1.61 0.40 -1.26 -4.55 117.98 115.57 3a6p s PHE 410 Ca 0.00 1.53 -0.03 0.00 -0.60 0.00 0.00 56.93 57.82 3a6p s PHE 410 Cb 0.00 -3.38 0.30 0.00 0.51 0.00 0.00 43.02 40.45 3a6p s PHE 410 CO 0.00 -1.74 1.78 -1.35 0.70 0.00 0.00 175.22 174.61 3a6p h PRO 411 N 1.43 0.91 0.21 0.24 0.11 -1.86 -3.26 132.00 129.78 3a6p h PRO 411 Ca -0.50 -0.21 -0.33 0.00 0.11 0.00 0.00 66.00 65.07 3a6p h PRO 411 Cb 1.27 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 32.28 3a6p h PRO 411 CO 0.58 0.83 -1.49 0.66 -0.21 0.00 0.00 178.00 178.37 3a6p h SER 412 N 0.87 0.70 -3.23 -2.05 4.64 -1.91 -3.43 113.55 109.13 3a6p h SER 412 Ca 0.18 -0.81 -0.26 0.00 -0.47 0.00 0.00 61.79 60.44 3a6p h SER 412 Cb 0.35 -0.23 0.10 0.00 -0.31 0.00 0.00 62.40 62.32 3a6p h SER 412 CO 0.00 1.64 0.24 0.29 -0.87 0.00 0.00 176.83 178.14 3a6p n LYS 413 N -3.64 -0.71 -0.74 4.77 5.02 -1.23 -5.03 118.16 116.60 3a6p n LYS 413 Ca -0.17 -1.27 0.01 0.00 -2.02 0.00 0.00 58.31 54.86 3a6p n LYS 413 Cb 1.08 -0.79 0.01 0.00 -0.02 0.00 0.00 35.03 35.31 3a6p n LYS 413 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3a6p n THR 414 N -3.04 0.07 0.08 -0.18 5.66 -1.26 -4.76 114.28 110.85 3a6p n THR 414 Ca 0.10 -0.35 -0.05 0.00 -3.05 0.00 0.00 64.05 60.70 3a6p n THR 414 Cb 0.35 0.60 -0.04 0.00 -1.55 0.00 0.00 70.33 69.69 3a6p n THR 414 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 3a6p h ASP 415 N 0.26 0.00 -4.90 1.09 3.04 -1.95 -3.47 116.42 110.49 3a6p h ASP 415 Ca -0.06 -0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.53 3a6p h ASP 415 Cb 1.51 -0.00 -0.18 0.00 -1.04 0.00 0.00 39.33 39.62 3a6p h ASP 415 CO 0.02 0.89 -0.70 -0.94 -2.04 0.00 0.00 179.24 176.48 3a6p s SER 416 N -6.75 0.70 0.44 4.15 1.04 -1.26 -5.05 113.70 106.97 3a6p s SER 416 Ca 0.00 -0.79 0.19 0.00 0.48 0.00 0.00 55.95 55.84 3a6p s SER 416 Cb 0.11 0.11 1.14 0.00 0.10 0.00 0.00 66.02 67.48 3a6p s SER 416 CO 0.80 -0.40 1.89 1.55 0.98 0.00 0.00 173.24 178.06 3a6p h PRO 417 N 3.75 0.32 0.00 4.02 0.13 -1.95 -1.48 132.00 136.79 3a6p h PRO 417 Ca -0.34 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3a6p h PRO 417 Cb 1.18 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3a6p h PRO 417 CO 0.54 0.21 -0.02 0.77 -0.23 0.00 0.00 178.00 179.28 3a6p h SER 418 N 0.33 0.00 -0.77 1.44 0.02 -1.94 -2.91 113.55 109.73 3a6p h SER 418 Ca 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 3a6p h SER 418 Cb 1.13 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 3a6p h SER 418 CO -0.13 0.02 0.44 0.00 -1.14 0.00 0.00 176.83 176.02 3a6p h GLU 420 N 1.08 -0.63 0.00 0.00 4.57 -1.71 -2.86 114.58 115.03 3a6p h GLU 420 Ca 0.28 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.46 3a6p h GLU 420 Cb -0.00 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3a6p h GLU 420 CO -0.05 -0.42 -0.17 1.88 -1.18 0.00 0.00 179.01 179.07 3a6p h TYR 421 N -0.66 0.00 0.00 0.92 -1.99 -1.67 -2.19 116.97 111.38 3a6p h TYR 421 Ca -0.01 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 3a6p h TYR 421 Cb 0.65 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 3a6p h TYR 421 CO -0.42 0.17 -0.35 0.77 -0.00 0.00 0.00 178.16 178.32 3a6p h SER 422 N 0.00 0.00 -0.06 3.88 0.02 -1.14 -2.67 113.55 113.58 3a6p h SER 422 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3a6p h SER 422 Cb 0.41 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 3a6p h SER 422 CO 0.02 0.35 -0.01 0.03 -1.14 0.00 0.00 176.83 176.09 3a6p h ARG 423 N 0.00 0.11 -1.01 3.45 3.08 -1.23 -1.23 114.38 117.55 3a6p h ARG 423 Ca -0.00 -0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.27 3a6p h ARG 423 Cb 0.69 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 3a6p h ARG 423 CO 0.05 0.42 0.68 0.35 -1.07 0.00 0.00 179.97 180.39 3a6p h PHE 424 N -0.21 0.44 0.00 3.04 3.57 -1.49 -3.31 116.94 118.98 3a6p h PHE 424 Ca 0.02 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 3a6p h PHE 424 Cb 0.38 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3a6p h PHE 424 CO 0.04 0.06 -1.90 -0.25 -2.23 0.00 0.00 178.31 174.04 3a6p n ASP 425 N -4.48 1.32 -3.91 0.41 8.00 -1.03 -4.99 116.55 111.86 3a6p n ASP 425 Ca 0.23 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.56 3a6p n ASP 425 Cb 0.90 1.24 -0.15 0.00 -0.02 0.00 0.00 41.12 43.09 3a6p n ASP 425 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a6p s PHE 426 N -2.69 0.53 0.03 1.24 0.40 -0.48 -5.07 117.98 111.94 3a6p s PHE 426 Ca -0.07 -0.11 -0.11 0.00 -0.60 0.00 0.00 56.93 56.05 3a6p s PHE 426 Cb 0.07 -0.44 -0.05 0.00 0.51 0.00 0.00 43.02 43.11 3a6p s PHE 426 CO 0.64 -0.09 1.17 -0.44 0.70 0.00 0.00 175.22 177.20 3a6p h ASP 427 N 6.62 -0.45 -0.80 1.36 3.32 -1.86 -3.42 116.42 121.18 3a6p h ASP 427 Ca -0.34 0.04 -0.62 0.00 0.02 0.00 0.00 57.03 56.13 3a6p h ASP 427 Cb 1.17 0.16 -0.09 0.00 0.22 0.00 0.00 39.33 40.78 3a6p h ASP 427 CO 0.49 -0.19 -0.45 -0.94 -1.72 0.00 0.00 179.24 176.43 3a6p s SER 428 N -2.98 4.35 0.47 6.45 1.04 -1.26 -5.02 113.70 116.75 3a6p s SER 428 Ca -0.05 -1.37 0.18 0.00 0.48 0.00 0.00 55.95 55.18 3a6p s SER 428 Cb 0.01 0.19 1.14 0.00 0.10 0.00 0.00 66.02 67.46 3a6p s SER 428 CO 0.19 -0.84 2.03 0.44 0.98 0.00 0.00 173.24 176.03 3a6p h ASP 429 N 1.20 0.00 -0.43 7.02 3.45 -1.97 -2.44 116.42 123.25 3a6p h ASP 429 Ca -0.41 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.01 3a6p h ASP 429 Cb 1.29 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.04 3a6p h ASP 429 CO 0.68 0.15 0.11 -0.33 -1.57 0.00 0.00 179.24 178.28 3a6p h GLU 430 N 0.00 0.68 -0.05 3.56 3.07 -1.99 0.80 114.58 120.66 3a6p h GLU 430 Ca -0.00 -0.16 -0.09 0.00 -0.50 0.00 0.00 59.36 58.61 3a6p h GLU 430 Cb 0.29 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3a6p h GLU 430 CO 0.02 0.69 -0.36 -0.44 -1.40 0.00 0.00 179.01 177.52 3a6p h ASP 431 N 0.55 0.11 0.15 1.42 3.32 -1.93 -1.86 116.42 118.18 3a6p h ASP 431 Ca 0.13 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3a6p h ASP 431 Cb 0.31 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3a6p h ASP 431 CO 0.00 0.47 -0.07 0.15 -1.72 0.00 0.00 179.24 178.07 3a6p h PHE 432 N 0.09 -0.18 -0.46 4.55 3.57 -0.87 -2.58 116.94 121.06 3a6p h PHE 432 Ca 0.01 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3a6p h PHE 432 Cb 0.69 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.40 3a6p h PHE 432 CO 0.01 0.25 -0.52 -0.91 -2.23 0.00 0.00 178.31 174.90 3a6p h ASN 433 N -0.71 -1.75 -0.99 0.41 2.35 0.65 0.22 115.58 115.76 3a6p h ASN 433 Ca -0.02 0.24 0.16 0.00 -0.55 0.00 0.00 56.30 56.13 3a6p h ASN 433 Cb 0.51 0.74 -0.09 0.00 0.05 0.00 0.00 38.32 39.53 3a6p h ASN 433 CO 0.03 -0.38 0.62 0.00 -1.65 0.00 0.00 177.43 176.05 3a6p h ALA 434 N 0.17 1.65 -0.04 -0.83 0.00 -1.41 0.30 119.26 119.10 3a6p h ALA 434 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3a6p h ALA 434 Cb 0.58 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3a6p h ALA 434 CO -0.62 0.04 -0.07 0.35 0.00 0.00 0.00 179.25 178.95 3a6p h PHE 435 N 0.84 0.14 0.25 0.00 3.57 -0.96 -2.88 116.94 117.90 3a6p h PHE 435 Ca 0.53 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.98 3a6p h PHE 435 Cb 0.72 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 3a6p h PHE 435 CO -0.00 0.64 -0.47 0.35 -2.23 0.00 0.00 178.31 176.59 3a6p h PHE 436 N -0.39 -1.33 -0.14 0.41 3.57 0.77 0.13 116.94 119.95 3a6p h PHE 436 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3a6p h PHE 436 Cb 0.63 0.55 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 3a6p h PHE 436 CO 0.11 -0.59 0.01 -0.91 -2.23 0.00 0.00 178.31 174.71 3a6p h ASN 437 N -0.80 -0.02 -0.08 0.41 2.35 -0.59 -0.66 115.58 116.19 3a6p h ASN 437 Ca -0.01 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3a6p h ASN 437 Cb 0.76 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 3a6p h ASN 437 CO -0.19 0.01 -0.10 0.77 -1.65 0.00 0.00 177.43 176.27 3a6p h SER 438 N 0.06 0.36 -0.70 5.81 4.64 -1.42 -2.06 113.55 120.23 3a6p h SER 438 Ca 0.06 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3a6p h SER 438 Cb 0.07 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 3a6p h SER 438 CO -0.10 0.50 0.43 -1.28 -0.87 0.00 0.00 176.83 175.52 3a6p h SER 439 N 0.35 0.83 0.42 4.97 0.87 -0.26 -3.05 113.55 117.69 3a6p h SER 439 Ca 0.07 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 3a6p h SER 439 Cb 0.40 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3a6p h SER 439 CO 0.02 0.64 -0.50 -0.09 -0.53 0.00 0.00 176.83 176.36 3a6p h ARG 440 N 0.95 0.10 -0.23 2.24 2.43 -0.45 0.16 114.38 119.58 3a6p h ARG 440 Ca 0.25 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3a6p h ARG 440 Cb -0.05 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.43 3a6p h ARG 440 CO -0.05 0.58 -0.23 0.00 -1.51 0.00 0.00 179.97 178.76 3a6p h ALA 441 N 1.41 -0.12 -0.34 2.80 0.00 -1.34 0.30 119.26 121.97 3a6p h ALA 441 Ca 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3a6p h ALA 441 Cb 0.92 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3a6p h ALA 441 CO 0.07 -0.66 -0.33 0.37 0.00 0.00 0.00 179.25 178.70 3a6p h GLN 442 N -0.24 0.77 -0.74 0.00 4.15 -1.39 -2.77 115.11 114.88 3a6p h GLN 442 Ca 0.13 -0.37 0.01 0.00 0.77 0.00 0.00 58.65 59.20 3a6p h GLN 442 Cb 0.44 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 3a6p h GLN 442 CO -0.36 0.99 0.49 0.37 -1.93 0.00 0.00 178.83 178.38 3a6p h GLN 443 N 0.64 0.95 -0.00 1.69 5.75 -0.53 -2.98 115.11 120.63 3a6p h GLN 443 Ca 0.07 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3a6p h GLN 443 Cb 0.87 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 3a6p h GLN 443 CO 0.08 0.63 -0.33 0.78 -2.65 0.00 0.00 178.83 177.33 3a6p h GLY 444 N 0.98 -1.23 0.90 2.39 0.00 -0.12 -1.48 103.07 104.49 3a6p h GLY 444 Ca 0.28 0.64 0.14 0.00 0.00 0.00 0.00 47.33 48.38 3a6p h GLY 444 CO -0.06 -0.35 0.42 0.83 0.00 0.00 0.00 176.54 177.38 3a6p h GLU 445 N -0.42 0.24 0.13 4.80 5.08 -1.57 -2.75 114.58 120.09 3a6p h GLU 445 Ca 0.01 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 3a6p h GLU 445 Cb 0.45 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3a6p h GLU 445 CO -0.23 0.16 -1.24 0.28 -1.00 0.00 0.00 179.01 176.99 3a6p h VAL 446 N 0.25 1.42 -0.70 3.13 2.07 -1.27 -3.07 116.25 118.06 3a6p h VAL 446 Ca 0.29 -2.82 -0.06 0.00 0.82 0.00 0.00 66.70 64.94 3a6p h VAL 446 Cb 0.82 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.40 3a6p h VAL 446 CO -0.06 0.83 0.22 -0.03 0.02 0.00 0.00 177.57 178.55 3a6p h MET 447 N 0.14 1.09 -0.47 1.57 1.85 -1.01 -2.96 114.93 115.14 3a6p h MET 447 Ca -0.15 -0.23 0.01 0.00 -0.61 0.00 0.00 59.70 58.72 3a6p h MET 447 Cb 1.93 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 33.78 3a6p h MET 447 CO 0.22 0.93 0.29 0.00 -0.40 0.00 0.00 176.91 177.95 3a6p h ARG 448 N 1.05 0.57 0.00 0.39 2.47 -1.50 -0.36 114.38 117.00 3a6p h ARG 448 Ca 0.23 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3a6p h ARG 448 Cb 0.30 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3a6p h ARG 448 CO -0.01 0.38 -0.02 -0.07 0.56 0.00 0.00 179.97 180.81 3a6p h LEU 449 N 0.59 0.00 0.07 3.04 3.38 -1.43 0.18 115.31 121.14 3a6p h LEU 449 Ca 0.18 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 3a6p h LEU 449 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3a6p h LEU 449 CO -0.07 0.02 -0.63 0.00 0.09 0.00 0.00 178.44 177.86 3a6p h ALA 450 N 1.98 0.02 -0.75 1.53 0.00 -1.13 -3.04 119.26 117.86 3a6p h ALA 450 Ca -0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 3a6p h ALA 450 Cb 0.10 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3a6p h ALA 450 CO 0.00 0.33 0.42 0.00 0.00 0.00 0.00 179.25 180.00 3a6p h ARG 452 N 1.04 0.00 0.00 0.00 2.43 -0.68 -1.93 114.38 115.24 3a6p h ARG 452 Ca 0.27 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 3a6p h ARG 452 Cb 0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3a6p h ARG 452 CO -0.04 0.00 -1.12 -0.07 -1.51 0.00 0.00 179.97 177.23 3a6p h LEU 453 N 0.00 0.00 -6.20 3.80 3.38 -1.27 -3.41 115.31 111.61 3a6p h LEU 453 Ca 0.16 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.58 3a6p h LEU 453 Cb 0.70 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.08 3a6p h LEU 453 CO -0.00 0.31 -0.96 -0.67 0.09 0.00 0.00 178.44 177.20 3a6p n ASP 454 N -2.83 -0.60 0.10 -0.43 4.64 -0.75 -5.02 116.55 111.66 3a6p n ASP 454 Ca -0.04 -2.47 -0.04 0.00 -1.38 0.00 0.00 54.79 50.86 3a6p n ASP 454 Cb 0.70 -0.39 0.11 0.00 -1.04 0.00 0.00 41.12 40.49 3a6p n ASP 454 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3a6p h PRO 455 N 5.31 0.14 0.80 -0.67 0.11 -1.75 -2.87 132.00 133.07 3a6p h PRO 455 Ca 0.22 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 3a6p h PRO 455 Cb 0.92 0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.06 3a6p h PRO 455 CO 0.36 0.76 -0.39 0.87 -0.21 0.00 0.00 178.00 179.39 3a6p h LYS 456 N 0.10 -1.04 -0.52 1.05 6.56 -1.95 -2.35 116.57 118.42 3a6p h LYS 456 Ca -0.01 0.07 0.10 0.00 -1.06 0.00 0.00 60.65 59.75 3a6p h LYS 456 Cb 1.19 0.24 -0.09 0.00 -0.57 0.00 0.00 32.23 33.00 3a6p h LYS 456 CO 0.10 -0.69 -0.01 1.15 -2.06 0.00 0.00 179.45 177.94 3a6p h THR 457 N -1.26 0.58 -0.68 -0.16 2.02 -1.99 -0.35 112.91 111.07 3a6p h THR 457 Ca -0.11 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.07 3a6p h THR 457 Cb 0.83 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 3a6p h THR 457 CO 0.18 0.02 0.41 0.77 0.37 0.00 0.00 175.52 177.27 3a6p h SER 458 N 0.10 0.66 0.10 4.18 4.64 -1.45 -1.10 113.55 120.68 3a6p h SER 458 Ca 0.26 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 3a6p h SER 458 Cb 0.40 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3a6p h SER 458 CO -0.45 0.44 -0.05 0.15 -0.87 0.00 0.00 176.83 176.06 3a6p h PHE 459 N 0.79 -0.13 -0.61 4.77 3.57 -1.11 -0.21 116.94 124.01 3a6p h PHE 459 Ca 0.28 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.91 3a6p h PHE 459 Cb 0.08 0.04 -0.11 0.00 2.79 0.00 0.00 35.95 38.75 3a6p h PHE 459 CO -0.05 0.06 -0.07 0.37 -2.23 0.00 0.00 178.31 176.39 3a6p h GLN 460 N -0.30 0.06 -0.03 1.11 4.15 -0.63 0.63 115.11 120.09 3a6p h GLN 460 Ca -0.01 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.27 3a6p h GLN 460 Cb 0.25 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3a6p h GLN 460 CO 0.02 0.04 -0.60 0.52 -1.93 0.00 0.00 178.83 176.88 3a6p h MET 461 N 0.06 0.11 -0.41 1.69 2.86 -1.18 0.10 114.93 118.17 3a6p h MET 461 Ca 0.31 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.75 3a6p h MET 461 Cb 0.49 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3a6p h MET 461 CO -0.57 0.67 -0.24 0.00 1.06 0.00 0.00 176.91 177.83 3a6p h ALA 462 N 1.31 0.80 0.32 6.32 0.00 -0.39 -2.31 119.26 125.30 3a6p h ALA 462 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3a6p h ALA 462 Cb 1.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3a6p h ALA 462 CO 0.08 0.65 -0.40 0.78 0.00 0.00 0.00 179.25 180.36 3a6p h GLY 463 N 0.93 -0.92 1.54 0.00 0.00 0.39 -1.92 103.07 103.10 3a6p h GLY 463 Ca 0.09 0.47 -0.07 0.00 0.00 0.00 0.00 47.33 47.82 3a6p h GLY 463 CO 0.06 -0.31 -0.09 0.83 0.00 0.00 0.00 176.54 177.04 3a6p h GLU 464 N -0.77 0.56 -0.13 4.80 4.39 -0.76 -1.23 114.58 121.44 3a6p h GLU 464 Ca -0.02 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.45 3a6p h GLU 464 Cb 0.71 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3a6p h GLU 464 CO -0.11 0.65 -0.26 2.35 -1.16 0.00 0.00 179.01 180.47 3a6p h TRP 465 N 0.52 0.26 0.61 4.33 2.91 -1.38 -1.58 115.95 121.62 3a6p h TRP 465 Ca 0.10 -0.05 -0.03 0.00 1.13 0.00 0.00 58.89 60.04 3a6p h TRP 465 Cb 0.47 -0.07 0.01 0.00 -0.51 0.00 0.00 29.16 29.06 3a6p h TRP 465 CO 0.02 0.49 -0.29 1.25 -1.03 0.00 0.00 178.44 178.87 3a6p h LEU 466 N 0.22 -0.69 -0.90 0.65 6.46 -0.42 -1.15 115.31 119.48 3a6p h LEU 466 Ca 0.03 -0.03 0.24 0.00 -0.12 0.00 0.00 57.88 58.01 3a6p h LEU 466 Cb 0.58 0.18 -0.14 0.00 -0.73 0.00 0.00 40.66 40.56 3a6p h LEU 466 CO 0.04 -0.35 0.32 0.11 -0.62 0.00 0.00 178.44 177.95 3a6p h LYS 467 N -1.07 0.27 0.09 1.25 1.57 -1.27 -1.23 116.57 116.17 3a6p h LYS 467 Ca -0.08 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3a6p h LYS 467 Cb 0.68 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3a6p h LYS 467 CO 0.14 0.18 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.23 3a6p h TYR 468 N 0.28 -0.11 -0.39 -1.35 3.20 -1.24 -3.09 116.97 114.27 3a6p h TYR 468 Ca 0.58 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.43 3a6p h TYR 468 Cb 1.16 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 3a6p h TYR 468 CO -0.19 0.08 0.17 1.96 -1.64 0.00 0.00 178.16 178.54 3a6p h GLN 469 N -0.29 0.54 0.00 1.82 1.08 -0.06 -2.72 115.11 115.48 3a6p h GLN 469 Ca -0.01 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3a6p h GLN 469 Cb 0.25 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3a6p h GLN 469 CO 0.02 0.44 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.25 3a6p h LEU 470 N 0.55 0.00 -5.59 1.46 3.38 -1.26 -3.29 115.31 110.56 3a6p h LEU 470 Ca 0.14 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.57 3a6p h LEU 470 Cb 0.09 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.43 3a6p h LEU 470 CO -0.02 0.02 -0.89 -1.54 0.09 0.00 0.00 178.44 176.10 3a6p n SER 471 N -3.43 2.87 -3.65 -0.43 3.41 -1.02 -5.09 113.62 106.28 3a6p n SER 471 Ca -0.03 -3.38 -0.12 0.00 -0.26 0.00 0.00 58.87 55.08 3a6p n SER 471 Cb 0.12 -0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 63.43 3a6p n SER 471 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3a6p s THR 472 N -3.59 0.00 0.00 6.66 2.01 -1.24 -5.04 115.64 114.44 3a6p s THR 472 Ca 0.45 -1.59 0.00 0.00 0.31 0.00 0.00 61.69 60.86 3a6p s THR 472 Cb 0.31 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 70.35 3a6p s THR 472 CO -0.11 0.00 0.00 0.33 -0.69 0.00 0.00 174.62 174.15 3a6p n PHE 473 N -0.46 -0.14 0.00 4.92 7.35 -1.26 -5.11 117.46 122.77 3a6p n PHE 473 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3a6p n PHE 473 Cb 0.62 0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.48 3a6p n PHE 473 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3a6p n SER 491 N -3.83 0.00 -1.75 -2.13 2.88 -1.26 -5.10 113.62 102.42 3a6p n SER 491 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 3a6p n SER 491 Cb 0.00 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 63.67 3a6p n SER 491 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3a6p n LEU 492 N 0.24 5.58 0.00 2.46 4.77 -1.26 -4.71 117.00 124.08 3a6p n LEU 492 Ca 0.00 -3.57 0.00 0.00 -0.03 0.00 0.00 56.01 52.41 3a6p n LEU 492 Cb 0.00 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 3a6p n LEU 492 CO 0.00 1.06 0.00 0.00 -1.33 0.00 0.00 177.39 177.12 3a6p s SER 494 N -1.60 -0.05 0.00 0.00 0.15 -1.26 -5.13 113.70 105.82 3a6p s SER 494 Ca 0.00 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3a6p s SER 494 Cb 0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 3a6p s SER 494 CO 0.00 -0.44 0.00 0.52 1.20 0.00 0.00 173.24 174.52 3a6p n VAL 495 N 1.22 0.00 -2.00 4.45 0.31 -1.26 -4.93 118.33 116.12 3a6p n VAL 495 Ca -0.22 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.13 3a6p n VAL 495 Cb 0.56 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.51 3a6p n VAL 495 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3a6p n PHE 496 N -0.48 0.00 -1.10 3.52 3.01 -1.26 -4.96 117.46 116.19 3a6p n PHE 496 Ca 0.00 -0.18 -0.37 0.00 1.01 0.00 0.00 57.45 57.91 3a6p n PHE 496 Cb 0.00 -0.08 0.04 0.00 -0.01 0.00 0.00 39.48 39.43 3a6p n PHE 496 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3a6p n SER 497 N -0.04 -4.59 0.11 4.37 7.64 -1.26 -4.73 113.62 115.12 3a6p n SER 497 Ca 0.02 0.39 0.19 0.00 1.01 0.00 0.00 58.87 60.49 3a6p n SER 497 Cb 0.77 -0.85 0.76 0.00 -1.01 0.00 0.00 64.21 63.87 3a6p n SER 497 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a6p h PRO 498 N -0.62 0.00 0.19 1.43 0.13 -1.99 -2.84 132.00 128.30 3a6p h PRO 498 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 3a6p h PRO 498 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3a6p h PRO 498 CO 0.32 0.00 -0.09 0.66 -0.23 0.00 0.00 178.00 178.66 3a6p h SER 499 N 0.00 -0.22 -0.61 1.44 4.64 -1.99 -1.52 113.55 115.29 3a6p h SER 499 Ca 0.17 -0.30 0.06 0.00 -0.47 0.00 0.00 61.79 61.24 3a6p h SER 499 Cb 0.86 0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.95 3a6p h SER 499 CO -0.00 0.25 0.33 0.15 -0.87 0.00 0.00 176.83 176.68 3a6p h PHE 500 N -0.75 0.60 -0.57 4.77 3.57 -1.85 0.26 116.94 122.97 3a6p h PHE 500 Ca -0.03 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3a6p h PHE 500 Cb 0.51 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 3a6p h PHE 500 CO 0.06 0.28 0.16 0.28 -2.23 0.00 0.00 178.31 176.87 3a6p h VAL 501 N 0.61 1.23 -0.21 1.41 2.07 -1.59 0.55 116.25 120.32 3a6p h VAL 501 Ca 0.27 -0.80 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 3a6p h VAL 501 Cb 0.18 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3a6p h VAL 501 CO -0.18 0.30 -0.44 -0.61 0.02 0.00 0.00 177.57 176.66 3a6p h GLN 502 N 0.84 0.52 -0.24 1.57 5.75 -0.32 -2.97 115.11 120.26 3a6p h GLN 502 Ca 0.19 -0.28 -0.15 0.00 -0.15 0.00 0.00 58.65 58.26 3a6p h GLN 502 Cb 0.27 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3a6p h GLN 502 CO -0.01 0.86 -0.43 -1.49 -2.65 0.00 0.00 178.83 175.12 3a6p h TRP 503 N 0.42 0.89 -0.32 3.99 4.06 0.26 -1.74 115.95 123.52 3a6p h TRP 503 Ca 0.03 -0.32 -0.07 0.00 2.06 0.00 0.00 58.89 60.60 3a6p h TRP 503 Cb 0.94 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.92 3a6p h TRP 503 CO 0.04 1.10 -0.10 1.49 -3.56 0.00 0.00 178.44 177.41 3a6p h GLU 504 N 0.44 0.53 -0.17 0.49 4.81 -0.98 0.86 114.58 120.56 3a6p h GLU 504 Ca 0.01 -0.15 -0.22 0.00 -0.13 0.00 0.00 59.36 58.88 3a6p h GLU 504 Cb 1.03 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.36 3a6p h GLU 504 CO 0.10 0.63 -0.75 0.00 -0.73 0.00 0.00 179.01 178.25 3a6p h ALA 505 N 1.41 0.34 0.08 2.92 0.00 -1.48 -2.74 119.26 119.80 3a6p h ALA 505 Ca 0.09 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3a6p h ALA 505 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3a6p h ALA 505 CO 0.03 0.69 -0.04 1.98 0.00 0.00 0.00 179.25 181.91 3a6p h MET 506 N 0.55 -0.10 -0.12 0.00 1.85 -0.87 -1.89 114.93 114.34 3a6p h MET 506 Ca -0.04 0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.07 3a6p h MET 506 Cb 1.38 0.02 -0.04 0.00 0.43 0.00 0.00 31.60 33.39 3a6p h MET 506 CO 0.16 0.16 -0.32 1.15 -0.40 0.00 0.00 176.91 177.65 3a6p h THR 507 N -0.36 0.00 -1.02 -0.77 2.02 -0.91 -0.39 112.91 111.48 3a6p h THR 507 Ca -0.01 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.50 3a6p h THR 507 Cb 0.31 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.57 3a6p h THR 507 CO 0.02 0.00 0.59 0.25 0.37 0.00 0.00 175.52 176.74 3a6p h LEU 508 N -0.31 0.50 -0.02 2.58 5.85 -1.49 0.16 115.31 122.59 3a6p h LEU 508 Ca 0.02 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3a6p h LEU 508 Cb 0.38 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3a6p h LEU 508 CO -0.28 -0.14 -0.02 0.15 -0.34 0.00 0.00 178.44 177.81 3a6p h PHE 509 N 0.31 0.05 0.60 1.25 3.57 -0.81 -2.75 116.94 119.16 3a6p h PHE 509 Ca 0.74 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.20 3a6p h PHE 509 Cb 1.73 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.46 3a6p h PHE 509 CO -0.01 