#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3r n PRO 12 N 0.00 1.25 -2.29 -1.08 -0.02 -1.26 -4.94 135.00 126.67 1r3r n PRO 12 Ca 0.00 0.47 -0.40 0.00 -2.02 0.00 0.00 63.50 61.54 1r3r n PRO 12 Cb 0.00 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.16 1r3r n PRO 12 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1r3r s GLU 13 N -2.67 4.49 0.15 -0.52 2.12 -1.26 -4.52 118.70 116.49 1r3r s GLU 13 Ca 0.72 2.02 -0.30 0.00 0.36 0.00 0.00 54.97 57.77 1r3r s GLU 13 Cb -0.44 -3.13 -0.08 0.00 0.26 0.00 0.00 34.13 30.74 1r3r s GLU 13 CO 0.49 0.00 1.27 -1.17 -0.54 0.00 0.00 175.26 175.32 1r3r s LEU 14 N -1.62 4.41 -0.22 2.70 2.96 -1.26 -4.33 118.68 121.32 1r3r s LEU 14 Ca 0.47 2.26 -0.16 0.00 -0.22 0.00 0.00 54.13 56.47 1r3r s LEU 14 Cb -0.36 -3.60 -0.18 0.00 0.50 0.00 0.00 46.19 42.55 1r3r s LEU 14 CO 0.47 -0.50 0.05 0.29 -1.32 0.00 0.00 176.35 175.34 1r3r n LYS 15 N 3.15 0.60 -3.75 1.98 5.02 0.17 -4.80 118.16 120.53 1r3r n LYS 15 Ca 0.07 0.43 -0.38 0.00 -2.02 0.00 0.00 58.31 56.42 1r3r n LYS 15 Cb 0.44 -1.66 -0.12 0.00 -0.02 0.00 0.00 35.03 33.67 1r3r n LYS 15 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1r3r s ASN 16 N -7.04 5.31 -0.12 4.39 2.47 -1.08 -4.94 114.94 113.92 1r3r s ASN 16 Ca -0.31 -1.35 0.15 0.00 0.42 0.00 0.00 52.86 51.77 1r3r s ASN 16 Cb 0.09 -1.86 0.55 0.00 -1.45 0.00 0.00 41.25 38.58 1r3r s ASN 16 CO 0.58 -0.39 1.47 -0.90 -3.72 0.00 0.00 177.10 174.14 1r3r n ASP 17 N 4.77 4.05 -0.34 -4.21 5.75 -1.26 -4.09 116.55 121.22 1r3r n ASP 17 Ca -0.11 -2.59 0.06 0.00 -0.01 0.00 0.00 54.79 52.15 1r3r n ASP 17 Cb 0.44 -0.49 0.22 0.00 -1.03 0.00 0.00 41.12 40.26 1r3r n ASP 17 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1r3r h THR 18 N 2.69 0.89 -0.79 2.12 2.02 -1.92 -0.62 112.91 117.30 1r3r h THR 18 Ca 0.00 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1r3r h THR 18 Cb 1.31 -0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1r3r h THR 18 CO 0.19 0.16 0.50 0.15 0.37 0.00 0.00 175.52 176.90 1r3r h PHE 19 N 0.90 0.94 -0.16 3.16 3.57 -1.84 -1.04 116.94 122.48 1r3r h PHE 19 Ca 0.47 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.91 1r3r h PHE 19 Cb 0.49 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1r3r h PHE 19 CO -0.03 0.54 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.30 1r3r h LEU 20 N 0.98 0.47 -0.49 0.59 3.38 -1.49 -1.21 115.31 117.55 1r3r h LEU 20 Ca 0.32 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.84 1r3r h LEU 20 Cb 0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1r3r h LEU 20 CO -0.11 0.90 0.16 0.03 0.09 0.00 0.00 178.44 179.50 1r3r h ARG 21 N 0.06 0.31 -0.77 1.13 3.08 -1.29 -0.95 114.38 115.95 1r3r h ARG 21 Ca 0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1r3r h ARG 21 Cb 0.79 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 1r3r h ARG 21 CO 0.05 0.21 0.37 0.00 -1.07 0.00 0.00 179.97 179.52 1r3r h ALA 22 N 1.34 0.99 -0.98 0.04 0.00 -1.12 0.21 119.26 119.75 1r3r h ALA 22 Ca 0.24 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1r3r h ALA 22 Cb 0.27 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1r3r h ALA 22 CO -0.26 0.56 0.64 0.00 0.00 0.00 0.00 179.25 180.19 1r3r h ALA 23 N 1.19 1.31 0.00 0.00 0.00 -0.46 -0.74 119.26 120.56 1r3r h ALA 23 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1r3r h ALA 23 Cb 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1r3r h ALA 23 CO -0.03 0.51 0.00 0.91 0.00 0.00 0.00 179.25 180.64 1r3r n TRP 24 N -4.47 0.03 -0.25 0.00 7.02 -0.43 -4.59 117.44 114.75 1r3r n TRP 24 Ca 0.13 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 1r3r n TRP 24 Cb 0.11 -0.51 0.00 0.00 -2.42 0.00 0.00 31.31 28.48 1r3r n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1r3r n GLY 25 N 1.44 0.88 3.88 6.99 0.00 -0.28 -5.01 105.19 113.08 1r3r n GLY 25 Ca 0.07 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1r3r n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3r s GLU 26 N -0.52 3.72 0.32 1.61 2.02 -0.01 -4.74 118.70 121.10 1r3r s GLU 26 Ca 0.00 0.39 -0.28 0.00 0.02 0.00 0.00 54.97 55.09 1r3r s GLU 26 Cb 0.00 -2.40 -0.10 0.00 0.10 0.00 0.00 34.13 31.73 1r3r s GLU 26 CO 0.00 -0.06 1.21 -2.00 0.02 0.00 0.00 175.26 174.42 1r3r s GLU 27 N -4.03 4.42 0.26 1.61 2.56 -1.26 -4.25 118.70 118.02 1r3r s GLU 27 Ca 0.50 2.00 0.03 0.00 0.00 0.00 0.00 54.97 57.51 1r3r s GLU 27 Cb -0.10 -3.06 -0.06 0.00 2.00 0.00 0.00 34.13 32.91 1r3r s GLU 27 CO 0.34 -0.05 0.03 0.95 -0.56 0.00 0.00 175.26 175.97 1r3r s THR 28 N -1.19 1.04 -0.87 -1.70 -4.23 -1.26 -4.93 115.64 102.50 1r3r s THR 28 Ca 0.48 -2.02 0.28 0.00 -1.18 0.00 0.00 61.69 59.25 1r3r s THR 28 Cb -0.35 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.22 1r3r s THR 28 CO 0.46 -0.18 1.86 0.47 -0.54 0.00 0.00 174.62 176.69 1r3r n ASP 29 N -0.51 0.39 -3.76 3.99 8.00 -1.26 -4.85 116.55 118.55 1r3r n ASP 29 Ca -0.03 0.53 -0.08 0.00 0.71 0.00 0.00 54.79 55.92 1r3r n ASP 29 Cb 0.65 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 1r3r n ASP 29 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1r3r s TYR 30 N -3.05 -0.24 -0.21 1.24 -0.85 -1.26 -4.56 117.35 108.42 1r3r s TYR 30 Ca 0.12 -0.15 -0.21 0.00 -0.52 0.00 0.00 57.07 56.32 1r3r s TYR 30 Cb 0.16 0.63 -0.02 0.00 0.38 0.00 0.00 41.96 43.11 1r3r s TYR 30 CO 0.56 -1.12 0.64 0.99 -1.52 0.00 0.00 175.55 175.10 1r3r s THR 31 N -3.88 5.00 0.49 -3.49 2.01 -1.26 -5.03 115.64 109.48 1r3r s THR 31 Ca 0.09 1.20 -0.20 0.00 0.31 0.00 0.00 61.69 63.09 1r3r s THR 31 Cb -0.04 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.43 1r3r s THR 31 CO 0.02 0.08 1.04 -2.16 -0.69 0.00 0.00 174.62 172.91 1r3r s PRO 32 N 2.08 3.79 -0.01 4.92 0.04 -1.26 -4.55 135.00 140.01 1r3r s PRO 32 Ca 0.29 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1r3r s PRO 32 Cb -0.16 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 1r3r s PRO 32 CO 0.10 -0.44 0.02 0.54 0.04 0.00 0.00 177.00 177.26 1r3r s VAL 33 N -2.02 0.01 0.26 -0.36 0.11 -1.26 -1.20 120.40 115.94 1r3r s VAL 33 Ca 0.67 -0.11 -0.06 0.00 -2.93 0.00 0.00 61.98 59.55 1r3r s VAL 33 Cb -0.16 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1r3r s VAL 33 CO 0.21 -0.06 0.35 -1.66 -3.33 0.00 0.00 175.10 170.61 1r3r s TRP 34 N -0.18 0.85 -0.08 1.54 1.48 -1.08 -0.73 118.94 120.76 1r3r s TRP 34 Ca -0.02 -1.11 0.02 0.00 -1.06 0.00 0.00 56.10 53.92 1r3r s TRP 34 Cb -0.01 -0.16 0.02 0.00 -1.16 0.00 0.00 33.47 32.15 1r3r s TRP 34 CO -0.00 -0.90 -0.12 0.00 -4.06 0.00 0.00 176.95 171.87 1r3r n MET 36 N 4.03 2.67 -2.23 0.00 2.81 -1.26 -1.20 117.12 121.93 1r3r n MET 36 Ca -0.21 0.94 -0.20 0.00 -1.81 0.00 0.00 57.70 56.42 1r3r n MET 36 Cb 0.51 -2.67 -0.02 0.00 -0.71 0.00 0.00 33.22 30.33 1r3r n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1r3r n ARG 37 N 0.55 -1.54 0.15 0.03 1.74 -1.26 -1.90 116.66 114.43 1r3r n ARG 37 Ca 0.02 1.00 0.09 0.00 -0.77 0.00 0.00 57.85 58.18 1r3r n ARG 37 Cb 0.39 -5.55 0.59 0.00 -1.02 0.00 0.00 32.46 26.86 1r3r n ARG 37 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1r3r h GLN 38 N 0.00 0.15 -5.16 5.56 3.07 -1.55 -2.93 115.11 114.25 1r3r h GLN 38 Ca -0.46 -0.01 -0.66 0.00 0.09 0.00 0.00 58.65 57.61 1r3r h GLN 38 Cb 1.34 -0.03 -0.17 0.00 0.08 0.00 0.00 27.48 28.70 1r3r h GLN 38 CO 0.56 0.10 0.25 0.00 0.09 0.00 0.00 178.83 179.83 1r3r s ALA 39 N -5.18 3.30 0.34 0.06 0.00 -1.26 -4.53 121.76 114.48 1r3r s ALA 39 Ca -0.06 -1.77 -0.17 0.00 0.00 0.00 0.00 51.96 49.96 1r3r s ALA 39 Cb 0.18 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1r3r s ALA 39 CO 0.70 -2.29 0.86 0.20 0.00 0.00 0.00 175.76 175.22 1r3r s GLY 40 N 3.10 0.32 0.17 0.00 0.00 -1.11 -5.04 107.32 104.76 1r3r s GLY 40 Ca 0.18 -0.66 0.16 0.00 0.00 0.00 0.00 44.72 44.41 1r3r s GLY 40 CO 0.12 0.42 1.49 0.54 0.00 0.00 0.00 173.10 175.66 1r3r n ARG 41 N -0.58 0.10 0.25 2.90 1.74 -1.26 -1.30 116.66 118.52 1r3r n ARG 41 Ca -0.07 0.48 0.17 0.00 -0.77 0.00 0.00 57.85 57.66 1r3r n ARG 41 Cb 0.60 -1.75 0.77 0.00 -1.02 0.00 0.00 32.46 31.06 1r3r n ARG 41 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1r3r h TYR 42 N 0.00 0.00 -3.49 -1.55 -0.00 -1.78 -3.41 116.97 106.74 1r3r h TYR 42 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 58.73 58.12 1r3r h TYR 42 Cb 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 36.76 1r3r h TYR 42 CO 0.00 0.00 0.10 -0.51 -0.00 0.00 0.00 178.16 177.75 1r3r s LEU 43 N -5.70 4.08 0.31 0.10 1.43 -0.42 -4.48 118.68 114.01 1r3r s LEU 43 Ca -0.00 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 1r3r s LEU 43 Cb 0.10 -2.81 0.56 0.00 0.03 0.00 0.00 46.19 44.07 1r3r s LEU 43 CO 0.45 -0.32 1.92 -0.65 0.23 0.00 0.00 176.35 177.98 1r3r h PRO 44 N 7.80 0.96 0.00 1.29 0.11 -1.87 -1.55 132.00 138.74 1r3r h PRO 44 Ca -0.29 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1r3r h PRO 44 Cb 1.13 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1r3r h PRO 44 CO 0.76 0.63 -0.30 1.05 -0.21 0.00 0.00 178.00 179.93 1r3r h GLU 45 N 0.99 0.00 -0.20 1.05 9.09 -1.94 -0.84 114.58 122.74 1r3r h GLU 45 Ca 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.78 1r3r h GLU 45 Cb 0.21 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.30 1r3r h GLU 45 CO -0.14 0.30 0.09 0.35 0.05 0.00 0.00 179.01 179.66 1r3r h PHE 46 N 0.00 0.29 -0.45 2.06 3.57 -1.55 -1.51 116.94 119.35 1r3r h PHE 46 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1r3r h PHE 46 Cb 0.59 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1r3r h PHE 46 CO 0.00 0.31 0.12 0.00 -2.23 0.00 0.00 178.31 176.51 1r3r h ARG 47 N 0.18 0.72 -0.27 1.11 3.08 -1.18 -0.11 114.38 117.90 1r3r h ARG 47 Ca 0.07 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 59.99 1r3r h ARG 47 Cb 0.14 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1r3r h ARG 47 CO -0.01 0.71 0.03 1.49 -1.07 0.00 0.00 179.97 181.12 1r3r h GLU 48 N 0.60 0.12 -0.68 0.04 4.81 -1.12 0.52 114.58 118.87 1r3r h GLU 48 Ca 0.14 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1r3r h GLU 48 Cb 0.31 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1r3r h GLU 48 CO -0.00 0.08 0.21 1.15 -0.73 0.00 0.00 179.01 179.72 1r3r h THR 49 N 0.12 1.25 0.00 0.32 2.02 -1.02 -2.66 112.91 112.94 1r3r h THR 49 Ca 0.13 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 1r3r h THR 49 Cb 0.15 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1r3r h THR 49 CO -0.19 0.34 -0.39 0.03 0.37 0.00 0.00 175.52 175.67 1r3r h ARG 50 N 1.00 0.00 -0.05 6.66 2.47 -0.63 -3.19 114.38 120.64 1r3r h ARG 50 Ca 0.22 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.95 1r3r h ARG 50 Cb 0.31 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1r3r h ARG 50 CO -0.01 0.39 0.06 0.00 0.56 0.00 0.00 179.97 180.98 1r3r h ALA 51 N 1.61 1.60 -0.56 0.04 0.00 -0.53 -2.95 119.26 118.47 1r3r h ALA 51 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r3r h ALA 51 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1r3r h ALA 51 CO 0.05 -0.09 0.34 0.00 0.00 0.00 0.00 179.25 179.56 1r3r h ALA 52 N 1.93 0.71 -1.17 0.00 0.00 -1.67 -3.46 119.26 115.61 1r3r h ALA 52 Ca 0.02 -0.07 -0.60 0.00 0.00 0.00 0.00 54.91 54.26 1r3r h ALA 52 Cb 0.14 -0.23 -0.13 0.00 0.00 0.00 0.00 17.79 17.58 1r3r h ALA 52 CO -0.00 0.19 -0.52 -0.65 0.00 0.00 0.00 179.25 178.26 1r3r s GLN 53 N -6.01 2.02 0.67 0.00 1.11 -1.11 -5.13 119.66 111.20 1r3r s GLN 53 Ca -0.13 -2.25 -0.09 0.00 0.01 0.00 0.00 55.36 52.90 1r3r s GLN 53 Cb 0.13 -1.03 0.02 0.00 -1.01 0.00 0.00 33.01 31.11 1r3r s GLN 53 CO 0.76 -0.40 1.02 0.16 0.01 0.00 0.00 175.29 176.84 1r3r s ASP 54 N -3.71 5.39 0.10 5.90 -4.77 -1.26 -4.87 116.67 113.44 1r3r s ASP 54 Ca 0.18 0.89 -0.26 0.00 -3.30 0.00 0.00 52.55 50.06 1r3r s ASP 54 Cb 0.03 -1.73 -0.12 0.00 -1.09 0.00 0.00 42.92 40.00 1r3r s ASP 54 CO 0.10 -1.29 1.69 0.15 0.70 0.00 0.00 175.17 176.52 1r3r h PHE 55 N -0.49 -0.37 0.00 2.11 3.57 -1.94 -0.49 116.94 119.34 1r3r h PHE 55 Ca -0.45 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1r3r h PHE 55 Cb 1.26 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 1r3r h PHE 55 CO 0.46 -0.22 -0.02 0.74 -2.23 0.00 0.00 178.31 177.05 1r3r h PHE 56 N -0.32 0.00 -0.02 0.41 -1.00 -1.99 -2.39 116.94 111.64 1r3r h PHE 56 Ca 0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 1r3r h PHE 56 Cb 0.30 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1r3r h PHE 56 CO -0.12 0.02 -0.80 1.03 -1.61 0.00 0.00 178.31 176.82 1r3r h SER 57 N 0.00 0.31 -0.27 2.17 0.87 -1.77 -2.81 113.55 112.05 1r3r h SER 57 Ca -0.00 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1r3r h SER 57 Cb 0.77 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1r3r h SER 57 CO 0.00 0.99 0.14 0.74 -0.53 0.00 0.00 176.83 178.17 1r3r h THR 58 N 0.15 1.14 -0.14 2.23 2.02 -0.68 -2.85 112.91 114.78 1r3r h THR 58 Ca -0.04 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.81 1r3r h THR 58 Cb 1.40 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1r3r h THR 58 CO 0.13 0.13 0.11 0.00 0.37 0.00 0.00 175.52 176.26 1r3r n ARG 60 N -4.42 1.66 -3.80 0.00 1.74 -1.06 -4.74 116.66 106.03 1r3r n ARG 60 Ca 0.00 -0.99 -0.37 0.00 -0.77 0.00 0.00 57.85 55.72 1r3r n ARG 60 Cb 0.23 -1.35 -0.13 0.00 -1.02 0.00 0.00 32.46 30.19 1r3r n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1r3r s SER 61 N -1.46 5.18 0.23 0.55 0.15 -0.63 -4.97 113.70 112.76 1r3r s SER 61 Ca 0.30 -1.24 -0.07 0.00 0.70 0.00 0.00 55.95 55.64 1r3r s SER 61 Cb 0.16 -1.82 0.30 0.00 -1.71 0.00 0.00 66.02 62.95 1r3r s SER 61 CO 0.23 -0.32 1.82 -0.65 1.20 0.00 0.00 173.24 175.52 1r3r h PRO 62 N 8.14 0.77 -0.56 5.44 0.11 -1.84 -1.03 132.00 143.04 1r3r h PRO 62 Ca -0.22 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 1r3r h PRO 62 Cb 1.07 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1r3r h PRO 62 CO 0.59 0.51 0.12 0.93 -0.21 0.00 0.00 178.00 179.94 1r3r h GLU 63 N 0.80 0.90 -0.48 1.05 4.39 -1.94 -0.56 114.58 118.75 1r3r h GLU 63 Ca 0.34 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 1r3r h GLU 63 Cb 0.22 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1r3r h GLU 63 CO -0.19 0.85 0.05 0.00 -1.16 0.00 0.00 179.01 178.56 1r3r h ALA 64 N 1.01 0.64 -0.52 3.43 0.00 -1.77 -1.33 119.26 120.72 1r3r h ALA 64 Ca 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1r3r h ALA 64 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1r3r h ALA 64 CO 0.00 0.40 0.16 0.00 0.00 0.00 0.00 179.25 179.82 1r3r h GLU 67 N 0.40 0.40 -0.58 0.00 4.57 -0.98 -1.84 114.58 116.56 1r3r h GLU 67 Ca 0.19 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1r3r h GLU 67 Cb 0.12 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1r3r h GLU 67 CO -0.15 0.32 0.06 -0.07 -1.18 0.00 0.00 179.01 177.99 1r3r h LEU 68 N 0.37 0.91 -0.56 1.64 3.38 -1.23 -2.02 115.31 117.80 1r3r h LEU 68 Ca 0.10 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1r3r h LEU 68 Cb 0.02 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 1r3r h LEU 68 CO -0.02 0.93 0.17 0.74 0.09 0.00 0.00 178.44 180.35 1r3r h THR 69 N 0.89 0.74 -0.01 0.22 2.02 -0.84 -3.03 112.91 112.89 1r3r h THR 69 Ca 0.18 -0.11 -0.14 0.00 0.77 0.00 0.00 66.41 67.10 1r3r h THR 69 Cb 0.44 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1r3r h THR 69 CO 0.02 0.06 -0.68 -0.07 0.37 0.00 0.00 175.52 175.22 1r3r h LEU 70 N 0.32 0.04 -0.41 2.58 3.38 -1.02 -3.37 115.31 116.83 1r3r h LEU 70 Ca 0.28 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.31 1r3r h LEU 70 Cb 0.37 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1r3r h LEU 70 CO -0.32 0.70 -0.32 1.56 0.09 0.00 0.00 178.44 180.15 1r3r h GLN 71 N 0.02 -0.24 -0.86 1.13 4.20 -1.24 -0.97 115.11 117.15 1r3r h GLN 71 Ca -0.01 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.83 1r3r h GLN 71 Cb 1.20 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.97 1r3r h GLN 71 CO 0.09 -0.16 0.56 -1.00 -0.67 0.00 0.00 178.83 177.65 1r3r h PRO 72 N -0.24 0.77 0.00 1.46 0.13 -1.74 -2.19 132.00 130.18 1r3r h PRO 72 Ca 0.18 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 1r3r h PRO 72 Cb 0.54 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1r3r h PRO 72 CO -0.54 0.51 -0.20 -0.07 -0.23 0.00 0.00 178.00 177.46 1r3r h LEU 73 N 0.79 0.00 -1.33 1.56 3.38 -1.35 0.29 115.31 118.64 1r3r h LEU 73 Ca 0.41 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 1r3r h LEU 73 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1r3r h LEU 73 CO -0.18 0.20 -0.28 0.03 0.09 0.00 0.00 178.44 178.31 1r3r h ARG 74 N 0.00 0.00 0.11 1.13 3.08 -1.02 -3.29 114.38 114.39 1r3r h ARG 74 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.68 1r3r h ARG 74 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1r3r h ARG 74 CO 0.03 0.28 -2.02 0.54 -1.07 0.00 0.00 179.97 177.73 1r3r n ARG 75 N -3.68 0.75 -4.29 0.04 1.74 -0.56 -4.98 116.66 105.68 1r3r n ARG 75 Ca -0.01 0.26 -0.18 0.00 -0.77 0.00 0.00 57.85 57.14 1r3r n ARG 75 Cb 0.39 -1.70 -0.13 0.00 -1.02 0.00 0.00 32.46 30.00 1r3r n ARG 75 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1r3r s PHE 76 N -2.56 0.94 -1.53 -1.55 0.40 0.90 -5.00 117.98 109.58 1r3r s PHE 76 Ca -0.22 -0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 55.69 1r3r s PHE 76 Cb 0.07 -0.57 -0.05 0.00 0.51 0.00 0.00 43.02 42.98 1r3r s PHE 76 CO 0.76 -0.00 2.67 -0.35 0.70 0.00 0.00 175.22 179.00 1r3r n PRO 77 N 2.18 3.33 -2.30 0.24 -0.04 -1.26 -4.17 135.00 132.97 1r3r n PRO 77 Ca -0.17 -2.31 -0.34 0.00 -0.04 0.00 0.00 63.50 60.64 1r3r n PRO 77 Cb 0.56 -2.96 -0.01 0.00 -0.04 0.00 0.00 33.50 31.05 1r3r n PRO 77 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r3r s LEU 78 N 0.87 3.74 0.00 1.53 1.43 -1.26 -4.94 118.68 120.06 1r3r s LEU 78 Ca 0.61 2.06 0.20 0.00 -1.03 0.00 0.00 54.13 55.97 1r3r s LEU 78 Cb 0.16 -4.57 0.55 0.00 0.03 0.00 0.00 46.19 42.37 1r3r s LEU 78 CO -0.07 -1.10 1.45 0.47 0.23 0.00 0.00 176.35 177.33 1r3r n ASP 79 N -1.32 2.56 -3.57 2.29 8.00 0.09 -4.86 116.55 119.75 1r3r n ASP 79 Ca 0.11 -1.89 -0.15 0.00 0.71 0.00 0.00 54.79 53.56 1r3r n ASP 79 Cb 0.52 -0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 1r3r n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r3r s ALA 80 N -1.55 -1.46 0.12 2.24 0.00 -1.26 -4.27 121.76 115.58 1r3r s ALA 80 Ca 0.35 0.85 0.05 0.00 0.00 0.00 0.00 51.96 53.21 1r3r s ALA 80 Cb 0.19 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1r3r s ALA 80 CO 0.27 -0.44 0.03 0.00 0.00 0.00 0.00 175.76 175.63 1r3r s ALA 81 N -1.87 3.36 -0.05 0.00 0.00 -0.54 -4.89 121.76 117.76 1r3r s ALA 81 Ca -0.08 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.75 1r3r s ALA 81 Cb -0.01 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 1r3r s ALA 81 CO 0.03 0.62 -0.21 -1.50 0.00 0.00 0.00 175.76 174.70 1r3r s ILE 82 N -1.49 1.77 0.36 0.00 2.07 -1.26 -0.85 121.20 121.79 1r3r s ILE 82 Ca 0.27 -0.91 -0.28 0.00 -1.41 0.00 0.00 60.65 58.32 1r3r s ILE 82 Cb -0.11 -1.50 -0.11 0.00 0.13 0.00 0.00 42.46 40.86 1r3r s ILE 82 CO 0.20 0.50 1.51 0.00 -1.91 0.00 0.00 174.94 175.23 1r3r n ILE 83 N 3.03 1.81 -2.36 2.00 0.13 -0.64 -4.78 119.36 118.56 1r3r n ILE 83 Ca -0.18 -0.45 -0.42 0.00 -1.10 0.00 0.00 62.75 60.59 1r3r n ILE 83 Cb 0.52 -1.97 -0.03 0.00 -0.84 0.00 0.00 39.64 37.33 1r3r n ILE 83 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 1r3r s PHE 84 N -0.91 2.90 0.00 9.51 5.36 -1.26 -4.94 117.98 128.64 1r3r s PHE 84 Ca 0.55 0.98 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1r3r s PHE 84 Cb -0.48 -3.54 0.00 0.00 -0.34 0.00 0.00 43.02 38.66 1r3r s PHE 84 CO 0.61 -1.89 0.00 0.45 -1.46 0.00 0.00 175.22 172.93 1r3r n SER 85 N 5.92 0.00 -3.83 6.13 2.88 -1.26 -4.85 113.62 118.61 1r3r n SER 85 Ca 0.13 -0.16 -0.11 0.00 -1.33 0.00 0.00 58.87 57.40 1r3r n SER 85 Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.82 1r3r n SER 85 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1r3r s ASN 86 N 1.52 -0.02 0.38 -3.46 3.84 -1.26 -5.03 114.94 110.90 1r3r s ASN 86 Ca 0.00 -0.21 0.28 0.00 0.21 0.00 0.00 52.86 53.14 1r3r s ASN 86 Cb 0.00 0.27 1.13 0.00 -0.55 0.00 0.00 41.25 42.10 1r3r s ASN 86 CO 0.00 -0.47 1.83 0.16 -2.79 0.00 0.00 177.10 175.83 1r3r h ILE 87 N 3.82 0.00 -0.00 -5.21 3.07 -1.95 -2.99 117.51 114.24 1r3r h ILE 87 Ca -0.31 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 65.74 1r3r h ILE 87 Cb 1.19 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.95 1r3r h ILE 87 CO 0.44 0.00 -0.00 0.18 -1.05 0.00 0.00 178.15 177.71 1r3r n LEU 88 N -2.60 0.02 0.27 0.16 4.77 -1.26 -3.35 117.00 115.01 1r3r n LEU 88 Ca 0.02 0.14 0.12 0.00 -0.03 0.00 0.00 56.01 56.25 1r3r n LEU 88 Cb 0.27 -0.15 0.75 0.00 -2.33 0.00 0.00 43.42 41.97 1r3r n LEU 88 CO 0.23 0.00 1.04 -0.37 -1.33 0.00 0.00 177.39 176.96 1r3r h VAL 89 N 0.03 0.71 0.37 4.08 -1.51 -1.96 -2.20 116.25 115.77 1r3r h VAL 89 Ca 0.00 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.19 1r3r h VAL 89 Cb 0.15 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1r3r h VAL 89 CO 0.00 0.07 -0.18 0.58 -1.23 0.00 0.00 177.57 176.81 1r3r h VAL 90 N 0.00 0.36 -0.63 7.19 2.07 -1.83 -1.14 116.25 122.27 1r3r h VAL 90 Ca -0.00 -0.69 0.10 0.00 0.82 0.00 0.00 66.70 66.93 1r3r h VAL 90 Cb 0.15 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1r3r h VAL 90 CO 0.01 0.08 0.42 -0.65 0.02 0.00 0.00 177.57 177.45 1r3r h PRO 91 N -1.01 0.43 -0.04 1.57 0.11 -1.79 -0.88 132.00 130.39 1r3r h PRO 91 Ca -0.05 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.05 1r3r h PRO 91 Cb 0.51 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1r3r h PRO 91 CO 0.08 0.29 -0.04 1.96 -0.21 0.00 0.00 178.00 180.08 1r3r h GLN 92 N 0.45 -0.06 0.00 1.05 4.20 -1.35 -1.98 115.11 117.42 1r3r h GLN 92 Ca 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1r3r h GLN 92 Cb 0.55 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1r3r h GLN 92 CO -0.09 -0.04 -0.02 0.00 -0.67 0.00 0.00 178.83 178.02 1r3r h ALA 93 N 0.98 1.01 0.00 3.87 0.00 -0.40 -0.74 119.26 123.98 1r3r h ALA 93 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1r3r h ALA 93 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1r3r h ALA 93 CO -0.08 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.47 1r3r n LEU 94 N -3.12 0.00 0.00 0.00 4.77 -0.41 -4.78 117.00 113.46 1r3r n LEU 94 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1r3r n LEU 94 Cb 0.30 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1r3r n LEU 94 CO 0.27 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1r3r n GLY 95 N 1.10 1.01 3.83 -0.72 0.00 -0.29 -0.07 105.19 110.06 1r3r n GLY 95 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1r3r n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r3r s MET 96 N -0.45 4.10 -0.12 1.61 -1.94 -0.78 -4.95 119.30 116.78 1r3r s MET 96 Ca 0.00 0.65 -0.19 0.00 -1.71 0.00 0.00 55.69 54.45 1r3r s MET 96 Cb 0.00 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 1r3r s MET 96 CO 0.00 0.44 0.51 -1.21 -0.01 0.00 0.00 175.02 174.75 1r3r s GLU 97 N -1.96 4.35 0.29 2.03 0.41 -1.26 -4.13 118.70 118.42 1r3r s GLU 97 Ca 0.40 0.51 0.11 0.00 -0.41 0.00 0.00 54.97 55.58 1r3r s GLU 97 Cb -0.16 -3.44 -0.05 0.00 -1.78 0.00 0.00 34.13 28.70 1r3r s GLU 97 CO 0.20 0.13 -0.12 0.08 -0.49 0.00 0.00 175.26 175.06 1r3r s VAL 98 N 0.71 2.73 -0.01 2.63 1.01 -1.26 -4.24 120.40 121.96 1r3r s VAL 98 Ca 0.27 -2.21 -0.10 0.00 0.00 0.00 0.00 61.98 59.94 1r3r s VAL 98 Cb -0.15 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1r3r s VAL 98 CO 0.11 -0.36 0.21 0.42 0.00 0.00 0.00 175.10 175.49 1r3r s THR 99 N -2.47 0.07 -0.76 3.92 -4.23 0.12 -5.00 115.64 107.28 1r3r s THR 99 Ca 0.31 -0.54 -0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1r3r s THR 99 Cb -0.04 -0.49 0.20 0.00 1.34 0.00 0.00 72.50 73.50 1r3r s THR 99 CO 0.17 -0.30 0.64 -0.32 -0.54 0.00 0.00 174.62 174.27 1r3r s MET 100 N -1.21 3.12 0.08 3.99 1.75 -1.26 -0.69 119.30 125.07 1r3r s MET 100 Ca -0.13 -2.64 -0.31 0.00 -1.25 0.00 0.00 55.69 51.37 1r3r s MET 100 Cb -0.06 -4.06 -0.09 0.00 2.84 0.00 0.00 34.83 33.46 1r3r s MET 100 CO 0.02 -1.23 1.76 0.08 -0.65 0.00 0.00 175.02 175.00 1r3r s VAL 101 N -0.21 2.85 -0.39 10.11 1.01 -0.34 -4.84 120.40 128.59 1r3r s VAL 101 Ca 0.19 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.14 1r3r s VAL 101 Cb -0.15 -3.17 -0.14 0.00 0.00 0.00 0.00 36.38 32.92 1r3r s VAL 101 CO -0.07 -0.00 1.57 -2.65 0.00 0.00 0.00 175.10 173.95 1r3r n PRO 102 N 5.91 0.00 -1.25 2.72 -0.02 -1.26 0.55 135.00 141.65 1r3r n PRO 102 Ca 0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 1r3r n PRO 102 Cb 0.40 -1.07 -0.04 0.00 -0.02 0.00 0.00 33.50 32.76 1r3r n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r3r n GLY 103 N 5.29 0.96 0.00 -1.23 0.00 -1.26 -4.79 105.19 104.16 1r3r n GLY 103 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1r3r