0.53 -0.35 1.25 -2.23 0.00 0.00 178.31 177.50 3a6p h LEU 510 N -0.44 -0.88 -0.60 0.59 5.85 0.92 0.39 115.31 121.14 3a6p h LEU 510 Ca 0.00 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.88 3a6p h LEU 510 Cb 0.52 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 3a6p h LEU 510 CO 0.00 -0.56 0.12 -0.08 -0.34 0.00 0.00 178.44 177.59 3a6p h GLU 511 N -0.90 0.24 -0.73 1.25 4.81 -1.04 0.98 114.58 119.21 3a6p h GLU 511 Ca -0.07 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.24 3a6p h GLU 511 Cb 0.72 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.97 3a6p h GLU 511 CO 0.09 0.16 0.36 1.03 -0.73 0.00 0.00 179.01 179.92 3a6p h SER 512 N 0.25 0.46 -0.32 1.04 0.87 -1.21 -2.78 113.55 111.86 3a6p h SER 512 Ca 0.32 0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.77 3a6p h SER 512 Cb 0.47 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3a6p h SER 512 CO -0.41 0.25 -0.48 0.58 -0.53 0.00 0.00 176.83 176.24 3a6p h VAL 513 N 0.60 1.28 -0.18 2.23 2.07 0.52 -2.95 116.25 119.82 3a6p h VAL 513 Ca 0.36 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 3a6p h VAL 513 Cb 0.41 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3a6p h VAL 513 CO -0.28 0.55 -0.01 0.40 0.02 0.00 0.00 177.57 178.24 3a6p h ILE 514 N 0.68 1.26 -0.46 4.57 1.08 -0.26 -1.18 117.51 123.20 3a6p h ILE 514 Ca 0.03 -0.90 -0.05 0.00 -0.39 0.00 0.00 64.86 63.55 3a6p h ILE 514 Cb 1.09 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 3a6p h ILE 514 CO 0.11 0.27 0.08 0.74 -0.69 0.00 0.00 178.15 178.65 3a6p h THR 515 N 0.06 1.21 -0.52 -0.27 2.02 -1.58 0.71 112.91 114.54 3a6p h THR 515 Ca 0.05 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.32 3a6p h THR 515 Cb 0.41 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3a6p h THR 515 CO 0.01 0.29 -0.09 -0.61 0.37 0.00 0.00 175.52 175.49 3a6p h GLN 516 N 0.68 0.95 -0.27 6.66 5.75 -1.48 -3.26 115.11 124.15 3a6p h GLN 516 Ca 0.15 -0.33 -0.14 0.00 -0.15 0.00 0.00 58.65 58.18 3a6p h GLN 516 Cb 0.31 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 3a6p h GLN 516 CO 0.00 0.99 -0.40 1.98 -2.65 0.00 0.00 178.83 178.75 3a6p h MET 517 N 0.86 0.64 -1.02 1.69 4.05 0.37 -2.14 114.93 119.38 3a6p h MET 517 Ca 0.14 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 3a6p h MET 517 Cb 0.63 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 3a6p h MET 517 CO 0.04 0.93 0.00 1.19 0.23 0.00 0.00 176.91 179.30 3a6p n PHE 518 N -4.03 0.00 0.00 1.39 3.01 -0.35 -1.98 117.46 115.50 3a6p n PHE 518 Ca -0.02 -0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.14 3a6p n PHE 518 Cb 0.52 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 3a6p n PHE 518 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3a6p n ARG 519 N 0.35 2.22 -0.12 -1.08 1.74 -0.82 -4.93 116.66 114.02 3a6p n ARG 519 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 3a6p n ARG 519 Cb 0.39 -0.77 -0.09 0.00 -1.02 0.00 0.00 32.46 30.97 3a6p n ARG 519 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3a6p n THR 520 N -1.28 1.52 -2.20 0.55 -2.24 -1.07 -4.91 114.28 104.66 3a6p n THR 520 Ca 0.00 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 3a6p n THR 520 Cb 0.25 -2.01 -0.03 0.00 -2.10 0.00 0.00 70.33 66.44 3a6p n THR 520 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a6p s LEU 521 N -7.67 4.38 1.03 3.22 1.43 -0.84 -4.98 118.68 115.24 3a6p s LEU 521 Ca -0.35 2.31 -0.13 0.00 -1.03 0.00 0.00 54.13 54.93 3a6p s LEU 521 Cb 0.11 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.87 3a6p s LEU 521 CO 0.48 -0.62 0.61 0.59 0.23 0.00 0.00 176.35 177.64 3a6p n ASN 522 N 3.80 -1.51 0.15 2.29 3.02 -1.26 -4.78 115.26 116.96 3a6p n ASN 522 Ca 0.11 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 3a6p n ASN 522 Cb 0.43 -1.23 0.01 0.00 -0.61 0.00 0.00 39.78 38.38 3a6p n ASN 522 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3a6p n ARG 523 N -3.02 0.01 0.00 3.52 5.12 -1.26 -2.07 116.66 118.96 3a6p n ARG 523 Ca 0.06 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 3a6p n ARG 523 Cb 0.55 -2.25 0.00 0.00 -1.16 0.00 0.00 32.46 29.60 3a6p n ARG 523 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3a6p n GLU 524 N -1.68 0.60 0.00 5.56 4.71 -1.26 -4.70 120.64 123.87 3a6p n GLU 524 Ca -0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.24 3a6p n GLU 524 Cb 0.71 -0.95 0.51 0.00 -1.01 0.00 0.00 31.44 30.70 3a6p n GLU 524 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3a6p n GLU 525 N -1.38 0.96 -2.51 3.49 4.71 -0.88 -4.86 120.64 120.17 3a6p n GLU 525 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 3a6p n GLU 525 Cb 0.00 -1.28 -0.02 0.00 -1.01 0.00 0.00 31.44 29.13 3a6p n GLU 525 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3a6p s ILE 526 N -2.00 4.43 0.00 -3.67 -1.09 -1.26 -4.89 121.20 112.72 3a6p s ILE 526 Ca 0.26 1.73 -0.13 0.00 -2.23 0.00 0.00 60.65 60.27 3a6p s ILE 526 Cb 0.12 -4.11 -0.16 0.00 -1.58 0.00 0.00 42.46 36.72 3a6p s ILE 526 CO 0.20 -0.13 0.97 -0.81 -1.23 0.00 0.00 174.94 173.93 3a6p n PRO 527 N 6.32 0.00 -0.06 2.79 -0.04 -1.26 -4.64 135.00 138.10 3a6p n PRO 527 Ca 0.13 -0.44 -0.10 0.00 -0.04 0.00 0.00 63.50 63.05 3a6p n PRO 527 Cb 0.45 -1.66 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 3a6p n PRO 527 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3a6p h VAL 528 N 4.93 1.11 -0.47 0.52 2.07 -1.96 0.20 116.25 122.66 3a6p h VAL 528 Ca 0.11 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 3a6p h VAL 528 Cb 0.56 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3a6p h VAL 528 CO 1.16 0.11 0.13 0.78 0.02 0.00 0.00 177.57 179.77 3a6p h ASN 529 N 0.28 0.70 -0.18 0.57 4.21 -2.00 0.11 115.58 119.27 3a6p h ASN 529 Ca 0.08 -0.22 -0.12 0.00 1.21 0.00 0.00 56.30 57.25 3a6p h ASN 529 Cb 0.06 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 3a6p h ASN 529 CO -0.01 0.74 -0.29 0.44 -1.29 0.00 0.00 177.43 177.01 3a6p h ASP 530 N 0.62 0.68 -0.37 5.81 3.32 -1.93 -1.65 116.42 122.90 3a6p h ASP 530 Ca 0.15 -0.26 0.07 0.00 0.02 0.00 0.00 57.03 57.00 3a6p h ASP 530 Cb 0.30 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 39.58 3a6p h ASP 530 CO -0.00 0.94 -0.43 1.23 -1.72 0.00 0.00 179.24 179.25 3a6p h GLY 531 N 0.99 -0.59 2.00 2.75 0.00 0.42 -1.94 103.07 106.70 3a6p h GLY 531 Ca 0.07 0.55 -0.09 0.00 0.00 0.00 0.00 47.33 47.86 3a6p h GLY 531 CO 0.06 -0.18 -0.44 0.16 0.00 0.00 0.00 176.54 176.14 3a6p h ILE 532 N -0.35 0.82 -0.08 2.60 -0.00 -0.68 -0.83 117.51 118.99 3a6p h ILE 532 Ca 0.13 -1.96 0.04 0.00 -0.00 0.00 0.00 64.86 63.07 3a6p h ILE 532 Cb 0.59 2.26 -0.05 0.00 -0.00 0.00 0.00 36.82 39.61 3a6p h ILE 532 CO -0.55 0.43 -0.27 -0.33 -0.00 0.00 0.00 178.15 177.43 3a6p h GLU 533 N 0.00 -0.36 -0.32 0.16 4.39 -1.12 0.38 114.58 117.71 3a6p h GLU 533 Ca -0.00 0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 3a6p h GLU 533 Cb 1.22 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3a6p h GLU 533 CO 0.06 -0.24 -0.47 -0.07 -1.16 0.00 0.00 179.01 177.13 3a6p h LEU 534 N -0.37 0.96 -0.84 1.33 3.38 -1.00 -2.41 115.31 116.36 3a6p h LEU 534 Ca 0.09 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 57.66 3a6p h LEU 534 Cb 0.50 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3a6p h LEU 534 CO -0.29 1.27 0.49 0.25 0.09 0.00 0.00 178.44 180.25 3a6p h LEU 535 N 0.69 0.72 -0.30 1.67 6.46 -0.86 0.99 115.31 124.69 3a6p h LEU 535 Ca 0.04 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 3a6p h LEU 535 Cb 1.07 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 3a6p h LEU 535 CO 0.11 0.43 0.00 1.56 -0.62 0.00 0.00 178.44 179.92 3a6p h GLN 536 N 0.84 0.53 -0.71 1.25 4.20 -0.03 -0.27 115.11 120.92 3a6p h GLN 536 Ca 0.39 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 3a6p h GLN 536 Cb 0.31 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3a6p h GLN 536 CO -0.23 0.67 0.28 0.52 -0.67 0.00 0.00 178.83 179.41 3a6p h MET 537 N 0.33 1.05 -0.60 1.46 2.86 -0.88 0.24 114.93 119.38 3a6p h MET 537 Ca 0.09 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3a6p h MET 537 Cb 0.43 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3a6p h MET 537 CO 0.01 0.85 0.28 0.28 1.06 0.00 0.00 176.91 179.39 3a6p h VAL 538 N 1.03 1.22 -0.08 -2.22 2.07 -0.65 -1.47 116.25 116.14 3a6p h VAL 538 Ca 0.24 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3a6p h VAL 538 Cb 0.19 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3a6p h VAL 538 CO -0.02 0.25 0.04 -0.07 0.02 0.00 0.00 177.57 177.79 3a6p h LEU 539 N 0.83 0.11 -0.40 2.57 3.38 0.35 -2.92 115.31 119.22 3a6p h LEU 539 Ca 0.21 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3a6p h LEU 539 Cb 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3a6p h LEU 539 CO -0.02 0.22 0.00 0.59 0.09 0.00 0.00 178.44 179.31 3a6p n ASN 540 N -4.95 0.54 -4.78 -0.43 5.03 0.71 -4.76 115.26 106.61 3a6p n ASN 540 Ca -0.06 0.61 -0.34 0.00 0.87 0.00 0.00 54.58 55.66 3a6p n ASN 540 Cb 0.10 -0.73 0.01 0.00 -1.02 0.00 0.00 39.78 38.14 3a6p n ASN 540 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3a6p s PHE 541 N -3.20 2.71 -0.01 3.10 5.36 -0.57 -5.05 117.98 120.33 3a6p s PHE 541 Ca 0.07 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.58 3a6p s PHE 541 Cb 0.10 -3.21 0.01 0.00 -0.34 0.00 0.00 43.02 39.58 3a6p s PHE 541 CO 0.42 -1.50 -0.00 0.34 -1.46 0.00 0.00 175.22 173.01 3a6p s ASP 542 N -2.11 0.11 -0.08 6.13 -1.08 -1.26 -5.02 116.67 113.36 3a6p s ASP 542 Ca 0.70 -0.01 -0.08 0.00 -0.52 0.00 0.00 52.55 52.64 3a6p s ASP 542 Cb -0.22 -0.03 0.02 0.00 -1.46 0.00 0.00 42.92 41.23 3a6p s ASP 542 CO 0.31 -0.02 0.22 -0.89 0.52 0.00 0.00 175.17 175.31 3a6p s THR 543 N 0.23 0.01 -2.41 1.71 2.01 -1.26 -4.99 115.64 110.94 3a6p s THR 543 Ca -0.02 -0.05 0.22 0.00 0.31 0.00 0.00 61.69 62.15 3a6p s THR 543 Cb -0.03 -0.33 0.43 0.00 0.01 0.00 0.00 72.50 72.58 3a6p s THR 543 CO -0.01 -0.03 1.45 2.29 -0.69 0.00 0.00 174.62 177.64 3a6p n LYS 544 N 2.84 2.19 -3.61 4.92 2.85 -1.26 -4.88 118.16 121.21 3a6p n LYS 544 Ca -0.13 -1.79 -0.38 0.00 -1.05 0.00 0.00 58.31 54.95 3a6p n LYS 544 Cb 0.58 -1.46 -0.11 0.00 -0.65 0.00 0.00 35.03 33.39 3a6p n LYS 544 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3a6p s ASP 545 N -1.53 5.84 0.16 -5.58 2.15 -1.26 -4.74 116.67 111.71 3a6p s ASP 545 Ca 0.36 -0.23 -0.16 0.00 0.43 0.00 0.00 52.55 52.95 3a6p s ASP 545 Cb 0.20 -2.08 0.10 0.00 -0.30 0.00 0.00 42.92 40.84 3a6p s ASP 545 CO 0.29 -0.12 1.71 -0.65 -0.17 0.00 0.00 175.17 176.23 3a6p h PRO 546 N 8.38 0.13 0.00 4.34 0.11 -1.91 -0.21 132.00 142.84 3a6p h PRO 546 Ca -0.34 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 3a6p h PRO 546 Cb 1.17 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3a6p h PRO 546 CO 0.59 0.08 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.19 3a6p h LEU 547 N 0.13 0.00 0.22 2.35 4.07 -1.92 -1.63 115.31 118.54 3a6p h LEU 547 Ca 0.19 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.80 3a6p h LEU 547 Cb 0.25 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.02 3a6p h LEU 547 CO -0.29 0.20 -1.60 0.40 -1.08 0.00 0.00 178.44 176.06 3a6p h ILE 548 N 0.00 1.13 -0.86 1.22 1.08 -1.53 -3.18 117.51 115.37 3a6p h ILE 548 Ca -0.00 -2.63 0.05 0.00 -0.39 0.00 0.00 64.86 61.89 3a6p h ILE 548 Cb 0.38 2.92 -0.05 0.00 -3.07 0.00 0.00 36.82 37.00 3a6p h ILE 548 CO 0.03 0.83 0.57 0.25 -0.69 0.00 0.00 178.15 179.13 3a6p h LEU 549 N 0.13 0.90 -1.37 1.44 5.85 -0.91 -0.09 115.31 121.26 3a6p h LEU 549 Ca -0.30 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3a6p h LEU 549 Cb 2.14 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.95 3a6p h LEU 549 CO 0.23 0.60 0.07 -1.28 -0.34 0.00 0.00 178.44 177.72 3a6p h SER 550 N 1.04 0.45 0.42 1.25 0.87 -1.33 0.49 113.55 116.73 3a6p h SER 550 Ca 0.35 -0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.69 3a6p h SER 550 Cb 0.09 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3a6p h SER 550 CO -0.11 0.47 -0.70 0.00 -0.53 0.00 0.00 176.83 175.95 3a6p h VAL 552 N 0.17 0.55 -0.86 0.00 2.07 0.95 0.04 116.25 119.17 3a6p h VAL 552 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 3a6p h VAL 552 Cb 1.25 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 3a6p h VAL 552 CO 0.11 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.14 3a6p h LEU 553 N -0.42 0.75 -0.83 2.57 3.38 -0.26 0.21 115.31 120.70 3a6p h LEU 553 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3a6p h LEU 553 Cb 0.41 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3a6p h LEU 553 CO -0.06 0.43 0.47 0.74 0.09 0.00 0.00 178.44 180.10 3a6p h THR 554 N 0.86 1.24 0.00 0.22 2.02 -1.33 -2.17 112.91 113.75 3a6p h THR 554 Ca 0.41 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 3a6p h THR 554 Cb 0.36 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3a6p h THR 554 CO -0.24 0.27 -0.30 0.78 0.37 0.00 0.00 175.52 176.39 3a6p h ASN 555 N 1.16 0.00 -0.18 4.18 2.35 0.11 0.73 115.58 123.93 3a6p h ASN 555 Ca 0.30 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.96 3a6p h ASN 555 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 3a6p h ASN 555 CO -0.05 0.30 -0.24 0.58 -1.65 0.00 0.00 177.43 176.37 3a6p h VAL 556 N 0.00 1.34 -0.42 2.81 2.07 -0.38 -1.61 116.25 120.06 3a6p h VAL 556 Ca -0.00 -1.44 -0.13 0.00 0.82 0.00 0.00 66.70 65.94 3a6p h VAL 556 Cb 0.66 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3a6p h VAL 556 CO 0.04 0.44 -0.26 0.28 0.02 0.00 0.00 177.57 178.08 3a6p h SER 557 N 0.13 0.92 -0.46 0.57 0.02 -1.09 0.33 113.55 113.97 3a6p h SER 557 Ca 0.02 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 3a6p h SER 557 Cb 0.80 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 3a6p h SER 557 CO 0.06 1.13 0.29 0.00 -1.14 0.00 0.00 176.83 177.16 3a6p h ALA 558 N 0.93 0.59 0.00 3.77 0.00 -0.90 -2.65 119.26 121.00 3a6p h ALA 558 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a6p h ALA 558 Cb 0.82 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3a6p h ALA 558 CO 0.07 -0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.60 3a6p n LEU 559 N -4.80 0.00 0.15 0.00 4.77 -0.61 -4.29 117.00 112.23 3a6p n LEU 559 Ca 0.02 0.24 0.02 0.00 -0.03 0.00 0.00 56.01 56.26 3a6p n LEU 559 Cb 0.05 -0.24 0.37 0.00 -2.33 0.00 0.00 43.42 41.27 3a6p n LEU 559 CO 0.33 -0.01 0.81 0.15 -1.33 0.00 0.00 177.39 177.34 3a6p h PHE 560 N 0.00 0.15 -0.13 -1.77 3.57 0.00 -2.05 116.94 116.72 3a6p h PHE 560 Ca 0.00 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.51 3a6p h PHE 560 Cb 0.22 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3a6p h PHE 560 CO 0.00 0.38 0.28 -1.00 -2.23 0.00 0.00 178.31 175.74 3a6p h PRO 561 N 0.13 0.00 -0.81 6.41 0.13 -1.79 -1.71 132.00 134.36 3a6p h PRO 561 Ca 0.02 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.22 3a6p h PRO 561 Cb 0.51 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.58 3a6p h PRO 561 CO 0.04 0.00 0.53 0.74 -0.23 0.00 0.00 178.00 179.08 3a6p h PHE 562 N 0.00 0.88 0.00 1.56 -1.00 -1.69 -2.58 116.94 114.10 3a6p h PHE 562 Ca 0.06 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.86 3a6p h PHE 562 Cb 0.62 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.89 3a6p h PHE 562 CO 0.00 0.45 0.23 0.28 -1.61 0.00 0.00 178.31 177.66 3a6p h VAL 563 N 0.86 0.00 -0.87 -0.55 2.07 -1.52 -0.17 116.25 116.07 3a6p h VAL 563 Ca 0.36 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.87 3a6p h VAL 563 Cb 0.28 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3a6p h VAL 563 CO -0.13 0.00 0.51 0.74 0.02 0.00 0.00 177.57 178.71 3a6p h THR 564 N 0.00 1.25 0.00 2.57 2.02 -1.64 -2.32 112.91 114.79 3a6p h THR 564 Ca 0.00 -0.56 -0.19 0.00 0.77 0.00 0.00 66.41 66.43 3a6p h THR 564 Cb 0.46 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3a6p h THR 564 CO 0.00 0.26 -0.93 1.88 0.37 0.00 0.00 175.52 177.10 3a6p h TYR 565 N 1.21 0.00 -2.29 3.16 -1.99 -1.22 -3.40 116.97 112.44 3a6p h TYR 565 Ca 0.31 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.46 3a6p h TYR 565 Cb -0.02 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 38.31 3a6p h TYR 565 CO 0.01 0.88 -0.88 0.54 -0.00 0.00 0.00 178.16 178.71 3a6p n ARG 566 N -3.30 1.19 0.21 4.88 5.12 -0.92 -4.95 116.66 118.90 3a6p n ARG 566 Ca -0.01 -3.74 0.15 0.00 -1.93 0.00 0.00 57.85 52.31 3a6p n ARG 566 Cb 0.90 -1.73 0.75 0.00 -1.16 0.00 0.00 32.46 31.22 3a6p n ARG 566 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3a6p h PRO 567 N 4.63 0.00 -0.40 5.56 0.11 -1.68 -1.70 132.00 138.52 3a6p h PRO 567 Ca 0.16 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.38 3a6p h PRO 567 Cb 0.82 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 3a6p h PRO 567 CO 0.57 0.00 0.65 0.93 -0.21 0.00 0.00 178.00 179.94 3a6p h GLU 568 N 0.00 0.00 0.00 1.05 5.08 -1.92 -2.49 114.58 116.29 3a6p h GLU 568 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a6p h GLU 568 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3a6p h GLU 568 CO 0.00 0.00 -0.49 0.74 -1.00 0.00 0.00 179.01 178.26 3a6p h PHE 569 N 0.00 0.00 -0.64 4.33 -1.00 -1.65 -3.38 116.94 114.59 3a6p h PHE 569 Ca 0.19 0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.08 3a6p h PHE 569 Cb 1.48 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.92 3a6p h PHE 569 CO 0.00 0.00 -0.36 -0.07 -1.61 0.00 0.00 178.31 176.27 3a6p h LEU 570 N 0.00 -1.27 -0.66 1.54 3.38 -1.67 -1.24 115.31 115.38 3a6p h LEU 570 Ca 0.00 0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.32 3a6p h LEU 570 Cb 0.76 0.62 -0.08 0.00 0.09 0.00 0.00 40.66 42.05 3a6p h LEU 570 CO 0.00 -0.31 0.26 -0.65 0.09 0.00 0.00 178.44 177.84 3a6p h PRO 571 N -0.15 0.43 -0.23 1.13 0.11 -1.82 0.32 132.00 131.78 3a6p h PRO 571 Ca 0.24 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.35 3a6p h PRO 571 Cb 0.56 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 3a6p h PRO 571 CO -0.72 0.29 0.05 1.96 -0.21 0.00 0.00 178.00 179.36 3a6p h GLN 572 N 0.45 0.14 -0.05 1.05 4.20 -1.54 0.12 115.11 119.48 3a6p h GLN 572 Ca 0.34 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.08 3a6p h GLN 572 Cb 0.44 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 3a6p h GLN 572 CO -0.33 0.09 -0.37 0.28 -0.67 0.00 0.00 178.83 177.84 3a6p h VAL 573 N 0.14 0.23 -0.89 -0.54 2.07 -0.35 0.49 116.25 117.40 3a6p h VAL 573 Ca 0.11 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.79 3a6p h VAL 573 Cb 0.10 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 3a6p h VAL 573 CO -0.14 0.00 0.58 -0.26 0.02 0.00 0.00 177.57 177.77 3a6p h PHE 574 N -0.49 0.75 -0.31 1.57 0.05 -0.06 -2.13 116.94 116.32 3a6p h PHE 574 Ca 0.07 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.83 3a6p h PHE 574 Cb 0.60 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.30 3a6p h PHE 574 CO -0.40 0.25 0.00 0.77 -0.18 0.00 0.00 178.31 178.75 3a6p h SER 575 N 0.61 0.53 -0.84 2.17 0.02 0.25 -0.27 113.55 116.01 3a6p h SER 575 Ca 0.46 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3a6p h SER 575 Cb 0.85 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 3a6p h SER 575 CO -0.21 0.71 0.55 0.50 -1.14 0.00 0.00 176.83 177.24 3a6p h LYS 576 N 0.34 1.12 0.00 3.45 1.63 -0.30 -1.75 116.57 121.06 3a6p h LYS 576 Ca 0.09 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3a6p h LYS 576 Cb 0.43 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3a6p h LYS 576 CO 0.02 0.75 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.65 3a6p h LEU 577 N 1.15 0.00 -0.87 5.20 3.38 -1.19 -3.17 115.31 119.81 3a6p h LEU 577 Ca 0.31 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3a6p h LEU 577 Cb -0.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3a6p h LEU 577 CO -0.06 0.85 0.50 -0.26 0.09 0.00 0.00 178.44 179.56 3a6p h PHE 578 N -1.00 1.17 -0.22 1.13 -1.00 -1.09 -1.96 116.94 113.96 3a6p h PHE 578 Ca -0.01 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.79 3a6p h PHE 578 Cb 0.68 -0.38 -0.03 0.00 3.61 0.00 0.00 35.95 39.83 3a6p h PHE 578 CO 0.18 0.79 0.01 0.66 -1.61 0.00 0.00 178.31 178.33 3a6p h SER 579 N 1.20 -0.07 -0.09 2.17 4.64 -1.44 -0.56 113.55 119.39 3a6p h SER 579 Ca 0.31 0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.70 3a6p h SER 579 Cb -0.01 0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3a6p h SER 579 CO -0.05 -0.01 0.22 0.28 -0.87 0.00 0.00 176.83 176.40 3a6p h SER 580 N 0.08 0.00 -0.13 4.97 0.02 -1.35 -1.95 113.55 115.19 3a6p h SER 580 Ca 0.10 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 3a6p h SER 580 Cb 0.