n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r3r n LYS 104 N -0.77 3.91 0.00 1.61 4.01 0.19 -5.14 118.16 121.97 1r3r n LYS 104 Ca -0.10 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.70 1r3r n LYS 104 Cb 0.55 -0.51 0.00 0.00 -0.51 0.00 0.00 35.03 34.55 1r3r n LYS 104 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1r3r n GLY 105 N 1.04 -2.82 3.77 0.72 0.00 -0.92 -4.84 105.19 102.15 1r3r n GLY 105 Ca 0.00 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1r3r n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r3r s PRO 106 N -0.65 3.93 -0.03 1.61 0.04 -1.26 -1.20 135.00 137.44 1r3r s PRO 106 Ca 0.00 1.94 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 1r3r s PRO 106 Cb 0.00 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.91 1r3r s PRO 106 CO 0.00 -0.46 0.10 0.45 0.04 0.00 0.00 177.00 177.13 1r3r s SER 107 N -1.05 -0.07 -0.40 6.66 0.15 0.13 -4.53 113.70 114.60 1r3r s SER 107 Ca 0.59 0.11 -0.07 0.00 0.70 0.00 0.00 55.95 57.28 1r3r s SER 107 Cb -0.33 0.20 0.08 0.00 -1.71 0.00 0.00 66.02 64.26 1r3r s SER 107 CO 0.41 -0.10 0.21 -0.36 1.20 0.00 0.00 173.24 174.60 1r3r s PHE 108 N -0.24 3.38 0.28 3.44 0.40 -0.28 -0.71 117.98 124.26 1r3r s PHE 108 Ca -0.03 -1.76 0.37 0.00 -0.60 0.00 0.00 56.93 54.91 1r3r s PHE 108 Cb -0.02 -2.88 1.79 0.00 0.51 0.00 0.00 43.02 42.41 1r3r s PHE 108 CO 0.00 -0.86 2.11 -1.00 0.70 0.00 0.00 175.22 176.17 1r3r h PRO 109 N 8.27 0.00 -2.83 0.24 0.13 -1.85 -3.26 132.00 132.71 1r3r h PRO 109 Ca -0.21 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.31 1r3r h PRO 109 Cb 1.07 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.79 1r3r h PRO 109 CO 0.71 0.00 -0.62 0.39 -0.23 0.00 0.00 178.00 178.25 1r3r n GLU 110 N -2.97 1.80 -1.38 0.86 4.71 -1.26 -5.10 120.64 117.29 1r3r n GLU 110 Ca -0.01 -4.38 -0.32 0.00 -0.01 0.00 0.00 57.16 52.44 1r3r n GLU 110 Cb 0.18 -2.20 0.08 0.00 -1.01 0.00 0.00 31.44 28.49 1r3r n GLU 110 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1r3r s PRO 111 N -1.52 2.34 -0.06 3.49 0.04 -1.23 -4.91 135.00 133.14 1r3r s PRO 111 Ca 0.29 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1r3r s PRO 111 Cb 0.01 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1r3r s PRO 111 CO -0.14 -1.60 1.41 -0.51 0.04 0.00 0.00 177.00 176.20 1r3r s LEU 112 N -5.62 4.28 0.00 -3.56 1.43 -0.17 -4.87 118.68 110.16 1r3r s LEU 112 Ca 0.64 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 1r3r s LEU 112 Cb -0.19 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1r3r s LEU 112 CO 0.51 -0.77 0.00 0.54 0.23 0.00 0.00 176.35 176.86 1r3r n ARG 113 N 6.12 1.96 -4.32 1.70 5.12 -1.26 -4.37 116.66 121.61 1r3r n ARG 113 Ca 0.14 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.89 1r3r n ARG 113 Cb 0.44 -0.84 -0.10 0.00 -1.16 0.00 0.00 32.46 30.79 1r3r n ARG 113 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1r3r s GLU 114 N -1.41 1.40 0.34 5.56 -1.05 -1.26 -5.04 118.70 117.24 1r3r s GLU 114 Ca 0.00 -1.75 0.01 0.00 -0.15 0.00 0.00 54.97 53.08 1r3r s GLU 114 Cb 0.00 -0.34 0.58 0.00 -0.44 0.00 0.00 34.13 33.93 1r3r s GLU 114 CO 0.00 -0.26 2.00 1.49 0.95 0.00 0.00 175.26 179.44 1r3r h GLU 115 N 2.39 0.90 0.00 -4.83 4.81 -1.99 -1.38 114.58 114.48 1r3r h GLU 115 Ca -0.38 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1r3r h GLU 115 Cb 1.24 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 1r3r h GLU 115 CO 0.62 0.60 -0.07 0.37 -0.73 0.00 0.00 179.01 179.80 1r3r h GLN 116 N 0.93 0.00 0.00 1.92 4.15 -2.03 -1.91 115.11 118.17 1r3r h GLN 116 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1r3r h GLN 116 Cb -0.10 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 1r3r h GLN 116 CO -0.06 0.07 -0.06 -0.44 -1.93 0.00 0.00 178.83 176.41 1r3r h ASP 117 N 0.00 0.00 -0.02 -0.69 3.32 -1.66 -1.59 116.42 115.78 1r3r h ASP 117 Ca -0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1r3r h ASP 117 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1r3r h ASP 117 CO 0.01 0.06 0.04 -0.07 -1.72 0.00 0.00 179.24 177.55 1r3r h LEU 118 N 0.00 0.00 -2.48 1.55 3.38 -1.49 -2.20 115.31 114.07 1r3r h LEU 118 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r3r h LEU 118 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1r3r h LEU 118 CO 0.01 0.00 -0.01 -0.33 0.09 0.00 0.00 178.44 178.20 1r3r h GLU 119 N 0.00 0.00 0.00 1.13 5.08 -1.49 -2.37 114.58 116.93 1r3r h GLU 119 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1r3r h GLU 119 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1r3r h GLU 119 CO -0.00 0.01 -0.04 0.07 -1.00 0.00 0.00 179.01 178.05 1r3r h ARG 120 N 0.00 0.00 -6.99 2.33 0.11 -1.60 -3.46 114.38 104.76 1r3r h ARG 120 Ca -0.00 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.59 1r3r h ARG 120 Cb 0.16 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.27 1r3r h ARG 120 CO 0.00 0.04 0.42 -0.51 0.10 0.00 0.00 179.97 180.02 1r3r s LEU 121 N -6.24 4.05 0.78 0.08 1.43 -0.89 -4.83 118.68 113.05 1r3r s LEU 121 Ca 0.05 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.10 1r3r s LEU 121 Cb 0.06 -4.28 0.07 0.00 0.03 0.00 0.00 46.19 42.07 1r3r s LEU 121 CO 0.64 -0.66 1.15 -0.13 0.23 0.00 0.00 176.35 177.59 1r3r s ARG 122 N -2.70 1.93 0.23 1.70 0.52 0.90 -4.96 118.95 116.57 1r3r s ARG 122 Ca 0.61 1.53 -0.31 0.00 -0.52 0.00 0.00 55.73 57.04 1r3r s ARG 122 Cb -0.22 -1.83 -0.12 0.00 0.52 0.00 0.00 34.95 33.30 1r3r s ARG 122 CO 0.28 -1.95 1.70 -3.47 0.02 0.00 0.00 175.30 171.87 1r3r n ASP 123 N -3.27 4.00 0.25 0.23 -0.08 -1.26 -4.87 116.55 111.55 1r3r n ASP 123 Ca 0.12 1.08 0.10 0.00 -1.51 0.00 0.00 54.79 54.58 1r3r n ASP 123 Cb 0.52 -1.58 0.69 0.00 2.34 0.00 0.00 41.12 43.08 1r3r n ASP 123 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1r3r h PRO 124 N 6.28 0.00 0.00 -0.67 0.13 -1.89 -1.32 132.00 134.53 1r3r h PRO 124 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1r3r h PRO 124 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1r3r h PRO 124 CO 0.92 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.62 1r3r h GLU 125 N 0.00 0.00 -0.01 0.86 5.08 -1.90 -2.22 114.58 116.40 1r3r h GLU 125 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1r3r h GLU 125 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1r3r h GLU 125 CO -0.00 0.00 -0.58 1.33 -1.00 0.00 0.00 179.01 178.76 1r3r n VAL 126 N -2.42 0.00 -0.35 3.13 0.24 -0.50 -4.57 118.33 113.87 1r3r n VAL 126 Ca -0.01 -0.18 -0.03 0.00 -2.04 0.00 0.00 64.34 62.09 1r3r n VAL 126 Cb 0.10 1.08 0.10 0.00 -1.47 0.00 0.00 33.84 33.64 1r3r n VAL 126 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1r3r h VAL 127 N 1.65 1.25 -0.84 3.34 2.07 -1.50 -2.47 116.25 119.76 1r3r h VAL 127 Ca 0.00 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1r3r h VAL 127 Cb 0.66 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1r3r h VAL 127 CO 0.00 0.26 0.55 0.00 0.02 0.00 0.00 177.57 178.40 1r3r h ALA 128 N 1.32 1.55 0.00 1.67 0.00 -1.80 -0.80 119.26 121.20 1r3r h ALA 128 Ca 0.34 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1r3r h ALA 128 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1r3r h ALA 128 CO -0.07 0.33 -0.31 0.66 0.00 0.00 0.00 179.25 179.87 1r3r h SER 129 N 0.96 0.00 1.31 0.00 4.64 -1.76 -1.84 113.55 116.87 1r3r h SER 129 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1r3r h SER 129 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1r3r h SER 129 CO -0.12 0.31 0.00 -0.62 -0.87 0.00 0.00 176.83 175.53 1r3r n GLU 130 N -3.93 0.23 -0.55 4.77 -0.58 -0.34 -3.73 120.64 116.51 1r3r n GLU 130 Ca -0.02 0.22 0.07 0.00 -0.42 0.00 0.00 57.16 57.02 1r3r n GLU 130 Cb 0.38 -1.78 0.28 0.00 -0.57 0.00 0.00 31.44 29.75 1r3r n GLU 130 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1r3r n LEU 131 N -2.18 4.27 -0.34 -4.62 4.77 -0.70 -4.65 117.00 113.57 1r3r n LEU 131 Ca 0.05 -3.05 0.21 0.00 -0.03 0.00 0.00 56.01 53.20 1r3r n LEU 131 Cb 0.39 -0.58 0.44 0.00 -2.33 0.00 0.00 43.42 41.34 1r3r n LEU 131 CO 0.28 0.70 1.12 1.23 -1.33 0.00 0.00 177.39 179.39 1r3r h GLY 132 N 2.15 1.99 1.66 -0.72 0.00 -1.63 -0.35 103.07 106.16 1r3r h GLY 132 Ca 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1r3r h GLY 132 CO 0.29 -0.41 0.19 0.10 0.00 0.00 0.00 176.54 176.71 1r3r h TYR 133 N 0.40 0.44 -0.37 5.60 -0.00 -1.91 0.48 116.97 121.61 1r3r h TYR 133 Ca 0.70 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 59.28 1r3r h TYR 133 Cb 1.51 -0.15 -0.01 0.00 0.00 0.00 0.00 36.73 38.09 1r3r h TYR 133 CO -0.02 0.31 -0.37 0.28 -0.00 0.00 0.00 178.16 178.36 1r3r h VAL 134 N 0.47 1.28 -0.31 -0.90 2.07 -1.35 -2.51 116.25 114.99 1r3r h VAL 134 Ca 0.12 -1.55 -0.11 0.00 0.82 0.00 0.00 66.70 65.99 1r3r h VAL 134 Cb 0.01 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1r3r h VAL 134 CO -0.02 0.51 -0.26 -0.26 0.02 0.00 0.00 177.57 177.56 1r3r h PHE 135 N 0.73 0.69 -0.37 1.57 0.05 -1.20 -0.85 116.94 117.57 1r3r h PHE 135 Ca 0.06 -0.16 -0.11 0.00 3.82 0.00 0.00 57.97 61.59 1r3r h PHE 135 Cb 0.95 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 38.72 1r3r h PHE 135 CO 0.06 0.81 -0.21 1.96 -0.18 0.00 0.00 178.31 180.75 1r3r h GLN 136 N 0.53 0.72 -0.64 1.51 4.20 -0.88 -1.18 115.11 119.37 1r3r h GLN 136 Ca 0.07 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 1r3r h GLN 136 Cb 0.73 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 1r3r h GLN 136 CO 0.06 0.87 0.20 0.00 -0.67 0.00 0.00 178.83 179.29 1r3r h ALA 137 N 1.14 0.84 -0.03 3.87 0.00 -1.04 -1.52 119.26 122.51 1r3r h ALA 137 Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1r3r h ALA 137 Cb 0.70 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1r3r h ALA 137 CO 0.05 0.51 0.01 0.82 0.00 0.00 0.00 179.25 180.65 1r3r h ILE 138 N 0.92 1.13 -0.27 0.00 2.04 -0.73 -1.16 117.51 119.44 1r3r h ILE 138 Ca 0.21 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1r3r h ILE 138 Cb 0.30 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1r3r h ILE 138 CO -0.01 0.10 0.15 0.74 0.00 0.00 0.00 178.15 179.14 1r3r h THR 139 N -0.10 1.12 -0.43 -0.27 2.02 -1.09 -0.61 112.91 113.54 1r3r h THR 139 Ca 0.01 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1r3r h THR 139 Cb 0.16 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1r3r h THR 139 CO -0.00 0.12 0.27 0.25 0.37 0.00 0.00 175.52 176.52 1r3r h LEU 140 N 0.33 0.51 -0.61 2.58 5.85 -1.27 -0.96 115.31 121.74 1r3r h LEU 140 Ca 0.10 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1r3r h LEU 140 Cb 0.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1r3r h LEU 140 CO -0.02 0.39 0.02 0.74 -0.34 0.00 0.00 178.44 179.24 1r3r h THR 141 N 0.57 1.27 -0.76 1.05 2.02 -1.01 0.10 112.91 116.14 1r3r h THR 141 Ca 0.16 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 1r3r h THR 141 Cb -0.03 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1r3r h THR 141 CO -0.03 0.41 0.29 -0.09 0.37 0.00 0.00 175.52 176.47 1r3r h ARG 142 N 0.96 1.15 -0.02 6.66 9.65 -0.82 0.10 114.38 132.06 1r3r h ARG 142 Ca 0.17 -0.22 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1r3r h ARG 142 Cb 0.54 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1r3r h ARG 142 CO 0.03 0.94 0.01 1.96 2.80 0.00 0.00 179.97 185.71 1r3r h GLN 143 N 1.11 0.03 -0.06 0.20 4.20 -0.83 -3.16 115.11 116.60 1r3r h GLN 143 Ca 0.25 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.83 1r3r h GLN 143 Cb 0.24 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1r3r h GLN 143 CO -0.02 0.14 -0.54 0.00 -0.67 0.00 0.00 178.83 177.74 1r3r h ARG 144 N -0.10 0.16 0.00 1.46 2.47 -0.65 -1.57 114.38 116.16 1r3r h ARG 144 Ca 0.01 -0.10 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 1r3r h ARG 144 Cb 0.12 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1r3r h ARG 144 CO -0.00 0.67 -0.18 -0.07 0.56 0.00 0.00 179.97 180.95 1r3r h LEU 145 N 0.13 0.00 1.00 3.04 3.38 -1.04 -3.46 115.31 118.36 1r3r h LEU 145 Ca -0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1r3r h LEU 145 Cb 1.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.80 1r3r h LEU 145 CO 0.08 0.18 -0.61 0.00 0.09 0.00 0.00 178.44 178.18 1r3r n ALA 146 N -2.32 -0.98 -0.95 1.53 0.00 -0.59 -1.71 120.51 115.49 1r3r n ALA 146 Ca -0.02 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1r3r n ALA 146 Cb 0.29 -3.83 0.00 0.00 0.00 0.00 0.00 19.45 15.91 1r3r n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3r n GLY 147 N -1.50 0.58 0.26 0.00 0.00 -1.26 -4.82 105.19 98.44 1r3r n GLY 147 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1r3r n GLY 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1r3r h ARG 148 N 1.39 -0.51 -4.05 1.61 2.43 -1.63 0.49 114.38 114.09 1r3r h ARG 148 Ca 0.00 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1r3r h ARG 148 Cb 0.00 0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 29.53 1r3r h ARG 148 CO 0.00 -0.34 -0.41 0.14 -1.51 0.00 0.00 179.97 177.84 1r3r s VAL 149 N -6.09 0.07 0.66 0.20 -7.23 -1.26 -2.63 120.40 104.12 1r3r s VAL 149 Ca -0.16 -1.55 -0.16 0.00 -1.81 0.00 0.00 61.98 58.30 1r3r s VAL 149 Cb 0.06 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1r3r s VAL 149 CO 0.64 -0.32 1.15 -2.84 -0.31 0.00 0.00 175.10 173.41 1r3r s PRO 150 N -4.00 2.68 -0.20 4.82 0.02 -1.26 -4.77 135.00 132.30 1r3r s PRO 150 Ca 0.20 1.55 -0.04 0.00 0.02 0.00 0.00 61.00 62.73 1r3r s PRO 150 Cb 0.04 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.63 1r3r s PRO 150 CO 0.01 -1.37 -0.03 -1.17 -0.33 0.00 0.00 177.00 174.11 1r3r s LEU 151 N -4.77 3.03 -0.19 -5.54 2.96 -1.26 -1.46 118.68 111.44 1r3r s LEU 151 Ca 0.70 -0.31 -0.16 0.00 -0.22 0.00 0.00 54.13 54.15 1r3r s LEU 151 Cb -0.24 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1r3r s LEU 151 CO 0.40 0.03 0.40 -0.63 -1.32 0.00 0.00 176.35 175.24 1r3r s ILE 152 N 1.17 5.20 0.53 6.68 1.01 -0.03 -0.01 121.20 135.75 1r3r s ILE 152 Ca 0.02 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.43 1r3r s ILE 152 Cb -0.14 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.63 1r3r s ILE 152 CO -0.00 0.26 0.74 -0.83 0.00 0.00 0.00 174.94 175.11 1r3r s GLY 153 N 0.98 1.85 0.12 6.18 0.00 -0.05 -1.62 107.32 114.78 1r3r s GLY 153 Ca 0.20 -1.46 -0.25 0.00 0.00 0.00 0.00 44.72 43.20 1r3r s GLY 153 CO 0.08 -1.18 0.82 -0.11 0.00 0.00 0.00 173.10 172.70 1r3r s PHE 154 N -2.68 -0.30 0.19 1.90 -0.12 -1.26 -1.32 117.98 114.39 1r3r s PHE 154 Ca 0.57 0.05 -0.19 0.00 -0.05 0.00 0.00 56.93 57.32 1r3r s PHE 154 Cb -0.10 0.60 0.03 0.00 -0.63 0.00 0.00 43.02 42.93 1r3r s PHE 154 CO 0.37 -0.80 0.54 0.00 -0.05 0.00 0.00 175.22 175.28 1r3r s ALA 155 N -3.43 -1.06 0.45 1.99 0.00 -0.94 -4.96 121.76 113.80 1r3r s ALA 155 Ca 0.07 -0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.72 1r3r s ALA 155 Cb -0.02 0.85 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 1r3r s ALA 155 CO -0.04 -0.80 1.04 0.20 0.00 0.00 0.00 175.76 176.16 1r3r s GLY 156 N -2.85 2.60 0.59 0.00 0.00 -1.26 -1.04 107.32 105.36 1r3r s GLY 156 Ca 0.07 0.65 -0.14 0.00 0.00 0.00 0.00 44.72 45.30 1r3r s GLY 156 CO -0.05 1.01 1.03 0.00 0.00 0.00 0.00 173.10 175.09 1r3r s ALA 157 N -1.85 2.89 0.14 3.20 0.00 -0.40 -4.78 121.76 120.95 1r3r s ALA 157 Ca 0.63 0.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 1r3r s ALA 157 Cb -0.19 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1r3r s ALA 157 CO 0.23 -0.69 1.64 -1.35 0.00 0.00 0.00 175.76 175.58 1r3r h PRO 158 N 0.24 -0.24 -0.24 0.00 0.11 -1.92 -0.55 132.00 129.41 1r3r h PRO 158 Ca -0.46 0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.68 1r3r h PRO 158 Cb 1.20 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1r3r h PRO 158 CO 0.59 -0.16 0.13 2.35 -0.21 0.00 0.00 178.00 180.70 1r3r h TRP 159 N -0.25 0.24 -0.74 0.65 2.91 -1.89 -0.15 115.95 116.72 1r3r h TRP 159 Ca 0.12 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.16 1r3r h TRP 159 Cb 0.43 -0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.97 1r3r h TRP 159 CO -0.35 0.14 0.49 1.15 -1.03 0.00 0.00 178.44 178.83 1r3r h THR 160 N 0.27 1.17 -0.78 2.65 2.02 -1.79 -0.17 112.91 116.28 1r3r h THR 160 Ca 0.09 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 1r3r h THR 160 Cb 0.01 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1r3r h THR 160 CO -0.06 0.18 0.27 -0.07 0.37 0.00 0.00 175.52 176.22 1r3r h LEU 161 N 0.98 1.10 -0.87 2.58 3.38 -0.74 -1.62 115.31 120.13 1r3r h LEU 161 Ca 0.28 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1r3r h LEU 161 Cb -0.09 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.31 1r3r h LEU 161 CO -0.07 1.00 0.54 -0.03 0.09 0.00 0.00 178.44 179.97 1r3r h MET 162 N 1.14 0.93 -0.84 1.13 4.05 -0.25 -1.71 114.93 119.39 1r3r h MET 162 Ca 0.25 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 1r3r h MET 162 Cb 0.27 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 1r3r h MET 162 CO -0.01 0.62 0.45 1.79 0.23 0.00 0.00 176.91 179.98 1r3r h THR 163 N 0.96 1.25 -0.47 -0.77 1.35 -0.07 -0.96 112.91 114.20 1r3r h THR 163 Ca 0.39 -0.64 -0.09 0.00 -0.55 0.00 0.00 66.41 65.52 1r3r h THR 163 Cb 0.22 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.75 1r3r h THR 163 CO -0.19 0.28 -0.08 1.88 -0.25 0.00 0.00 175.52 177.16 1r3r h TYR 164 N 1.18 0.92 -0.07 4.73 -1.99 -1.18 0.46 116.97 121.02 1r3r h TYR 164 Ca 0.29 -0.16 -0.13 0.00 2.00 0.00 0.00 58.73 60.73 1r3r h TYR 164 Cb 0.05 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.52 1r3r h TYR 164 CO 0.01 0.88 -0.54 0.52 -0.00 0.00 0.00 178.16 179.03 1r3r h MET 165 N 0.77 0.20 0.06 4.88 2.86 -0.53 0.39 114.93 123.55 1r3r h MET 165 Ca 0.13 -0.12 -0.30 0.00 -2.06 0.00 0.00 59.70 57.35 1r3r h MET 165 Cb 0.58 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1r3r h MET 165 CO 0.04 0.69 -1.64 0.28 1.06 0.00 0.00 176.91 177.34 1r3r n VAL 166 N -3.91 1.66 0.10 -2.22 0.31 -0.44 -1.00 118.33 112.82 1r3r n VAL 166 Ca -0.02 -0.34 -0.05 0.00 -0.01 0.00 0.00 64.34 63.93 1r3r n VAL 166 Cb 0.57 -1.89 0.09 0.00 -0.91 0.00 0.00 33.84 31.70 1r3r n VAL 166 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1r3r h GLU 167 N -0.49 0.12 0.00 5.55 4.39 -0.97 -3.41 114.58 119.78 1r3r h GLU 167 Ca -0.39 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1r3r h GLU 167 Cb 1.66 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1r3r h GLU 167 CO -0.07 0.77 0.00 0.41 -1.16 0.00 0.00 179.01 178.96 1r3r n GLY 168 N 0.49 0.74 0.00 -3.84 0.00 0.12 -4.91 105.19 97.79 1r3r n GLY 168 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1r3r n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r3r n GLY 169 N -2.48 -0.65 3.80 -0.02 0.00 -1.21 -1.12 105.19 103.51 1r3r n GLY 169 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1r3r n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r3r s GLY 170 N 0.00 1.64 -0.10 -0.02 0.00 -1.26 -4.52 107.32 103.06 1r3r s GLY 170 Ca 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.42 1r3r s GLY 170 CO 0.00 0.33 0.59 -0.45 0.00 0.00 0.00 173.10 173.57 1r3r s SER 171 N -3.79 -0.57 0.14 1.64 0.15 -1.26 -5.02 113.70 104.99 1r3r s SER 171 Ca 0.60 0.78 0.26 0.00 0.70 0.00 0.00 55.95 58.30 1r3r s SER 171 Cb -0.15 0.74 0.83 0.00 -1.71 0.00 0.00 66.02 65.74 1r3r s SER 171 CO 0.55 -0.45 1.73 -1.54 1.20 0.00 0.00 173.24 174.73 1r3r n SER 172 N 1.59 0.59 0.00 5.45 3.41 -1.26 -4.31 113.62 119.09 1r3r n SER 172 Ca -0.18 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1r3r n SER 172 Cb 0.56 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1r3r n SER 172 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1r3r n THR 173 N -2.02 0.00 -3.57 6.66 -2.24 -1.26 -5.01 114.28 106.83 1r3r n THR 173 Ca 0.06 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.57 1r3r n THR 173 Cb 0.41 0.32 0.02 0.00 -2.10 0.00 0.00 70.33 68.98 1r3r n THR 173 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1r3r n MET 174 N -1.07 -4.89 0.10 -0.78 0.00 -1.26 -4.86 117.12 104.37 1r3r n MET 174 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 57.70 58.32 1r3r n MET 174 Cb 0.01 -5.47 0.24 0.00 0.00 0.00 0.00 33.22 28.00 1r3r n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1r3r h ALA 175 N 0.98 1.15 0.12 3.04 0.00 -1.96 -0.38 119.26 122.21 1r3r h ALA 175 Ca -0.53 -0.40 -0.29 0.00 0.00 0.00 0.00 54.91 53.69 1r3r h ALA 175 Cb 1.35 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1r3r h ALA 175 CO 0.61 0.57 -1.23 1.96 0.00 0.00 0.00 179.25 181.16 1r3r h GLN 176 N 0.18 0.56 -0.42 0.00 4.20 -1.95 -1.67 115.11 116.02 1r3r h GLN 176 Ca 0.02 -0.76 -0.14 0.00 0.06 0.00 0.00 58.65 57.83 1r3r h GLN 176 Cb 0.79 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1r3r h GLN 176 CO 0.06 1.34 -0.29 0.00 -0.67 0.00 0.00 178.83 179.27 1r3r h ALA 177 N 0.36 0.70 -0.08 3.87 0.00 -1.87 -2.42 119.26 119.83 1r3r h ALA 177 Ca -0.18 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 1r3r h ALA 177 Cb 1.90 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1r3r h ALA 177 CO 0.23 0.67 -0.49 0.87 0.00 0.00 0.00 179.25 180.52 1r3r h LYS 178 N 0.77 0.20 -0.85 0.00 1.57 -1.12 -2.51 116.57 114.63 1r3r h LYS 178 Ca 0.09 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1r3r h LYS 178 Cb 0.85 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 1r3r h LYS 178 CO 0.08 0.65 0.51 -0.09 -0.57 0.00 0.00 179.45 180.03 1r3r h ARG 179 N 0.16 1.15 -0.68 3.15 2.43 -1.22 -1.80 114.38 117.58 1r3r h ARG 179 Ca 0.01 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1r3r h ARG 179 Cb 0.93 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 1r3r h ARG 179 CO 0.07 0.81 0.37 -1.49 -1.51 0.00 0.00 179.97 178.22 1r3r h TRP 180 N 1.16 0.67 -0.97 2.20 4.06 -1.04 0.18 115.95 122.21 1r3r h TRP 180 Ca 0.30 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.33 1r3r h TRP 180 Cb -0.04 -0.20 -0.06 0.00 -1.00 0.00 0.00 29.16 27.86 1r3r h TRP 180 CO -0.00 0.30 0.63 -0.07 -3.56 0.00 0.00 178.44 175.74 1r3r h LEU 181 N 0.67 1.03 0.13 -4.49 3.38 -0.94 0.30 115.31 115.39 1r3r h LEU 181 Ca 0.31 -0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.96 1r3r h LEU 181 Cb 0.23 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1r3r h LEU 181 CO -0.20 0.69 -1.65 1.88 0.09 0.00 0.00 178.44 179.24 1r3r h TYR 182 N 1.18 0.51 0.00 1.13 -1.99 -0.98 -3.30 116.97 113.52 1r3r h TYR 182 Ca 0.40 -0.37 -0.20 0.00 2.00 0.00 0.00 58.73 60.56 1r3r h TYR 182 Cb 0.07 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 1r3r h TYR 182 CO -0.00 1.65 -1.58 1.04 -0.00 0.00 0.00 178.16 179.27 1r3r n GLN 183 N -3.75 0.63 -2.82 4.88 6.02 0.58 -4.57 117.38 118.35 1r3r n GLN 183 Ca -0.27 0.19 -0.19 0.00 -0.01 0.00 0.00 57.00 56.72 1r3r n GLN 183 Cb 0.98 -1.77 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 1r3r n GLN 183 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1r3r n ARG 184 N -2.87 2.00 -0.37 -1.09 1.74 0.11 -4.95 116.66 111.22 1r3r n ARG 184 Ca -0.13 -3.88 0.01 0.00 -0.77 0.00 0.00 57.85 53.09 1r3r n ARG 184 Cb 0.89 -1.78 0.15 0.00 -1.02 0.00 0.00 32.46 30.70 1r3r n ARG 184 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1r3r h PRO 185 N 2.90 1.21 -0.24 5.56 0.13 -1.61 -0.39 132.00 139.56 1r3r h PRO 185 Ca 0.09 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.10 1r3r h PRO 185 Cb 0.93 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1r3r h PRO 185 CO 0.64 0.80 -0.04 1.96 -0.23 0.00 0.00 178.00 181.13 1r3r h GLN 186 N 1.25 0.44 -0.17 0.86 4.20 -1.91 0.00 115.11 119.79 1r3r h GLN 186 Ca 0.41 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.90 1r3r h GLN 186 Cb 0.05 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1r3r h GLN 186 CO -0.14 0.66 -0.17 0.00 -0.67 0.00 0.00 178.83 178.50 1r3r h ALA 187 N 0.77 1.40 0.03 3.87 0.00 -1.85 -0.58 119.26 122.91 1r3r h ALA 187 Ca 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1r3r h ALA 187 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1r3r h ALA 187 CO 0.02 0.41 -0.02 0.77 0.00 0.00 0.00 179.25 180.44 1r3r h SER 188 N 0.26 -0.04 -0.97 0.00 0.02 -0.83 -0.80 113.55 111.18 1r3r h SER 188 Ca 0.05 -0.17 0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1r3r h SER 188 Cb 0.46 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 1r3r h SER 188 CO 0.03 0.15 0.63 0.45 -1.14 0.00 0.00 176.83 176.95 1r3r h HIS 189 N -0.23 1.13 -0.06 3.45 -0.00 -0.55 -0.70 115.15 118.19 1r3r h HIS 189 Ca -0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1r3r h HIS 189 Cb 0.21 -0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1r3r h HIS 189 CO -0.01 0.54 0.03 0.37 -0.00 0.00 0.00 177.93 178.85 1r3r h GLN 190 N 1.06 0.09 -0.27 2.45 4.15 -0.88 -0.18 115.11 121.54 1r3r h GLN 190 Ca 0.44 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.90 1r3r h GLN 190 Cb 0.30 