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3a6p h SER 580 CO -0.17 0.00 -0.47 0.58 -1.14 0.00 0.00 176.83 175.62 3a6p h VAL 581 N 0.00 1.30 -0.02 2.27 2.07 -0.43 -3.33 116.25 118.11 3a6p h VAL 581 Ca 0.04 -1.67 -0.05 0.00 0.82 0.00 0.00 66.70 65.84 3a6p h VAL 581 Cb 0.49 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3a6p h VAL 581 CO -0.00 0.53 -0.19 0.74 0.02 0.00 0.00 177.57 178.67 3a6p h THR 582 N 0.55 1.52 -2.68 2.57 2.02 -1.25 -3.45 112.91 112.18 3a6p h THR 582 Ca 0.03 -1.81 0.01 0.00 0.77 0.00 0.00 66.41 65.41 3a6p h THR 582 Cb 1.03 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 3a6p h THR 582 CO 0.10 0.49 0.26 0.33 0.37 0.00 0.00 175.52 177.07 3a6p n PHE 583 N -4.56 -1.89 -3.96 3.16 -0.00 -1.25 -4.97 117.46 103.99 3a6p n PHE 583 Ca -0.09 -1.35 -0.29 0.00 -0.00 0.00 0.00 57.45 55.72 3a6p n PHE 583 Cb 0.46 0.67 -0.16 0.00 -0.00 0.00 0.00 39.48 40.45 3a6p n PHE 583 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3a6p s GLU 584 N -2.06 1.87 0.00 -4.13 2.56 -1.26 -4.68 118.70 110.99 3a6p s GLU 584 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 54.97 54.52 3a6p s GLU 584 Cb -0.04 -2.10 0.00 0.00 2.00 0.00 0.00 34.13 34.00 3a6p s GLU 584 CO 0.08 -0.35 0.32 0.25 -0.56 0.00 0.00 175.26 175.00 3a6p n THR 585 N 4.80 0.31 -0.15 -1.70 -2.24 -1.26 -3.01 114.28 111.03 3a6p n THR 585 Ca -0.14 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 3a6p n THR 585 Cb 0.48 -0.64 0.04 0.00 -2.10 0.00 0.00 70.33 68.12 3a6p n THR 585 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3a6p h VAL 586 N 0.65 0.57 0.00 2.28 -1.51 -1.97 -3.47 116.25 112.80 3a6p h VAL 586 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 3a6p h VAL 586 Cb 0.32 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 3a6p h VAL 586 CO 0.00 0.01 0.00 1.21 -1.23 0.00 0.00 177.57 177.56 3a6p n GLU 587 N -5.29 0.00 0.00 5.19 2.13 -1.16 -5.08 120.64 116.43 3a6p n GLU 587 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 3a6p n GLU 587 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 3a6p n GLU 587 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3a6p n GLU 588 N -0.71 0.00 -0.48 5.31 4.71 -1.26 -4.63 120.64 123.59 3a6p n GLU 588 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 3a6p n GLU 588 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 3a6p n GLU 588 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3a6p n SER 589 N 0.00 3.73 0.00 1.62 7.64 -1.26 -3.53 113.62 121.82 3a6p n SER 589 Ca 0.00 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.82 3a6p n SER 589 Cb 0.00 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 3a6p n SER 589 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3a6p n LYS 590 N 2.00 0.08 -4.36 1.43 5.02 -1.26 -5.12 118.16 115.96 3a6p n LYS 590 Ca 0.11 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.17 3a6p n LYS 590 Cb 0.46 -0.52 -0.11 0.00 -0.02 0.00 0.00 35.03 34.84 3a6p n LYS 590 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a6p s ALA 591 N -1.03 2.14 0.49 7.82 0.00 -1.23 -5.14 121.76 124.80 3a6p s ALA 591 Ca 0.00 -1.55 -0.22 0.00 0.00 0.00 0.00 51.96 50.20 3a6p s ALA 591 Cb 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.84 3a6p s ALA 591 CO 0.00 0.26 1.16 -2.14 0.00 0.00 0.00 175.76 175.05 3a6p s PRO 592 N -2.86 3.61 -0.41 0.00 0.02 -1.26 -4.82 135.00 129.29 3a6p s PRO 592 Ca 0.18 1.75 -0.29 0.00 0.02 0.00 0.00 61.00 62.66 3a6p s PRO 592 Cb -0.06 -2.28 0.01 0.00 0.02 0.00 0.00 34.50 32.19 3a6p s PRO 592 CO 0.08 -0.67 1.46 0.50 -0.33 0.00 0.00 177.00 178.03 3a6p s ARG 593 N -2.88 3.54 0.68 5.54 6.06 -1.26 -4.92 118.95 125.70 3a6p s ARG 593 Ca 0.67 0.98 -0.14 0.00 -2.50 0.00 0.00 55.73 54.73 3a6p s ARG 593 Cb -0.28 -4.05 0.01 0.00 0.06 0.00 0.00 34.95 30.69 3a6p s ARG 593 CO 0.33 -1.61 1.11 0.95 -2.50 0.00 0.00 175.30 173.57 3a6p s THR 594 N 5.63 3.25 0.17 4.11 -4.23 -1.26 -4.81 115.64 118.50 3a6p s THR 594 Ca 0.63 0.55 -0.12 0.00 -1.18 0.00 0.00 61.69 61.58 3a6p s THR 594 Cb -0.15 -3.07 0.07 0.00 1.34 0.00 0.00 72.50 70.69 3a6p s THR 594 CO 0.33 -0.39 1.71 -0.09 -0.54 0.00 0.00 174.62 175.64 3a6p h ARG 595 N -0.14 0.89 0.00 3.99 2.43 -1.61 -2.55 114.38 117.38 3a6p h ARG 595 Ca -0.46 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 58.53 3a6p h ARG 595 Cb 1.24 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3a6p h ARG 595 CO 0.54 0.78 -0.01 0.00 -1.51 0.00 0.00 179.97 179.76 3a6p h ALA 596 N 1.07 1.77 0.41 2.80 0.00 -1.62 0.60 119.26 124.28 3a6p h ALA 596 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3a6p h ALA 596 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a6p h ALA 596 CO -0.01 0.01 -0.20 0.28 0.00 0.00 0.00 179.25 179.34 3a6p h VAL 597 N 0.00 0.14 0.00 0.00 2.07 -1.70 -2.05 116.25 114.71 3a6p h VAL 597 Ca -0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3a6p h VAL 597 Cb 0.02 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3a6p h VAL 597 CO 0.00 0.03 0.00 0.08 0.02 0.00 0.00 177.57 177.70 3a6p h ARG 598 N -1.10 0.00 -0.15 1.57 0.11 -1.14 -1.89 114.38 111.78 3a6p h ARG 598 Ca -0.06 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.94 3a6p h ARG 598 Cb 0.47 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.55 3a6p h ARG 598 CO 0.09 0.00 -0.24 -0.91 0.10 0.00 0.00 179.97 179.01 3a6p h ASN 599 N 0.00 0.47 -0.20 0.08 2.35 0.27 -2.75 115.58 115.81 3a6p h ASN 599 Ca 0.00 -0.53 -0.12 0.00 -0.55 0.00 0.00 56.30 55.10 3a6p h ASN 599 Cb 0.19 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3a6p h ASN 599 CO 0.00 0.91 -0.30 -0.37 -1.65 0.00 0.00 177.43 176.02 3a6p h VAL 600 N 0.05 1.28 0.87 2.81 -1.51 -0.61 0.95 116.25 120.09 3a6p h VAL 600 Ca 0.01 -1.42 -0.04 0.00 -1.23 0.00 0.00 66.70 64.02 3a6p h VAL 600 Cb 0.81 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 3a6p h VAL 600 CO 0.05 0.46 -0.46 0.03 -1.23 0.00 0.00 177.57 176.42 3a6p h ARG 601 N 0.59 -1.18 -0.83 5.19 3.08 -1.52 0.36 114.38 120.07 3a6p h ARG 601 Ca 0.07 0.08 0.21 0.00 0.07 0.00 0.00 59.98 60.41 3a6p h ARG 601 Cb 0.80 0.27 -0.14 0.00 0.08 0.00 0.00 29.97 30.98 3a6p h ARG 601 CO 0.07 -0.79 0.11 -0.09 -1.07 0.00 0.00 179.97 178.20 3a6p h ARG 602 N -1.23 0.14 -0.62 0.04 2.43 -1.40 0.19 114.38 113.93 3a6p h ARG 602 Ca -0.12 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 3a6p h ARG 602 Cb 0.96 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 3a6p h ARG 602 CO 0.17 0.10 0.26 1.25 -1.51 0.00 0.00 179.97 180.23 3a6p h HIS 603 N 0.15 0.90 0.29 2.20 2.76 0.01 0.06 115.15 121.51 3a6p h HIS 603 Ca 0.49 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.60 3a6p h HIS 603 Cb 0.94 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.62 3a6p h HIS 603 CO -0.36 0.68 -0.14 0.00 -1.30 0.00 0.00 177.93 176.82 3a6p h ALA 604 N 1.40 -0.39 -0.59 5.26 0.00 0.27 -1.32 119.26 123.89 3a6p h ALA 604 Ca 0.21 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3a6p h ALA 604 Cb 0.15 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3a6p h ALA 604 CO -0.02 -0.57 0.12 0.00 0.00 0.00 0.00 179.25 178.79 3a6p h SER 606 N 0.26 -0.47 0.32 0.00 0.02 -0.88 -2.34 113.55 110.46 3a6p h SER 606 Ca 0.31 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 3a6p h SER 606 Cb 0.45 0.32 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 3a6p h SER 606 CO -0.39 -0.17 -0.06 0.28 -1.14 0.00 0.00 176.83 175.35 3a6p h SER 607 N 0.01 0.00 -0.17 3.07 0.02 0.13 -1.48 113.55 115.13 3a6p h SER 607 Ca 0.26 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.13 3a6p h SER 607 Cb 0.40 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3a6p h SER 607 CO -0.54 0.06 -0.20 0.40 -1.14 0.00 0.00 176.83 175.40 3a6p h ILE 608 N 0.00 1.34 -0.58 3.27 1.08 -0.46 -0.93 117.51 121.24 3a6p h ILE 608 Ca -0.00 -1.40 -0.05 0.00 -0.39 0.00 0.00 64.86 63.02 3a6p h ILE 608 Cb 0.24 1.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 3a6p h ILE 608 CO 0.01 0.42 0.17 0.40 -0.69 0.00 0.00 178.15 178.46 3a6p h ILE 609 N 0.08 1.24 -0.02 -0.67 2.04 -1.31 -1.88 117.51 116.99 3a6p h ILE 609 Ca 0.02 -0.84 -0.11 0.00 1.00 0.00 0.00 64.86 64.94 3a6p h ILE 609 Cb 0.76 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3a6p h ILE 609 CO 0.05 0.31 -0.49 0.50 0.00 0.00 0.00 178.15 178.52 3a6p h LYS 610 N 0.82 0.05 -0.11 2.37 3.64 -1.23 0.28 116.57 122.39 3a6p h LYS 610 Ca 0.19 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3a6p h LYS 610 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3a6p h LYS 610 CO -0.00 0.53 -0.24 1.98 -2.27 0.00 0.00 179.45 179.45 3a6p h MET 611 N 0.04 0.36 -0.16 1.90 4.05 -0.81 -0.68 114.93 119.63 3a6p h MET 611 Ca -0.00 -0.24 -0.07 0.00 -0.28 0.00 0.00 59.70 59.11 3a6p h MET 611 Cb 0.88 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.71 3a6p h MET 611 CO 0.07 0.84 -0.18 0.00 0.23 0.00 0.00 176.91 177.87 3a6p h ARG 613 N 0.04 0.51 0.21 0.00 2.43 -0.50 -3.23 114.38 113.85 3a6p h ARG 613 Ca 0.02 -0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 58.84 3a6p h ARG 613 Cb 0.72 -0.12 0.03 0.00 -0.42 0.00 0.00 29.97 30.19 3a6p h ARG 613 CO 0.04 0.34 -1.40 -0.44 -1.51 0.00 0.00 179.97 177.00 3a6p h ASP 614 N 0.53 0.78 -3.85 -3.80 3.45 -1.12 -3.41 116.42 109.00 3a6p h ASP 614 Ca 0.14 -0.81 -0.62 0.00 0.43 0.00 0.00 57.03 56.17 3a6p h ASP 614 Cb -0.06 -0.25 -0.40 0.00 -0.56 0.00 0.00 39.33 38.05 3a6p h ASP 614 CO -0.03 1.63 -0.69 -0.31 -1.57 0.00 0.00 179.24 178.27 3a6p s TYR 615 N -2.68 2.49 -0.23 4.55 1.51 -0.09 -4.97 117.35 117.93 3a6p s TYR 615 Ca -0.08 -2.74 0.09 0.00 -1.01 0.00 0.00 57.07 53.32 3a6p s TYR 615 Cb 0.05 -2.28 -0.20 0.00 -0.11 0.00 0.00 41.96 39.42 3a6p s TYR 615 CO 0.93 -0.76 -0.09 -0.35 -1.11 0.00 0.00 175.55 174.17 3a6p n PRO 616 N 3.34 0.71 -0.34 -1.71 -0.05 -1.22 -2.93 135.00 132.80 3a6p n PRO 616 Ca 0.07 0.08 0.20 0.00 -0.05 0.00 0.00 63.50 63.80 3a6p n PRO 616 Cb 0.34 -1.50 0.43 0.00 -0.05 0.00 0.00 33.50 32.71 3a6p n PRO 616 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 175.50 174.89 3a6p h GLN 617 N 0.00 0.47 0.09 0.54 -0.00 -1.93 0.53 115.11 114.80 3a6p h GLN 617 Ca -0.55 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.07 3a6p h GLN 617 Cb 2.02 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 29.39 3a6p h GLN 617 CO -0.04 0.31 -0.04 1.25 -0.00 0.00 0.00 178.83 180.31 3a6p h LEU 618 N 0.48 -0.10 -0.82 0.06 5.85 -1.98 -2.43 115.31 116.37 3a6p h LEU 618 Ca 0.67 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.39 3a6p h LEU 618 Cb 1.41 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.46 3a6p h LEU 618 CO -0.49 -0.07 0.08 1.33 -0.34 0.00 0.00 178.44 178.95 3a6p n VAL 619 N -2.32 1.20 0.15 1.05 0.24 -0.85 -3.76 118.33 114.04 3a6p n VAL 619 Ca -0.01 0.66 -0.14 0.00 -2.04 0.00 0.00 64.34 62.81 3a6p n VAL 619 Cb 0.05 -1.66 -0.07 0.00 -1.47 0.00 0.00 33.84 30.69 3a6p n VAL 619 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3a6p h LEU 620 N 0.00 -0.56 -1.98 1.34 5.85 0.56 -1.67 115.31 118.86 3a6p h LEU 620 Ca 0.00 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.90 3a6p h LEU 620 Cb 0.16 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3a6p h LEU 620 CO 0.00 -0.31 0.45 -0.65 -0.34 0.00 0.00 178.44 177.59 3a6p h PRO 621 N -0.45 0.00 -0.81 5.25 0.11 -1.69 -1.92 132.00 132.48 3a6p h PRO 621 Ca -0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 3a6p h PRO 621 Cb 0.42 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.48 3a6p h PRO 621 CO -0.05 0.00 0.11 0.09 -0.21 0.00 0.00 178.00 177.94 3a6p n ASN 622 N -3.77 3.82 -0.05 -2.05 3.02 -0.63 -4.71 115.26 110.89 3a6p n ASN 622 Ca 0.08 -2.69 -0.12 0.00 -0.03 0.00 0.00 54.58 51.82 3a6p n ASN 622 Cb 0.64 -0.64 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3a6p n ASN 622 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3a6p h PHE 623 N 1.99 0.32 -0.97 3.10 3.57 -1.43 -2.82 116.94 120.71 3a6p h PHE 623 Ca 0.10 -0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.65 3a6p h PHE 623 Cb 1.62 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 40.20 3a6p h PHE 623 CO 0.76 0.51 0.62 -0.44 -2.23 0.00 0.00 178.31 177.53 3a6p h ASP 624 N 0.04 0.92 0.04 0.41 5.19 -1.87 -0.99 116.42 120.16 3a6p h ASP 624 Ca 0.05 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3a6p h ASP 624 Cb 0.38 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.73 3a6p h ASP 624 CO 0.01 0.53 -0.02 -0.03 -3.12 0.00 0.00 179.24 176.61 3a6p h MET 625 N 1.01 -0.06 -0.86 3.56 4.05 -1.89 -0.97 114.93 119.77 3a6p h MET 625 Ca 0.45 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.96 3a6p h MET 625 Cb 0.38 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.13 3a6p h MET 625 CO -0.21 0.28 0.52 -0.07 0.23 0.00 0.00 176.91 177.66 3a6p h LEU 626 N -0.39 0.80 0.64 3.39 3.38 -1.27 0.17 115.31 122.02 3a6p h LEU 626 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3a6p h LEU 626 Cb 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3a6p h LEU 626 CO 0.01 0.49 -0.46 0.22 0.09 0.00 0.00 178.44 178.79 3a6p h TYR 627 N 0.92 -1.23 -0.71 1.13 3.20 -1.06 -1.10 116.97 118.11 3a6p h TYR 627 Ca 0.39 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.38 3a6p h TYR 627 Cb 0.26 0.46 -0.09 0.00 1.54 0.00 0.00 36.73 38.90 3a6p h TYR 627 CO -0.04 -0.66 0.28 -0.91 -1.64 0.00 0.00 178.16 175.19 3a6p h ASN 628 N -1.05 0.27 -0.27 -2.11 -0.26 -0.95 -0.22 115.58 110.99 3a6p h ASN 628 Ca -0.08 0.10 0.03 0.00 -0.56 0.00 0.00 56.30 55.78 3a6p h ASN 628 Cb 0.87 0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 38.18 3a6p h ASN 628 CO 0.04 0.12 0.10 -0.74 -1.06 0.00 0.00 177.43 175.89 3a6p h HIS 629 N 0.44 0.19 -0.23 1.19 2.76 0.02 -1.55 115.15 117.97 3a6p h HIS 629 Ca 0.38 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.43 3a6p h HIS 629 Cb 0.54 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 3a6p h HIS 629 CO -0.17 0.09 -0.40 0.28 -1.30 0.00 0.00 177.93 176.44 3a6p h VAL 630 N 0.23 1.30 -0.64 5.26 2.07 -0.71 -1.31 116.25 122.46 3a6p h VAL 630 Ca 0.12 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.11 3a6p h VAL 630 Cb 0.08 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3a6p h VAL 630 CO -0.11 0.49 0.40 0.50 0.02 0.00 0.00 177.57 178.86 3a6p h LYS 631 N 0.44 0.77 -0.41 1.57 3.64 -0.81 -0.26 116.57 121.51 3a6p h LYS 631 Ca 0.04 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3a6p h LYS 631 Cb 0.89 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 3a6p h LYS 631 CO 0.08 0.51 0.09 1.96 -2.27 0.00 0.00 179.45 179.82 3a6p h GLN 632 N 0.79 0.66 -0.12 1.90 4.20 -0.81 -0.56 115.11 121.17 3a6p h GLN 632 Ca 0.25 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3a6p h GLN 632 Cb 0.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3a6p h GLN 632 CO -0.10 0.68 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.50 3a6p h LEU 633 N 0.52 0.18 0.00 1.46 3.38 -0.75 -2.22 115.31 117.88 3a6p h LEU 633 Ca 0.13 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3a6p h LEU 633 Cb 0.32 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3a6p h LEU 633 CO 0.00 0.38 -0.57 -0.07 0.09 0.00 0.00 178.44 178.27 3a6p h LEU 634 N 0.18 0.00 -1.00 1.67 3.38 -0.86 -3.38 115.31 115.31 3a6p h LEU 634 Ca 0.03 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.35 3a6p h LEU 634 Cb 0.43 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.00 3a6p h LEU 634 CO 0.03 0.03 0.30 0.28 0.09 0.00 0.00 178.44 179.17 3a6p h SER 635 N 0.00 -0.05 -3.51 -0.43 0.02 -0.44 -3.05 113.55 106.09 3a6p h SER 635 Ca -0.00 0.27 -0.72 0.00 -0.84 0.00 0.00 61.79 60.50 3a6p h SER 635 Cb 1.03 0.37 -0.24 0.00 0.14 0.00 0.00 62.40 63.70 3a6p h SER 635 CO 0.00 -0.39 -0.46 0.21 -1.14 0.00 0.00 176.83 175.05 3a6p s ASN 636 N -4.77 5.88 0.48 3.07 3.04 -1.26 -4.91 114.94 116.48 3a6p s ASN 636 Ca -0.11 -1.09 0.32 0.00 0.04 0.00 0.00 52.86 52.02 3a6p s ASN 636 Cb 0.32 -2.08 1.73 0.00 -1.54 0.00 0.00 41.25 39.68 3a6p s ASN 636 CO 0.78 -0.46 1.97 1.05 -3.04 0.00 0.00 177.10 177.40 3a6p h GLU 637 N 8.53 0.00 0.00 0.43 4.11 -1.87 -2.08 114.58 123.69 3a6p h GLU 637 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 3a6p h GLU 637 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3a6p h GLU 637 CO 0.73 0.00 -0.89 1.28 0.07 0.00 0.00 179.01 180.19 3a6p n LEU 638 N -2.62 0.64 0.34 3.06 4.77 -1.26 -4.55 117.00 117.38 3a6p n LEU 638 Ca -0.02 0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 3a6p n LEU 638 Cb 0.06 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 3a6p n LEU 638 CO 0.14 0.00 0.38 0.25 -1.33 0.00 0.00 177.39 176.84 3a6p h LEU 639 N 0.00 -0.77-10.17 2.23 6.46 -1.70 -3.46 115.31 107.90 3a6p h LEU 639 Ca 0.00 0.02 -0.49 0.00 -0.12 0.00 0.00 57.88 57.29 3a6p h LEU 639 Cb 0.74 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.87 3a6p h LEU 639 CO 0.00 -0.39 -0.30 -0.76 -0.62 0.00 0.00 178.44 176.38 3a6p s LEU 640 N -9.53 4.16 0.37 2.25 1.43 -1.26 -5.07 118.68 111.02 3a6p s LEU 640 Ca -0.14 0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.03 3a6p s LEU 640 Cb 0.01 -3.15 -0.09 0.00 0.03 0.00 0.00 46.19 43.00 3a6p s LEU 640 CO 0.42 -0.16 1.24 -0.89 0.23 0.00 0.00 176.35 177.19 3a6p s THR 641 N -2.09 2.90 0.31 5.49 2.01 -1.26 -4.81 115.64 118.19 3a6p s THR 641 Ca 0.38 0.83 0.05 0.00 0.31 0.00 0.00 61.69 63.26 3a6p s THR 641 Cb -0.10 -3.50 0.34 0.00 0.01 0.00 0.00 72.50 69.26 3a6p s THR 641 CO 0.32 0.14 1.62 1.56 -0.69 0.00 0.00 174.62 177.57 3a6p h GLN 642 N 2.99 0.13 -0.86 4.92 7.50 -1.94 0.51 115.11 128.35 3a6p h GLN 642 Ca -0.49 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 58.64 3a6p h GLN 642 Cb 1.23 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.69 3a6p h GLN 642 CO 0.64 0.08 0.49 1.98 -1.50 0.00 0.00 178.83 180.52 3a6p h MET 643 N 0.13 1.18 -0.39 1.46 4.05 -1.99 -0.84 114.93 118.54 3a6p h MET 643 Ca 0.61 -0.13 -0.15 0.00 -0.28 0.00 0.00 59.70 59.76 3a6p h MET 643 Cb 1.33 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.88 3a6p h MET 643 CO -0.74 0.85 -0.36 0.93 0.23 0.00 0.00 176.91 177.82 3a6p h GLU 644 N 1.19 0.92 0.36 0.39 5.08 -1.28 -2.36 114.58 118.88 3a6p h GLU 644 Ca 0.30 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3a6p h GLU 644 Cb -0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3a6p h GLU 644 CO -0.05 1.12 -0.22 0.87 -1.00 0.00 0.00 179.01 179.72 3a6p h LYS 645 N 0.75 -0.54 -0.17 2.33 1.57 0.49 -2.85 116.57 118.15 3a6p h LYS 645 Ca 0.07 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3a6p h LYS 645 Cb 0.94 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3a6p h LYS 645 CO 0.09 -0.36 -0.19 0.00 -0.57 0.00 0.00 179.45 178.41 3a6p h ALA 647 N 1.53 1.33 -0.37 0.00 0.00 -1.22 0.15 119.26 120.68 3a6p h ALA 647 Ca 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3a6p h ALA 647 Cb 0.50 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3a6p h ALA 647 CO 0.03 0.56 0.08 -0.07 0.00 0.00 0.00 179.25 179.85 3a6p h LEU 648 N 1.27 0.57 0.23 0.00 3.38 -1.19 -1.91 115.31 117.67 3a6p h LEU 648 Ca 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3a6p h LEU 648 Cb 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3a6p h LEU 648 CO -0.13 0.67 -0.12 0.24 0.09 0.00 0.00 178.44 179.20 3a6p h MET 649 N 0.45 -0.31 -0.96 1.13 2.86 -1.11 -0.83 114.93 116.17 3a6p h MET 649 Ca 0.11 0.02 0.35 0.00 -2.06 0.00 0.00 59.70 58.13 3a6p h MET 649 Cb 0.33 0.07 -0.18 0.00 0.06 0.00 0.00 31.60 31.88 3a6p h MET 649 CO 0.00 -0.20 0.34 0.39 1.06 0.00 0.00 176.91 178.50 3a6p n GLU 650 N -5.23 -0.06 -0.05 1.72 1.02 0.47 -0.14 120.64 118.36 3a6p n GLU 650 Ca -0.09 1.37 -0.15 0.00 -0.02 0.00 0.00 57.16 58.27 3a6p n GLU 650 Cb 0.15 -2.35 -0.07 0.00 -0.02 0.00 0.00 31.44 29.15 3a6p n GLU 650 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a6p h ALA 651 N 1.92 0.26 -0.21 0.62 0.00 -0.36 -1.90 119.26 119.59 3a6p h ALA 651 Ca 0.73 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3a6p h ALA 651 Cb 1.81 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 3a6p h ALA 651 CO -0.80 0.36 0.03 -0.07 0.00 0.00 0.00 179.25 178.77 3a6p h LEU 652 N 0.18 -0.00 -0.72 0.00 3.38 -0.05 -1.20 115.31 116.90 3a6p h LEU 652 Ca -0.00 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.13 3a6p h LEU 652 Cb 1.00 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 3a6p h LEU 652 CO 0.09 0.03 0.27 0.58 0.09 0.00 0.00 178.44 179.49 3a6p h VAL 653 N 0.11 0.67 0.00 1.22 2.07 -0.41 -1.93 116.25 117.98 3a6p h VAL 653 Ca 0.09 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3a6p h VAL 653 Cb 0.09 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3a6p h VAL 653 CO -0.13 0.08 -0.13 -0.07 0.02 0.00 0.00 177.57 177.34 3a6p h LEU 654 N 0.42 0.00 0.24 2.57 3.38 -0.40 -2.42 115.31 119.10 3a6p h LEU 654 Ca 0.39 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.02 3a6p h LEU 654 Cb 0.57 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.36 3a6p h LEU 654 CO -0.39 0.13 -1.51 0.40 0.09 0.00 0.00 178.44 177.16 3a6p h ILE 655 N 0.00 1.23 -0.01 1.22 2.04 -0.83 -3.26 117.51 117.91 3a6p h ILE 655 Ca -0.00 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.20 3a6p h ILE 655 Cb 0.32 3.01 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3a6p h ILE 655 CO 0.02 0.81 0.00 0.77 0.00 0.00 0.00 178.15 179.75 3a6p h SER 656 N 0.12 0.00 0.00 1.72 4.64 -0.94 -0.38 113.55 118.71 3a6p h SER 656 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3a6p h SER 656 Cb 2.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.23 3a6p h SER 656 CO 0.26 0.00 0.43 0.78 -0.87 0.00 0.00 176.83 177.43 3a6p h ASN 657 N 0.00 0.00 0.70 4.97 -0.26 -1.49 -0.55 115.58 118.95 3a6p h ASN 657 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3a6p h ASN 657 Cb 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 3a6p h ASN 657 CO -0.00 0.00 -0.66 0.00 -1.06 0.00 0.00 177.43 175.71 3a6p n GLN 658 N -2.77 0.22 0.33 0.81 1.13 -0.15 -2.98 117.38 113.95 3a6p n GLN 658 Ca -0.02 0.05 0.21 0.00 -1.94 0.00 0.00 57.00 55.30 3a6p n GLN 658 Cb 0.47 -1.62 1.12 0.00 0.11 0.00 0.00 30.24 30.31 3a6p n GLN 658 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 3a6p h PHE 659 N 0.00 0.00 -6.63 1.08 0.04 -1.21 -3.46 116.94 106.76 3a6p h PHE 659 Ca 0.00 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 60.37 3a6p h PHE 659 Cb 0.68 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.74 3a6p h PHE 659 CO 0.00 0.00 -0.64 1.63 -0.60 0.00 0.00 178.31 178.70 3a6p n LYS 660 N -3.24 -0.80 -3.66 1.51 5.02 -1.16 -4.96 118.16 110.87 3a6p n LYS 660 Ca -0.03 -0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.18 3a6p n LYS 660 Cb 0.11 -1.96 -0.08 0.00 -0.02 0.00 0.00 35.03 33.08 3a6p n LYS 660 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3a6p s ASN 661 N -3.95 -0.63 0.06 4.39 3.84 -1.26 -4.27 114.94 113.11 3a6p s ASN 661 Ca 0.11 1.21 -0.27 0.00 0.21 0.00 0.00 52.86 54.12 3a6p s ASN 661 Cb -0.06 1.53 -0.14 0.00 -0.55 0.00 0.00 41.25 42.03 3a6p s ASN 661 CO 0.65 -0.22 1.42 0.22 -2.79 0.00 0.00 177.10 176.37 3a6p h TYR 662 N 7.81 -1.01 -0.50 0.43 3.20 -0.72 -1.43 116.97 124.75 3a6p h TYR 662 Ca -0.22 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 3a6p h TYR 662 Cb 1.13 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.75 3a6p h TYR 662 CO 0.21 -0.54 0.29 0.93 -1.64 0.00 0.00 178.16 177.42 3a6p h GLU 663 N -0.86 0.69 -0.47 1.82 4.39 -1.88 0.22 114.58 118.49 3a6p h GLU 663 Ca -0.07 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.63 3a6p h GLU 663 Cb 0.70 -0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 29.12 3a6p h GLU 663 CO 0.04 0.52 -0.48 -0.09 -1.16 0.00 0.00 179.01 177.83 3a6p h ARG 664 N 0.67 -0.31 0.00 2.33 9.65 -1.89 1.00 114.38 125.83 3a6p h ARG 664 Ca 0.18 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.04 3a6p h ARG 664 Cb 0.02 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3a6p h ARG 664 CO -0.03 -0.21 -0.17 1.96 2.80 0.00 0.00 179.97 184.32 3a6p h GLN 665 N -0.32 0.00 -0.32 0.20 4.20 -0.84 -2.58 115.11 115.46 3a6p h GLN 665 Ca 0.13 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 3a6p h GLN 665 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3a6p h GLN 665 CO -0.63 0.17 0.06 -0.22 -0.67 0.00 0.00 178.83 177.55 3a6p h LYS 666 N 0.00 0.52 -0.20 1.46 1.63 0.17 -1.99 116.57 118.16 3a6p h LYS 666 Ca -0.00 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.61 3a6p h LYS 666 Cb 0.32 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 3a6p h LYS 666 CO 0.02 0.60 -0.09 0.28 -3.45 0.00 0.00 179.45 176.81 3a6p h VAL 667 N 0.35 1.31 -0.56 2.00 2.07 -0.83 -2.33 116.25 118.26 3a6p h VAL 667 Ca 0.10 -1.15 0.09 0.00 0.82 0.00 0.00 66.70 66.56 3a6p h VAL 667 Cb 0.33 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3a6p h VAL 667 CO 0.00 0.35 0.16 0.15 0.02 0.00 0.00 177.57 178.25 3a6p h PHE 668 N 0.11 0.26 0.00 1.57 3.57 -1.36 -1.77 116.94 119.33 3a6p h PHE 668 Ca 0.04 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.39 3a6p h PHE 668 Cb 0.58 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3a6p h PHE 668 CO 0.06 0.03 -0.84 -0.07 -2.23 0.00 0.00 178.31 175.27 3a6p h LEU 669 N 0.31 0.14 -0.36 0.59 3.38 -1.16 0.53 115.31 118.74 3a6p h LEU 669 Ca 0.28 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 3a6p h LEU 669 Cb 0.38 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3a6p h LEU 669 CO -0.33 0.91 -0.72 -0.33 0.09 0.00 0.00 178.44 178.06 3a6p h GLU 670 N 0.06 0.51 -0.33 1.13 5.08 -1.36 0.96 114.58 120.64 3a6p h GLU 670 Ca -0.03 -0.41 -0.12 0.00 -1.00 0.00 0.00 59.36 57.81 3a6p h GLU 670 Cb 1.46 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 3a6p h GLU 670 CO 0.12 1.03 -0.26 1.49 -1.00 0.00 0.00 179.01 180.39 3a6p h GLU 671 N 0.35 0.75 -0.99 2.33 4.81 -1.12 -0.43 114.58 120.28 3a6p h GLU 671 Ca -0.03 -0.37 0.03 0.00 -0.13 0.00 0.00 59.36 58.86 3a6p h GLU 671 Cb 1.31 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.63 3a6p h GLU 671 CO 0.13 0.99 0.65 1.25 -0.73 0.00 0.00 179.01 181.31 3a6p h LEU 672 N 0.52 1.10 0.00 1.64 5.85 0.21 -2.89 115.31 121.73 3a6p h LEU 672 Ca 0.06 