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.92 1r3r h GLN 190 CO -0.19 0.20 -0.09 1.25 -1.93 0.00 0.00 178.83 178.07 1r3r h LEU 191 N -0.04 -0.31 -1.41 -2.39 5.85 -0.81 -0.35 115.31 115.85 1r3r h LEU 191 Ca 0.02 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1r3r h LEU 191 Cb 0.14 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1r3r h LEU 191 CO -0.00 -0.11 0.06 -0.07 -0.34 0.00 0.00 178.44 177.97 1r3r h LEU 192 N -0.03 0.41 -0.25 2.25 3.38 -0.95 0.11 115.31 120.24 1r3r h LEU 192 Ca 0.14 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1r3r h LEU 192 Cb 0.23 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1r3r h LEU 192 CO -0.30 0.44 -0.43 -0.09 0.09 0.00 0.00 178.44 178.15 1r3r h ARG 193 N 0.45 0.73 -0.41 1.13 9.65 -0.81 -1.25 114.38 123.87 1r3r h ARG 193 Ca 0.10 -0.45 0.07 0.00 -1.10 0.00 0.00 59.98 58.60 1r3r h ARG 193 Cb 0.20 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.77 1r3r h ARG 193 CO -0.00 1.07 0.04 0.82 2.80 0.00 0.00 179.97 184.70 1r3r h ILE 194 N 0.45 0.74 -0.48 1.20 2.04 -0.28 -0.50 117.51 120.68 1r3r h ILE 194 Ca 0.02 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1r3r h ILE 194 Cb 1.03 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1r3r h ILE 194 CO 0.10 0.03 0.30 -0.07 0.00 0.00 0.00 178.15 178.51 1r3r h LEU 195 N 0.16 0.57 -0.54 1.44 3.38 -0.67 -0.96 115.31 118.68 1r3r h LEU 195 Ca 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1r3r h LEU 195 Cb 0.26 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1r3r h LEU 195 CO -0.29 0.44 0.31 0.74 0.09 0.00 0.00 178.44 179.73 1r3r h THR 196 N 0.65 1.17 0.00 0.22 2.02 -0.80 0.21 112.91 116.38 1r3r h THR 196 Ca 0.17 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1r3r h THR 196 Cb -0.03 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1r3r h THR 196 CO -0.03 0.18 -0.05 0.44 0.37 0.00 0.00 175.52 176.42 1r3r h ASP 197 N 0.72 0.00 0.27 4.18 3.32 -0.74 -1.69 116.42 122.49 1r3r h ASP 197 Ca 0.19 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.90 1r3r h ASP 197 Cb 0.01 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.59 1r3r h ASP 197 CO -0.03 0.05 -1.57 0.00 -1.72 0.00 0.00 179.24 175.97 1r3r h ALA 198 N 1.95 -0.01 -0.35 3.45 0.00 -0.63 -3.39 119.26 120.28 1r3r h ALA 198 Ca -0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 54.91 53.82 1r3r h ALA 198 Cb 0.59 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1r3r h ALA 198 CO 0.01 0.85 -0.25 -0.07 0.00 0.00 0.00 179.25 179.79 1r3r h LEU 199 N 0.13 0.70 0.78 0.00 3.38 -0.02 -2.80 115.31 117.48 1r3r h LEU 199 Ca -0.28 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1r3r h LEU 199 Cb 2.13 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 42.69 1r3r h LEU 199 CO 0.23 0.93 -0.37 0.58 0.09 0.00 0.00 178.44 179.90 1r3r h VAL 200 N 0.60 0.17 -0.10 1.22 2.07 -1.52 0.84 116.25 119.53 1r3r h VAL 200 Ca 0.08 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1r3r h VAL 200 Cb 0.74 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1r3r h VAL 200 CO 0.06 0.01 -0.00 1.55 0.02 0.00 0.00 177.57 179.20 1r3r h PRO 201 N -1.14 0.14 0.14 1.57 0.13 -1.76 -0.87 132.00 130.22 1r3r h PRO 201 Ca -0.11 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1r3r h PRO 201 Cb 0.82 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1r3r h PRO 201 CO 0.18 0.16 -0.06 -0.92 -0.23 0.00 0.00 178.00 177.12 1r3r h TYR 202 N 0.14 -0.17 -0.62 1.56 3.20 -1.26 -0.03 116.97 119.79 1r3r h TYR 202 Ca 0.04 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1r3r h TYR 202 Cb 0.11 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1r3r h TYR 202 CO 0.00 0.14 0.40 -0.07 -1.64 0.00 0.00 178.16 176.99 1r3r h LEU 203 N -0.48 0.68 -0.40 2.82 3.38 -0.54 -1.16 115.31 119.62 1r3r h LEU 203 Ca -0.02 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1r3r h LEU 203 Cb 0.38 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1r3r h LEU 203 CO 0.03 0.49 0.20 0.58 0.09 0.00 0.00 178.44 179.83 1r3r h VAL 204 N 0.81 0.98 -0.20 1.22 2.07 -1.15 -2.22 116.25 117.76 1r3r h VAL 204 Ca 0.24 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1r3r h VAL 204 Cb -0.05 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1r3r h VAL 204 CO -0.07 0.07 -0.03 1.23 0.02 0.00 0.00 177.57 178.80 1r3r h GLY 205 N 0.40 0.32 1.04 2.17 0.00 -0.46 0.02 103.07 106.56 1r3r h GLY 205 Ca 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1r3r h GLY 205 CO -0.12 0.16 0.35 1.46 0.00 0.00 0.00 176.54 178.39 1r3r h GLN 206 N 0.29 1.16 -0.10 4.80 4.20 -0.68 -0.39 115.11 124.39 1r3r h GLN 206 Ca 0.07 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1r3r h GLN 206 Cb 0.24 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1r3r h GLN 206 CO 0.01 0.92 -0.11 0.28 -0.67 0.00 0.00 178.83 179.26 1r3r h VAL 207 N 1.13 1.36 -1.00 -0.54 2.07 -0.74 -0.25 116.25 118.29 1r3r h VAL 207 Ca 0.27 -1.27 0.21 0.00 0.82 0.00 0.00 66.70 66.72 1r3r h VAL 207 Cb 0.17 1.98 -0.11 0.00 -1.52 0.00 0.00 31.29 31.80 1r3r h VAL 207 CO -0.03 0.36 0.60 0.58 0.02 0.00 0.00 177.57 179.11 1r3r h VAL 208 N -0.16 0.64 0.00 2.57 2.07 -0.90 -0.03 116.25 120.44 1r3r h VAL 208 Ca 0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1r3r h VAL 208 Cb 0.63 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1r3r h VAL 208 CO 0.03 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.74 1r3r n ALA 209 N -2.32 2.15 0.00 1.67 0.00 -0.17 -4.88 120.51 116.96 1r3r n ALA 209 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1r3r n ALA 209 Cb 0.63 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1r3r n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3r n GLY 210 N 1.09 0.73 3.75 0.00 0.00 -0.03 -2.89 105.19 107.84 1r3r n GLY 210 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1r3r n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3r s ALA 211 N -0.93 3.71 -2.14 4.61 0.00 -0.14 -4.83 121.76 122.04 1r3r s ALA 211 Ca 0.00 1.47 0.20 0.00 0.00 0.00 0.00 51.96 53.62 1r3r s ALA 211 Cb 0.00 -3.61 0.08 0.00 0.00 0.00 0.00 23.12 19.59 1r3r s ALA 211 CO 0.00 -0.88 1.05 1.04 0.00 0.00 0.00 175.76 176.97 1r3r n GLN 212 N 2.38 1.64 -3.69 0.00 6.02 0.98 -4.50 117.38 120.21 1r3r n GLN 212 Ca 0.08 -1.31 -0.09 0.00 -0.01 0.00 0.00 57.00 55.67 1r3r n GLN 212 Cb 0.38 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 1r3r n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r3r s ALA 213 N -1.91 -1.38 -0.01 -1.58 0.00 -1.20 -4.26 121.76 111.42 1r3r s ALA 213 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1r3r s ALA 213 Cb 0.16 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.14 1r3r s ALA 213 CO 0.36 -0.94 -0.01 -0.51 0.00 0.00 0.00 175.76 174.67 1r3r s LEU 214 N -2.85 1.74 -0.12 0.00 1.43 -0.66 -0.88 118.68 117.34 1r3r s LEU 214 Ca 0.07 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1r3r s LEU 214 Cb -0.04 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 46.07 1r3r s LEU 214 CO -0.01 -0.02 -0.22 -1.58 0.23 0.00 0.00 176.35 174.76 1r3r s GLN 215 N 0.29 3.09 -0.30 1.70 0.74 -0.43 -0.32 119.66 124.43 1r3r s GLN 215 Ca -0.03 -0.84 -0.11 0.00 0.05 0.00 0.00 55.36 54.43 1r3r s GLN 215 Cb -0.05 -2.39 -0.04 0.00 1.10 0.00 0.00 33.01 31.64 1r3r s GLN 215 CO -0.01 0.13 0.20 -1.17 -0.55 0.00 0.00 175.29 173.89 1r3r s LEU 216 N 0.48 4.13 -0.58 3.68 2.96 0.77 -2.21 118.68 127.91 1r3r s LEU 216 Ca -0.15 -0.15 -0.21 0.00 -0.22 0.00 0.00 54.13 53.40 1r3r s LEU 216 Cb -0.17 -2.11 0.07 0.00 0.50 0.00 0.00 46.19 44.48 1r3r s LEU 216 CO 0.06 -0.11 0.78 -0.36 -1.32 0.00 0.00 176.35 175.40 1r3r s PHE 217 N 1.74 2.90 -1.16 5.38 0.40 -0.20 -1.52 117.98 125.51 1r3r s PHE 217 Ca 0.07 -0.61 -0.06 0.00 -0.60 0.00 0.00 56.93 55.73 1r3r s PHE 217 Cb -0.16 -3.96 0.25 0.00 0.51 0.00 0.00 43.02 39.65 1r3r s PHE 217 CO 0.10 -1.33 1.65 -1.91 0.70 0.00 0.00 175.22 174.44 1r3r n GLU 218 N 6.81 4.15 0.25 0.44 4.07 0.05 -1.27 120.64 135.13 1r3r n GLU 218 Ca -0.06 -4.13 0.12 0.00 -0.06 0.00 0.00 57.16 53.03 1r3r n GLU 218 Cb 0.45 -2.68 0.61 0.00 -0.06 0.00 0.00 31.44 29.76 1r3r n GLU 218 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1r3r h SER 219 N 5.54 0.00 -0.49 4.31 0.02 -1.89 -1.79 113.55 119.25 1r3r h SER 219 Ca 0.28 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.02 1r3r h SER 219 Cb 0.61 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.02 1r3r h SER 219 CO 1.46 0.15 0.09 1.41 -1.14 0.00 0.00 176.83 178.80 1r3r n HIS 220 N -3.41 1.54 -0.18 3.45 8.25 -1.26 -4.46 115.22 119.14 1r3r n HIS 220 Ca -0.01 -1.50 0.02 0.00 -0.26 0.00 0.00 57.72 55.97 1r3r n HIS 220 Cb 0.33 -0.56 0.28 0.00 1.12 0.00 0.00 29.99 31.16 1r3r n HIS 220 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r3r h ALA 221 N 1.25 1.52 0.00 -1.41 0.00 -1.56 -3.18 119.26 115.89 1r3r h ALA 221 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1r3r h ALA 221 Cb 1.90 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1r3r h ALA 221 CO 0.52 0.43 0.00 0.78 0.00 0.00 0.00 179.25 180.99 1r3r h GLY 222 N 0.93 0.00 2.00 0.00 0.00 -1.61 -1.81 103.07 102.58 1r3r h GLY 222 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1r3r h GLY 222 CO -0.06 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.93 1r3r h HIS 223 N 0.00 0.00 0.00 5.60 3.86 -1.87 -3.38 115.15 119.36 1r3r h HIS 223 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1r3r h HIS 223 Cb 0.31 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1r3r h HIS 223 CO 0.00 0.00 -0.04 -0.07 0.86 0.00 0.00 177.93 178.68 1r3r h LEU 224 N 0.00 0.00 -0.06 2.43 3.38 -1.54 -3.50 115.31 116.02 1r3r h LEU 224 Ca 0.00 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1r3r h LEU 224 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1r3r h LEU 224 CO 0.00 0.68 -0.12 0.61 0.09 0.00 0.00 178.44 179.70 1r3r n GLY 225 N 1.72 -2.71 0.17 0.83 0.00 -1.26 -4.47 105.19 99.46 1r3r n GLY 225 Ca -0.04 -1.40 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1r3r n GLY 225 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r3r h PRO 226 N -0.12 0.36 -0.30 1.61 0.11 -1.96 -1.39 132.00 130.30 1r3r h PRO 226 Ca -0.02 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1r3r h PRO 226 Cb 0.13 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1r3r h PRO 226 CO 0.01 0.24 0.12 1.96 -0.21 0.00 0.00 178.00 180.11 1r3r h GLN 227 N 0.37 0.46 -0.26 1.05 4.20 -1.99 -0.55 115.11 118.38 1r3r h GLN 227 Ca 0.17 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 1r3r h GLN 227 Cb 0.09 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1r3r h GLN 227 CO -0.13 0.47 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.00 1r3r h LEU 228 N 0.34 0.69 -0.12 1.46 3.38 -1.73 -2.07 115.31 117.25 1r3r h LEU 228 Ca 0.10 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1r3r h LEU 228 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1r3r h LEU 228 CO -0.01 1.03 0.04 0.15 0.09 0.00 0.00 178.44 179.74 1r3r h PHE 229 N 0.52 0.20 -0.17 1.13 3.57 -1.04 0.94 116.94 122.09 1r3r h PHE 229 Ca 0.04 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1r3r h PHE 229 Cb 0.96 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1r3r h PHE 229 CO 0.04 0.32 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.53 1r3r h ASN 230 N 0.02 0.22 0.22 0.41 2.35 -1.04 0.14 115.58 117.89 1r3r h ASN 230 Ca 0.04 -0.02 -0.30 0.00 -0.55 0.00 0.00 56.30 55.47 1r3r h ASN 230 Cb 0.21 -0.06 0.03 0.00 0.05 0.00 0.00 38.32 38.56 1r3r h ASN 230 CO -0.00 0.27 -1.34 0.11 -1.65 0.00 0.00 177.43 174.82 1r3r h LYS 231 N 0.24 0.46 0.00 0.81 1.57 -0.94 -3.39 116.57 115.32 1r3r h LYS 231 Ca 0.06 -0.78 -0.03 0.00 -1.87 0.00 0.00 60.65 58.03 1r3r h LYS 231 Cb 0.18 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1r3r h LYS 231 CO 0.00 1.37 -1.27 1.19 -0.57 0.00 0.00 179.45 180.18 1r3r n PHE 232 N -3.82 0.00 -0.09 -1.35 3.01 0.29 -4.70 117.46 110.80 1r3r n PHE 232 Ca -0.17 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.11 1r3r n PHE 232 Cb 1.02 -0.16 -0.06 0.00 -0.01 0.00 0.00 39.48 40.27 1r3r n PHE 232 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r3r n ALA 233 N -1.85 1.76 -0.25 4.37 0.00 -0.18 -4.70 120.51 119.66 1r3r n ALA 233 Ca -0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 53.44 52.68 1r3r n ALA 233 Cb 0.31 0.24 0.11 0.00 0.00 0.00 0.00 19.45 20.10 1r3r n ALA 233 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r3r