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3a6p h LEU 672 Cb 0.83 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3a6p h LEU 672 CO 0.07 0.76 -0.46 0.23 -0.34 0.00 0.00 178.44 178.70 3a6p n MET 673 N -4.43 0.22 -0.32 1.25 2.81 0.32 -4.52 117.12 112.45 3a6p n MET 673 Ca 0.13 0.09 0.19 0.00 -1.81 0.00 0.00 57.70 56.30 3a6p n MET 673 Cb 0.08 -1.66 0.38 0.00 -0.71 0.00 0.00 33.22 31.31 3a6p n MET 673 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3a6p h ALA 674 N 2.63 1.55 -0.13 3.04 0.00 -0.85 0.19 119.26 125.70 3a6p h ALA 674 Ca 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3a6p h ALA 674 Cb 0.68 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3a6p h ALA 674 CO 0.00 -0.61 -0.42 -1.35 0.00 0.00 0.00 179.25 176.87 3a6p h PRO 675 N 0.14 0.29 -0.07 0.00 0.11 -1.81 -2.97 132.00 127.69 3a6p h PRO 675 Ca 0.66 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 66.60 3a6p h PRO 675 Cb 1.47 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.58 3a6p h PRO 675 CO -0.74 0.67 -0.05 0.28 -0.21 0.00 0.00 178.00 177.95 3a6p h VAL 676 N 0.24 1.35 -0.80 3.15 2.07 -0.98 -2.49 116.25 118.81 3a6p h VAL 676 Ca 0.02 -1.15 0.16 0.00 0.82 0.00 0.00 66.70 66.55 3a6p h VAL 676 Cb 0.85 1.97 -0.10 0.00 -1.52 0.00 0.00 31.29 32.48 3a6p h VAL 676 CO 0.07 0.32 0.32 0.00 0.02 0.00 0.00 177.57 178.30 3a6p h ALA 677 N 0.59 1.16 -0.56 1.67 0.00 -1.35 -1.51 119.26 119.25 3a6p h ALA 677 Ca 0.01 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3a6p h ALA 677 Cb 0.54 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3a6p h ALA 677 CO 0.01 -0.24 0.20 0.77 0.00 0.00 0.00 179.25 180.00 3a6p h SER 678 N 0.44 0.21 1.04 0.00 0.02 -1.28 -1.53 113.55 112.44 3a6p h SER 678 Ca 0.45 0.07 -0.19 0.00 -0.84 0.00 0.00 61.79 61.28 3a6p h SER 678 Cb 0.73 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 3a6p h SER 678 CO -0.44 0.13 -0.91 0.40 -1.14 0.00 0.00 176.83 174.87 3a6p h ILE 679 N 0.39 1.59 0.05 3.27 2.04 -1.15 -2.94 117.51 120.77 3a6p h ILE 679 Ca 0.28 -3.19 -0.18 0.00 1.00 0.00 0.00 64.86 62.77 3a6p h ILE 679 Cb 0.32 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 3a6p h ILE 679 CO -0.28 0.89 -0.94 -0.25 0.00 0.00 0.00 178.15 177.57 3a6p h TRP 680 N 0.00 0.21 -0.04 1.37 2.91 -0.92 -3.25 115.95 116.24 3a6p h TRP 680 Ca -0.01 -0.15 0.00 0.00 1.13 0.00 0.00 58.89 59.86 3a6p h TRP 680 Cb 1.67 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 30.32 3a6p h TRP 680 CO 0.00 1.37 0.00 1.28 -1.03 0.00 0.00 178.44 180.06 3a6p n LEU 681 N -4.27 0.28 -4.75 0.65 4.77 -0.61 -4.20 117.00 108.87 3a6p n LEU 681 Ca -0.22 -0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.29 3a6p n LEU 681 Cb 0.72 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.84 3a6p n LEU 681 CO 0.33 0.06 0.78 -0.94 -1.33 0.00 0.00 177.39 176.30 3a6p s SER 682 N -1.39 4.92 0.06 -1.43 1.04 -1.11 -4.84 113.70 110.95 3a6p s SER 682 Ca 0.21 2.21 -0.23 0.00 0.48 0.00 0.00 55.95 58.61 3a6p s SER 682 Cb 0.10 -2.58 -0.15 0.00 0.10 0.00 0.00 66.02 63.49 3a6p s SER 682 CO 0.16 -1.76 1.59 -0.61 0.98 0.00 0.00 173.24 173.59 3a6p h GLN 683 N 0.25 0.08 0.00 4.02 4.15 -1.91 -1.56 115.11 120.14 3a6p h GLN 683 Ca -0.48 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 58.84 3a6p h GLN 683 Cb 1.27 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 3a6p h GLN 683 CO 0.53 0.23 -0.38 0.38 -1.93 0.00 0.00 178.83 177.66 3a6p h ASP 684 N -0.08 0.00 0.25 -0.69 -0.00 -1.95 -3.05 116.42 110.89 3a6p h ASP 684 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.04 3a6p h ASP 684 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.51 3a6p h ASP 684 CO -0.00 0.38 -0.12 -0.03 -0.00 0.00 0.00 179.24 179.47 3a6p h MET 685 N 0.00 -0.32 -0.65 4.15 4.05 -1.75 -2.08 114.93 118.32 3a6p h MET 685 Ca -0.00 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.53 3a6p h MET 685 Cb 0.91 0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 31.68 3a6p h MET 685 CO 0.05 -0.05 -0.28 1.58 0.23 0.00 0.00 176.91 178.44 3a6p n HIS 686 N -5.13 -0.04 -0.27 1.39 -0.00 -0.62 -0.17 115.22 110.37 3a6p n HIS 686 Ca -0.09 0.81 -0.05 0.00 -0.00 0.00 0.00 57.72 58.39 3a6p n HIS 686 Cb 0.22 -0.71 0.10 0.00 -0.00 0.00 0.00 29.99 29.61 3a6p n HIS 686 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 3a6p h ARG 687 N 0.00 1.15 -0.73 1.57 2.43 -1.39 -1.11 114.38 116.30 3a6p h ARG 687 Ca 0.20 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3a6p h ARG 687 Cb 0.37 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3a6p h ARG 687 CO -0.64 0.91 0.31 0.28 -1.51 0.00 0.00 179.97 179.32 3a6p h VAL 688 N 1.13 1.24 0.00 0.20 2.07 -0.03 0.91 116.25 121.78 3a6p h VAL 688 Ca 0.26 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 3a6p h VAL 688 Cb 0.18 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3a6p h VAL 688 CO -0.03 0.30 -0.49 -0.07 0.02 0.00 0.00 177.57 177.31 3a6p h LEU 689 N 1.05 0.00 0.00 2.57 3.38 -0.13 -3.21 115.31 118.97 3a6p h LEU 689 Ca 0.25 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.84 3a6p h LEU 689 Cb 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3a6p h LEU 689 CO -0.02 0.49 -2.42 -1.20 0.09 0.00 0.00 178.44 175.37 3a6p n SER 690 N -3.36 1.19 -4.81 -0.43 7.64 -0.46 -3.18 113.62 110.21 3a6p n SER 690 Ca 0.01 -0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.44 3a6p n SER 690 Cb 0.66 0.18 -0.07 0.00 -1.01 0.00 0.00 64.21 63.97 3a6p n SER 690 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a6p s ASP 691 N -6.05 6.39 0.23 6.43 -1.08 0.29 -4.83 116.67 118.05 3a6p s ASP 691 Ca -0.24 0.47 -0.03 0.00 -0.52 0.00 0.00 52.55 52.22 3a6p s ASP 691 Cb 0.08 -2.11 0.23 0.00 -1.46 0.00 0.00 42.92 39.65 3a6p s ASP 691 CO 0.69 0.29 1.65 0.58 0.52 0.00 0.00 175.17 178.89 3a6p h VAL 692 N 4.25 1.27 0.01 1.11 2.07 -1.87 -1.39 116.25 121.70 3a6p h VAL 692 Ca -0.49 -1.33 -0.26 0.00 0.82 0.00 0.00 66.70 65.45 3a6p h VAL 692 Cb 1.20 1.25 0.02 0.00 -1.52 0.00 0.00 31.29 32.23 3a6p h VAL 692 CO 0.66 0.44 -1.02 0.44 0.02 0.00 0.00 177.57 178.11 3a6p h ASP 693 N 0.62 0.79 -0.49 0.57 5.19 -1.94 0.27 116.42 121.43 3a6p h ASP 693 Ca 0.09 -0.64 0.05 0.00 -0.62 0.00 0.00 57.03 55.91 3a6p h ASP 693 Cb 0.72 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.94 3a6p h ASP 693 CO 0.06 1.44 0.23 0.00 -3.12 0.00 0.00 179.24 177.84 3a6p h ALA 694 N 0.50 0.61 0.36 3.45 0.00 -1.85 -2.30 119.26 120.04 3a6p h ALA 694 Ca -0.12 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3a6p h ALA 694 Cb 1.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3a6p h ALA 694 CO 0.19 -0.14 -0.17 0.35 0.00 0.00 0.00 179.25 179.48 3a6p h PHE 695 N 0.44 -0.44 -0.75 0.00 3.57 -1.11 0.25 116.94 118.90 3a6p h PHE 695 Ca 0.22 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.91 3a6p h PHE 695 Cb 0.16 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 3a6p h PHE 695 CO -0.12 -0.12 0.53 0.82 -2.23 0.00 0.00 178.31 177.19 3a6p h ILE 696 N -0.79 0.66 0.43 1.41 2.04 -0.46 -2.27 117.51 118.53 3a6p h ILE 696 Ca -0.05 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3a6p h ILE 696 Cb 0.52 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3a6p h ILE 696 CO 0.08 0.02 -0.21 0.00 0.00 0.00 0.00 178.15 178.04 3a6p h ALA 697 N 1.64 -0.58 -1.11 1.87 0.00 -0.98 -0.23 119.26 119.88 3a6p h ALA 697 Ca 0.36 -0.16 0.35 0.00 0.00 0.00 0.00 54.91 55.46 3a6p h ALA 697 Cb 1.29 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 19.17 3a6p h ALA 697 CO -0.04 -0.57 0.67 -0.92 0.00 0.00 0.00 179.25 178.39 3a6p h TYR 698 N -1.08 0.75 0.00 0.00 3.20 -0.53 -3.10 116.97 116.21 3a6p h TYR 698 Ca -0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3a6p h TYR 698 Cb 0.52 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3a6p h TYR 698 CO 0.02 -0.15 -1.82 1.33 -1.64 0.00 0.00 178.16 175.89 3a6p n VAL 699 N -4.87 0.00 -0.57 1.81 0.24 -0.89 -4.60 118.33 109.44 3a6p n VAL 699 Ca 0.33 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3a6p n VAL 699 Cb 1.12 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 3a6p n VAL 699 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a6p n GLY 700 N 1.30 1.15 0.01 7.63 0.00 -0.12 -4.78 105.19 110.38 3a6p n GLY 700 Ca -0.03 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3a6p n GLY 700 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a6p n THR 701 N -0.89 0.01 0.33 2.61 -2.24 -1.15 -4.10 114.28 108.86 3a6p n THR 701 Ca 0.00 -0.27 0.12 0.00 -2.27 0.00 0.00 64.05 61.63 3a6p n THR 701 Cb 0.12 0.43 0.53 0.00 -2.10 0.00 0.00 70.33 69.32 3a6p n THR 701 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3a6p n ASP 702 N -1.92 0.68 -4.29 3.42 3.85 -1.26 0.99 116.55 118.02 3a6p n ASP 702 Ca -0.00 0.70 -0.28 0.00 -0.71 0.00 0.00 54.79 54.50 3a6p n ASP 702 Cb 0.46 -0.83 -0.14 0.00 -1.35 0.00 0.00 41.12 39.25 3a6p n ASP 702 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a6p s GLN 703 N -3.40 1.58 0.00 0.11 -2.07 -1.26 -4.68 119.66 109.94 3a6p s GLN 703 Ca 0.02 -1.02 0.00 0.00 -1.82 0.00 0.00 55.36 52.54 3a6p s GLN 703 Cb 0.09 -1.72 0.00 0.00 -1.09 0.00 0.00 33.01 30.28 3a6p s GLN 703 CO 0.35 0.44 0.00 1.63 -1.32 0.00 0.00 175.29 176.39 3a6p n LYS 704 N 1.81 0.00 -2.43 9.60 5.02 -1.26 -4.91 118.16 125.99 3a6p n LYS 704 Ca -0.17 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.12 3a6p n LYS 704 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3a6p n LYS 704 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3a6p n ASP 707 N 0.00 -0.06 0.00 4.39 10.43 -1.26 -4.57 116.55 125.48 3a6p n ASP 707 Ca 0.00 -0.01 0.13 0.00 2.57 0.00 0.00 54.79 57.47 3a6p n ASP 707 Cb 0.00 -0.02 0.66 0.00 1.84 0.00 0.00 41.12 43.60 3a6p n ASP 707 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 3a6p n PRO 708 N -0.50 0.43 -0.72 -0.24 -0.02 -1.26 -3.74 135.00 128.96 3a6p n PRO 708 Ca -0.00 0.04 0.05 0.00 -2.02 0.00 0.00 63.50 61.57 3a6p n PRO 708 Cb 0.01 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.08 3a6p n PRO 708 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a6p n GLY 709 N 0.84 2.92 2.85 -1.23 0.00 -1.26 -4.90 105.19 104.42 3a6p n GLY 709 Ca 0.13 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 3a6p n GLY 709 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a6p n LEU 710 N -0.49 3.99 -0.01 0.99 0.00 -1.25 -4.90 117.00 115.34 3a6p n LEU 710 Ca 0.11 -5.26 -0.03 0.00 0.00 0.00 0.00 56.01 50.83 3a6p n LEU 710 Cb 0.81 -0.90 0.21 0.00 0.00 0.00 0.00 43.42 43.54 3a6p n LEU 710 CO -0.02 1.77 0.79 -0.08 0.00 0.00 0.00 177.39 179.85 3a6p h GLU 711 N 5.24 0.55 0.00 1.96 4.22 -1.90 -3.44 114.58 121.21 3a6p h GLU 711 Ca 0.17 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3a6p h GLU 711 Cb 0.73 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3a6p h GLU 711 CO 0.86 0.70 0.00 -0.25 -2.18 0.00 0.00 179.01 178.14 3a6p n ASP 712 N -4.16 0.00 0.26 1.04 10.43 -1.26 0.14 116.55 123.00 3a6p n ASP 712 Ca 0.00 0.00 0.14 0.00 2.57 0.00 0.00 54.79 57.50 3a6p n ASP 712 Cb 0.37 0.00 0.65 0.00 1.84 0.00 0.00 41.12 43.98 3a6p n ASP 712 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 3a6p h PRO 713 N 0.00 0.00 -0.38 -0.24 0.13 -2.00 -2.90 132.00 126.60 3a6p h PRO 713 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3a6p h PRO 713 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3a6p h PRO 713 CO 0.00 0.12 -0.03 0.00 -0.23 0.00 0.00 178.00 177.86 3a6p h GLY 715 N 0.51 1.27 1.62 0.00 0.00 -1.67 -2.25 103.07 102.55 3a6p h GLY 715 Ca 0.11 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 3a6p h GLY 715 CO 0.02 0.01 -0.64 -2.00 0.00 0.00 0.00 176.54 173.93 3a6p h LEU 716 N 0.63 0.45 0.81 3.11 5.85 -1.55 -2.45 115.31 122.16 3a6p h LEU 716 Ca 0.42 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3a6p h LEU 716 Cb 0.54 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.45 3a6p h LEU 716 CO -0.33 0.97 -0.40 0.78 -0.34 0.00 0.00 178.44 179.13 3a6p h ASN 717 N 0.28 -0.94 0.00 1.25 2.35 -1.33 -1.47 115.58 115.72 3a6p h ASN 717 Ca -0.01 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3a6p h ASN 717 Cb 1.18 0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.80 3a6p h ASN 717 CO 0.11 -0.66 0.00 -2.11 -1.65 0.00 0.00 177.43 173.11 3a6p n ARG 718 N -5.56 0.43 -0.09 0.81 1.85 -0.86 -1.52 116.66 111.72 3a6p n ARG 718 Ca -0.15 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.61 3a6p n ARG 718 Cb 0.44 -1.46 -0.15 0.00 -1.05 0.00 0.00 32.46 30.24 3a6p n ARG 718 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3a6p n ALA 719 N -0.96 1.57 0.06 2.89 0.00 -0.91 -3.33 120.51 119.82 3a6p n ALA 719 Ca 0.10 -1.25 -0.12 0.00 0.00 0.00 0.00 53.44 52.17 3a6p n ALA 719 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 3a6p n ALA 719 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3a6p h ARG 720 N 0.00 0.42 -0.23 0.00 2.43 -0.24 -0.36 114.38 116.40 3a6p h ARG 720 Ca -0.50 -0.39 -0.16 0.00 -0.81 0.00 0.00 59.98 58.11 3a6p h ARG 720 Cb 2.14 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.79 3a6p h ARG 720 CO 0.03 1.05 -0.48 1.98 -1.51 0.00 0.00 179.97 181.04 3a6p h MET 721 N 0.26 0.74 -0.79 0.20 4.05 -1.44 -2.59 114.93 115.35 3a6p h MET 721 Ca -0.06 -0.48 0.09 0.00 -0.28 0.00 0.00 59.70 58.98 3a6p h MET 721 Cb 1.45 0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 32.24 3a6p h MET 721 CO 0.15 1.10 0.44 0.77 0.23 0.00 0.00 176.91 179.60 3a6p h SER 722 N 0.46 0.62 -0.67 1.39 0.02 -1.56 -2.87 113.55 110.94 3a6p h SER 722 Ca 0.01 0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 3a6p h SER 722 Cb 1.09 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 63.47 3a6p h SER 722 CO 0.11 0.36 0.21 0.15 -1.14 0.00 0.00 176.83 176.52 3a6p h PHE 723 N 0.74 0.36 -0.48 3.45 3.57 -0.68 0.39 116.94 124.28 3a6p h PHE 723 Ca 0.38 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.79 3a6p h PHE 723 Cb 0.35 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3a6p h PHE 723 CO -0.07 0.03 -0.21 0.00 -2.23 0.00 0.00 178.31 175.83 3a6p h VAL 725 N 0.85 1.26 -0.96 0.00 2.07 -1.24 -1.00 116.25 117.23 3a6p h VAL 725 Ca 0.11 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 66.78 3a6p h VAL 725 Cb 0.78 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 3a6p h VAL 725 CO 0.06 0.29 0.61 1.88 0.02 0.00 0.00 177.57 180.43 3a6p h TYR 726 N 0.19 1.12 -0.21 1.57 0.99 -0.88 -1.80 116.97 117.94 3a6p h TYR 726 Ca 0.07 0.03 -0.17 0.00 2.00 0.00 0.00 58.73 60.66 3a6p h TYR 726 Cb 0.44 -0.36 0.00 0.00 1.00 0.00 0.00 36.73 37.81 3a6p h TYR 726 CO 0.04 0.53 -0.53 0.77 -0.00 0.00 0.00 178.16 178.97 3a6p h SER 727 N 1.06 0.83 -0.65 3.88 0.02 -1.17 -1.34 113.55 116.19 3a6p h SER 727 Ca 0.44 -0.57 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 3a6p h SER 727 Cb 0.27 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3a6p h SER 727 CO -0.20 1.25 0.06 0.40 -1.14 0.00 0.00 176.83 177.20 3a6p h ILE 728 N 0.45 1.27 -0.44 3.27 2.04 -0.77 -0.19 117.51 123.14 3a6p h ILE 728 Ca -0.01 -1.09 -0.10 0.00 1.00 0.00 0.00 64.86 64.66 3a6p h ILE 728 Cb 1.14 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3a6p h ILE 728 CO 0.12 0.41 -0.14 0.25 0.00 0.00 0.00 178.15 178.78 3a6p h LEU 729 N 1.02 0.82 -0.28 1.44 6.46 -1.34 -1.91 115.31 121.52 3a6p h LEU 729 Ca 0.19 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 3a6p h LEU 729 Cb 0.50 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 3a6p h LEU 729 CO 0.02 0.96 0.14 1.23 -0.62 0.00 0.00 178.44 180.18 3a6p h GLY 730 N 0.97 0.43 0.83 3.75 0.00 0.08 -1.38 103.07 107.74 3a6p h GLY 730 Ca 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 3a6p h GLY 730 CO 0.05 0.19 -0.03 -2.08 0.00 0.00 0.00 176.54 174.67 3a6p h VAL 731 N 0.33 1.27 -0.00 4.60 2.07 -0.81 -2.55 116.25 121.15 3a6p h VAL 731 Ca 0.10 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3a6p h VAL 731 Cb 0.09 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3a6p h VAL 731 CO -0.01 0.31 0.00 0.58 0.02 0.00 0.00 177.57 178.46 3a6p h VAL 732 N 0.18 1.00 -0.68 2.57 2.07 -1.28 -1.13 116.25 118.99 3a6p h VAL 732 Ca 0.06 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3a6p h VAL 732 Cb 0.47 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3a6p h VAL 732 CO 0.02 0.00 0.45 0.50 0.02 0.00 0.00 177.57 178.56 3a6p h LYS 733 N -0.00 0.67 0.00 1.57 3.64 -1.23 -3.29 116.57 117.92 3a6p h LYS 733 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3a6p h LYS 733 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3a6p h LYS 733 CO -0.00 0.45 -1.40 0.54 -2.27 0.00 0.00 179.45 176.76 3a6p n ARG 734 N -4.48 0.87 -2.51 1.90 5.12 -0.92 -5.00 116.66 111.65 3a6p n ARG 734 Ca 0.10 -0.10 -0.41 0.00 -1.93 0.00 0.00 57.85 55.52 3a6p n ARG 734 Cb 0.23 -1.37 -0.04 0.00 -1.16 0.00 0.00 32.46 30.11 3a6p n ARG 734 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3a6p s THR 735 N -2.97 3.68 -0.22 0.55 2.01 -0.47 -4.72 115.64 113.49 3a6p s THR 735 Ca -0.01 1.58 -0.14 0.00 0.31 0.00 0.00 61.69 63.43 3a6p s THR 735 Cb 0.12 -4.00 0.07 0.00 0.01 0.00 0.00 72.50 68.69 3a6p s THR 735 CO 0.72 0.33 0.55 0.00 -0.69 0.00 0.00 174.62 175.52 3a6p s TRP 737 N 1.32 3.05 0.15 0.00 -2.14 -1.26 -4.81 118.94 115.25 3a6p s TRP 737 Ca -0.08 1.45 -0.34 0.00 2.66 0.00 0.00 56.10 59.79 3a6p s TRP 737 Cb -0.06 -2.92 -0.15 0.00 -3.10 0.00 0.00 33.47 27.24 3a6p s TRP 737 CO -0.13 -1.24 1.36 -2.30 -2.66 0.00 0.00 176.95 171.97 3a6p n PRO 738 N -2.91 1.52 0.24 3.25 -0.02 -1.26 -4.87 135.00 130.95 3a6p n PRO 738 Ca 0.08 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.26 3a6p n PRO 738 Cb 0.53 -2.18 0.51 0.00 -0.02 0.00 0.00 33.50 32.34 3a6p n PRO 738 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a6p h THR 739 N 3.17 0.00 -3.51 3.45 1.03 -1.97 -3.41 112.91 111.67 3a6p h THR 739 Ca -0.45 -0.62 -0.61 0.00 -0.01 0.00 0.00 66.41 64.72 3a6p h THR 739 Cb 1.31 1.59 -0.11 0.00 -1.07 0.00 0.00 68.15 69.87 3a6p h THR 739 CO 0.78 0.00 -0.01 -0.62 -0.01 0.00 0.00 175.52 175.66 3a6p s ASP 740 N -5.64 6.51 0.05 0.00 2.15 -1.26 -4.99 116.67 113.49 3a6p s ASP 740 Ca 0.04 0.62 -0.11 0.00 0.43 0.00 0.00 52.55 53.52 3a6p s ASP 740 Cb 0.08 -2.29 -0.03 0.00 -0.30 0.00 0.00 42.92 40.37 3a6p s ASP 740 CO 0.57 -0.24 1.18 0.25 -0.17 0.00 0.00 175.17 176.76 3a6p h LEU 741 N 8.36 -0.65 -1.87 -1.34 6.46 -1.99 -0.23 115.31 124.06 3a6p h LEU 741 Ca -0.31 0.09 0.47 0.00 -0.12 0.00 0.00 57.88 58.00 3a6p h LEU 741 Cb 1.15 0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 41.28 3a6p h LEU 741 CO 0.73 -0.13 1.23 -0.08 -0.62 0.00 0.00 178.44 179.58 3a6p h GLU 742 N -0.11 0.00 0.04 1.25 4.57 -1.96 0.35 114.58 118.72 3a6p h GLU 742 Ca 0.03 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.92 3a6p h GLU 742 Cb 0.19 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3a6p h GLU 742 CO -0.22 0.00 -1.61 1.49 -1.18 0.00 0.00 179.01 177.48 3a6p h GLU 743 N 0.00 0.09 -0.19 1.92 4.81 -1.53 -3.30 114.58 116.38 3a6p h GLU 743 Ca 0.77 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.73 3a6p h GLU 743 Cb 3.22 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 32.65 3a6p h GLU 743 CO -0.01 0.79 -0.39 0.00 -0.73 0.00 0.00 179.01 178.67 3a6p h ALA 744 N 0.77 0.98 0.33 2.92 0.00 0.13 -2.90 119.26 121.49 3a6p h ALA 744 Ca -0.26 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 3a6p h ALA 744 Cb 1.98 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3a6p h ALA 744 CO 0.10 0.61 -0.16 0.87 0.00 0.00 0.00 179.25 180.68 3a6p h LYS 745 N 0.36 -0.42 0.00 0.00 1.57 -1.43 -2.35 116.57 114.29 3a6p h LYS 745 Ca 0.03 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3a6p h LYS 745 Cb 0.84 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3a6p h LYS 745 CO 0.07 -0.24 -0.12 0.00 -0.57 0.00 0.00 179.45 178.58 3a6p h ALA 746 N 0.16 1.50 -0.07 3.86 0.00 -1.58 -1.69 119.26 121.44 3a6p h ALA 746 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3a6p h ALA 746 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a6p h ALA 746 CO 0.07 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3a6p n GLY 747 N -0.94 0.53 1.53 0.00 0.00 -1.16 -4.95 105.19 100.20 3a6p n GLY 747 Ca -0.02 -0.55 -0.00 0.00 0.00 0.00 0.00 46.02 45.44 3a6p n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6p n GLY 748 N 1.26 0.66 0.00 -0.02 0.00 -0.63 -0.08 105.19 106.38 3a6p n GLY 748 Ca 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 3a6p n GLY 748 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3a6p n PHE 749 N -1.43 0.00 -2.08 1.61 3.01 -0.89 -4.50 117.46 113.18 3a6p n PHE 749 Ca -0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 3a6p n PHE 749 Cb 0.50 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 3a6p n PHE 749 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3a6p s VAL 750 N -2.01 3.69 -0.10 -4.37 0.11 -1.22 -0.72 120.40 115.78 3a6p s VAL 750 Ca -0.01 0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 59.85 3a6p s VAL 750 Cb 0.00 -3.58 -0.25 0.00 -1.53 0.00 0.00 36.38 31.02 3a6p s VAL 750 CO 0.02 -0.13 0.46 0.52 -3.33 0.00 0.00 175.10 172.63 3a6p n VAL 751 N 5.74 1.73 -1.06 2.04 0.31 0.18 -4.95 118.33 122.34 3a6p n VAL 751 Ca 0.17 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 3a6p n VAL 751 Cb 0.44 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 3a6p n VAL 751 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a6p n GLY 752 N 1.86 1.24 2.99 2.92 0.00 -1.24 -5.00 105.19 107.97 3a6p n GLY 752 Ca -0.27 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 3a6p n GLY 752 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a6p s TYR 753 N -0.18 0.42 0.97 1.61 2.02 -1.26 -0.61 117.35 120.32 3a6p s TYR 753 Ca 0.00 -0.33 -0.13 0.00 -0.37 0.00 0.00 57.07 56.24 3a6p s TYR 753 Cb 0.00 -0.27 0.06 0.00 -0.40 0.00 0.00 41.96 41.36 3a6p s TYR 753 CO 0.00 -0.08 0.49 2.41 -1.57 0.00 0.00 175.55 176.80 3a6p n THR 754 N 2.10 0.00 -0.20 -0.71 -1.04 0.49 -4.75 114.28 110.17 3a6p n THR 754 Ca -0.19 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 3a6p n THR 754 Cb 0.56 -0.68 0.09 0.00 -1.82 0.00 0.00 70.33 68.48 3a6p n THR 754 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3a6p h SER 755 N -1.68 -0.34 1.39 8.00 0.87 -2.02 0.26 113.55 120.03 3a6p h SER 755 Ca -0.45 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3a6p h SER 755 Cb 1.29 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 3a6p h SER 755 CO 0.36 -0.13 0.00 -1.28 -0.53 0.00 0.00 176.83 175.24 3a6p h SER 756 N 0.08 0.00 0.00 6.23 0.87 -2.05 -3.46 113.55 115.22 3a6p h SER 756 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 3a6p h SER 756 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3a6p h SER 756 CO -0.54 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.37 3a6p n GLY 757 N 0.57 0.83 3.51 5.77 0.00 0.91 -5.10 105.19 111.68 3a6p n GLY 757 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3a6p n GLY 757 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a6p s ASN 758 N -1.62 4.29 0.68 1.61 0.01 -1.25 -4.73 114.94 113.93 3a6p s ASN 758 Ca 0.00 -0.14 -0.15 0.00 -0.71 0.00 0.00 52.86 51.86 3a6p s ASN 758 Cb 0.00 -1.08 0.01 0.00 0.41 0.00 0.00 41.25 40.59 3a6p s ASN 758 CO 0.00 0.33 1.15 -2.84 -1.51 0.00 0.00 177.10 174.23 3a6p s PRO 759 N -0.61 2.55 -0.18 -0.60 0.02 -1.26 -0.38 135.00 134.54 3a6p s PRO 759 Ca 0.09 1.55 -0.01 0.00 0.02 0.00 0.00 61.00 62.65 3a6p s PRO 759 Cb -0.11 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.50 3a6p s PRO 759 CO 0.01 -1.47 -0.12 0.42 -0.33 0.00 0.00 177.00 175.51 3a6p s ILE 760 N -2.17 2.83 -0.03 2.83 -1.09 0.22 -4.75 121.20 119.04 3a6p s ILE 760 Ca 0.70 -0.70 -0.03 0.00 -2.23 0.00 0.00 60.65 58.39 3a6p s ILE 760 Cb -0.24 -2.23 -0.04 0.00 -1.58 0.00 0.00 42.46 38.37 3a6p s ILE 760 CO 0.42 0.49 0.15 -0.36 -1.23 0.00 0.00 174.94 174.42 3a6p s PHE 761 N 1.05 3.51 -0.03 3.97 0.40 -1.26 0.51 117.98 126.12 3a6p s PHE 761 Ca -0.01 0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.69 3a6p s PHE 761 Cb -0.15 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 3a6p s PHE 761 CO -0.03 0.64 -0.03 -0.98 0.70 0.00 0.00 175.22 175.53 3a6p s ARG 762 N -1.74 2.77 -0.11 0.44 3.03 0.10 -4.82 118.95 118.63 3a6p s ARG 762 Ca 0.24 -0.58 -0.01 0.00 2.03 0.00 0.00 55.73 57.41 3a6p s ARG 762 Cb -0.12 -2.64 -0.03 0.00 -1.03 0.00 0.00 34.95 31.13 3a6p s ARG 762 CO 0.15 0.64 -0.04 1.21 -1.13 0.00 0.00 175.30 176.13 3a6p s ASN 763 N -1.23 4.83 0.67 -2.89 3.84 -1.26 -4.79 114.94 114.10 3a6p s ASN 763 Ca 0.16 -0.03 0.41 0.00 0.21 0.00 0.00 52.86 53.62 3a6p s ASN 763 Cb -0.11 -1.47 2.23 0.00 -0.55 0.00 0.00 41.25 41.35 3a6p s ASN 763 CO 0.06 0.29 2.26 -0.65 -2.79 0.00 0.00 177.10 176.27 3a6p h PRO 764 N 5.79 0.00 -0.19 0.43 0.11 -1.94 -2.50 132.00 133.70 3a6p h PRO 764 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3a6p h PRO 764 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3a6p h PRO 764 CO 0.57 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 3a6p h THR 766 N 3.83 0.50 -0.75 0.00 2.02 -1.87 0.15 112.91 116.79 3a6p h THR 766 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 3a6p h THR 766 Cb 0.83 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 3a6p h THR 766 CO 0.00 0.00 0.49 -0.08 0.37 0.00 0.00 175.52 176.30 3a6p h GLU 767 N -0.57 0.66 0.20 6.66 4.81 -1.83 -0.36 114.58 124.15 3a6p h GLU 767 Ca -0.03 -0.04 -0.32 0.00 -0.13 0.00 0.00 59.36 58.84 3a6p h GLU 767 Cb 0.49 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.74 3a6p h GLU 767 CO 0.01 0.43 -1.45 0.37 -0.73 0.00 0.00 179.01 177.64 3a6p h GLN 768 N 0.68 0.43 -0.00 1.92 5.75 -1.68 -3.04 115.11 119.17 3a6p h GLN 768 Ca 0.34 -0.74 -0.10 0.00 -0.15 0.00 0.00 58.65 58.00 3a6p h GLN 768 Cb 0.44 0.28 0.01 0.00 1.07 0.00 0.00 27.48 29.27 3a6p h GLN 768 CO -0.12 1.35 -0.40 0.82 -2.65 0.00 0.00 178.83 177.83 3a6p h ILE 769 N 0.12 1.50 -0.95 2.39 1.08 -0.40 -3.22 117.51 118.02 3a6p h ILE 769 Ca -0.23 -2.00 0.20 0.00 -0.39 0.00 0.00 64.86 62.43 3a6p h ILE 769 Cb 2.10 2.69 -0.08 0.00 -3.07 0.00 0.00 36.82 38.46 3a6p h ILE 769 CO 0.24 0.56 0.61 -0.07 -0.69 0.00 0.00 178.15 178.80 3a6p h LEU 770 N -0.33 0.58 -2.42 1.44 3.38 -1.14 1.03 115.31 117.85 3a6p h LEU 770 Ca -0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3a6p h LEU 770 Cb 1.13 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3a6p h LEU 770 CO 0.08 0.23 0.04 0.11 0.09 0.00 0.00 178.44 178.98 3a6p h LYS 771 N 0.58 0.00 -0.01 1.13 1.57 -1.54 -2.36 116.57 115.94 3a6p h LYS 771 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3a6p h LYS 771 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3a6p h LYS 771 CO -0.26 0.00 -0.56 1.28 -0.57 0.00 0.00 179.45 179.34 3a6p n LEU 772 N -2.81 1.17 -0.16 2.94 4.77 0.35 -4.50 117.00 118.76 3a6p n LEU 772 Ca -0.02 -0.62 -0.04 0.00 -0.03 0.00 0.00 56.01 55.29 3a6p n LEU 772 Cb 0.10 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 3a6p n LEU 772 CO 0.16 0.25 1.01 0.25 -1.33 0.00 0.00 177.39 177.73 3a6p h LEU 773 N 0.87 0.33 -1.34 2.23 6.46 -1.17 -2.36 115.31 120.32 3a6p h LEU 773 Ca 0.00 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 3a6p h LEU 773 Cb 0.46 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 3a6p h LEU 773 CO 0.00 0.23 0.47 0.44 -0.62 0.00 0.00 178.44 178.96 3a6p h ASP 774 N 0.47 0.75 1.59 1.25 3.32 -1.79 -0.57 116.42 121.43 3a6p h ASP 774 Ca 0.23 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3a6p h ASP 774 Cb 0.16 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3a6p h ASP 774 CO -0.17 0.51 0.00 0.78 -1.72 0.00 0.00 179.24 178.64 3a6p h ASN 775 N 0.87 0.00 0.05 6.45 2.35 -1.73 -1.06 115.58 122.51 3a6p h ASN 775 Ca 0.28 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3a6p h ASN 775 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3a6p h ASN 775 CO -0.08 0.00 -0.02 0.25 -1.65 0.00 0.00 177.43 175.93 3a6p h LEU 776 N 0.00 -0.06 -1.13 1.61 6.46 -0.77 0.15 115.31 121.57 3a6p h LEU 776 Ca 0.00 -0.60 -0.03 0.00 -0.12 0.00 0.00 57.88 57.13 3a6p h LEU 776 Cb 0.79 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 3a6p h LEU 776 CO 0.00 0.66 0.22 -0.07 -0.62 0.00 0.00 178.44 178.63 3a6p h LEU 777 N -0.87 0.76 0.12 2.25 3.38 -1.32 0.54 115.31 120.18 3a6p h LEU 777 Ca -0.01 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3a6p h LEU 777 Cb 0.65 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3a6p h LEU 777 CO 0.01 0.69 -0.42 0.00 0.09 0.00 0.00 178.44 178.81 3a6p h ALA 778 N 1.42 -0.93 -0.65 1.53 0.00 -1.13 -0.30 119.26 119.21 3a6p h ALA 778 Ca 0.20 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3a6p h ALA 778 Cb 0.17 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3a6p h ALA 778 CO -0.02 -1.02 0.37 1.25 0.00 0.00 0.00 179.25 179.83 3a6p h LEU 779 N -0.62 0.56 -0.44 0.00 5.85 0.17 -1.45 115.31 119.38 3a6p h LEU 779 Ca -0.01 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3a6p h LEU 779 Cb 0.61 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3a6p h LEU 779 CO -0.21 0.37 0.04 0.40 -0.34 0.00 0.00 178.44 178.70 3a6p h ILE 780 N 0.69 0.71 0.44 4.05 2.04 0.18 0.39 117.51 126.01 3a6p h ILE 780 Ca 0.28 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 3a6p h ILE 780 Cb 0.14 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3a6p h ILE 780 CO -0.16 0.03 -0.21 -0.09 0.00 0.00 0.00 178.15 177.72 3a6p h ARG 781 N 0.16 -0.57 -0.69 2.37 2.43 -0.47 -1.02 114.38 116.60 3a6p h ARG 781 Ca 0.22 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.55 3a6p h ARG 781 Cb 0.30 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.90 3a6p h ARG 781 CO -0.33 -0.36 0.26 1.15 -1.51 0.00 0.00 179.97 179.17 3a6p h THR 782 N -0.62 0.69 -0.74 0.20 2.02 -1.04 -1.47 112.91 111.95 3a6p h THR 782 Ca -0.06 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3a6p h THR 782 Cb 0.47 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3a6p h THR 782 CO 0.10 0.08 0.29 -0.74 0.37 0.00 0.00 175.52 175.61 3a6p h HIS 783 N 0.41 1.14 -0.55 3.16 -0.00 0.38 -1.64 115.15 118.06 3a6p h HIS 783 Ca 0.37 -0.09 -0.07 0.00 -0.00 0.00 0.00 60.37 60.57 3a6p h HIS 783 Cb 0.52 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 3a6p h HIS 783 CO -0.18 0.88 0.05 -0.91 -0.00 0.00 0.00 177.93 177.76 3a6p h ASN 784 N 1.07 0.86 -0.18 3.26 -0.26 -0.31 -1.67 115.58 118.35 3a6p h ASN 784 Ca 0.25 -0.20 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3a6p h ASN 784 Cb 0.23 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 3a6p h ASN 784 CO -0.02 0.90 0.06 0.74 -1.06 0.00 0.00 177.43 178.05 3a6p h THR 785 N 0.84 1.12 0.00 2.81 2.02 -0.84 -2.84 112.91 116.03 3a6p h THR 785 Ca 0.17 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3a6p h THR 785 Cb 0.44 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3a6p h THR 785 CO 0.02 0.15 0.07 0.18 0.37 0.00 0.00 175.52 176.31 3a6p n LEU 786 N -4.40 0.39 0.03 2.58 4.32 -0.63 -1.77 117.00 117.53 3a6p n LEU 786 Ca 0.01 0.65 0.13 0.00 -0.02 0.00 0.00 56.01 56.77 3a6p n LEU 786 Cb 0.15 -0.68 0.34 0.00 -1.62 0.00 0.00 43.42 41.61 3a6p n LEU 786 CO 0.36 -0.79 0.60 -1.22 -1.22 0.00 0.00 177.39 175.12 3a6p n TYR 787 N -2.04 0.25 -1.68 -1.77 4.02 -1.07 -3.17 117.16 111.70 3a6p n TYR 787 Ca -0.01 0.07 -0.44 0.00 -0.01 0.00 0.00 57.90 57.51 3a6p n TYR 787 Cb 0.10 -0.50 -0.02 0.00 -0.02 0.00 0.00 39.34 38.90 3a6p n TYR 787 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3a6p n ALA 788 N -1.62 1.36 0.25 -0.72 0.00 -0.73 -4.82 120.51 114.24 3a6p n ALA 788 Ca 0.05 0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.97 3a6p n ALA 788 Cb 0.37 -2.31 0.60 0.00 0.00 0.00 0.00 19.45 18.11 3a6p n ALA 788 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3a6p h PRO 789 N 4.30 0.00 0.00 0.00 0.13 -1.91 0.46 132.00 134.98 3a6p h PRO 789 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3a6p h PRO 789 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3a6p h PRO 789 CO 0.76 0.07 0.00 -0.85 -0.23 0.00 0.00 178.00 177.75 3a6p n GLU 790 N -4.43 0.53 -0.12 0.86 0.00 -1.26 -1.48 120.64 114.74 3a6p n GLU 790 Ca -0.03 0.02 -0.20 0.00 0.00 0.00 0.00 57.16 56.95 3a6p n GLU 790 Cb 0.15 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.99 3a6p n GLU 790 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3a6p n MET 791 N -1.21 0.58 0.27 3.44 2.81 -0.17 -4.30 117.12 118.54 3a6p n MET 791 Ca 0.15 0.17 0.12 0.00 -1.81 0.00 0.00 57.70 56.33 3a6p n MET 791 Cb 0.19 -1.45 0.74 0.00 -0.71 0.00 0.00 33.22 31.98 3a6p n MET 791 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3a6p h LEU 792 N -0.32 0.00 0.00 4.03 5.85 -0.94 0.04 115.31 123.96 3a6p h LEU 792 Ca -0.57 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3a6p h LEU 792 Cb 1.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.77 3a6p h LEU 792 CO -0.19 0.09 -0.28 0.00 -0.34 0.00 0.00 178.44 177.71 3a6p n ALA 793 N -2.35 3.00 1.21 1.25 0.00 -0.55 -2.03 120.51 121.03 3a6p n ALA 793 Ca -0.02 -0.24 0.14 0.00 0.00 0.00 0.00 53.44 53.32 3a6p n ALA 793 Cb 0.18 -1.28 0.67 0.00 0.00 0.00 0.00 19.45 19.03 3a6p n ALA 793 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a6p n LYS 794 N -1.52 0.26 -2.11 0.00 5.02 -0.00 -4.82 118.16 114.99 3a6p n LYS 794 Ca 0.06 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.08 3a6p n LYS 794 Cb 0.34 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.88 3a6p n LYS 794 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3a6p s MET 795 N -2.72 3.15 0.26 1.97 -1.94 -0.86 -4.64 119.30 114.52 3a6p s MET 795 Ca 0.22 0.38 -0.09 0.00 -1.71 0.00 0.00 55.69 54.49 3a6p s MET 795 Cb 0.19 -2.15 -0.07 0.00 2.01 0.00 0.00 34.83 34.81 3a6p s MET 795 CO 0.46 -0.72 0.57 0.00 -0.01 0.00 0.00 175.02 175.32 3a6p s ALA 796 N -3.14 3.56 0.34 3.03 0.00 0.28 -4.92 121.76 120.91 3a6p s ALA 796 Ca 0.55 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.22 3a6p s ALA 796 Cb -0.11 -2.43 0.68 0.00 0.00 0.00 0.00 23.12 21.27 3a6p s ALA 796 CO 0.50 0.39 1.93 1.49 0.00 0.00 0.00 175.76 180.07 3a6p h GLU 797 N 2.21 0.81 -1.12 0.00 4.81 -1.94 0.34 114.58 119.69 3a6p h GLU 797 Ca -0.47 -0.05 0.39 0.00 -0.13 0.00 0.00 59.36 59.10 3a6p h GLU 797 Cb 1.18 -0.18 -0.15 0.00 0.63 0.00 0.00 28.75 30.23 3a6p h GLU 797 CO 0.68 0.54 0.67 -1.35 -0.73 0.00 0.00 179.01 178.81 3a6p h PRO 798 N 0.84 0.15 -1.24 0.92 0.11 -1.94 -3.28 132.00 127.56 3a6p h PRO 798 Ca 0.36 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.96 3a6p h PRO 798 Cb 0.31 -0.03 -0.41 0.00 0.11 0.00 0.00 31.00 30.97 3a6p h PRO 798 CO -0.13 0.10 -0.89 1.19 -0.21 0.00 0.00 178.00 178.05 3a6p n PHE 799 N -4.96 2.60 0.06 0.65 3.72 0.12 -4.80 117.46 114.85 3a6p n PHE 799 Ca 0.35 -2.89 0.05 0.00 -0.05 0.00 0.00 57.45 54.92 3a6p n PHE 799 Cb 1.23 -0.20 -0.05 0.00 -0.94 0.00 0.00 39.48 39.52 3a6p n PHE 799 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3a6p n THR 800 N -0.39 0.93 -1.44 4.37 5.66 -1.22 -3.17 114.28 119.02 3a6p n THR 800 Ca 0.29 -0.63 -0.26 0.00 -3.05 0.00 0.00 64.05 60.41 3a6p n THR 800 Cb 0.74 -0.56 0.11 0.00 -1.55 0.00 0.00 70.33 69.08 3a6p n THR 800 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3a6p n LYS 801 N -2.79 2.60 0.21 1.09 5.02 -1.26 -4.51 118.16 118.52 3a6p n LYS 801 Ca -0.06 -3.35 0.06 0.00 -2.02 0.00 0.00 58.31 52.94 3a6p n LYS 801 Cb 0.71 -2.19 0.55 0.00 -0.02 0.00 0.00 35.03 34.08 3a6p n LYS 801 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a6p h ALA 802 N 1.64 1.83 -0.33 7.82 0.00 -1.89 -3.04 119.26 125.30 3a6p h ALA 802 Ca 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3a6p h ALA 802 Cb 1.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3a6p h ALA 802 CO 1.16 0.13 0.00 1.28 0.00 0.00 0.00 179.25 181.83 3a6p n LEU 803 N -4.44 3.39 -4.98 0.00 4.32 -1.26 -3.98 117.00 110.04 3a6p n LEU 803 Ca -0.02 -2.42 -0.21 0.00 -0.02 0.00 0.00 56.01 53.33 3a6p n LEU 803 Cb 0.15 -0.37 0.06 0.00 -1.62 0.00 0.00 43.42 41.64 3a6p n LEU 803 CO 0.35 0.71 0.41 -1.81 -1.22 0.00 0.00 177.39 175.83 3a6p s ASP 804 N -1.36 5.00 0.27 -1.43 1.01 -1.15 -5.05 116.67 113.96 3a6p s ASP 804 Ca 0.32 -0.20 -0.29 0.00 0.71 0.00 0.00 52.55 53.09 3a6p s ASP 804 Cb 0.22 -0.52 -0.09 0.00 1.01 0.00 0.00 42.92 43.54 3a6p s ASP 804 CO 0.13 -1.35 0.99 -0.04 0.21 0.00 0.00 175.17 175.11 3a6p s MET 805 N -4.85 4.74 0.41 8.23 -1.94 -1.26 -4.95 119.30 119.67 3a6p s MET 805 Ca 0.60 1.57 -0.25 0.00 -1.71 0.00 0.00 55.69 55.91 3a6p s MET 805 Cb -0.08 -3.17 -0.08 0.00 2.01 0.00 0.00 34.83 33.50 3a6p s MET 805 CO 0.40 0.37 1.17 -0.51 -0.01 0.00 0.00 175.02 176.44 3a6p s LEU 806 N -1.41 4.17 0.45 -0.03 1.02 -1.26 -4.88 118.68 116.74 3a6p s LEU 806 Ca 0.44 2.35 0.21 0.00 0.02 0.00 0.00 54.13 57.14 3a6p s LEU 806 Cb -0.27 -4.05 1.07 0.00 0.02 0.00 0.00 46.19 42.96 3a6p s LEU 806 CO 0.34 -0.71 1.94 0.44 0.02 0.00 0.00 176.35 178.38 3a6p h ASP 807 N 2.56 0.00 -0.62 2.29 5.19 -2.00 0.80 116.42 124.64 3a6p h ASP 807 Ca -0.49 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.03 3a6p h ASP 807 Cb 1.24 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.63 3a6p h ASP 807 CO 0.62 0.23 -0.32 0.00 -3.12 0.00 0.00 179.24 176.65 3a6p h ALA 808 N 1.77 0.02 0.00 3.45 0.00 -2.01 -2.67 119.26 119.82 3a6p h ALA 808 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3a6p h ALA 808 Cb 0.51 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3a6p h ALA 808 CO 0.03 -0.65 0.00 0.39 0.00 0.00 0.00 179.25 179.02 3a6p n GLU 809 N -5.44 0.35 -0.03 0.00 1.02 0.28 -2.42 120.64 114.39 3a6p n GLU 809 Ca 0.05 0.02 -0.02 0.00 -0.02 0.00 0.00 57.16 57.20 3a6p n GLU 809 Cb 0.36 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.27 3a6p n GLU 809 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3a6p h LYS 810 N 0.00 0.00 -0.17 3.49 1.57 -1.11 -3.27 116.57 117.07 3a6p h LYS 810 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3a6p h LYS 810 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3a6p h LYS 810 CO 0.00 0.00 0.19 0.66 -0.57 0.00 0.00 179.45 179.73 3a6p h SER 811 N -0.39 0.00 -0.11 0.86 4.64 -1.67 -1.44 113.55 115.43 3a6p h SER 811 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3a6p h SER 811 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 3a6p h SER 811 CO 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 176.83 175.77 3a6p h ALA 812 N 1.79 -0.50 -0.05 5.18 0.00 -1.61 -2.66 119.26 121.41 3a6p h ALA 812 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a6p h ALA 812 Cb 0.45 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3a6p h ALA 812 CO -0.00 -0.59 0.00 0.44 0.00 0.00 0.00 179.25 179.10 3a6p n ILE 813 N -3.60 0.06 0.41 0.00 -5.35 -0.58 -2.37 119.36 107.93 3a6p n ILE 813 Ca -0.01 -0.17 0.12 0.00 -0.27 0.00 0.00 62.75 62.41 3a6p n ILE 813 Cb 0.12 0.10 0.23 0.00 -1.74 0.00 0.00 39.64 38.35 3a6p n ILE 813 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3a6p n LEU 814 N -0.22 3.27 0.00 7.28 4.77 -0.96 -4.95 117.00 126.18 3a6p n LEU 814 Ca 0.18 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 3a6p n LEU 814 Cb 0.24 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3a6p n LEU 814 CO 0.15 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3a6p n GLY 815 N 1.47 1.58 3.55 -0.72 0.00 -1.00 -4.94 105.19 105.13 3a6p n GLY 815 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3a6p n GLY 815 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a6p s LEU 816 N 0.00 3.34 0.00 0.99 2.96 -1.01 -4.98 118.68 119.98 3a6p s LEU 816 Ca 0.00 0.65 -0.21 0.00 -0.22 0.00 0.00 54.13 54.35 3a6p s LEU 816 Cb 0.00 -2.52 0.32 0.00 0.50 0.00 0.00 46.19 44.50 3a6p s LEU 816 CO 0.00 -2.62 0.91 -2.65 -1.32 0.00 0.00 176.35 170.67 3a6p n PRO 817 N 9.11 -3.89 -4.34 0.98 -0.02 -1.26 -4.49 135.00 131.08 3a6p n PRO 817 Ca 0.28 -1.49 -0.20 0.00 -2.02 0.00 0.00 63.50 60.06 3a6p n PRO 817 Cb 0.53 -1.66 -0.11 0.00 -0.02 0.00 0.00 33.50 32.25 3a6p n PRO 817 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3a6p s GLN 818 N -5.13 1.31 0.42 -0.52 -1.52 -1.26 -5.04 119.66 107.93 3a6p s GLN 818 Ca 0.64 -1.50 -0.11 0.00 -1.95 0.00 0.00 55.36 52.45 3a6p s GLN 818 Cb -0.09 -1.24 -0.06 0.00 -0.22 0.00 0.00 33.01 31.40 3a6p s GLN 818 CO 0.52 0.23 0.79 -1.25 -0.25 0.00 0.00 175.29 175.33 3a6p s PRO 819 N -3.20 3.78 -0.70 2.91 0.04 -1.26 -5.02 135.00 131.54 3a6p s PRO 819 Ca 0.19 0.50 -0.21 0.00 0.04 0.00 0.00 61.00 61.53 3a6p s PRO 819 Cb -0.03 -2.36 0.09 0.00 0.04 0.00 0.00 34.50 32.24 3a6p s PRO 819 CO 0.07 -0.07 0.93 -0.51 0.04 0.00 0.00 177.00 177.45 3a6p s LEU 820 N -3.93 4.79 0.39 -3.56 1.43 -1.26 -5.04 118.68 111.50 3a6p s LEU 820 Ca 0.52 -1.33 -0.27 0.00 -1.03 0.00 0.00 54.13 52.02 3a6p s LEU 820 Cb -0.10 -2.38 -0.10 0.00 0.03 0.00 0.00 46.19 43.63 3a6p s LEU 820 CO 0.32 -1.28 1.44 -0.76 0.23 0.00 0.00 176.35 176.30 3a6p s LEU 821 N 3.41 4.28 0.27 1.79 1.02 -1.26 -4.97 118.68 123.22 3a6p s LEU 821 Ca 0.21 2.95 -0.29 0.00 0.02 0.00 0.00 54.13 57.02 3a6p s LEU 821 Cb -0.16 -3.74 -0.09 0.00 0.02 0.00 0.00 46.19 42.22 3a6p s LEU 821 CO 0.05 -0.89 1.21 -0.70 0.02 0.00 0.00 176.35 176.05 3a6p s GLU 822 N -2.14 4.49 0.45 1.70 2.56 -1.26 -4.94 118.70 119.56 3a6p s GLU 822 Ca 0.54 1.99 0.30 0.00 0.00 0.00 0.00 54.97 57.80 3a6p s GLU 822 Cb -0.44 -3.16 1.14 0.00 2.00 0.00 0.00 34.13 33.67 3a6p s GLU 822 CO 0.59 -0.04 1.87 -0.07 -0.56 0.00 0.00 175.26 177.06 3a6p h LEU 823 N 4.17 0.00 -1.11 2.70 3.38 -1.97 -2.38 115.31 120.11 3a6p h LEU 823 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3a6p h LEU 823 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3a6p h LEU 823 CO 0.69 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.81 3a6p n ASN 824 N -2.85 1.57 -4.05 -0.43 4.13 -1.26 -1.52 115.26 110.85 3a6p n ASN 824 Ca 0.02 -2.08 -0.16 0.00 1.68 0.00 0.00 54.58 54.03 3a6p n ASN 824 Cb 0.32 -0.27 -0.13 0.00 -1.54 0.00 0.00 39.78 38.16 3a6p n ASN 824 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3a6p s ASP 825 N -0.78 1.02 -0.59 6.41 2.15 -0.90 -4.98 116.67 119.01 3a6p s ASP 825 Ca 0.16 -0.35 0.06 0.00 0.43 0.00 0.00 52.55 52.85 3a6p s ASP 825 Cb 0.09 -0.05 0.29 0.00 -0.30 0.00 0.00 42.92 42.95 3a6p s ASP 825 CO 0.09 -0.02 0.80 -1.54 -0.17 0.00 0.00 175.17 174.32 3a6p n SER 826 N 2.18 3.66 -0.01 -0.34 3.41 -1.26 -3.87 113.62 117.39 3a6p n SER 826 Ca -0.17 -3.46 -0.07 0.00 -0.26 0.00 0.00 58.87 54.90 3a6p n SER 826 Cb 0.56 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 3a6p n SER 826 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3a6p h PRO 827 N 3.70 -0.09 -5.79 4.33 0.13 -1.97 -3.39 132.00 128.91 3a6p h PRO 827 Ca 0.16 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.78 3a6p h PRO 827 Cb 0.63 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3a6p h PRO 827 CO 0.79 0.32 1.56 0.08 -0.23 0.00 0.00 178.00 180.52 3a6p s VAL 828 N -2.36 3.04 0.10 1.56 1.01 -1.26 -4.96 120.40 117.54 3a6p s VAL 828 Ca -0.09 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 3a6p s VAL 828 Cb -0.01 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.22 3a6p s VAL 828 CO 0.34 -0.07 0.51 -0.36 0.00 0.00 0.00 175.10 175.53 3a6p s PHE 829 N 10.46 3.67 -1.21 5.22 0.40 -1.26 -5.00 117.98 130.25 3a6p s PHE 829 Ca 0.96 1.07 -0.19 0.00 -0.60 0.00 0.00 56.93 58.17 3a6p s PHE 829 Cb -0.23 -2.36 -0.02 0.00 0.51 0.00 0.00 43.02 40.92 3a6p s PHE 829 CO 0.29 0.51 1.90 1.63 0.70 0.00 0.00 175.22 180.26 3a6p n LYS 830 N 1.19 2.40 -0.72 0.44 4.01 -1.26 -4.95 118.16 119.27 3a6p n LYS 830 Ca -0.08 -2.71 -0.24 0.00 -0.51 0.00 0.00 58.31 54.76 3a6p n LYS 830 Cb 0.52 -3.45 -0.01 0.00 -0.51 0.00 0.00 35.03 31.57 3a6p n LYS 830 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3a6p n THR 831 N 6.57 0.82 0.06 -0.18 -1.04 -1.26 -4.59 114.28 114.66 3a6p n THR 831 Ca 0.48 -0.27 0.02 0.00 -2.04 0.00 0.00 64.05 62.25 3a6p n THR 831 Cb 0.44 0.00 0.38 0.00 -1.82 0.00 0.00 70.33 69.33 3a6p n THR 831 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 3a6p h VAL 832 N 0.41 1.16 0.02 12.58 3.04 -1.97 0.42 116.25 131.90 3a6p h VAL 832 Ca -0.16 -0.60 -0.13 0.00 -1.01 0.00 0.00 66.70 64.79 3a6p h VAL 832 Cb 0.76 0.95 0.01 0.00 -2.01 0.00 0.00 31.29 31.00 3a6p h VAL 832 CO 0.28 0.21 -0.53 0.25 -1.01 0.00 0.00 177.57 176.77 3a6p h LEU 833 N 0.38 0.43 -1.66 3.16 5.85 -1.89 -2.93 115.31 118.65 3a6p h LEU 833 Ca 0.09 -0.80 -0.03 0.00 0.84 0.00 0.00 57.88 57.98 3a6p h LEU 833 Cb 0.24 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3a6p h LEU 833 CO 0.00 1.18 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.83 3a6p h GLU 834 N -0.26 0.06 -0.46 1.25 4.39 -1.84 -0.37 114.58 117.35 3a6p h GLU 834 Ca -0.07 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 3a6p h GLU 834 Cb 1.28 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 3a6p h GLU 834 CO 0.10 0.19 -0.03 -0.09 -1.16 0.00 0.00 179.01 178.02 3a6p h ARG 835 N 0.06 0.84 0.04 2.33 9.65 -0.17 -2.20 114.38 124.92 3a6p h ARG 835 Ca 0.01 -0.28 -0.24 0.00 -1.10 0.00 0.00 59.98 58.37 3a6p h ARG 835 Cb 0.26 -0.07 0.02 0.00 -1.39 0.00 0.00 29.97 28.79 3a6p h ARG 835 CO 0.02 0.90 -0.96 0.52 2.80 0.00 0.00 179.97 183.25 3a6p h MET 836 N 0.68 0.58 -0.80 0.20 2.86 -1.27 -2.91 114.93 114.27 3a6p h MET 836 Ca 0.13 -0.68 0.13 0.00 -2.06 0.00 0.00 59.70 57.23 3a6p h MET 836 Cb 0.54 0.21 -0.09 0.00 0.06 0.00 0.00 31.60 32.32 3a6p h MET 836 CO 0.03 1.28 0.38 0.37 1.06 0.00 0.00 176.91 180.03 3a6p h GLN 837 N 0.17 0.56 -0.57 1.72 4.15 -1.04 0.16 115.11 120.26 3a6p h GLN 837 Ca -0.13 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 3a6p h GLN 837 Cb 1.65 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 29.19 3a6p h GLN 837 CO 0.19 0.37 0.09 -0.09 -1.93 0.00 0.00 178.83 177.45 3a6p h ARG 838 N 0.57 0.95 0.69 1.69 9.65 -1.44 -3.07 114.38 123.42 3a6p h ARG 838 Ca 0.43 -0.26 -0.03 0.00 -1.10 0.00 0.00 59.98 59.02 3a6p h ARG 838 Cb 0.59 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 3a6p h ARG 838 CO -0.35 0.91 -0.44 0.35 2.80 0.00 0.00 179.97 183.24 3a6p h PHE 839 N 0.85 -1.16 -0.31 2.20 3.57 -0.55 -2.65 116.94 118.89 3a6p h PHE 839 Ca 0.17 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.73 3a6p h PHE 839 Cb 0.43 0.42 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 3a6p h PHE 839 CO 0.03 -0.65 -0.32 0.74 -2.23 0.00 0.00 178.31 175.87 3a6p h PHE 840 N -1.06 -0.90 -0.93 0.41 -1.00 -1.22 0.20 116.94 112.43 3a6p h PHE 840 Ca -0.09 0.05 0.14 0.00 2.81 0.00 0.00 57.97 60.89 3a6p h PHE 840 Cb 0.86 0.44 -0.09 0.00 3.61 0.00 0.00 35.95 40.77 3a6p h PHE 840 CO -0.11 -0.39 0.55 0.77 -1.61 0.00 0.00 178.31 177.52 3a6p h SER 841 N -0.30 0.74 0.13 2.17 0.02 -1.56 0.72 113.55 115.46 3a6p h SER 841 