h LEU 234 N -0.67 0.60 -1.19 0.00 5.85 -1.03 -2.05 115.31 116.83 1r3r h LEU 234 Ca -0.40 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.37 1r3r h LEU 234 Cb 1.30 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1r3r h LEU 234 CO -0.24 0.39 0.55 -0.65 -0.34 0.00 0.00 178.44 178.15 1r3r h PRO 235 N 0.74 1.06 0.00 5.25 0.11 -1.82 -1.26 132.00 136.08 1r3r h PRO 235 Ca 0.31 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 66.17 1r3r h PRO 235 Cb 0.18 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 1r3r h PRO 235 CO -0.18 0.70 -0.86 1.88 -0.21 0.00 0.00 178.00 179.33 1r3r h TYR 236 N 1.09 0.18 -0.40 0.65 -1.99 -1.78 -0.20 116.97 114.52 1r3r h TYR 236 Ca 0.32 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 1r3r h TYR 236 Cb -0.05 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.65 1r3r h TYR 236 CO -0.00 0.92 0.21 0.82 -0.00 0.00 0.00 178.16 180.11 1r3r h ILE 237 N 0.06 1.16 -0.41 -2.88 2.04 -0.91 -0.74 117.51 115.84 1r3r h ILE 237 Ca -0.03 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 1r3r h ILE 237 Cb 1.49 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1r3r h ILE 237 CO 0.12 0.17 0.08 0.03 0.00 0.00 0.00 178.15 178.55 1r3r h ARG 238 N 0.51 0.67 -0.83 2.37 3.08 -1.08 -2.99 114.38 116.10 1r3r h ARG 238 Ca 0.14 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1r3r h ARG 238 Cb 0.07 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1r3r h ARG 238 CO -0.02 0.71 0.55 -0.44 -1.07 0.00 0.00 179.97 179.70 1r3r h ASP 239 N 0.53 0.96 0.04 7.04 3.45 -0.75 -2.08 116.42 125.60 1r3r h ASP 239 Ca 0.13 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.56 1r3r h ASP 239 Cb 0.35 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 1r3r h ASP 239 CO 0.01 0.69 -0.02 0.58 -1.57 0.00 0.00 179.24 178.93 1r3r h VAL 240 N 1.13 1.02 -0.12 -1.35 2.07 -1.02 -0.68 116.25 117.30 1r3r h VAL 240 Ca 0.31 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 1r3r h VAL 240 Cb -0.13 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1r3r h VAL 240 CO -0.07 0.04 0.07 0.00 0.02 0.00 0.00 177.57 177.64 1r3r h ALA 241 N 0.84 0.16 -0.06 1.67 0.00 -1.39 -0.96 119.26 119.51 1r3r h ALA 241 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1r3r h ALA 241 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1r3r h ALA 241 CO 0.01 -0.32 -0.06 -0.22 0.00 0.00 0.00 179.25 178.65 1r3r h LYS 242 N 0.13 -0.08 -0.14 0.00 3.64 -1.12 -1.99 116.57 117.00 1r3r h LYS 242 Ca 0.04 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 1r3r h LYS 242 Cb 0.04 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1r3r h LYS 242 CO -0.01 -0.05 -0.62 1.96 -2.27 0.00 0.00 179.45 178.46 1r3r h GLN 243 N -0.08 0.50 0.14 1.90 4.20 -1.09 -1.48 115.11 119.19 1r3r h GLN 243 Ca 0.05 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 1r3r h GLN 243 Cb 0.15 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1r3r h GLN 243 CO -0.11 0.96 -0.07 0.28 -0.67 0.00 0.00 178.83 179.23 1r3r h VAL 244 N 0.37 0.90 -0.64 -0.54 2.07 -1.05 -1.39 116.25 115.96 1r3r h VAL 244 Ca -0.01 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1r3r h VAL 244 Cb 1.18 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1r3r h VAL 244 CO 0.11 0.04 0.37 0.11 0.02 0.00 0.00 177.57 178.23 1r3r h LYS 245 N -0.28 0.68 -0.22 1.57 1.57 -1.31 -1.18 116.57 117.40 1r3r h LYS 245 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1r3r h LYS 245 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1r3r h LYS 245 CO 0.03 0.45 0.14 0.00 -0.57 0.00 0.00 179.45 179.50 1r3r h ALA 246 N 1.32 0.28 -0.79 3.86 0.00 -1.11 -1.46 119.26 121.35 1r3r h ALA 246 Ca 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1r3r h ALA 246 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1r3r h ALA 246 CO -0.15 -0.23 0.41 0.00 0.00 0.00 0.00 179.25 179.27 1r3r h ARG 247 N 0.28 1.12 -0.29 0.00 3.08 -1.06 -1.11 114.38 116.40 1r3r h ARG 247 Ca 0.08 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1r3r h ARG 247 Cb -0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1r3r h ARG 247 CO -0.02 0.85 0.00 -0.07 -1.07 0.00 0.00 179.97 179.67 1r3r h LEU 248 N 1.11 0.49 -0.47 3.04 3.38 -0.93 -1.77 115.31 120.16 1r3r h LEU 248 Ca 0.27 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1r3r h LEU 248 Cb 0.08 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1r3r h LEU 248 CO -0.04 0.68 0.26 0.03 0.09 0.00 0.00 178.44 179.45 1r3r h ARG 249 N 0.29 0.49 -0.06 1.13 3.08 -1.08 -1.34 114.38 116.89 1r3r h ARG 249 Ca 0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1r3r h ARG 249 Cb 0.42 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1r3r h ARG 249 CO 0.01 0.33 -0.03 0.93 -1.07 0.00 0.00 179.97 180.14 1r3r h GLU 250 N 0.51 0.09 -0.00 0.04 5.08 -1.02 -1.55 114.58 117.72 1r3r h GLU 250 Ca 0.20 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1r3r h GLU 250 Cb 0.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1r3r h GLU 250 CO -0.12 0.13 -0.03 0.00 -1.00 0.00 0.00 179.01 177.98 1r3r n ALA 251 N -2.52 2.66 -0.41 3.43 0.00 -0.68 -4.88 120.51 118.11 1r3r n ALA 251 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1r3r n ALA 251 Cb 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1r3r n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3r n GLY 252 N 1.15 0.77 3.93 0.00 0.00 -0.58 -5.06 105.19 105.41 1r3r n GLY 252 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1r3r n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3r s LEU 253 N 0.00 4.12 0.57 0.99 1.43 -0.59 -5.02 118.68 120.18 1r3r s LEU 253 Ca 0.00 -0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1r3r s LEU 253 Cb 0.00 -2.70 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 1r3r s LEU 253 CO 0.00 -0.12 1.01 0.00 0.23 0.00 0.00 176.35 177.47 1r3r s ALA 254 N -2.06 2.98 0.55 4.21 0.00 -1.26 -4.16 121.76 122.02 1r3r s ALA 254 Ca 0.36 0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.31 1r3r s ALA 254 Cb -0.09 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 1r3r s ALA 254 CO 0.28 -0.52 1.02 -1.25 0.00 0.00 0.00 175.76 175.29 1r3r s PRO 255 N -4.37 3.67 0.31 0.00 0.04 -1.26 -4.96 135.00 128.43 1r3r s PRO 255 Ca 0.59 1.06 0.11 0.00 0.04 0.00 0.00 61.00 62.80 1r3r s PRO 255 Cb -0.12 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 1r3r s PRO 255 CO 0.39 -0.51 -0.14 0.14 0.04 0.00 0.00 177.00 176.92 1r3r s VAL 256 N -2.55 2.38 0.37 -0.36 -7.23 -1.26 -5.05 120.40 106.69 1r3r s VAL 256 Ca 0.61 -2.30 -0.27 0.00 -1.81 0.00 0.00 61.98 58.21 1r3r s VAL 256 Cb -0.13 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.24 1r3r s VAL 256 CO 0.34 -0.30 1.26 -2.16 -0.31 0.00 0.00 175.10 173.93 1r3r s PRO 257 N -3.56 4.19 -0.05 4.82 0.04 -1.26 -4.84 135.00 134.33 1r3r s PRO 257 Ca 0.31 2.08 0.06 0.00 0.04 0.00 0.00 61.00 63.49 1r3r s PRO 257 Cb -0.01 -2.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 1r3r s PRO 257 CO 0.16 -0.28 -0.22 -1.64 0.04 0.00 0.00 177.00 175.06 1r3r s MET 258 N -2.01 2.48 -0.12 4.56 -1.94 -1.26 -1.65 119.30 119.35 1r3r s MET 258 Ca 0.53 -0.84 0.02 0.00 -1.71 0.00 0.00 55.69 53.68 1r3r s MET 258 Cb -0.37 -2.22 -0.01 0.00 2.01 0.00 0.00 34.83 34.25 1r3r s MET 258 CO 0.48 0.48 -0.18 0.42 -0.01 0.00 0.00 175.02 176.21 1r3r s ILE 259 N -0.39 2.57 -0.18 2.53 1.01 0.57 -1.49 121.20 125.80 1r3r s ILE 259 Ca 0.04 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 1r3r s ILE 259 Cb -0.12 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1r3r s ILE 259 CO 0.02 0.54 -0.01 -0.51 0.00 0.00 0.00 174.94 174.98 1r3r s ILE 260 N 0.42 4.02 -0.31 2.92 1.10 -0.37 -0.16 121.20 128.81 1r3r s ILE 260 Ca -0.13 -0.30 0.03 0.00 -0.51 0.00 0.00 60.65 59.73 1r3r s ILE 260 Cb -0.17 -2.80 0.09 0.00 0.15 0.00 0.00 42.46 39.73 1r3r s ILE 260 CO 0.06 0.45 0.03 0.12 -2.11 0.00 0.00 174.94 173.49 1r3r s PHE 261 N 0.73 3.17 -0.59 3.50 5.36 -0.57 -0.29 117.98 129.29 1r3r s PHE 261 Ca -0.00 -2.54 -0.11 0.00 -0.96 0.00 0.00 56.93 53.31 1r3r s PHE 261 Cb -0.14 -2.42 0.15 0.00 -0.34 0.00 0.00 43.02 40.27 1r3r s PHE 261 CO 0.02 -0.91 0.49 0.00 -1.46 0.00 0.00 175.22 173.37 1r3r s ALA 262 N 1.11 3.64 0.24 11.12 0.00 -1.26 -0.77 121.76 135.84 1r3r s ALA 262 Ca 0.06 -2.82 -0.30 0.00 0.00 0.00 0.00 51.96 48.90 1r3r s ALA 262 Cb -0.19 -3.07 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1r3r s ALA 262 CO -0.10 -2.05 1.48 0.21 0.00 0.00 0.00 175.76 175.29 1r3r s LYS 263 N 0.95 4.24 -1.62 0.00 2.20 -0.69 -1.44 119.74 123.39 1r3r s LYS 263 Ca 0.09 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 1r3r s LYS 263 Cb -0.23 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1r3r s LYS 263 CO -0.02 -0.47 0.00 -0.25 -0.36 0.00 0.00 175.35 174.25 1r3r n ASP 264 N 2.56 -4.96 -1.98 1.43 8.00 -1.26 -2.53 116.55 117.81 1r3r n ASP 264 Ca 0.08 0.24 -0.19 0.00 0.71 0.00 0.00 54.79 55.62 1r3r n ASP 264 Cb 0.40 -3.98 0.14 0.00 -0.02 0.00 0.00 41.12 37.66 1r3r n ASP 264 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r3r n GLY 265 N -0.97 4.03 0.34 0.44 0.00 -0.52 -3.95 105.19 104.56 1r3r n GLY 265 Ca -0.18 -0.91 0.20 0.00 0.00 0.00 0.00 46.02 45.13 1r3r n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1r3r h HIS 266 N 0.84 0.94 0.00 1.61 2.07 -1.92 -0.89 115.15 117.81 1r3r h HIS 266 Ca 0.50 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 1r3r h HIS 266 Cb 2.40 -0.26 0.00 0.00 2.57 0.00 0.00 27.41 32.13 1r3r h HIS 266 CO 1.26 -0.05 0.00 1.97 -3.07 0.00 0.00 177.93 178.04 1r3r n PHE 267 N -4.97 0.01 0.19 6.12 1.16 -1.26 -3.33 117.46 115.37 1r3r n PHE 267 Ca 0.28 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.91 1r3r n PHE 267 Cb 0.84 -0.50 0.06 0.00 -1.61 0.00 0.00 39.48 38.27 1r3r n PHE 267 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1r3r n ALA 268 N -1.50 2.36 -0.33 1.98 0.00 -0.34 -4.76 120.51 117.93 1r3r n ALA 268 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 1r3r n ALA 268 Cb 0.26 -0.31 0.11 0.00 0.00 0.00 0.00 19.45 19.51 1r3r n ALA 268 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1r3r h LEU 269 N 1.65 0.97 -0.17 0.00 3.38 -1.57 0.21 115.31 119.78 1r3r h LEU 269 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1r3r h LEU 269 Cb 0.47 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1r3r h LEU 269 CO 0.00 0.67 0.05 -0.08 0.09 0.00 0.00 178.44 179.17 1r3r h GLU 270 N 1.13 0.12 -0.20 1.13 4.81 -1.86 -1.30 114.58 118.41 1r3r h GLU 270 Ca 0.35 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 1r3r h GLU 270 Cb -0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1r3r h GLU 270 CO -0.11 0.08 -0.37 0.93 -0.73 0.00 0.00 179.01 178.81 1r3r h GLU 271 N 0.12 0.44 -0.02 1.92 4.39 -1.76 -2.96 114.58 116.72 1r3r h GLU 271 Ca 0.07 -0.21 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 1r3r h GLU 271 Cb 0.05 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1r3r h GLU 271 CO -0.08 0.76 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.12 1r3r h LEU 272 N 0.37 0.04 -0.85 1.33 3.38 -0.66 -1.34 115.31 117.59 1r3r h LEU 272 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1r3r h LEU 272 Cb 0.83 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1r3r h LEU 272 CO 0.07 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1r3r n ALA 273 N -2.48 1.52 0.72 1.53 0.00 -0.52 -2.70 120.51 118.58 1r3r n ALA 273 Ca -0.02 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.62 1r3r n ALA 273 Cb 0.38 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.53 1r3r n ALA 273 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r3r n GLN 274 N -2.23 1.40 -0.01 0.00 6.02 -0.53 -4.68 117.38 117.35 1r3r n GLN 274 Ca 0.01 -1.50 0.14 0.00 -0.01 0.00 0.00 57.00 55.64 1r3r n GLN 274 Cb 0.18 -1.33 0.65 0.00 1.02 0.00 0.00 30.24 30.77 1r3r n GLN 274 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r3r n ALA 275 N 0.94 2.61 -0.23 -1.58 0.00 -1.05 -4.87 120.51 116.33 1r3r n ALA 275 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1r3r n ALA 275 Cb 0.43 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1r3r n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3r n GLY 276 N 1.08 0.88 3.57 0.00 0.00 -1.26 -4.44 105.19 105.02 1r3r n GLY 276 Ca 0.20 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1r3r n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r3r s TYR 277 N -2.00 3.00 0.32 1.61 1.51 -1.26 -4.88 