Ca 0.14 0.07 -0.23 0.00 -0.84 0.00 0.00 61.79 60.94 3a6p h SER 841 Cb 0.54 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 63.04 3a6p h SER 841 CO -0.47 0.34 -0.98 0.74 -1.14 0.00 0.00 176.83 175.32 3a6p h THR 842 N 0.80 1.41 -0.60 -2.27 2.02 -1.00 -2.15 112.91 111.12 3a6p h THR 842 Ca 0.49 -2.46 0.02 0.00 0.77 0.00 0.00 66.41 65.24 3a6p h THR 842 Cb 0.63 2.95 -0.04 0.00 -1.74 0.00 0.00 68.15 69.95 3a6p h THR 842 CO -0.32 0.72 0.38 0.25 0.37 0.00 0.00 175.52 176.91 3a6p h LEU 843 N -0.09 0.63 0.70 2.58 5.85 -0.41 0.34 115.31 124.90 3a6p h LEU 843 Ca -0.16 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3a6p h LEU 843 Cb 1.73 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 3a6p h LEU 843 CO 0.19 0.44 -0.46 0.22 -0.34 0.00 0.00 178.44 178.49 3a6p h TYR 844 N 0.75 -1.22 -0.47 1.25 3.20 -0.87 -0.59 116.97 119.02 3a6p h TYR 844 Ca 0.23 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.13 3a6p h TYR 844 Cb -0.02 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3a6p h TYR 844 CO -0.05 -0.67 0.31 0.93 -1.64 0.00 0.00 178.16 177.04 3a6p h GLU 845 N -1.09 0.49 -0.02 1.82 5.08 -1.26 -2.76 114.58 116.84 3a6p h GLU 845 Ca -0.09 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.06 3a6p h GLU 845 Cb 0.88 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3a6p h GLU 845 CO 0.08 0.33 -0.79 -0.91 -1.00 0.00 0.00 179.01 176.72 3a6p h ASN 846 N 0.51 0.27 -0.03 1.42 4.21 -0.01 -0.02 115.58 121.93 3a6p h ASN 846 Ca 0.19 -0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.50 3a6p h ASN 846 Cb 0.12 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.24 3a6p h ASN 846 CO -0.05 0.95 0.01 0.00 -1.29 0.00 0.00 177.43 177.06 3a6p h PHE 848 N -0.12 0.14 -0.52 0.00 -1.00 -1.45 -1.61 116.94 112.39 3a6p h PHE 848 Ca 0.01 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 3a6p h PHE 848 Cb 0.17 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.66 3a6p h PHE 848 CO -0.02 0.17 0.32 0.45 -1.61 0.00 0.00 178.31 177.63 3a6p h HIS 849 N 0.14 0.68 -0.81 -0.55 3.86 -0.48 0.20 115.15 118.19 3a6p h HIS 849 Ca 0.03 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3a6p h HIS 849 Cb 0.14 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.34 3a6p h HIS 849 CO 0.00 0.46 0.51 0.82 0.86 0.00 0.00 177.93 180.58 3a6p h ILE 850 N 0.70 1.12 -0.34 2.45 2.04 -0.68 -0.25 117.51 122.54 3a6p h ILE 850 Ca 0.19 -0.34 -0.16 0.00 1.00 0.00 0.00 64.86 65.55 3a6p h ILE 850 Cb -0.03 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3a6p h ILE 850 CO -0.04 0.18 -0.41 -0.07 0.00 0.00 0.00 178.15 177.81 3a6p h LEU 851 N 0.99 0.95 -0.75 1.44 3.38 -1.22 0.28 115.31 120.38 3a6p h LEU 851 Ca 0.32 -0.49 0.15 0.00 0.09 0.00 0.00 57.88 57.96 3a6p h LEU 851 Cb 0.02 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.41 3a6p h LEU 851 CO -0.12 1.25 0.26 1.23 0.09 0.00 0.00 178.44 181.14 3a6p h GLY 852 N 0.67 1.11 1.18 0.83 0.00 -0.08 -2.45 103.07 104.33 3a6p h GLY 852 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3a6p h GLY 852 CO 0.10 -0.14 -0.54 0.28 0.00 0.00 0.00 176.54 176.23 3a6p n LYS 853 N -5.06 0.19 -0.09 4.80 4.76 -0.15 -4.08 118.16 118.54 3a6p n LYS 853 Ca 0.14 0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.54 3a6p n LYS 853 Cb 0.44 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 3a6p n LYS 853 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3a6p h ALA 854 N 2.68 0.35 0.42 7.82 0.00 -0.45 -2.08 119.26 128.00 3a6p h ALA 854 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3a6p h ALA 854 Cb 0.66 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3a6p h ALA 854 CO 0.00 -0.05 -0.48 0.78 0.00 0.00 0.00 179.25 179.51 3a6p h GLY 855 N 0.29 -1.22 2.00 0.00 0.00 -1.71 -0.18 103.07 102.25 3a6p h GLY 855 Ca 0.09 0.58 -0.04 0.00 0.00 0.00 0.00 47.33 47.96 3a6p h GLY 855 CO -0.01 -0.36 -0.19 -2.55 0.00 0.00 0.00 176.54 173.44 3a6p h PRO 856 N -0.91 0.00 0.03 4.80 0.11 -1.79 -0.57 132.00 133.67 3a6p h PRO 856 Ca -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3a6p h PRO 856 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3a6p h PRO 856 CO -0.09 0.19 -0.02 1.03 -0.21 0.00 0.00 178.00 178.90 3a6p h SER 857 N 0.00 -0.04 1.07 -2.05 0.87 -1.21 -3.39 113.55 108.80 3a6p h SER 857 Ca -0.00 -0.50 -0.16 0.00 -1.23 0.00 0.00 61.79 59.89 3a6p h SER 857 Cb 0.60 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3a6p h SER 857 CO 0.02 0.69 -0.78 0.24 -0.53 0.00 0.00 176.83 176.48 3a6p h MET 858 N -0.97 0.00 0.00 2.24 2.86 -1.02 -3.44 114.93 114.60 3a6p h MET 858 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3a6p h MET 858 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3a6p h MET 858 CO 0.01 0.78 0.00 1.04 1.06 0.00 0.00 176.91 179.80 3a6p n GLN 859 N -3.39 0.00 -0.52 1.72 1.13 -0.23 -3.56 117.38 112.54 3a6p n GLN 859 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.97 3a6p n GLN 859 Cb 0.82 0.00 0.06 0.00 0.11 0.00 0.00 30.24 31.23 3a6p n GLN 859 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a6p n GLN 860 N 13.88 1.50 0.00 -1.09 -0.00 -1.26 -2.10 117.38 128.31 3a6p n GLN 860 Ca 0.00 -1.17 0.06 0.00 -0.00 0.00 0.00 57.00 55.89 3a6p n GLN 860 Cb 0.00 -1.46 -0.04 0.00 -0.00 0.00 0.00 30.24 28.74 3a6p n GLN 860 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3a6p n ASP 861 N -0.03 0.82 -0.10 2.61 9.92 -1.23 -3.95 116.55 124.59 3a6p n ASP 861 Ca 0.23 -0.91 -0.16 0.00 -0.53 0.00 0.00 54.79 53.43 3a6p n ASP 861 Cb 0.90 0.82 -0.09 0.00 -0.64 0.00 0.00 41.12 42.11 3a6p n ASP 861 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3a6p n PHE 862 N -0.91 0.00 -0.17 1.24 7.35 -0.89 -4.22 117.46 119.85 3a6p n PHE 862 Ca 0.03 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.62 3a6p n PHE 862 Cb 0.20 -0.75 0.00 0.00 0.35 0.00 0.00 39.48 39.29 3a6p n PHE 862 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 3a6p h TYR 863 N -0.18 1.09 0.00 -5.13 0.99 -1.75 -1.87 116.97 110.12 3a6p h TYR 863 Ca -0.46 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.04 3a6p h TYR 863 Cb 1.63 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 39.09 3a6p h TYR 863 CO 0.00 1.03 0.00 0.25 -0.00 0.00 0.00 178.16 179.44 3a6p n THR 864 N -4.19 0.00 -2.23 -2.88 -2.24 -1.25 -4.88 114.28 96.60 3a6p n THR 864 Ca 0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 3a6p n THR 864 Cb 0.40 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 3a6p n THR 864 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3a6p s VAL 865 N -1.68 3.10 0.08 2.28 1.01 -0.71 -4.88 120.40 119.60 3a6p s VAL 865 Ca 0.00 1.00 -0.31 0.00 0.00 0.00 0.00 61.98 62.67 3a6p s VAL 865 Cb 0.00 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 3a6p s VAL 865 CO 0.00 0.20 1.88 -0.70 0.00 0.00 0.00 175.10 176.47 3a6p s GLU 866 N -0.93 4.14 -1.61 2.72 2.12 -1.26 -2.24 118.70 121.65 3a6p s GLU 866 Ca 0.52 2.59 -0.01 0.00 0.36 0.00 0.00 54.97 58.43 3a6p s GLU 866 Cb -0.37 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.19 3a6p s GLU 866 CO 0.44 -0.89 0.08 -0.25 -0.54 0.00 0.00 175.26 174.10 3a6p n ASP 867 N 6.47 -5.54 0.11 -1.70 8.00 -1.26 -4.91 116.55 117.73 3a6p n ASP 867 Ca 0.19 -0.05 -0.15 0.00 0.71 0.00 0.00 54.79 55.49 3a6p n ASP 867 Cb 0.39 -4.55 -0.08 0.00 -0.02 0.00 0.00 41.12 36.86 3a6p n ASP 867 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3a6p h LEU 868 N -0.17 -1.31 -1.27 0.64 6.46 -1.80 -0.37 115.31 117.49 3a6p h LEU 868 Ca -0.46 0.14 0.23 0.00 -0.12 0.00 0.00 57.88 57.67 3a6p h LEU 868 Cb 1.34 0.49 -0.09 0.00 -0.73 0.00 0.00 40.66 41.66 3a6p h LEU 868 CO 0.53 -0.50 0.63 0.00 -0.62 0.00 0.00 178.44 178.48 3a6p h ALA 869 N -0.24 2.02 -0.05 1.25 0.00 -1.86 0.55 119.26 120.93 3a6p h ALA 869 Ca 0.02 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3a6p h ALA 869 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3a6p h ALA 869 CO -0.25 -0.39 -0.28 1.15 0.00 0.00 0.00 179.25 179.47 3a6p h THR 870 N 0.53 1.45 -0.46 0.00 2.02 -1.65 -0.31 112.91 114.49 3a6p h THR 870 Ca 0.56 -1.73 0.08 0.00 0.77 0.00 0.00 66.41 66.09 3a6p h THR 870 Cb 1.22 2.41 -0.07 0.00 -1.74 0.00 0.00 68.15 69.97 3a6p h THR 870 CO -0.30 0.49 0.06 1.56 0.37 0.00 0.00 175.52 177.70 3a6p h GLN 871 N -0.25 0.18 -0.49 6.66 4.20 0.54 0.32 115.11 126.26 3a6p h GLN 871 Ca -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3a6p h GLN 871 Cb 0.94 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 3a6p h GLN 871 CO 0.06 0.12 0.32 -0.07 -0.67 0.00 0.00 178.83 178.59 3a6p h LEU 872 N 0.19 0.57 -0.74 1.46 3.38 0.18 -2.31 115.31 118.04 3a6p h LEU 872 Ca 0.23 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3a6p h LEU 872 Cb 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3a6p h LEU 872 CO -0.32 0.43 0.40 -0.07 0.09 0.00 0.00 178.44 178.97 3a6p h LEU 873 N 0.66 0.93 0.00 1.67 3.38 -0.74 0.61 115.31 121.83 3a6p h LEU 873 Ca 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3a6p h LEU 873 Cb -0.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3a6p h LEU 873 CO -0.04 0.76 0.00 -1.54 0.09 0.00 0.00 178.44 177.71 3a6p n SER 874 N -4.46 0.00 0.00 -0.43 3.41 0.07 -3.55 113.62 108.66 3a6p n SER 874 Ca 0.07 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 3a6p n SER 874 Cb 0.09 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3a6p n SER 874 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3a6p n SER 875 N -1.15 0.06 -0.12 4.04 7.64 -0.89 -4.59 113.62 118.62 3a6p n SER 875 Ca 0.19 0.01 -0.10 0.00 1.01 0.00 0.00 58.87 59.97 3a6p n SER 875 Cb 0.18 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 3a6p n SER 875 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a6p h ALA 876 N 0.00 0.45 -0.92 -0.43 0.00 -1.11 -3.14 119.26 114.11 3a6p h ALA 876 Ca 0.00 -0.22 -0.64 0.00 0.00 0.00 0.00 54.91 54.04 3a6p h ALA 876 Cb 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 17.79 17.40 3a6p h ALA 876 CO 0.00 0.19 0.83 1.19 0.00 0.00 0.00 179.25 181.46 3a6p n PHE 877 N -4.55 2.96 0.03 0.00 3.01 -1.00 -4.71 117.46 113.20 3a6p n PHE 877 Ca -0.02 -2.80 -0.21 0.00 1.01 0.00 0.00 57.45 55.43 3a6p n PHE 877 Cb 0.25 -1.36 -0.14 0.00 -0.01 0.00 0.00 39.48 38.21 3a6p n PHE 877 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3a6p h VAL 878 N 1.14 0.76 -0.77 -4.37 3.04 -1.60 -3.41 116.25 111.04 3a6p h VAL 878 Ca 0.56 -2.43 -0.46 0.00 -1.01 0.00 0.00 66.70 63.36 3a6p h VAL 878 Cb 0.73 2.61 -0.42 0.00 -2.01 0.00 0.00 31.29 32.20 3a6p h VAL 878 CO 1.46 0.87 -0.92 -3.20 -1.01 0.00 0.00 177.57 174.78 3a6p n ASN 879 N -3.51 3.74 0.23 3.17 5.15 -1.26 -4.88 115.26 117.90 3a6p n ASN 879 Ca -0.28 -3.20 0.09 0.00 -0.60 0.00 0.00 54.58 50.59 3a6p n ASN 879 Cb 1.06 -0.41 0.53 0.00 -0.53 0.00 0.00 39.78 40.43 3a6p n ASN 879 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3a6p h LEU 880 N 2.40 0.00 -2.02 1.20 3.38 -1.93 -0.39 115.31 117.95 3a6p h LEU 880 Ca 0.19 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3a6p h LEU 880 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3a6p h LEU 880 CO 0.59 0.23 0.03 0.78 0.09 0.00 0.00 178.44 180.17 3a6p h ASN 881 N 0.00 0.00 0.00 -0.43 2.35 -1.96 -2.69 115.58 112.85 3a6p h ASN 881 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3a6p h ASN 881 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 3a6p h ASN 881 CO 0.03 0.00 -1.61 0.59 -1.65 0.00 0.00 177.43 174.79 3a6p n ASN 882 N -4.49 1.40 -4.68 5.81 3.02 -0.20 -4.95 115.26 111.16 3a6p n ASN 882 Ca -0.02 -0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.03 3a6p n ASN 882 Cb 0.13 1.64 -0.03 0.00 -0.61 0.00 0.00 39.78 40.92 3a6p n ASN 882 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3a6p s ILE 883 N -3.01 2.80 0.97 2.41 1.09 -0.92 -4.81 121.20 119.72 3a6p s ILE 883 Ca -0.05 0.15 -0.12 0.00 -1.10 0.00 0.00 60.65 59.53 3a6p s ILE 883 Cb 0.10 -3.09 0.17 0.00 -1.06 0.00 0.00 42.46 38.58 3a6p s ILE 883 CO 0.64 -0.00 1.10 -2.84 -0.10 0.00 0.00 174.94 173.74 3a6p s PRO 884 N 3.26 0.66 0.09 2.79 0.02 -1.26 -4.88 135.00 135.67 3a6p s PRO 884 Ca 0.81 0.50 -0.27 0.00 0.02 0.00 0.00 61.00 62.06 3a6p s PRO 884 Cb -0.43 -1.77 -0.15 0.00 0.02 0.00 0.00 34.50 32.17 3a6p s PRO 884 CO 0.37 -2.57 1.69 -0.44 -0.33 0.00 0.00 177.00 175.72 3a6p h ASP 885 N -1.77 -0.36 0.00 2.53 3.32 -1.95 -2.33 116.42 115.87 3a6p h ASP 885 Ca -0.53 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3a6p h ASP 885 Cb 1.32 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.98 3a6p h ASP 885 CO 0.58 -0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 3a6p n TYR 886 N -5.26 0.00 0.00 4.55 0.18 -1.26 -1.71 117.16 113.66 3a6p n TYR 886 Ca -0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.69 3a6p n TYR 886 Cb 0.18 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.14 3a6p n TYR 886 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3a6p n ARG 887 N -0.65 3.14 0.08 -3.48 5.12 -0.92 -4.53 116.66 115.42 3a6p n ARG 887 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 3a6p n ARG 887 Cb 0.00 -1.00 -0.07 0.00 -1.16 0.00 0.00 32.46 30.23 3a6p n ARG 887 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3a6p h LEU 888 N 0.00 0.45 0.37 0.55 5.85 -0.91 -1.93 115.31 119.70 3a6p h LEU 888 Ca 0.00 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3a6p h LEU 888 Cb 0.99 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3a6p h LEU 888 CO 0.00 1.24 -0.18 -0.09 -0.34 0.00 0.00 178.44 179.07 3a6p h ARG 889 N 0.15 -0.48 -0.94 1.25 2.43 -1.59 -1.19 114.38 114.01 3a6p h ARG 889 Ca -0.09 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.27 3a6p h ARG 889 Cb 1.71 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 31.29 3a6p h ARG 889 CO 0.17 -0.29 0.60 -1.35 -1.51 0.00 0.00 179.97 177.59 3a6p h PRO 890 N -0.55 0.67 -0.13 0.20 0.11 -1.79 -2.36 132.00 128.15 3a6p h PRO 890 Ca -0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 3a6p h PRO 890 Cb 0.41 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3a6p h PRO 890 CO 0.08 0.44 -0.02 1.98 -0.21 0.00 0.00 178.00 180.27 3a6p h MET 891 N 0.69 0.25 -0.52 1.05 1.85 -0.63 -2.17 114.93 115.45 3a6p h MET 891 Ca 0.49 -0.09 0.02 0.00 -0.61 0.00 0.00 59.70 59.51 3a6p h MET 891 Cb 0.84 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.82 3a6p h MET 891 CO -0.25 0.52 0.32 -0.07 -0.40 0.00 0.00 176.91 177.03 3a6p h LEU 892 N -0.04 0.53 0.13 3.39 3.38 -1.02 0.16 115.31 121.84 3a6p h LEU 892 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3a6p h LEU 892 Cb 0.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3a6p h LEU 892 CO 0.01 0.37 -0.06 -0.09 0.09 0.00 0.00 178.44 178.76 3a6p h ARG 893 N 0.64 -0.17 0.00 1.13 2.43 -1.41 0.32 114.38 117.32 3a6p h ARG 893 Ca 0.21 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.20 3a6p h ARG 893 Cb 0.00 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3a6p h ARG 893 CO -0.08 0.30 -0.89 0.28 -1.51 0.00 0.00 179.97 178.06 3a6p h VAL 894 N -0.76 1.63 0.00 0.20 2.07 -1.42 -3.38 116.25 114.59 3a6p h VAL 894 Ca -0.02 -3.02 -0.22 0.00 0.82 0.00 0.00 66.70 64.25 3a6p h VAL 894 Cb 0.54 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 3a6p h VAL 894 CO 0.03 0.87 -1.75 0.33 0.02 0.00 0.00 177.57 177.06 3a6p n PHE 895 N -3.49 0.00 -0.06 1.57 7.35 0.55 -3.89 117.46 119.49 3a6p n PHE 895 Ca -0.01 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 3a6p n PHE 895 Cb 0.85 -0.49 -0.13 0.00 0.35 0.00 0.00 39.48 40.06 3a6p n PHE 895 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3a6p h VAL 896 N -0.44 1.29 -0.58 -2.13 2.07 -1.15 -2.28 116.25 113.03 3a6p h VAL 896 Ca -0.34 -2.31 0.10 0.00 0.82 0.00 0.00 66.70 64.97 3a6p h VAL 896 Cb 1.31 2.81 -0.11 0.00 -1.52 0.00 0.00 31.29 33.78 3a6p h VAL 896 CO -0.19 0.53 -0.33 0.50 0.02 0.00 0.00 177.57 178.10 3a6p h LYS 897 N -0.81 -0.16 -0.14 1.57 3.64 -1.13 -1.69 116.57 117.86 3a6p h LYS 897 Ca -0.20 0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 58.98 3a6p h LYS 897 Cb 1.32 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3a6p h LYS 897 CO -0.05 -0.11 -0.75 -1.00 -2.27 0.00 0.00 179.45 175.27 3a6p h PRO 898 N -0.17 0.67 -0.32 1.90 0.13 -1.74 -1.90 132.00 130.56 3a6p h PRO 898 Ca 0.23 -0.54 0.07 0.00 -0.87 0.00 0.00 66.00 64.90 3a6p h PRO 898 Cb 0.55 0.11 -0.08 0.00 0.13 0.00 0.00 31.00 31.71 3a6p h PRO 898 CO -0.67 1.15 -0.26 1.25 -0.23 0.00 0.00 178.00 179.24 3a6p h LEU 899 N 0.46 -0.87 0.36 1.56 6.46 -1.21 -2.04 115.31 120.04 3a6p h LEU 899 Ca -0.04 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3a6p h LEU 899 Cb 1.36 0.42 0.00 0.00 -0.73 0.00 0.00 40.66 41.71 3a6p h LEU 899 CO 0.15 -0.29 -0.17 0.58 -0.62 0.00 0.00 178.44 178.08 3a6p h VAL 900 N -0.23 0.00 -0.71 1.05 2.07 -1.37 -3.28 116.25 113.78 3a6p h VAL 900 Ca 0.16 -0.17 0.21 0.00 0.82 0.00 0.00 66.70 67.72 3a6p h VAL 900 Cb 0.49 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3a6p h VAL 900 CO -0.46 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 177.63 3a6p h LEU 901 N -0.65 0.00 -3.71 2.57 3.38 -1.39 0.68 115.31 116.19 3a6p h LEU 901 Ca -0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 3a6p h LEU 901 Cb 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 3a6p h LEU 901 CO 0.08 0.00 0.21 0.49 0.09 0.00 0.00 178.44 179.32 3a6p n PHE 902 N -4.10 2.42 -3.45 1.13 3.01 -0.77 -4.94 117.46 110.76 3a6p n PHE 902 Ca 0.14 -1.09 -0.37 0.00 1.01 0.00 0.00 57.45 57.14 3a6p n PHE 902 Cb 0.83 -0.66 -0.07 0.00 -0.01 0.00 0.00 39.48 39.57 3a6p n PHE 902 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3a6p s PRO 904 N 0.93 4.44 0.59 0.00 0.04 -1.26 -4.89 135.00 134.84 3a6p s PRO 904 Ca 0.18 1.86 0.30 0.00 0.04 0.00 0.00 61.00 63.38 3a6p s PRO 904 Cb -0.14 -3.29 1.39 0.00 0.04 0.00 0.00 34.50 32.51 3a6p s PRO 904 CO 0.06 -0.21 1.78 -1.35 0.04 0.00 0.00 177.00 177.32 3a6p h PRO 905 N 6.13 0.00 -1.15 0.56 0.11 -1.98 0.08 132.00 135.75 3a6p h PRO 905 Ca -0.43 0.00 0.34 0.00 0.11 0.00 0.00 66.00 66.02 3a6p h PRO 905 Cb 1.21 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 3a6p h PRO 905 CO 0.79 0.00 0.73 0.93 -0.21 0.00 0.00 178.00 180.25 3a6p h GLU 906 N 0.00 0.26 -0.22 1.05 3.07 -2.05 -1.34 114.58 115.34 3a6p h GLU 906 Ca 0.32 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 59.06 3a6p h GLU 906 Cb 1.67 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 29.46 3a6p h GLU 906 CO -0.00 0.17 -0.17 0.72 -1.40 0.00 0.00 179.01 178.32 3a6p n HIS 907 N -4.67 0.70 0.28 4.33 8.25 0.01 -4.32 115.22 119.80 3a6p n HIS 907 Ca 0.30 -1.45 0.13 0.00 -0.26 0.00 0.00 57.72 56.44 3a6p n HIS 907 Cb 1.10 -0.38 0.81 0.00 1.12 0.00 0.00 29.99 32.63 3a6p n HIS 907 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3a6p h TYR 908 N 1.00 0.00 0.07 4.41 0.99 -1.38 -2.49 116.97 119.57 3a6p h TYR 908 Ca 0.12 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.85 3a6p h TYR 908 Cb 1.41 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.14 3a6p h TYR 908 CO 0.82 0.06 -0.04 0.93 -0.00 0.00 0.00 178.16 179.93 3a6p h GLU 909 N 0.00 -0.10 -0.98 4.88 4.39 -1.77 0.78 114.58 121.79 3a6p h GLU 909 Ca -0.00 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.87 3a6p h GLU 909 Cb 0.14 0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 28.65 3a6p h GLU 909 CO 0.01 -0.06 -0.36 0.00 -1.16 0.00 0.00 179.01 177.44 3a6p n ALA 910 N -2.28 -0.06 0.00 3.43 0.00 -1.16 -3.99 120.51 116.46 3a6p n ALA 910 Ca -0.01 0.99 0.00 0.00 0.00 0.00 0.00 53.44 54.42 3a6p n ALA 910 Cb 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3a6p n ALA 910 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3a6p n LEU 911 N -5.47 0.07 -0.16 0.00 -0.00 -0.96 -4.68 117.00 105.81 3a6p n LEU 911 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.02 3a6p n LEU 911 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.82 3a6p n LEU 911 CO -0.13 0.01 0.79 0.58 -0.00 0.00 0.00 177.39 178.64 3a6p h VAL 912 N 0.00 1.26 0.45 1.47 2.07 -1.52 -2.89 116.25 117.09 3a6p h VAL 912 Ca 0.00 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3a6p h VAL 912 Cb 0.26 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3a6p h VAL 912 CO 0.00 0.37 -0.22 -1.28 0.02 0.00 0.00 177.57 176.46 3a6p h SER 913 N 0.64 -0.52 0.00 0.57 0.87 -0.97 -0.53 113.55 113.62 3a6p h SER 913 Ca 0.13 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3a6p h SER 913 Cb 0.51 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3a6p h SER 913 CO 0.02 -0.19 0.01 1.55 -0.53 0.00 0.00 176.83 177.70 3a6p h PRO 914 N -0.87 0.00 0.06 2.24 0.13 -1.73 -2.74 132.00 129.09 3a6p h PRO 914 Ca -0.06 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.75 3a6p h PRO 914 Cb 0.57 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.67 3a6p h PRO 914 CO 0.10 0.00 -1.77 -0.89 -0.23 0.00 0.00 178.00 175.21 3a6p n ILE 915 N -3.05 1.65 0.04 -3.56 5.41 -1.09 -4.40 119.36 114.36 3a6p n ILE 915 Ca -0.03 -0.38 -0.11 0.00 1.00 0.00 0.00 62.75 63.24 3a6p n ILE 915 Cb 0.08 -1.85 0.02 0.00 -0.71 0.00 0.00 39.64 37.18 3a6p n ILE 915 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3a6p h LEU 916 N -0.45 0.55 0.00 1.39 3.38 -1.03 -2.62 115.31 116.54 3a6p h LEU 916 Ca -0.43 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.19 3a6p h LEU 916 Cb 1.70 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3a6p h LEU 916 CO -0.08 1.10 0.00 0.61 0.09 0.00 0.00 178.44 180.15 3a6p n GLY 917 N 0.55 -3.11 0.27 0.83 0.00 -1.04 -0.13 105.19 102.55 3a6p n GLY 917 Ca -0.05 0.55 0.10 0.00 0.00 0.00 0.00 46.02 46.63 3a6p n GLY 917 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a6p h PRO 918 N 0.00 0.00 -0.11 1.61 0.11 -1.77 -2.35 132.00 129.50 3a6p h PRO 918 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3a6p h PRO 918 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3a6p h PRO 918 CO 0.00 0.03 -0.14 1.25 -0.21 0.00 0.00 178.00 178.93 3a6p h LEU 919 N 0.00 0.31 -0.46 2.35 6.46 -0.99 -1.04 115.31 121.94 3a6p h LEU 919 Ca -0.00 -0.51 -0.15 0.00 -0.12 0.00 0.00 57.88 57.10 3a6p h LEU 919 Cb 0.05 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 3a6p h LEU 919 CO 0.00 0.76 -0.31 -0.26 -0.62 0.00 0.00 178.44 178.02 3a6p h PHE 920 N -0.13 1.10 -0.38 1.25 0.05 -0.34 0.32 116.94 118.81 3a6p h PHE 920 Ca 0.01 -0.30 0.07 0.00 3.82 0.00 0.00 57.97 61.57 3a6p h PHE 920 Cb 0.68 -0.24 -0.06 0.00 2.00 0.00 0.00 35.95 38.33 3a6p h PHE 920 CO 0.09 1.12 0.02 1.15 -0.18 0.00 0.00 178.31 180.51 3a6p h THR 921 N 0.79 0.74 0.31 -1.55 2.02 -1.45 -1.40 112.91 112.36 3a6p h THR 921 Ca 0.08 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 3a6p h THR 921 Cb 0.89 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3a6p h THR 921 CO 0.08 0.02 -0.15 0.22 0.37 0.00 0.00 175.52 176.06 3a6p h TYR 922 N 0.13 -0.39 -0.74 3.16 3.20 -0.52 -2.10 116.97 119.70 3a6p h TYR 922 Ca 0.19 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.21 3a6p h TYR 922 Cb 0.25 0.13 -0.11 0.00 1.54 0.00 0.00 36.73 38.54 3a6p h TYR 922 CO -0.24 -0.05 0.20 -0.07 -1.64 0.00 0.00 178.16 176.35 3a6p h LEU 923 N -0.77 0.05 -0.25 2.82 3.38 -0.25 0.16 115.31 120.45 3a6p h LEU 923 Ca -0.04 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3a6p h LEU 923 Cb 0.51 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3a6p h LEU 923 CO 0.07 -0.02 0.15 -0.74 0.09 0.00 0.00 178.44 177.99 3a6p h HIS 924 N 0.29 0.33 -0.77 1.13 -0.00 -1.21 0.16 115.15 115.08 3a6p h HIS 924 Ca 0.42 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.78 3a6p h HIS 924 Cb 0.72 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.98 3a6p h HIS 924 CO -0.25 0.25 0.45 1.98 -0.00 0.00 0.00 177.93 180.36 3a6p h MET 925 N 0.32 1.05 -0.53 5.26 1.85 -0.30 -1.49 114.93 121.09 3a6p h MET 925 Ca 0.09 -0.11 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 3a6p h MET 925 Cb 0.01 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 31.80 3a6p h MET 925 CO -0.02 0.76 0.32 -0.09 -0.40 0.00 0.00 176.91 177.48 3a6p h ARG 926 N 1.05 0.72 -0.38 0.39 2.43 -0.14 -2.75 114.38 115.71 3a6p h ARG 926 Ca 0.27 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.23 3a6p h ARG 926 Cb -0.01 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3a6p h ARG 926 CO -0.05 0.52 -0.33 -0.07 -1.51 0.00 0.00 179.97 178.53 3a6p h LEU 927 N 0.71 0.92 -0.74 3.80 3.38 -0.41 -1.44 115.31 121.53 3a6p h LEU 927 Ca 0.19 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 3a6p h LEU 927 Cb -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3a6p h LEU 927 CO -0.04 1.16 0.00 0.28 0.09 0.00 0.00 178.44 179.94 3a6p h SER 928 N 0.73 0.94 -0.36 -0.43 0.02 -1.20 0.29 113.55 113.53 3a6p h SER 928 Ca 0.07 -0.25 -0.17 0.00 -0.84 0.00 0.00 61.79 60.60 3a6p h SER 928 Cb 0.90 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 3a6p h SER 928 CO 0.08 1.00 -0.43 1.56 -1.14 0.00 0.00 176.83 177.89 3a6p h GLN 929 N 0.89 0.93 -0.69 3.45 1.08 -1.40 -1.85 115.11 117.52 3a6p h GLN 929 Ca 0.16 -0.52 -0.01 0.00 -1.45 0.00 0.00 58.65 56.83 3a6p h GLN 929 Cb 0.52 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 3a6p h GLN 929 CO 0.03 1.17 0.38 0.87 -0.95 0.00 0.00 178.83 180.33 3a6p h LYS 930 N 0.74 0.95 -0.00 1.46 1.79 -0.80 -2.92 116.57 117.79 3a6p h LYS 930 Ca 0.05 -0.10 -0.16 0.00 -2.18 0.00 0.00 60.65 58.27 3a6p h LYS 930 Cb 1.04 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 3a6p h LYS 930 CO 0.10 0.69 -0.74 -1.49 -1.08 0.00 0.00 179.45 176.93 3a6p h TRP 931 N 0.96 0.00 0.00 -1.35 4.06 -0.20 -3.04 115.95 116.37 3a6p h TRP 931 Ca 0.25 -0.00 -0.12 0.00 2.06 0.00 0.00 58.89 61.08 3a6p h TRP 931 Cb 0.01 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 3a6p h TRP 931 CO 0.01 0.74 -0.56 1.96 -3.56 0.00 0.00 178.44 177.02 3a6p h GLN 932 N 0.00 0.00 -0.46 0.49 4.20 -1.25 0.20 115.11 118.29 3a6p h GLN 932 Ca -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3a6p h GLN 932 Cb 1.