117.35 115.65 1r3r s TYR 277 Ca 0.00 -0.05 0.10 0.00 -1.01 0.00 0.00 57.07 56.12 1r3r s TYR 277 Cb 0.00 -1.80 0.53 0.00 -0.11 0.00 0.00 41.96 40.58 1r3r s TYR 277 CO 0.00 0.24 1.72 0.93 -1.11 0.00 0.00 175.55 177.33 1r3r h GLU 278 N 5.67 0.06 -4.84 -0.62 3.07 -1.59 -3.44 114.58 112.88 1r3r h GLU 278 Ca -0.44 -0.03 -0.48 0.00 -0.50 0.00 0.00 59.36 57.91 1r3r h GLU 278 Cb 1.18 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 28.78 1r3r h GLU 278 CO 0.56 0.52 -0.81 0.08 -1.40 0.00 0.00 179.01 177.96 1r3r s VAL 279 N -3.97 1.04 -0.24 3.13 1.01 -0.76 -1.43 120.40 119.18 1r3r s VAL 279 Ca -0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1r3r s VAL 279 Cb 0.14 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 1r3r s VAL 279 CO 0.75 0.32 -0.00 -0.69 0.00 0.00 0.00 175.10 175.47 1r3r s VAL 280 N 0.18 3.59 0.24 2.92 1.01 0.02 -1.24 120.40 127.13 1r3r s VAL 280 Ca -0.04 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 1r3r s VAL 280 Cb -0.10 -2.71 -0.08 0.00 0.00 0.00 0.00 36.38 33.49 1r3r s VAL 280 CO 0.01 0.31 0.66 -0.83 0.00 0.00 0.00 175.10 175.25 1r3r s GLY 281 N 1.49 2.43 0.00 4.51 0.00 0.60 -1.49 107.32 114.86 1r3r s GLY 281 Ca 0.05 -0.02 0.07 0.00 0.00 0.00 0.00 44.72 44.81 1r3r s GLY 281 CO -0.01 0.23 -0.21 1.08 0.00 0.00 0.00 173.10 174.18 1r3r s LEU 282 N -2.45 2.08 0.97 0.66 1.43 0.16 -4.15 118.68 117.38 1r3r s LEU 282 Ca 0.46 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 1r3r s LEU 282 Cb -0.13 -1.08 0.19 0.00 0.03 0.00 0.00 46.19 45.20 1r3r s LEU 282 CO 0.19 0.24 1.22 1.51 0.23 0.00 0.00 176.35 179.75 1r3r s ASP 283 N -0.70 2.98 0.00 2.29 1.47 -1.26 -4.45 116.67 117.01 1r3r s ASP 283 Ca 0.08 0.55 0.30 0.00 1.18 0.00 0.00 52.55 54.67 1r3r s ASP 283 Cb -0.08 -0.81 1.51 0.00 -0.34 0.00 0.00 42.92 43.20 1r3r s ASP 283 CO -0.00 -2.84 2.02 -2.67 0.68 0.00 0.00 175.17 172.36 1r3r n TRP 284 N -3.89 0.00 0.96 2.11 2.14 -1.22 -3.36 117.44 114.18 1r3r n TRP 284 Ca 0.12 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.82 1r3r n TRP 284 Cb 0.60 -0.11 0.39 0.00 -0.81 0.00 0.00 31.31 31.37 1r3r n TRP 284 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1r3r n THR 285 N -0.90 0.04 -3.63 -1.67 -2.24 -1.26 -4.77 114.28 99.85 1r3r n THR 285 Ca 0.18 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.57 1r3r n THR 285 Cb 0.22 -0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 1r3r n THR 285 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1r3r s VAL 286 N -3.01 5.34 0.10 2.28 1.01 -1.21 -5.05 120.40 119.85 1r3r s VAL 286 Ca 0.12 0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 1r3r s VAL 286 Cb 0.18 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1r3r s VAL 286 CO 0.63 0.31 1.74 0.00 0.00 0.00 0.00 175.10 177.78 1r3r s ALA 287 N 1.32 3.73 0.28 5.51 0.00 -1.26 -4.87 121.76 126.46 1r3r s ALA 287 Ca 0.08 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1r3r s ALA 287 Cb -0.14 -3.73 0.64 0.00 0.00 0.00 0.00 23.12 19.89 1r3r s ALA 287 CO 0.07 -1.15 1.68 -1.35 0.00 0.00 0.00 175.76 175.01 1r3r h PRO 288 N 8.40 0.31 -0.84 0.00 0.11 -1.95 -1.50 132.00 136.53 1r3r h PRO 288 Ca -0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1r3r h PRO 288 Cb 1.21 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1r3r h PRO 288 CO 0.94 0.20 0.41 0.87 -0.21 0.00 0.00 178.00 180.22 1r3r h LYS 289 N 0.32 1.20 -0.64 1.05 1.57 -1.91 0.15 116.57 118.30 1r3r h LYS 289 Ca 0.51 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 59.06 1r3r h LYS 289 Cb 0.96 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1r3r h LYS 289 CO -0.55 0.91 0.14 0.87 -0.57 0.00 0.00 179.45 180.26 1r3r h LYS 290 N 1.19 1.04 -0.59 3.15 1.57 -1.69 -2.20 116.57 119.03 1r3r h LYS 290 Ca 0.29 -0.26 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1r3r h LYS 290 Cb 0.10 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 1r3r h LYS 290 CO -0.04 0.94 0.28 0.00 -0.57 0.00 0.00 179.45 180.06 1r3r h ALA 291 N 1.05 0.78 -0.70 3.86 0.00 -0.87 -1.26 119.26 122.12 1r3r h ALA 291 Ca 0.20 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1r3r h ALA 291 Cb 0.38 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1r3r h ALA 291 CO 0.00 -0.09 0.22 -0.09 0.00 0.00 0.00 179.25 179.29 1r3r h ARG 292 N 0.52 1.07 -0.66 0.00 9.65 -0.70 -0.88 114.38 123.37 1r3r h ARG 292 Ca 0.28 -0.22 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 1r3r h ARG 292 Cb 0.25 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 1r3r h ARG 292 CO -0.22 0.92 0.20 0.93 2.80 0.00 0.00 179.97 184.59 1r3r h GLU 293 N 1.03 1.04 -0.55 0.20 5.08 -1.02 -0.98 114.58 119.38 1r3r h GLU 293 Ca 0.23 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1r3r h GLU 293 Cb 0.29 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1r3r h GLU 293 CO -0.01 0.91 0.16 0.00 -1.00 0.00 0.00 179.01 179.07 1r3r n VAL 295 N -4.43 0.40 -3.35 0.00 0.24 -0.41 -4.15 118.33 106.63 1r3r n VAL 295 Ca 0.02 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1r3r n VAL 295 Cb 0.21 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1r3r n VAL 295 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r3r n GLY 296 N 1.22 -1.73 0.88 7.63 0.00 -0.38 -4.61 105.19 108.19 1r3r n GLY 296 Ca -0.01 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.66 1r3r n GLY 296 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r3r n LYS 297 N 0.00 2.04 -0.12 1.61 5.02 -1.26 -4.43 118.16 121.02 1r3r n LYS 297 Ca 0.00 -1.83 -0.24 0.00 -2.02 0.00 0.00 58.31 54.22 1r3r n LYS 297 Cb 0.00 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 33.48 1r3r n LYS 297 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1r3r n THR 298 N 1.23 1.53 -1.61 -0.18 5.66 -1.26 -4.97 114.28 114.67 1r3r n THR 298 Ca 0.13 -0.14 -0.34 0.00 -3.05 0.00 0.00 64.05 60.65 1r3r n THR 298 Cb 0.54 -2.00 0.07 0.00 -1.55 0.00 0.00 70.33 67.40 1r3r n THR 298 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1r3r s VAL 299 N -2.41 2.70 0.08 1.08 -7.23 -1.26 -4.89 120.40 108.47 1r3r s VAL 299 Ca -0.32 0.35 -0.22 0.00 -1.81 0.00 0.00 61.98 59.97 1r3r s VAL 299 Cb 0.09 -2.90 -0.07 0.00 0.56 0.00 0.00 36.38 34.06 1r3r s VAL 299 CO 0.55 -0.18 0.66 -0.89 -0.31 0.00 0.00 175.10 174.93 1r3r s THR 300 N -2.08 4.65 -0.03 5.32 2.01 -0.51 -4.92 115.64 120.07 1r3r s THR 300 Ca 0.72 1.42 -0.05 0.00 0.31 0.00 0.00 61.69 64.09 1r3r s THR 300 Cb -0.26 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1r3r s THR 300 CO 0.42 0.50 0.19 -0.76 -0.69 0.00 0.00 174.62 174.29 1r3r s LEU 301 N -0.83 4.38 -0.02 4.42 1.43 -0.66 -0.80 118.68 126.60 1r3r s LEU 301 Ca 0.33 0.43 0.06 0.00 -1.03 0.00 0.00 54.13 53.92 1r3r s LEU 301 Cb -0.21 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.50 1r3r s LEU 301 CO 0.21 0.30 -0.21 -1.58 0.23 0.00 0.00 176.35 175.30 1r3r s GLN 302 N -1.68 1.78 0.00 1.70 0.74 -0.56 -1.10 119.66 120.55 1r3r s GLN 302 Ca 0.24 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.90 1r3r s GLN 302 Cb -0.13 -1.68 0.00 0.00 1.10 0.00 0.00 33.01 32.30 1r3r s GLN 302 CO 0.15 0.43 0.00 0.41 -0.55 0.00 0.00 175.29 175.72 1r3r n GLY 303 N 2.65 0.79 2.11 2.59 0.00 -0.55 -0.67 105.19 112.12 1r3r n GLY 303 Ca -0.16 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.03 1r3r n GLY 303 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r3r n ASN 304 N 0.00 0.86 -4.74 1.61 6.94 -0.87 -2.28 115.26 116.78 1r3r n ASN 304 Ca 0.00 -2.03 -0.41 0.00 -0.02 0.00 0.00 54.58 52.12 1r3r n ASN 304 Cb 0.00 -0.24 -0.02 0.00 -2.36 0.00 0.00 39.78 37.16 1r3r n ASN 304 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1r3r s LEU 305 N -1.94 4.38 -0.42 -4.53 2.96 -0.99 -3.37 118.68 114.77 1r3r s LEU 305 Ca 0.26 2.67 -0.44 0.00 -0.22 0.00 0.00 54.13 56.41 1r3r s LEU 305 Cb 0.33 -3.62 -0.18 0.00 0.50 0.00 0.00 46.19 43.22 1r3r s LEU 305 CO -0.10 -0.73 1.75 -0.67 -1.32 0.00 0.00 176.35 175.29 1r3r n ASP 306 N 2.52 1.59 -0.18 3.68 2.03 -1.26 0.15 116.55 125.08 1r3r n ASP 306 Ca 0.08 1.04 0.11 0.00 0.52 0.00 0.00 54.79 56.54 1r3r n ASP 306 Cb 0.40 -0.99 0.42 0.00 -0.72 0.00 0.00 41.12 40.23 1r3r n ASP 306 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1r3r h PRO 307 N 6.66 0.57 0.00 -0.67 0.13 -1.89 -0.32 132.00 136.49 1r3r h PRO 307 Ca -0.39 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1r3r h PRO 307 Cb 1.36 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1r3r h PRO 307 CO 0.99 0.38 0.00 0.00 -0.23 0.00 0.00 178.00 179.14 1r3r h ALA 309 N 2.14 1.91 0.00 0.00 0.00 -1.40 -0.86 119.26 121.05 1r3r h ALA 309 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r3r h ALA 309 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1r3r h ALA 309 CO 0.00 -0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.15 1r3r n LEU 310 N -3.83 0.00 0.23 0.00 4.77 -0.57 -1.46 117.00 116.14 1r3r n LEU 310 Ca 0.03 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 1r3r n LEU 310 Cb 0.39 -0.34 0.39 0.00 -2.33 0.00 0.00 43.42 41.53 1r3r n LEU 310 CO 0.28 -0.14 0.81 1.88 -1.33 0.00 0.00 177.39 178.89 1r3r h TYR 311 N 0.00 0.00 -3.55 -1.77 0.99 -1.36 -3.44 116.97 107.84 1r3r h TYR 311 Ca 0.00 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.29 1r3r h TYR 311 Cb 0.20 0.00 0.19 0.00 1.00 0.00 0.00 36.73 38.11 1r3r h TYR 311 CO 0.00 0.14 0.10 0.00 -0.00 0.00 0.00 178.16 178.40 1r3r s ALA 312 N -3.45 0.24 0.79 3.88 0.00 -0.54 -5.02 121.76 117.67 1r3r s ALA 312 Ca 0.03 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 1r3r s ALA 312 Cb 0.08 -3.12 0.07 0.00 0.00 0.00 0.00 23.12 20.15 1r3r s ALA 312 CO 0.63 -3.43 1.10 -1.54 0.00 0.00 0.00 175.76 172.52 1r3r s SER 313 N -3.17 4.27 0.25 0.00 1.04 -1.26 -4.77 113.70 110.06 1r3r s SER 313 Ca 0.67 1.91 -0.03 0.00 0.48 0.00 0.00 55.95 58.98 1r3r s SER 313 Cb -0.20 -2.53 0.41 0.00 0.10 0.00 0.00 66.02 63.81 1r3r s SER 313 CO 0.60 -2.19 1.83 -0.33 0.98 0.00 0.00 173.24 174.13 1r3r h GLU 314 N -1.16 0.88 -0.50 4.02 5.08 -1.95 0.18 114.58 121.13 1r3r h GLU 314 Ca -0.44 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1r3r h GLU 314 Cb 1.24 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1r3r h GLU 314 CO 0.50 0.58 0.29 1.49 -1.00 0.00 0.00 179.01 180.87 1r3r h GLU 315 N 0.90 0.69 -0.68 2.33 4.81 -2.00 -1.41 114.58 119.22 1r3r h GLU 315 Ca 0.41 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 1r3r h GLU 315 Cb 0.33 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1r3r h GLU 315 CO -0.23 0.52 0.14 0.93 -0.73 0.00 0.00 179.01 179.64 1r3r h GLU 316 N 0.67 1.10 -0.76 1.92 5.08 -1.61 -2.13 114.58 118.85 1r3r h GLU 316 Ca 0.18 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1r3r h GLU 316 Cb 0.02 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.07 1r3r h GLU 316 CO -0.03 0.99 0.45 0.82 -1.00 0.00 0.00 179.01 180.24 1r3r h ILE 317 N 1.03 1.00 -0.78 3.13 2.04 -0.74 0.81 117.51 124.00 1r3r h ILE 317 Ca 0.21 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1r3r h ILE 317 Cb 0.40 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1r3r h ILE 317 CO 0.01 0.15 0.52 1.23 0.00 0.00 0.00 178.15 180.05 1r3r h GLY 318 N 0.83 1.10 1.01 5.37 0.00 -0.62 0.39 103.07 111.15 1r3r h GLY 318 Ca 0.34 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 1r3r h GLY 318 CO -0.18 0.39 -0.33 1.46 0.00 0.00 0.00 176.54 177.89 1r3r h GLN 319 N 1.05 0.75 -0.80 4.80 4.20 -0.96 -1.72 115.11 122.43 1r3r h GLN 319 Ca 0.29 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1r3r h GLN 319 Cb -0.11 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1r3r h GLN 319 CO -0.07 1.03 0.46 -0.07 -0.67 0.00 0.00 178.83 179.52 1r3r h LEU 320 N 0.51 0.97 -0.34 1.46 3.38 -0.39 -1.95 115.31 118.96 1r3r h LEU 320 Ca 0.04 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1r3r h LEU 320 Cb 0.90 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1r3r h LEU 320 CO 0.08 0.76 -0.38 0.58 0.09 0.00 0.00 178.44 179.57 1r3r h VAL 321 N 1.11 1.28 -0.51 1.22 2.07 -0.82 -1.27 116.25 119.33 1r3r h VAL 321 Ca 0.29 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1r3r h VAL 321 Cb -0.02 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1r3r h VAL 321 CO -0.05 0.51 0.31 0.50 0.02 0.00 0.00 177.57 178.87 1r3r h LYS 322 N 0.65 0.69 -0.44 1.57 3.64 -1.01 -0.20 116.57 121.48 1r3r h LYS 322 Ca 0.05 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1r3r h LYS 322 Cb 0.97 