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 3a6p h GLN 932 CO 0.10 0.56 0.15 0.28 -0.67 0.00 0.00 178.83 179.25 3a6p h VAL 933 N 0.00 1.22 -0.33 -0.54 2.07 -1.47 -2.39 116.25 114.82 3a6p h VAL 933 Ca -0.01 -0.72 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 3a6p h VAL 933 Cb 1.02 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3a6p h VAL 933 CO 0.07 0.26 -0.32 0.40 0.02 0.00 0.00 177.57 178.00 3a6p h ILE 934 N 0.60 1.29 0.00 4.57 2.04 -1.39 -2.59 117.51 122.03 3a6p h ILE 934 Ca 0.15 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 3a6p h ILE 934 Cb 0.25 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3a6p h ILE 934 CO -0.01 0.49 -0.03 0.78 0.00 0.00 0.00 178.15 179.38 3a6p h ASN 935 N 0.57 0.00 0.27 1.72 -0.26 -0.61 -2.00 115.58 115.27 3a6p h ASN 935 Ca 0.05 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.77 3a6p h ASN 935 Cb 0.91 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.16 3a6p h ASN 935 CO 0.08 0.03 -0.10 -0.61 -1.06 0.00 0.00 177.43 175.77 3a6p h GLN 936 N 0.00 0.00 0.00 0.81 5.75 -1.00 -3.50 115.11 117.16 3a6p h GLN 936 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3a6p h GLN 936 Cb 0.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3a6p h GLN 936 CO 0.00 0.10 0.00 0.54 -2.65 0.00 0.00 178.83 176.82 3a6p n ARG 937 N -3.75 3.72 0.00 1.69 1.74 -0.76 -5.12 116.66 114.18 3a6p n ARG 937 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3a6p n ARG 937 Cb 0.20 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.64 3a6p n ARG 937 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3a6p n GLU 952 N 0.00 0.00 -0.32 5.56 2.13 -1.26 -5.10 120.64 121.65 3a6p n GLU 952 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 3a6p n GLU 952 Cb 0.00 -0.54 0.08 0.00 0.27 0.00 0.00 31.44 31.25 3a6p n GLU 952 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3a6p h SER 953 N 0.00 1.01 -0.85 4.31 0.02 -2.05 -2.65 113.55 113.33 3a6p h SER 953 Ca 0.00 -0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.02 3a6p h SER 953 Cb 0.98 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.20 3a6p h SER 953 CO 0.00 0.75 0.55 1.56 -1.14 0.00 0.00 176.83 178.55 3a6p h GLN 954 N 1.17 0.73 0.11 3.45 4.20 -2.06 0.72 115.11 123.43 3a6p h GLN 954 Ca 0.31 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 58.75 3a6p h GLN 954 Cb -0.10 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.52 3a6p h GLN 954 CO -0.06 0.48 -1.14 1.49 -0.67 0.00 0.00 178.83 178.93 3a6p h GLU 955 N 0.75 0.22 -0.97 1.46 4.81 -1.99 -3.33 114.58 115.54 3a6p h GLU 955 Ca 0.40 -0.38 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 3a6p h GLU 955 Cb 0.53 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 29.96 3a6p h GLU 955 CO -0.17 1.18 0.61 1.98 -0.73 0.00 0.00 179.01 181.88 3a6p h MET 956 N -0.42 0.77 -0.34 1.92 4.05 -1.10 -0.74 114.93 119.07 3a6p h MET 956 Ca -0.24 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.18 3a6p h MET 956 Cb 1.64 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 32.23 3a6p h MET 956 CO 0.06 0.51 0.09 1.25 0.23 0.00 0.00 176.91 179.05 3a6p h LEU 957 N 0.80 0.06 -1.50 3.39 5.85 -1.01 -2.62 115.31 120.28 3a6p h LEU 957 Ca 0.51 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 59.23 3a6p h LEU 957 Cb 0.74 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3a6p h LEU 957 CO -0.28 0.07 -0.23 -0.33 -0.34 0.00 0.00 178.44 177.34 3a6p h GLU 958 N 0.22 0.00 -0.42 1.25 5.08 -1.26 -1.92 114.58 117.54 3a6p h GLU 958 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3a6p h GLU 958 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3a6p h GLU 958 CO -0.19 0.23 0.21 1.49 -1.00 0.00 0.00 179.01 179.75 3a6p h GLU 959 N 0.00 0.59 -0.71 2.33 4.81 -1.09 -2.81 114.58 117.71 3a6p h GLU 959 Ca -0.00 -0.08 0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3a6p h GLU 959 Cb 0.55 -0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.72 3a6p h GLU 959 CO 0.03 0.50 0.25 0.37 -0.73 0.00 0.00 179.01 179.43 3a6p h GLN 960 N 0.54 0.39 -0.14 1.92 5.75 -1.29 -1.99 115.11 120.28 3a6p h GLN 960 Ca 0.14 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3a6p h GLN 960 Cb 0.09 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3a6p h GLN 960 CO -0.02 0.26 -0.11 -0.07 -2.65 0.00 0.00 178.83 176.23 3a6p h LEU 961 N 0.40 0.21 -0.56 -2.39 3.38 -1.41 -1.33 115.31 113.61 3a6p h LEU 961 Ca 0.38 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 3a6p h LEU 961 Cb 0.56 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3a6p h LEU 961 CO -0.40 0.35 -0.05 0.58 0.09 0.00 0.00 178.44 179.02 3a6p h VAL 962 N 0.21 1.27 -0.14 1.22 2.07 -1.12 -1.59 116.25 118.18 3a6p h VAL 962 Ca 0.04 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3a6p h VAL 962 Cb 0.34 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3a6p h VAL 962 CO 0.02 0.43 0.08 0.03 0.02 0.00 0.00 177.57 178.14 3a6p h ARG 963 N 0.90 0.16 -0.28 1.57 2.47 -0.93 0.21 114.38 118.48 3a6p h ARG 963 Ca 0.15 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.73 3a6p h ARG 963 Cb 0.61 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 3a6p h ARG 963 CO 0.04 0.11 -0.36 0.52 0.56 0.00 0.00 179.97 180.83 3a6p h MET 964 N 0.16 0.63 -0.56 0.04 2.86 -1.27 -2.21 114.93 114.58 3a6p h MET 964 Ca 0.05 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.32 3a6p h MET 964 Cb -0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3a6p h MET 964 CO -0.02 0.89 0.07 1.25 1.06 0.00 0.00 176.91 180.16 3a6p h LEU 965 N 0.53 0.91 -0.02 1.22 5.85 -1.15 -0.86 115.31 121.78 3a6p h LEU 965 Ca 0.05 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3a6p h LEU 965 Cb 0.86 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3a6p h LEU 965 CO 0.07 0.96 0.01 0.74 -0.34 0.00 0.00 178.44 179.88 3a6p h THR 966 N 0.84 1.11 -0.47 1.05 2.02 -0.64 0.87 112.91 117.70 3a6p h THR 966 Ca 0.17 -0.34 0.08 0.00 0.77 0.00 0.00 66.41 67.09 3a6p h THR 966 Cb 0.44 1.31 -0.07 0.00 -1.74 0.00 0.00 68.15 68.09 3a6p h THR 966 CO 0.02 0.09 0.06 0.03 0.37 0.00 0.00 175.52 176.08 3a6p h ARG 967 N -0.11 0.18 -0.88 6.66 3.08 -1.41 0.10 114.38 122.01 3a6p h ARG 967 Ca 0.01 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3a6p h ARG 967 Cb 0.14 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 3a6p h ARG 967 CO -0.00 0.12 0.57 1.49 -1.07 0.00 0.00 179.97 181.08 3a6p h GLU 968 N 0.18 0.99 -0.13 0.04 4.57 -0.64 0.23 114.58 119.82 3a6p h GLU 968 Ca 0.23 -0.06 -0.20 0.00 -1.18 0.00 0.00 59.36 58.16 3a6p h GLU 968 Cb 0.32 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3a6p h GLU 968 CO -0.34 0.66 -0.72 0.28 -1.18 0.00 0.00 179.01 177.71 3a6p h VAL 969 N 1.02 1.33 -0.13 0.32 2.07 0.88 -0.67 116.25 121.08 3a6p h VAL 969 Ca 0.37 -2.02 -0.17 0.00 0.82 0.00 0.00 66.70 65.70 3a6p h VAL 969 Cb 0.14 2.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3a6p h VAL 969 CO -0.13 0.62 -0.58 0.24 0.02 0.00 0.00 177.57 177.74 3a6p h MET 970 N 0.41 0.62 0.05 1.57 2.86 -0.39 -1.35 114.93 118.71 3a6p h MET 970 Ca -0.03 -0.50 0.02 0.00 -2.06 0.00 0.00 59.70 57.12 3a6p h MET 970 Cb 1.31 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.05 3a6p h MET 970 CO 0.14 1.12 -0.14 0.22 1.06 0.00 0.00 176.91 179.31 3a6p h ASP 971 N 0.28 -0.39 -0.88 1.22 3.58 -0.50 -0.23 116.42 119.50 3a6p h ASP 971 Ca -0.04 0.05 0.23 0.00 0.42 0.00 0.00 57.03 57.69 3a6p h ASP 971 Cb 1.22 0.15 -0.14 0.00 1.72 0.00 0.00 39.33 42.29 3a6p h ASP 971 CO 0.12 -0.20 0.28 0.25 -2.88 0.00 0.00 179.24 176.81 3a6p h LEU 972 N -0.26 0.09 -0.13 2.28 5.85 -0.92 0.43 115.31 122.65 3a6p h LEU 972 Ca 0.03 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3a6p h LEU 972 Cb 0.29 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 3a6p h LEU 972 CO -0.10 -0.11 -0.10 0.40 -0.34 0.00 0.00 178.44 178.19 3a6p h ILE 973 N 0.26 1.34 0.28 4.05 2.04 -0.06 -2.57 117.51 122.84 3a6p h ILE 973 Ca 0.55 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3a6p h ILE 973 Cb 1.10 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.99 3a6p h ILE 973 CO -0.62 0.35 -0.40 0.74 0.00 0.00 0.00 178.15 178.23 3a6p h THR 974 N -0.06 0.20 -0.20 -0.27 2.02 -0.51 -2.46 112.91 111.63 3a6p h THR 974 Ca 0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.26 3a6p h THR 974 Cb 0.60 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3a6p h THR 974 CO 0.03 0.00 0.17 0.58 0.37 0.00 0.00 175.52 176.66 3a6p h VAL 975 N -0.73 0.71 0.11 3.16 2.07 -0.91 -0.03 116.25 120.62 3a6p h VAL 975 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3a6p h VAL 975 Cb 0.70 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3a6p h VAL 975 CO -0.14 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.40 3a6p s VAL 978 N -2.29 4.22 0.00 0.00 1.01 -0.05 0.37 120.40 123.67 3a6p s VAL 978 Ca -0.02 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.74 3a6p s VAL 978 Cb 0.03 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3a6p s VAL 978 CO 0.19 0.24 0.00 -0.24 0.00 0.00 0.00 175.10 175.29 3a6p n SER 979 N 3.00 0.00 -0.23 3.32 2.88 -1.26 -4.69 113.62 116.63 3a6p n SER 979 Ca 0.04 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.52 3a6p n SER 979 Cb 0.48 -0.13 0.04 0.00 -0.75 0.00 0.00 64.21 63.85 3a6p n SER 979 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3a6p h GLU 1010N 0.00 0.90 -7.16 -1.46 4.81 -1.99 -3.50 114.58 106.18 3a6p h GLU 1010Ca 0.00 -0.09 -0.48 0.00 -0.13 0.00 0.00 59.36 58.66 3a6p h GLU 1010Cb 0.00 -0.18 0.04 0.00 0.63 0.00 0.00 28.75 29.24 3a6p h GLU 1010CO 0.00 0.66 0.38 -0.51 -0.73 0.00 0.00 179.01 178.80 3a6p s LEU 1011N -10.00 3.64 1.01 1.64 1.02 -1.26 -5.09 118.68 109.64 3a6p s LEU 1011Ca -0.13 1.77 -0.15 0.00 0.02 0.00 0.00 54.13 55.64 3a6p s LEU 1011Cb 0.14 -4.53 0.20 0.00 0.02 0.00 0.00 46.19 42.01 3a6p s LEU 1011CO 0.78 -0.88 1.18 0.42 0.02 0.00 0.00 176.35 177.87 3a6p s THR 1012N -2.37 1.88 0.15 5.49 -4.23 0.16 -4.73 115.64 111.99 3a6p s THR 1012Ca 0.63 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.93 3a6p s THR 1012Cb -0.14 -2.74 0.04 0.00 1.34 0.00 0.00 72.50 71.00 3a6p s THR 1012CO 0.30 0.00 1.65 0.44 -0.54 0.00 0.00 174.62 176.47 3a6p h ASP 1013N -1.86 -0.61 0.31 3.99 3.32 -1.91 0.30 116.42 119.95 3a6p h ASP 1013Ca -0.47 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3a6p h ASP 1013Cb 1.29 0.31 0.00 0.00 0.22 0.00 0.00 39.33 41.15 3a6p h ASP 1013CO 0.47 -0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.77 3a6p n LEU 1014N -5.34 0.00 0.01 1.55 -0.00 -1.26 0.15 117.00 112.10 3a6p n LEU 1014Ca -0.00 0.27 -0.06 0.00 -0.00 0.00 0.00 56.01 56.21 3a6p n LEU 1014Cb 0.26 -0.27 -0.05 0.00 -0.00 0.00 0.00 43.42 43.36 3a6p n LEU 1014CO 0.16 -0.12 0.19 1.23 -0.00 0.00 0.00 177.39 178.85 3a6p h GLY 1015N 2.82 -0.14 0.59 1.47 0.00 -0.71 -2.72 103.07 104.37 3a6p h GLY 1015Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.40 3a6p h GLY 1015CO 0.00 -0.05 -0.23 0.50 0.00 0.00 0.00 176.54 176.76 3a6p h LYS 1016N -1.00 -0.40 -0.24 4.80 1.57 -0.10 -2.63 116.57 118.58 3a6p h LYS 1016Ca -0.01 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3a6p h LYS 1016Cb 0.36 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 3a6p h LYS 1016CO 0.02 -0.27 0.06 0.00 -0.57 0.00 0.00 179.45 178.69 3a6p h LEU 1018N 0.15 0.00 -0.91 0.00 3.38 -1.47 -2.46 115.31 114.00 3a6p h LEU 1018Ca 0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3a6p h LEU 1018Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3a6p h LEU 1018CO -0.13 0.19 -0.46 0.24 0.09 0.00 0.00 178.44 178.37 3a6p h MET 1019N 0.00 0.19 -1.86 1.13 2.86 -0.89 -3.12 114.93 113.25 3a6p h MET 1019Ca -0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3a6p h MET 1019Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3a6p h MET 1019CO 0.03 0.62 0.00 1.63 1.06 0.00 0.00 176.91 180.24 3a6p n LYS 1020N -3.99 0.88 -3.81 1.72 5.02 -0.88 -4.68 118.16 112.43 3a6p n LYS 1020Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 3a6p n LYS 1020Cb 0.51 -1.06 -0.15 0.00 -0.02 0.00 0.00 35.03 34.31 3a6p n LYS 1020CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3a6p s HIS 1021N 0.22 -0.02 0.01 2.13 3.76 -1.18 -5.07 115.29 115.14 3a6p s HIS 1021Ca 0.00 0.15 -0.04 0.00 -0.15 0.00 0.00 55.06 55.02 3a6p s HIS 1021Cb 0.00 -0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.56 3a6p s HIS 1021CO 0.00 -0.07 1.06 1.49 -0.85 0.00 0.00 174.74 176.37 3a6p h GLU 1022N 6.77 -0.07 -0.07 1.40 4.57 -1.88 -2.96 114.58 122.34 3a6p h GLU 1022Ca -0.36 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.79 3a6p h GLU 1022Cb 1.16 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3a6p h GLU 1022CO 0.48 -0.05 -0.08 -0.44 -1.18 0.00 0.00 179.01 177.74 3a6p h ASP 1023N -0.07 0.19 -0.34 1.04 3.32 -1.97 -2.75 116.42 115.84 3a6p h ASP 1023Ca 0.00 -0.50 0.07 0.00 0.02 0.00 0.00 57.03 56.62 3a6p h ASP 1023Cb 0.08 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.50 3a6p h ASP 1023CO -0.04 0.66 -0.15 0.58 -1.72 0.00 0.00 179.24 178.56 3a6p h VAL 1024N -0.27 0.52 0.94 -1.35 2.07 -1.83 -1.88 116.25 114.46 3a6p h VAL 1024Ca 0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 3a6p h VAL 1024Cb 0.61 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3a6p h VAL 1024CO 0.02 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.16 3a6p h THR 1026N -1.27 0.34 -0.04 0.00 2.02 -1.46 -1.57 112.91 110.93 3a6p h THR 1026Ca -0.13 -0.12 -0.20 0.00 0.77 0.00 0.00 66.41 66.73 3a6p h THR 1026Cb 0.97 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3a6p h THR 1026CO 0.21 0.06 -0.83 0.00 0.37 0.00 0.00 175.52 175.34 3a6p h ALA 1027N 1.81 0.50 -0.57 6.16 0.00 -0.46 -1.11 119.26 125.59 3a6p h ALA 1027Ca 0.68 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3a6p h ALA 1027Cb 1.47 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 3a6p h ALA 1027CO -0.60 0.80 -0.04 -0.07 0.00 0.00 0.00 179.25 179.35 3a6p h LEU 1028N 0.23 1.00 -0.09 0.00 4.07 -0.05 -2.36 115.31 118.12 3a6p h LEU 1028Ca -0.05 -0.30 -0.17 0.00 0.08 0.00 0.00 57.88 57.44 3a6p h LEU 1028Cb 1.43 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 42.91 3a6p h LEU 1028CO 0.14 1.08 -0.61 -0.07 -1.08 0.00 0.00 178.44 177.90 3a6p h LEU 1029N 0.92 0.69 0.18 1.67 4.07 -1.16 -2.72 115.31 118.96 3a6p h LEU 1029Ca 0.16 -0.67 -0.01 0.00 0.08 0.00 0.00 57.88 57.44 3a6p h LEU 1029Cb 0.59 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.13 3a6p h LEU 1029CO 0.04 1.25 -0.08 0.40 -1.08 0.00 0.00 178.44 178.96 3a6p h ILE 1030N 0.18 0.84 -0.26 1.22 2.04 -1.22 -2.23 117.51 118.07 3a6p h ILE 1030Ca -0.05 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3a6p h ILE 1030Cb 1.26 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 3a6p h ILE 1030CO 0.12 0.01 0.12 0.74 0.00 0.00 0.00 178.15 179.14 3a6p h THR 1031N -0.26 0.97 -0.27 -0.27 2.02 -1.49 0.37 112.91 113.98 3a6p h THR 1031Ca -0.02 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3a6p h THR 1031Cb 0.20 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3a6p h THR 1031CO 0.04 0.05 0.14 0.00 0.37 0.00 0.00 175.52 176.11 3a6p h ALA 1032N 1.15 0.35 0.00 6.16 0.00 -1.38 -1.64 119.26 123.89 3a6p h ALA 1032Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a6p h ALA 1032Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3a6p h ALA 1032CO -0.09 -0.10 0.00 0.74 0.00 0.00 0.00 179.25 179.80 3a6p h PHE 1033N 0.31 0.00 0.00 0.00 -1.00 -1.21 -3.01 116.94 112.03 3a6p h PHE 1033Ca 0.09 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.82 3a6p h PHE 1033Cb 0.10 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 3a6p h PHE 1033CO -0.03 0.00 -0.27 -0.91 -1.61 0.00 0.00 178.31 175.50 3a6p h ASN 1034N 0.00 0.00 -0.81 2.17 4.21 -0.50 -3.27 115.58 117.38 3a6p h ASN 1034Ca 0.00 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 3a6p h ASN 1034Cb 0.92 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.08 3a6p h ASN 1034CO 0.00 0.27 0.50 0.28 -1.29 0.00 0.00 177.43 177.19 3a6p h SER 1035N 0.00 0.97 -0.25 5.81 0.02 -1.17 -0.97 113.55 117.97 3a6p h SER 1035Ca -0.00 -0.05 0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3a6p h SER 1035Cb 1.10 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3a6p h SER 1035CO 0.03 0.74 0.26 -0.07 -1.14 0.00 0.00 176.83 176.66 3a6p h LEU 1036N 1.12 0.00 0.00 5.07 -0.00 -1.69 -2.13 115.31 117.69 3a6p h LEU 1036Ca 0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.13 3a6p h LEU 1036Cb -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 3a6p h LEU 1036CO -0.06 0.00 -0.91 0.00 -0.00 0.00 0.00 178.44 177.47 3a6p h ALA 1037N 1.72 0.61 -2.87 1.53 0.00 -1.36 -3.33 119.26 115.56 3a6p h ALA 1037Ca 0.12 -0.20 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 3a6p h ALA 1037Cb 0.63 0.05 0.13 0.00 0.00 0.00 0.00 17.79 18.61 3a6p h ALA 1037CO -0.00 0.23 0.47 -1.58 0.00 0.00 0.00 179.25 178.37 3a6p s TRP 1038N -3.23 2.26 -2.00 0.00 0.23 -0.80 -4.90 118.94 110.50 3a6p s TRP 1038Ca 0.00 1.52 0.23 0.00 -2.03 0.00 0.00 56.10 55.82 3a6p s TRP 1038Cb 0.09 -3.53 1.37 0.00 0.03 0.00 0.00 33.47 31.42 3a6p s TRP 1038CO 0.77 -2.46 1.80 1.17 0.96 0.00 0.00 176.95 179.20 3a6p n LYS 1039N -1.87 0.86 -2.60 4.98 4.81 -1.26 -4.78 118.16 118.31 3a6p n LYS 1039Ca 0.14 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.15 3a6p n LYS 1039Cb 0.49 -1.41 -0.02 0.00 0.02 0.00 0.00 35.03 34.11 3a6p n LYS 1039CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3a6p s ASP 1040N -1.85 6.70 0.36 3.14 -1.08 -1.26 -4.91 116.67 117.75 3a6p s ASP 1040Ca 0.34 0.64 0.27 0.00 -0.52 0.00 0.00 52.55 53.29 3a6p s ASP 1040Cb 0.16 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 40.01 3a6p s ASP 1040CO 0.27 -1.17 1.78 0.74 0.52 0.00 0.00 175.17 177.31 3a6p h THR 1041N 6.11 0.00 -0.23 1.71 2.02 -1.99 -3.12 112.91 117.41 3a6p h THR 1041Ca -0.23 -0.49 -0.14 0.00 0.77 0.00 0.00 66.41 66.32 3a6p h THR 1041Cb 1.06 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 3a6p h THR 1041CO 1.10 0.00 -0.45 0.25 0.37 0.00 0.00 175.52 176.79 3a6p h LEU 1042N 0.00 0.63 -0.24 2.58 7.12 -1.98 -3.24 115.31 120.18 3a6p h LEU 1042Ca 0.00 -0.30 -0.21 0.00 0.13 0.00 0.00 57.88 57.50 3a6p h LEU 1042Cb 0.59 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 3a6p h LEU 1042CO 0.00 0.99 -0.85 -1.28 -0.13 0.00 0.00 178.44 177.17 3a6p h SER 1043N 0.47 0.61 -0.65 1.25 0.87 -1.93 -3.35 113.55 110.82 3a6p h SER 1043Ca 0.03 -0.44 0.06 0.00 -1.23 0.00 0.00 61.79 60.21 3a6p h SER 1043Cb 0.97 -0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.67 3a6p h SER 1043CO 0.09 1.22 -0.43 0.00 -0.53 0.00 0.00 176.83 177.18 3a6p h GLN 1045N -0.05 0.88 0.38 0.00 7.50 -1.76 -1.87 115.11 120.19 3a6p h GLN 1045Ca 0.10 -0.34 -0.01 0.00 0.50 0.00 0.00 58.65 58.90 3a6p h GLN 1045Cb 0.32 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 3a6p h GLN 1045CO -0.64 0.99 -0.27 0.00 -1.50 0.00 0.00 178.83 177.41 3a6p h ARG 1046N 0.72 -0.61 -0.34 1.46 3.08 -1.47 -1.87 114.38 115.35 3a6p h ARG 1046Ca 0.11 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 3a6p h ARG 1046Cb 0.67 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 3a6p h ARG 1046CO 0.05 -0.41 0.11 1.15 -1.07 0.00 0.00 179.97 179.80 3a6p h THR 1047N -0.64 1.21 0.43 2.04 2.02 -1.07 -2.61 112.91 114.30 3a6p h THR 1047Ca -0.03 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 3a6p h THR 1047Cb 0.54 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3a6p h THR 1047CO 0.01 0.23 -0.52 0.74 0.37 0.00 0.00 175.52 176.35 3a6p h THR 1048N 0.40 0.00 0.05 3.16 2.02 -1.08 0.28 112.91 117.74 3a6p h THR 1048Ca 0.11 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 67.06 3a6p h THR 1048Cb 0.24 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3a6p h THR 1048CO -0.00 0.00 -1.04 0.77 0.37 0.00 0.00 175.52 175.61 3a6p h SER 1049N -0.97 0.29 0.13 4.18 4.64 -1.43 -3.30 113.55 117.10 3a6p h SER 1049Ca -0.05 -0.28 -0.22 0.00 -0.47 0.00 0.00 61.79 60.77 3a6p h SER 1049Cb 0.86 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.82 3a6p h SER 1049CO -0.11 1.16 -2.08 0.00 -0.87 0.00 0.00 176.83 174.93 3a6p n GLN 1050N -3.56 0.67 0.05 4.77 6.02 -0.98 -4.81 117.38 119.53 3a6p n GLN 1050Ca -0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3a6p n GLN 1050Cb 0.92 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.60 3a6p n GLN 1050CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3a6p n LEU 1051N -2.62 0.54 -0.30 1.08 7.94 0.10 -4.73 117.00 119.02 3a6p n LEU 1051Ca -0.19 0.14 0.08 0.00 -1.11 0.00 0.00 56.01 54.93 3a6p n LEU 1051Cb 0.92 -0.11 0.23 0.00 0.53 0.00 0.00 43.42 44.99 3a6p n LEU 1051CO 0.44 -0.54 1.09 0.00 -1.11 0.00 0.00 177.39 177.28 3a6p h TRP 1053N 0.59 -0.51 0.00 0.00 2.91 -1.82 -3.13 115.95 114.00 3a6p h TRP 1053Ca 0.48 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.48 3a6p h TRP 1053Cb 0.71 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.52 3a6p h TRP 1053CO -0.10 -0.32 0.07 -1.00 -1.03 0.00 0.00 178.44 176.06 3a6p h PRO 1054N -0.97 0.00 0.28 2.65 0.13 -1.83 0.65 132.00 132.92 3a6p h PRO 1054Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3a6p h PRO 1054Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 3a6p h PRO 1054CO 0.09 0.00 -0.14 -0.07 -0.23 0.00 0.00 178.00 177.66 3a6p h LEU 1055N 0.00 -0.32 -1.16 1.56 3.38 -1.56 -3.03 115.31 114.17 3a6p h LEU 1055Ca 0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3a6p h LEU 1055Cb 0.14 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3a6p h LEU 1055CO 0.00 0.08 0.20 -0.07 0.09 0.00 0.00 178.44 178.74 3a6p h LEU 1056N -0.79 0.72 -0.25 1.67 3.38 -0.89 -2.18 115.31 116.97 3a6p h LEU 1056Ca -0.04 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3a6p h LEU 1056Cb 0.51 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3a6p h LEU 1056CO 0.06 0.66 0.00 1.17 0.09 0.00 0.00 178.44 180.43 3a6p n LYS 1057N -4.32 0.03 -0.07 1.13 4.81 -0.16 -1.10 118.16 118.47 3a6p n LYS 1057Ca 0.04 0.50 -0.09 0.00 -0.87 0.00 0.00 58.31 57.89 3a6p n LYS 1057Cb 0.17 -1.58 -0.15 0.00 0.02 0.00 0.00 35.03 33.49 3a6p n LYS 1057CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3a6p n GLN 1058N -1.64 0.67 -2.06 1.64 -0.06 -0.82 -4.50 117.38 110.61 3a6p n GLN 1058Ca 0.00 0.10 -0.28 0.00 -2.00 0.00 0.00 57.00 54.83 3a6p n GLN 1058Cb 0.03 -1.63 0.02 0.00 -4.06 0.00 0.00 30.24 24.60 3a6p n GLN 1058CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 3a6p n VAL 1059N -2.85 2.74 0.00 1.69 0.24 -0.26 -4.80 118.33 115.08 3a6p n VAL 1059Ca -0.26 -4.27 0.00 0.00 -2.04 0.00 0.00 64.34 57.77 3a6p n VAL 1059Cb 1.10 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 3a6p n VAL 1059CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3a6p n LEU 1060N -0.65 0.00 -4.68 1.34 4.77 -1.05 -4.81 117.00 111.91 3a6p n LEU 1060Ca 0.46 0.00 -0.55 0.00 -0.03 0.00 0.00 56.01 55.89 3a6p n LEU 1060Cb 0.76 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.79 3a6p n LEU 1060CO 0.44 0.00 1.23 -1.54 -1.33 0.00 0.00 177.39 176.19 3a6p n SER 1061N 0.00 2.31 0.00 -1.43 3.41 -1.26 -4.57 113.62 112.08 3a6p n SER 1061Ca 0.00 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 3a6p n SER 1061Cb 0.00 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 3a6p n SER 1061CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a6p n GLY 1062N 3.75 0.31 3.56 5.00 0.00 -1.26 -4.98 105.19 111.57 3a6p n GLY 1062Ca 0.24 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 3a6p n GLY 1062CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a6p s THR 1063N 0.00 3.68 -0.67 2.61 2.01 -1.26 -4.88 115.64 117.13 3a6p s THR 1063Ca 0.00 0.49 0.05 0.00 0.31 0.00 0.00 61.69 62.54 3a6p s THR 1063Cb 0.00 -4.53 0.23 0.00 0.01 0.00 0.00 72.50 68.21 3a6p s THR 1063CO 0.00 -1.39 0.71 0.18 -0.69 0.00 0.00 174.62 173.43 3a6p n LEU 1064N 10.09 3.66 -2.12 4.42 4.77 -1.26 -5.02 117.00 131.55 3a6p n LEU 1064Ca 0.10 -5.39 -0.29 0.00 -0.03 0.00 0.00 56.01 50.40 3a6p n LEU 1064Cb 0.50 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 3a6p n LEU 1064CO 0.71 1.97 0.41 0.18 -1.33 0.00 0.00 177.39 179.33 3a6p n LEU 1065N 1.13 0.31 -0.24 2.23 4.77 -1.26 -4.57 117.00 119.37 3a6p n LEU 1065Ca 0.27 0.54 0.04 0.00 -0.03 0.00 0.00 56.01 56.83 3a6p n LEU 1065Cb 0.39 -0.41 0.14 0.00 -2.33 0.00 0.00 43.42 41.22 3a6p n LEU 1065CO 0.38 -0.60 0.85 0.00 -1.33 0.00 0.00 177.39 176.69 3a6p h ALA 1066N 1.88 0.76 -0.48 -1.18 0.00 -2.00 0.56 119.26 118.80 3a6p h ALA 1066Ca -0.22 0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3a6p h ALA 1066Cb 0.64 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3a6p h ALA 1066CO 0.38 -0.39 0.32 0.22 0.00 0.00 0.00 179.25 179.77 3a6p h ASP 1067N 0.14 0.44 -0.07 0.00 3.58 -2.01 -2.62 116.42 115.88 3a6p h ASP 1067Ca 0.38 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 3a6p h ASP 1067Cb 0.65 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 3a6p h ASP 1067CO -0.58 0.30 0.01 0.00 -2.88 0.00 0.00 179.24 176.09 3a6p h ALA 1068N 1.73 0.09 -0.15 -0.78 0.00 -1.21 -2.85 119.26 116.09 3a6p h ALA 1068Ca 0.20 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3a6p h ALA 1068Cb 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3a6p h ALA 1068CO -0.05 -0.27 -0.13 0.28 0.00 0.00 0.00 179.25 179.08 3a6p h VAL 1069N -0.12 0.63 -0.97 0.00 2.07 -1.09 -1.31 116.25 115.46 3a6p h VAL 1069Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3a6p h VAL 1069Cb 0.27 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3a6p h VAL 1069CO 0.00 0.00 0.63 0.71 0.02 0.00 0.00 177.57 178.93 3a6p h THR 1070N -0.15 1.13 -0.08 2.57 1.35 -1.55 -2.95 112.91 113.24 3a6p h THR 1070Ca 0.10 -0.41 -0.02 0.00 -0.55 0.00 0.00 66.41 65.54 3a6p h THR 1070Cb 0.29 -0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 66.56 3a6p h THR 1070CO -0.24 0.22 -0.02 -0.25 -0.25 0.00 0.00 175.52 174.98 3a6p h TRP 1071N 1.18 0.17 -0.47 4.73 7.01 -1.21 -2.75 115.95 124.62 3a6p h TRP 1071Ca 0.40 -0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.45 3a6p h TRP 1071Cb 0.07 -0.04 -0.10 0.00 -2.10 0.00 0.00 29.16 26.99 3a6p h TRP 1071CO -0.00 0.46 -0.36 -0.07 -2.79 0.00 0.00 178.44 175.68 3a6p h LEU 1072N -0.18 -1.22 -0.60 0.65 3.38 -1.07 -0.80 115.31 115.46 3a6p h LEU 1072Ca 0.02 0.21 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 3a6p h LEU 1072Cb 0.41 0.57 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3a6p h LEU 1072CO 0.01 -0.33 0.03 0.15 0.09 0.00 0.00 178.44 178.39 3a6p h PHE 1073N -0.25 1.12 -0.45 1.13 3.57 -1.61 -2.37 116.94 118.08 3a6p h PHE 1073Ca 0.18 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3a6p h PHE 1073Cb 0.56 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3a6p h PHE 1073CO -0.60 0.98 0.30 1.15 -2.23 0.00 0.00 178.31 177.92 3a6p h THR 1074N 0.93 1.01 -0.10 4.41 2.02 -0.98 -1.23 112.91 118.98 3a6p h THR 1074Ca 0.17 -0.16 -0.22 0.00 0.77 0.00 0.00 66.41 66.98 3a6p h THR 1074Cb 0.52 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3a6p h THR 1074CO 0.02 0.08 -0.82 0.28 0.37 0.00 0.00 175.52 175.46 3a6p h SER 1075N 0.45 0.77 -0.69 4.18 0.02 -0.82 -0.85 113.55 116.60 3a6p h SER 1075Ca 0.19 -0.53 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 3a6p h SER 1075Cb 0.18 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3a6p h SER 1075CO -0.05 1.31 0.33 0.58 -1.14 0.00 0.00 176.83 177.87 3a6p h VAL 1076N 0.42 1.23 -0.39 2.27 2.07 -1.02 -2.38 116.25 118.45 3a6p h VAL 1076Ca -0.06 -0.66 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 3a6p h VAL 1076Cb 1.43 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3a6p h VAL 1076CO 0.16 0.28 -0.32 -0.07 0.02 0.00 0.00 177.57 177.63 3a6p h LEU 1077N 1.01 0.90 -1.55 2.57 3.38 -1.03 -2.06 115.31 118.55 3a6p h LEU 1077Ca 0.25 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3a6p h LEU 1077Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3a6p h LEU 1077CO -0.03 1.14 0.23 0.11 0.09 0.00 0.00 178.44 179.99 3a6p h LYS 1078N 0.72 0.54 0.14 1.13 1.57 -0.96 0.38 116.57 120.10 3a6p h LYS 1078Ca 0.08 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3a6p h LYS 1078Cb 0.88 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 3a6p h LYS 1078CO 0.08 0.38 -0.25 0.78 -0.57 0.00 0.00 179.45 179.87 3a6p h GLY 1079N 0.60 -0.48 1.74 3.86 0.00 -0.89 0.74 103.07 108.64 3a6p h GLY 1079Ca 0.14 0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 3a6p h GLY 1079CO -0.03 -0.22 0.08 1.41 0.00 0.00 0.00 176.54 177.78 3a6p h LEU 1080N -0.47 0.30 -0.30 3.11 3.38 -0.51 -2.00 115.31 118.82 3a6p h LEU 1080Ca 0.02 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3a6p h LEU 1080Cb 0.48 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3a6p h LEU 1080CO -0.13 0.29 -0.50 -0.61 0.09 0.00 0.00 178.44 177.59 3a6p h GLN 1081N 0.34 0.87 0.24 1.13 5.75 0.34 -2.85 115.11 120.92 3a6p h GLN 1081Ca 0.08 -0.53 -0.01 0.00 -0.15 0.00 0.00 58.65 58.04 3a6p h GLN 1081Cb 0.10 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3a6p h GLN 1081CO -0.01 1.17 -0.11 1.98 -2.65 0.00 0.00 178.83 179.21 3a6p h MET 1082N 0.65 -0.31 0.00 1.69 4.05 0.82 -3.42 114.93 118.42 3a6p h MET 1082Ca 0.02 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3a6p h MET 1082Cb 1.11 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 3a6p h MET 1082CO 0.11 0.01 0.00 0.72 0.23 0.00 0.00 176.91 177.98 3a6p n HIS 1083N -4.99 0.00 0.00 1.39 8.25 -0.78 -4.83 115.22 114.26 3a6p n HIS 1083Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3a6p n HIS 1083Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3a6p n HIS 1083CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a6p n GLY 1084N 1.48 1.58 0.17 -1.41 0.00 -1.08 -4.21 105.19 101.74 3a6p n GLY 1084Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.30 3a6p n GLY 1084CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6p n GLN 1085N 0.00 -0.04 -2.45 1.61 10.64 -1.26 -4.47 117.38 121.40 3a6p n GLN 1085Ca 0.00 0.75 -0.43 0.00 -1.83 0.00 0.00 57.00 55.49 3a6p n GLN 1085Cb 0.00 -1.15 -0.02 0.00 -0.86 0.00 0.00 30.24 28.21 3a6p n GLN 1085CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3a6p s HIS 1086N -5.52 2.75 0.45 2.61 2.46 -1.26 -4.92 115.29 111.86 3a6p s HIS 1086Ca -0.07 0.91 0.14 0.00 0.47 0.00 0.00 55.06 56.50 3a6p s HIS 1086Cb 0.14 -3.89 1.06 0.00 -0.13 0.00 0.00 32.58 29.75 3a6p s HIS 1086CO 0.38 -1.58 2.02 0.22 -2.47 0.00 0.00 174.74 173.31 3a6p h ASP 1087N 9.12 0.31 0.18 9.88 -0.00 -1.99 -2.22 116.42 131.70 3a6p h ASP 1087Ca -0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 56.77 3a6p h ASP 1087Cb 1.09 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 40.36 3a6p h ASP 1087CO 1.04 0.20 -0.09 1.23 -0.00 0.00 0.00 179.24 181.62 3a6p h GLY 1088N 0.35 -0.26 0.90 -0.78 0.00 -1.94 -2.92 103.07 98.42 3a6p h GLY 1088Ca 0.21 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 3a6p h GLY 1088CO -0.05 -0.09 -0.29 0.00 0.00 0.00 0.00 176.54 176.11 3a6p h MET 1090N -0.92 -0.39 -0.43 0.00 1.85 -1.48 0.60 114.93 114.17 3a6p h MET 1090Ca -0.08 0.03 0.08 0.00 -0.61 0.00 0.00 59.70 59.12 3a6p h MET 1090Cb 0.66 0.09 -0.07 0.00 0.43 0.00 0.00 31.60 32.70 3a6p h MET 1090CO 0.14 -0.26 -0.02 0.00 -0.40 0.00 0.00 176.91 176.37 3a6p h ALA 1091N 0.35 0.38 -0.14 0.39 0.00 -1.59 0.15 119.26 118.80 3a6p h ALA 1091Ca 0.10 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3a6p h ALA 1091Cb 0.58 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3a6p h ALA 1091CO -0.41 -0.40 -0.33 1.03 0.00 0.00 0.00 179.25 179.14 3a6p h SER 1092N 0.09 0.28 0.80 0.00 0.87 -0.87 -2.17 113.55 112.55 3a6p h SER 1092Ca 0.21 -0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 60.43 3a6p h SER 1092Cb 0.31 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3a6p h SER 1092CO -0.37 0.60 -1.23 -0.07 -0.53 0.00 0.00 176.83 175.24 3a6p h LEU 1093N 0.24 0.09 0.39 2.23 3.38 0.10 -2.75 115.31 119.00 3a6p h LEU 1093Ca 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3a6p h LEU 1093Cb 0.70 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3a6p h LEU 1093CO 0.05 1.09 -0.19 0.58 0.09 0.00 0.00 178.44 180.07 3a6p h VAL 1094N 0.02 0.60 -0.62 1.22 2.07 -0.59 0.36 116.25 119.31 3a6p h VAL 1094Ca -0.10 -0.31 0.10 0.00 0.82 0.00 0.00 66.70 67.21 3a6p h VAL 1094Cb 1.87 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 32.32 3a6p h VAL 1094CO 0.13 0.06 0.21 -0.74 0.02 0.00 0.00 177.57 177.25 3a6p h HIS 1095N -0.71 0.35 -0.64 1.57 -0.00 -1.47 0.15 115.15 114.40 3a6p h HIS 1095Ca -0.05 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.28 3a6p h HIS 1095Cb 0.50 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.82 3a6p h HIS 1095CO -0.01 0.06 0.14 1.25 -0.00 0.00 0.00 177.93 179.37 3a6p h LEU 1096N 0.37 0.98 -1.09 0.26 7.12 -1.37 -1.33 115.31 120.24 3a6p h LEU 1096Ca 0.32 -0.24 0.03 0.00 0.13 0.00 0.00 57.88 58.12 3a6p h LEU 1096Cb 0.43 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 40.25 3a6p h LEU 1096CO -0.35 0.97 0.61 0.00 -0.13 0.00 0.00 178.44 179.54 3a6p h ALA 1097N 1.05 1.39 -0.50 1.25 0.00 0.11 -2.64 119.26 119.92 3a6p h ALA 1097Ca 0.20 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3a6p h ALA 1097Cb 0.38 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3a6p h ALA 1097CO 0.00 0.53 -0.02 0.35 0.00 0.00 0.00 179.25 180.12 3a6p h PHE 1098N 1.19 0.91 -0.00 0.00 3.57 -0.31 -2.17 116.94 120.13 3a6p h PHE 1098Ca 0.36 -0.14 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 3a6p h PHE 1098Cb -0.02 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 3a6p h PHE 1098CO -0.00 0.84 -0.55 1.96 -2.23 0.00 0.00 178.31 178.33 3a6p h GLN 1099N 0.79 0.01 0.10 1.11 4.20 -0.91 -2.63 115.11 117.78 3a6p h GLN 1099Ca 0.15 -0.01 -0.29 0.00 0.06 0.00 0.00 58.65 58.56 3a6p h GLN 1099Cb 0.49 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.30 3a6p h GLN 1099CO 0.02 0.56 -1.21 0.82 -0.67 0.00 0.00 178.83 178.35 3a6p h ILE 1100N 0.01 1.28 0.00 2.54 2.04 -1.32 -2.47 117.51 119.59 3a6p h ILE 1100Ca -0.01 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.43 3a6p h ILE 1100Cb 0.97 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 3a6p h ILE 1100CO 0.07 0.74 0.00 0.00 0.00 0.00 0.00 178.15 178.96 3a6p n TYR 1101N -3.81 0.06 -0.11 1.37 9.36 -0.83 -2.29 117.16 120.91 3a6p n TYR 1101Ca -0.13 0.02 -0.14 0.00 3.32 0.00 0.00 57.90 60.97 3a6p n TYR 1101Cb 0.97 -0.54 -0.12 0.00 -0.63 0.00 0.00 39.34 39.03 3a6p n TYR 1101CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3a6p n GLU 1102N -1.56 0.70 0.07 2.98 1.02 -1.00 -3.35 120.64 119.50 3a6p n GLU 1102Ca 0.05 0.10 0.13 0.00 -0.02 0.00 0.00 57.16 57.41 3a6p n GLU 1102Cb 0.23 -1.47 0.36 0.00 -0.02 0.00 0.00 31.44 30.54 3a6p n GLU 1102CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a6p n ALA 1103N -3.05 2.56 -0.01 0.62 0.00 -0.93 -4.45 120.51 115.24 3a6p n ALA 1103Ca -0.38 -0.12 0.02 0.00 0.00 0.00 0.00 53.44 52.95 3a6p n ALA 1103Cb 0.98 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 3a6p n ALA 1103CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a6p n LEU 1104N -2.06 0.00 0.14 0.00 4.77 -0.97 -4.68 117.00 114.21 3a6p n LEU 1104Ca 0.05 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 3a6p n LEU 1104Cb 0.41 0.02 0.31 0.00 -2.33 0.00 0.00 43.42 41.83 3a6p n LEU 1104CO 0.32 0.02 0.81 -0.09 -1.33 0.00 0.00 177.39 177.13 3a6p h ARG 1105N 0.00 0.00 0.00 3.23 9.65 -1.73 -1.91 114.38 123.62 3a6p h ARG 1105Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3a6p h ARG 1105Cb 0.45 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 3a6p h ARG 1105CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 179.97 181.77 3a6p h PRO 1106N 0.00 0.00 0.00 0.20 0.13 -1.83 -3.39 132.00 127.11 3a6p h PRO 1106Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3a6p h PRO 1106Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3a6p h PRO 1106CO 0.00 0.00 -0.84 0.54 -0.23 0.00 0.00 178.00 177.47 3a6p n ARG 1107N -2.46 0.24 -3.68 0.86 1.74 -1.22 -5.05 116.66 107.10 3a6p n ARG 1107Ca 0.01 0.10 -0.29 0.00 -0.77 0.00 0.00 57.85 56.90 3a6p n ARG 1107Cb 0.20 -0.92 -0.04 0.00 -1.02 0.00 0.00 32.46 30.68 3a6p n ARG 1107CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3a6p s TYR 1108N -2.35 3.48 -0.62 -1.55 1.51 -0.72 -5.01 117.35 112.09 3a6p s TYR 1108Ca -0.14 0.44 0.09 0.00 -1.01 0.00 0.00 57.07 56.44 3a6p s TYR 1108Cb 0.03 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 3a6p s TYR 1108CO 0.20 0.40 0.48 1.28 -1.11 0.00 0.00 175.55 176.81 3a6p n LEU 1109N -0.31 0.80 -0.23 -1.29 4.77 -1.26 -4.37 117.00 115.12 3a6p n LEU 1109Ca -0.04 -0.65 0.14 0.00 -0.03 0.00 0.00 56.01 55.44 3a6p n LEU 1109Cb 0.53 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.20 3a6p n LEU 1109CO 0.49 0.17 0.86 -0.62 -1.33 0.00 0.00 177.39 176.96 3a6p n GLU 1110N -0.68 1.03 -0.24 3.23 1.02 -1.26 -3.67 120.64 120.07 3a6p n GLU 1110Ca 0.03 -0.46 -0.07 0.00 -0.02 0.00 0.00 57.16 56.64 3a6p n GLU 1110Cb 0.16 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.13 3a6p n GLU 1110CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3a6p h ILE 1111N 1.12 1.25 -0.02 -3.67 1.08 -1.94 -2.74 117.51 112.59 3a6p h ILE 1111Ca 0.00 -0.84 -0.07 0.00 -0.39 0.00 0.00 64.86 63.56 3a6p h ILE 1111Cb 0.38 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 3a6p h ILE 1111CO 0.00 0.33 -0.33 -0.09 -0.69 0.00 0.00 178.15 177.37 3a6p h ARG 1112N 0.96 0.03 -0.82 2.37 2.43 -1.92 -2.83 114.38 114.60 3a6p h ARG 1112Ca 0.22 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.50 3a6p h ARG 1112Cb 0.28 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 3a6p h ARG 1112CO -0.01 0.36 0.42 0.00 -1.51 0.00 0.00 179.97 179.23 3a6p h ALA 1113N 1.64 1.19 -0.14 2.80 0.00 -1.68 -1.73 119.26 121.35 3a6p h ALA 1113Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3a6p h ALA 1113Cb 0.59 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3a6p h ALA 1113CO 0.04 -0.05 -0.03 0.28 0.00 0.00 0.00 179.25 179.49 3a6p h VAL 1114N 0.64 1.29 -0.98 0.00 2.07 -1.54 -3.26 116.25 114.48 3a6p h VAL 1114Ca 0.43 -0.99 0.20 0.00 0.82 0.00 0.00 66.70 67.16 3a6p h VAL 1114Cb 0.54 1.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.89 3a6p h VAL 1114CO -0.33 0.29 0.62 0.24 0.02 0.00 0.00 177.57 178.41 3a6p h MET 1115N -0.05 0.62 0.00 1.57 2.07 -1.21 -2.35 114.93 115.57 3a6p h MET 1115Ca 0.03 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3a6p h MET 1115Cb 0.46 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.05 3a6p h MET 1115CO 0.01 0.41 0.00 0.39 1.07 0.00 0.00 176.91 178.79 3a6p n GLU 1116N -4.68 0.26 0.09 1.72 1.02 -1.01 -2.04 120.64 115.99 3a6p n GLU 1116Ca 0.22 0.24 0.13 0.00 -0.02 0.00 0.00 57.16 57.74 3a6p n GLU 1116Cb 0.64 -1.82 0.44 0.00 -0.02 0.00 0.00 31.44 30.68 3a6p n GLU 1116CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3a6p n GLN 1117N -2.27 0.21 -2.00 3.49 6.02 -0.88 -4.85 117.38 117.10 3a6p n GLN 1117Ca 0.05 0.18 -0.42 0.00 -0.01 0.00 0.00 57.00 56.80 3a6p n GLN 1117Cb 0.41 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 3a6p n GLN 1117CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3a6p s ILE 1118N -3.08 3.13 0.49 5.09 1.01 -0.87 -4.95 121.20 122.02 3a6p s ILE 1118Ca 0.11 0.63 -0.21 0.00 0.00 0.00 0.00 60.65 61.18 3a6p s ILE 1118Cb 0.14 -3.40 -0.10 0.00 0.01 0.00 0.00 42.46 39.11 3a6p s ILE 1118CO 0.58 0.01 0.74 -2.65 0.00 0.00 0.00 174.94 173.62 3a6p n PRO 1119N 5.23 0.83 -2.24 2.79 -0.02 -1.26 -3.93 135.00 136.40 3a6p n PRO 1119Ca 0.15 0.31 -0.06 0.00 -2.02 0.00 0.00 63.50 61.87 3a6p n PRO 1119Cb 0.41 -1.82 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 3a6p n PRO 1119CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3a6p n GLU 1120N 0.02 -0.41 -3.91 -0.52 4.71 -1.26 -5.03 120.64 114.24 3a6p n GLU 1120Ca 0.11 0.57 -0.28 0.00 -0.01 0.00 0.00 57.16 57.55 3a6p n GLU 1120Cb 0.43 -0.75 -0.17 0.00 -1.01 0.00 0.00 31.44 29.94 3a6p n GLU 1120CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3a6p s ILE 1121N -0.68 1.12 -0.25 -3.67 1.01 -1.25 -5.09 121.20 112.39 3a6p s ILE 1121Ca 0.06 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 59.94 3a6p s ILE 1121Cb -0.01 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 3a6p s ILE 1121CO 0.13 0.26 1.46 -1.10 0.00 0.00 0.00 174.94 175.69 3a6p s GLN 1122N 1.65 3.88 0.45 2.79 1.11 -1.26 -4.87 119.66 123.42 3a6p s GLN 1122Ca 0.03 1.48 0.14 0.00 0.01 0.00 0.00 55.36 57.02 3a6p s GLN 1122Cb -0.14 -3.95 1.03 0.00 -1.01 0.00 0.00 33.01 28.94 3a6p s GLN 1122CO -0.08 -1.17 2.02 0.87 0.01 0.00 0.00 175.29 176.93 3a6p h LYS 1123N 9.92 0.05 -0.62 2.91 1.79 -1.99 -1.63 116.57 127.00 3a6p h LYS 1123Ca -0.30 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.07 3a6p h LYS 1123Cb 1.13 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.74 3a6p h LYS 1123CO 1.01 0.17 0.04 -0.44 -1.08 0.00 0.00 179.45 179.16 3a6p h ASP 1124N 0.05 1.03 0.76 0.86 3.32 -2.00 0.21 116.42 120.66 3a6p h ASP 1124Ca 0.01 -0.29 -0.12 0.00 0.02 0.00 0.00 57.03 56.65 3a6p h ASP 1124Cb 0.24 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3a6p h ASP 1124CO 0.02 1.06 -0.57 0.77 -1.72 0.00 0.00 179.24 178.80 3a6p h SER 1125N 0.96 0.00 -0.07 6.45 4.64 -1.81 -2.82 113.55 120.91 3a6p h SER 1125Ca 0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 3a6p h SER 1125Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3a6p h SER 1125CO 0.02 0.57 0.00 0.25 -0.87 0.00 0.00 176.83 176.81 3a6p h LEU 1126N 0.00 0.12 -0.60 5.97 6.46 -0.95 -3.10 115.31 123.22 3a6p h LEU 1126Ca -0.01 -0.31 0.07 0.00 -0.12 0.00 0.00 57.88 57.52 3a6p h LEU 1126Cb 1.10 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.94 3a6p h LEU 1126CO 0.07 0.40 0.27 0.44 -0.62 0.00 0.00 178.44 179.00 3a6p h ASP 1127N -0.16 0.34 -0.56 1.25 3.45 -0.90 0.11 116.42 119.95 3a6p h ASP 1127Ca 0.02 0.05 0.03 0.00 0.43 0.00 0.00 57.03 57.57 3a6p h ASP 1127Cb 0.34 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.07 3a6p h ASP 1127CO 0.00 0.21 0.33 -0.61 -1.57 0.00 0.00 179.24 177.61 3a6p h GLN 1128N 0.50 0.63 -0.03 3.56 -0.00 -1.55 -2.22 115.11 115.99 3a6p h GLN 1128Ca 0.29 -0.04 -0.19 0.00 -0.00 0.00 0.00 58.65 58.71 3a6p h GLN 1128Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.61 3a6p h GLN 1128CO -0.24 0.42 -0.81 0.35 0.00 0.00 0.00 178.83 178.55 3a6p h PHE 1129N 0.65 0.44 -0.64 3.99 3.57 -1.34 -2.93 116.94 120.67 3a6p h PHE 1129Ca 0.23 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3a6p h PHE 1129Cb 0.05 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3a6p h PHE 1129CO -0.07 0.99 0.40 0.22 -2.23 0.00 0.00 178.31 177.62 3a6p h ASP 1130N 0.19 0.76 1.60 0.41 1.82 -0.58 -3.08 116.42 117.54 3a6p h ASP 1130Ca -0.04 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.51 3a6p h ASP 1130Cb 1.40 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 3a6p h ASP 1130CO 0.13 0.59 -0.41 0.00 -1.61 0.00 0.00 179.24 177.94 3a6p h LYS 1132N 0.00 0.77 0.00 0.00 3.64 -1.42 -2.92 116.57 116.64 3a6p h LYS 1132Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3a6p h LYS 1132Cb 1.15 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3a6p h LYS 1132CO 0.02 0.53 -1.01 1.28 -2.27 0.00 0.00 179.45 178.01 3a6p n LEU 1133N -4.43 0.64 -1.51 5.20 4.77 -1.24 -4.13 117.00 116.29 3a6p n LEU 1133Ca 0.06 -0.10 0.05 0.00 -0.03 0.00 0.00 56.01 55.98 3a6p n LEU 1133Cb 0.06 -0.09 0.29 0.00 -2.33 0.00 0.00 43.42 41.35 3a6p n LEU 1133CO 0.36 0.09 0.71 0.18 -1.33 0.00 0.00 177.39 177.39 3a6p n LEU 1134N -1.84 4.45 0.08 2.23 4.77 -1.11 -4.63 117.00 120.94 3a6p n LEU 1134Ca 0.02 -2.26 0.00 0.00 -0.03 0.00 0.00 56.01 53.75 3a6p n LEU 1134Cb 0.41 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3a6p n LEU 1134CO 0.40 0.53 0.00 0.59 -1.33 0.00 0.00 177.39 177.58 3a6p n ASN 1135N 0.43 0.74 -0.40 -1.43 3.02 -1.21 -5.04 115.26 111.37 3a6p n ASN 1135Ca 0.20 0.24 0.14 0.00 -0.03 0.00 0.00 54.58 55.14 3a6p n ASN 1135Cb 0.94 -0.12 0.59 0.00 -0.61 0.00 0.00 39.78 40.58 3a6p n ASN 1135CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83