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1r3r h LYS 322 CO 0.09 0.50 0.19 0.37 -2.27 0.00 0.00 179.45 178.33 1r3r h GLN 323 N 0.69 0.64 -0.35 1.90 5.75 -1.14 -0.94 115.11 121.66 1r3r h GLN 323 Ca 0.18 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.63 1r3r h GLN 323 Cb -0.02 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.37 1r3r h GLN 323 CO -0.04 0.58 0.07 1.98 -2.65 0.00 0.00 178.83 178.77 1r3r h MET 324 N 0.56 0.19 -0.40 1.69 4.05 -0.78 -1.81 114.93 118.43 1r3r h MET 324 Ca 0.15 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.48 1r3r h MET 324 Cb 0.17 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1r3r h MET 324 CO -0.01 0.12 -0.05 -0.07 0.23 0.00 0.00 176.91 177.13 1r3r h LEU 325 N 0.19 0.64 -0.65 3.39 4.07 -0.78 -1.63 115.31 120.54 1r3r h LEU 325 Ca 0.17 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1r3r h LEU 325 Cb 0.19 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 1r3r h LEU 325 CO -0.22 0.74 0.40 0.44 -1.08 0.00 0.00 178.44 178.73 1r3r h ASP 326 N 0.62 0.77 -0.45 -0.43 3.32 -0.77 -1.75 116.42 117.74 1r3r h ASP 326 Ca 0.12 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 1r3r h ASP 326 Cb 0.46 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1r3r h ASP 326 CO 0.02 0.60 -0.01 0.44 -1.72 0.00 0.00 179.24 178.57 1r3r h ASP 327 N 0.88 0.79 0.46 6.45 5.19 -0.94 -3.19 116.42 126.07 1r3r h ASP 327 Ca 0.23 -0.31 -0.13 0.00 -0.62 0.00 0.00 57.03 56.20 1r3r h ASP 327 Cb -0.04 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.24 1r3r h ASP 327 CO -0.05 0.91 -0.58 -0.26 -3.12 0.00 0.00 179.24 176.14 1r3r h PHE 328 N 0.65 0.15 -0.12 4.55 -1.00 -1.26 -3.39 116.94 116.52 1r3r h PHE 328 Ca 0.13 -0.06 0.01 0.00 2.81 0.00 0.00 57.97 60.86 1r3r h PHE 328 Cb 0.51 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1r3r h PHE 328 CO 0.04 0.67 -0.04 0.41 -1.61 0.00 0.00 178.31 177.78 1r3r n GLY 329 N 0.18 -2.23 0.19 -1.45 0.00 -0.66 -4.65 105.19 96.57 1r3r n GLY 329 Ca -0.02 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.67 1r3r n GLY 329 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3r h PRO 330 N -0.05 0.00 -5.79 1.61 0.13 -1.93 -3.46 132.00 122.51 1r3r h PRO 330 Ca -0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.48 1r3r h PRO 330 Cb 0.05 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.12 1r3r h PRO 330 CO 0.00 0.00 -0.41 -1.01 -0.23 0.00 0.00 178.00 176.35 1r3r s HIS 331 N -3.33 3.61 -1.19 1.56 3.76 -1.26 -4.56 115.29 113.87 1r3r s HIS 331 Ca 0.06 0.60 -0.07 0.00 -0.15 0.00 0.00 55.06 55.49 1r3r s HIS 331 Cb 0.09 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.76 1r3r s HIS 331 CO 0.57 0.68 0.79 0.54 -0.85 0.00 0.00 174.74 176.47 1r3r n ARG 332 N 1.59 -3.36 -3.70 1.40 1.74 -1.26 -4.92 116.66 108.15 1r3r n ARG 332 Ca -0.15 0.65 -0.11 0.00 -0.77 0.00 0.00 57.85 57.46 1r3r n ARG 332 Cb 0.54 -5.08 -0.12 0.00 -1.02 0.00 0.00 32.46 26.78 1r3r n ARG 332 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1r3r s TYR 333 N -3.53 -0.52 -0.14 -1.55 5.04 -1.26 -1.66 117.35 113.73 1r3r s TYR 333 Ca 0.24 1.13 0.02 0.00 -2.44 0.00 0.00 57.07 56.02 1r3r s TYR 333 Cb -0.06 0.17 0.01 0.00 0.35 0.00 0.00 41.96 42.43 1r3r s TYR 333 CO 0.80 -0.33 -0.20 0.42 -1.34 0.00 0.00 175.55 174.91 1r3r s ILE 334 N 1.63 1.93 0.39 3.14 1.01 -0.26 -4.59 121.20 124.45 1r3r s ILE 334 Ca -0.07 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.44 1r3r s ILE 334 Cb -0.10 -1.72 -0.09 0.00 0.01 0.00 0.00 42.46 40.56 1r3r s ILE 334 CO -0.11 0.52 1.04 0.00 0.00 0.00 0.00 174.94 176.39 1r3r s ALA 335 N 0.94 3.10 0.23 9.38 0.00 -0.34 -1.49 121.76 133.59 1r3r s ALA 335 Ca -0.05 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.38 1r3r s ALA 335 Cb -0.15 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.77 1r3r s ALA 335 CO -0.04 -0.18 0.91 1.21 0.00 0.00 0.00 175.76 177.67 1r3r s ASN 336 N -1.57 -0.09 0.95 0.00 3.84 -0.97 -2.62 114.94 114.48 1r3r s ASN 336 Ca 0.57 -0.68 -0.15 0.00 0.21 0.00 0.00 52.86 52.81 1r3r s ASN 336 Cb -0.22 0.61 0.17 0.00 -0.55 0.00 0.00 41.25 41.26 1r3r s ASN 336 CO 0.27 -1.17 1.24 -0.76 -2.79 0.00 0.00 177.10 173.89 1r3r s LEU 337 N -3.11 2.33 0.00 3.21 1.43 -1.26 -2.04 118.68 119.23 1r3r s LEU 337 Ca 0.16 0.53 0.28 0.00 -1.03 0.00 0.00 54.13 54.08 1r3r s LEU 337 Cb -0.03 -2.69 1.17 0.00 0.03 0.00 0.00 46.19 44.67 1r3r s LEU 337 CO 0.06 -2.67 1.83 0.61 0.23 0.00 0.00 176.35 176.41 1r3r n GLY 338 N -3.11 -0.96 1.99 -3.19 0.00 0.12 -4.35 105.19 95.70 1r3r n GLY 338 Ca 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 1r3r n GLY 338 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r3r n HIS 339 N -0.98 -1.16 -1.95 1.61 -0.00 -1.26 -4.17 115.22 107.31 1r3r n HIS 339 Ca 0.14 -0.74 -0.32 0.00 -0.00 0.00 0.00 57.72 56.80 1r3r n HIS 339 Cb 0.29 0.36 0.02 0.00 -0.00 0.00 0.00 29.99 30.66 1r3r n HIS 339 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1r3r s GLY 340 N -2.53 2.03 0.52 1.57 0.00 -1.26 -4.56 107.32 103.09 1r3r s GLY 340 Ca 0.11 0.33 -0.22 0.00 0.00 0.00 0.00 44.72 44.94 1r3r s GLY 340 CO 0.04 0.65 1.35 1.04 0.00 0.00 0.00 173.10 176.17 1r3r n LEU 341 N -2.25 5.27 -4.93 0.66 4.77 -0.80 -4.91 117.00 114.81 1r3r n LEU 341 Ca 0.08 1.00 -0.27 0.00 -0.03 0.00 0.00 56.01 56.80 1r3r n LEU 341 Cb 0.53 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 1r3r n LEU 341 CO 0.49 -0.58 0.01 -0.31 -1.33 0.00 0.00 177.39 175.68 1r3r s TYR 342 N -1.27 3.48 0.53 -1.77 4.12 -1.26 -4.90 117.35 116.28 1r3r s TYR 342 Ca 0.69 0.30 0.34 0.00 0.02 0.00 0.00 57.07 58.42 1r3r s TYR 342 Cb -0.43 -1.82 1.87 0.00 -1.52 0.00 0.00 41.96 40.06 1r3r s TYR 342 CO 0.51 0.39 2.22 -1.35 0.02 0.00 0.00 175.55 177.34 1r3r h PRO 343 N 1.94 0.00 -0.55 -1.71 0.11 -1.96 -2.20 132.00 127.63 1r3r h PRO 343 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1r3r h PRO 343 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1r3r h PRO 343 CO 0.68 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1r3r n ASP 344 N -3.52 3.02 -4.87 -2.05 5.75 -1.26 -3.70 116.55 109.93 1r3r n ASP 344 Ca -0.02 -2.08 -0.31 0.00 -0.01 0.00 0.00 54.79 52.37 1r3r n ASP 344 Cb 0.14 -0.39 -0.01 0.00 -1.03 0.00 0.00 41.12 39.82 1r3r n ASP 344 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1r3r s MET 345 N -1.41 3.75 -0.28 0.11 -1.94 -0.83 -5.03 119.30 113.68 1r3r s MET 345 Ca 0.36 0.70 -0.16 0.00 -1.71 0.00 0.00 55.69 54.88 1r3r s MET 345 Cb 0.20 -2.19 -0.03 0.00 2.01 0.00 0.00 34.83 34.81 1r3r s MET 345 CO 0.23 -0.32 0.42 0.34 -0.01 0.00 0.00 175.02 175.67 1r3r s ASP 346 N -3.60 6.30 0.41 3.03 -1.08 -1.26 -4.79 116.67 115.68 1r3r s ASP 346 Ca 0.55 0.31 0.19 0.00 -0.52 0.00 0.00 52.55 53.07 1r3r s ASP 346 Cb -0.10 -2.23 1.10 0.00 -1.46 0.00 0.00 42.92 40.23 1r3r s ASP 346 CO 0.41 -0.24 1.81 -0.65 0.52 0.00 0.00 175.17 177.02 1r3r h PRO 347 N 8.16 0.38 0.00 4.34 0.11 -1.96 0.22 132.00 143.25 1r3r h PRO 347 Ca -0.30 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1r3r h PRO 347 Cb 1.15 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1r3r h PRO 347 CO 0.67 0.25 -0.09 0.93 -0.21 0.00 0.00 178.00 179.55 1r3r h GLU 348 N 0.39 0.00 0.01 1.05 4.39 -1.97 -1.00 114.58 117.45 1r3r h GLU 348 Ca 0.54 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 60.05 1r3r h GLU 348 Cb 1.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.00 1r3r h GLU 348 CO -0.23 0.09 -0.88 0.45 -1.16 0.00 0.00 179.01 177.29 1r3r h HIS 349 N 0.00 0.13 -0.49 4.33 3.86 -0.89 -1.54 115.15 120.54 1r3r h HIS 349 Ca -0.00 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1r3r h HIS 349 Cb 0.17 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1r3r h HIS 349 CO 0.00 0.91 0.17 0.28 0.86 0.00 0.00 177.93 180.16 1r3r h VAL 350 N 0.04 1.22 -0.86 2.45 2.07 -1.13 -1.81 116.25 118.24 1r3r h VAL 350 Ca -0.03 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1r3r h VAL 350 Cb 1.52 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 1r3r h VAL 350 CO 0.12 0.27 0.53 1.23 0.02 0.00 0.00 177.57 179.73 1r3r h GLY 351 N 0.66 1.30 1.20 2.17 0.00 -1.07 -1.83 103.07 105.52 1r3r h GLY 351 Ca 0.16 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1r3r h GLY 351 CO -0.01 0.24 0.15 0.00 0.00 0.00 0.00 176.54 176.92 1r3r h ALA 352 N 1.42 1.08 -0.11 3.60 0.00 -1.04 -0.37 119.26 123.83 1r3r h ALA 352 Ca 0.38 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1r3r h ALA 352 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1r3r h ALA 352 CO -0.19 0.61 0.06 0.35 0.00 0.00 0.00 179.25 180.08 1r3r h PHE 353 N 0.95 0.15 -0.04 0.00 3.57 -0.71 -1.03 116.94 119.83 1r3r h PHE 353 Ca 0.20 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1r3r h PHE 353 Cb 0.34 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1r3r h PHE 353 CO 0.02 0.17 0.01 0.28 -2.23 0.00 0.00 178.31 176.57 1r3r h VAL 354 N 0.08 1.17 -0.65 1.41 2.07 -1.12 -1.28 116.25 117.94 1r3r h VAL 354 Ca 0.04 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1r3r h VAL 354 Cb 0.07 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1r3r h VAL 354 CO -0.01 0.14 0.40 0.44 0.02 0.00 0.00 177.57 178.57 1r3r h ASP 355 N -0.14 0.77 0.46 0.57 3.32 -1.05 -2.53 116.42 117.82 1r3r h ASP 355 Ca 0.01 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.84 1r3r h ASP 355 Cb 0.22 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1r3r h ASP 355 CO -0.00 0.58 -0.83 0.00 -1.72 0.00 0.00 179.24 177.27 1r3r h ALA 356 N 1.55 0.55 -0.27 3.45 0.00 -0.74 -0.48 119.26 123.31 1r3r h ALA 356 Ca 0.24 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1r3r h ALA 356 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1r3r h ALA 356 CO -0.05 0.85 0.18 0.28 0.00 0.00 0.00 179.25 180.51 1r3r h VAL 357 N 0.17 1.07 0.05 0.00 2.07 -0.93 -1.54 116.25 117.14 1r3r h VAL 357 Ca -0.04 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1r3r h VAL 357 Cb 1.43 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1r3r h VAL 357 CO 0.13 0.07 -0.03 0.45 0.02 0.00 0.00 177.57 178.21 1r3r h HIS 358 N 0.37 -0.07 0.45 1.57 -0.00 -1.29 -1.01 115.15 115.18 1r3r h HIS 358 Ca 0.10 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 1r3r h HIS 358 Cb -0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1r3r h HIS 358 CO -0.06 0.02 -0.28 -0.22 -0.00 0.00 0.00 177.93 177.39 1r3r h LYS 359 N -0.13 -0.67 0.00 2.45 3.64 -1.08 -2.67 116.57 118.10 1r3r h LYS 359 Ca -0.01 0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1r3r h LYS 359 Cb 0.11 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1r3r h LYS 359 CO 0.01 -0.45 -0.55 0.45 -2.27 0.00 0.00 179.45 176.64 1r3r h HIS 360 N -0.70 0.00 -0.10 1.91 3.86 -1.28 -2.08 115.15 116.76 1r3r h HIS 360 Ca -0.05 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 58.99 1r3r h HIS 360 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1r3r h HIS 360 CO -0.10 0.55 -0.66 0.66 0.86 0.00 0.00 177.93 179.24 1r3r h SER 361 N 0.00 0.48 -0.02 2.45 4.64 -1.18 -0.37 113.55 119.55 1r3r h SER 361 Ca -0.01 -0.29 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1r3r h SER 361 Cb 1.04 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1r3r h SER 361 CO 0.07 1.01 0.00 0.03 -0.87 0.00 0.00 176.83 177.08 1r3r h ARG 362 N 0.30 0.03 -0.76 4.77 3.08 -1.19 -2.91 114.38 117.68 1r3r h ARG 362 Ca -0.02 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.21 1r3r h ARG 362 Cb 1.22 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.22 1r3r h ARG 362 CO 0.11 0.23 0.52 -0.07 -1.07 0.00 0.00 179.97 179.70 1r3r h LEU 363 N -0.18 0.25 -0.06 3.04 3.38 -1.30 -1.00 115.31 119.43 1r3r h LEU 363 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1r3r h LEU 363 Cb 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1r3r h LEU 363 CO -0.00 0.12 0.00 -0.11 0.09 0.00 0.00 178.44 178.54 1r3r n LEU 364 N -4.43 0.40 0.01 1.67 7.94 -0.16 -3.12 117.00 119.32 1r3r n LEU 364 Ca 0.15 0.55 0.11 0.00 -1.11 0.00 0.00 56.01 55.71 1r3r n LEU 364 Cb 0.66 -0.43 -0.09 0.00 0.53 0.00 0.00 43.42 44.09 1r3r n LEU 364 CO 0.34 -0.15 -0.31 0.54 -1.11 0.00 0.00 177.39 176.71 1r3r n ARG 365 N -1.89 0.37 0.00 1.96 1.74 -0.39 -4.96 116.66 113.49 1r3r n ARG 365 Ca 0.06 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1r3r n ARG 365 Cb 0.35 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1r3r n ARG 365 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05