#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3y s PRO 12 N 0.00 3.30 0.26 -1.08 0.02 -1.26 -4.92 135.00 131.31 1r3y s PRO 12 Ca 0.00 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.05 1r3y s PRO 12 Cb 0.00 -2.39 -0.10 0.00 0.02 0.00 0.00 34.50 32.03 1r3y s PRO 12 CO 0.00 -1.10 1.48 -2.00 -0.33 0.00 0.00 177.00 175.06 1r3y s GLU 13 N -2.76 4.23 0.09 5.54 2.12 -1.26 -4.50 118.70 122.15 1r3y s GLU 13 Ca 0.68 2.38 -0.31 0.00 0.36 0.00 0.00 54.97 58.08 1r3y s GLU 13 Cb -0.42 -3.09 -0.08 0.00 0.26 0.00 0.00 34.13 30.80 1r3y s GLU 13 CO 0.52 -0.48 1.51 -1.17 -0.54 0.00 0.00 175.26 175.09 1r3y s LEU 14 N -0.41 4.36 -0.16 2.70 2.96 -1.26 -4.36 118.68 122.51 1r3y s LEU 14 Ca 0.60 2.40 -0.10 0.00 -0.22 0.00 0.00 54.13 56.81 1r3y s LEU 14 Cb -0.44 -3.58 -0.23 0.00 0.50 0.00 0.00 46.19 42.45 1r3y s LEU 14 CO 0.45 -0.77 0.24 0.29 -1.32 0.00 0.00 176.35 175.23 1r3y n LYS 15 N 4.71 0.69 -3.96 1.98 5.02 0.70 -4.79 118.16 122.51 1r3y n LYS 15 Ca 0.14 0.33 -0.33 0.00 -2.02 0.00 0.00 58.31 56.43 1r3y n LYS 15 Cb 0.41 -1.69 -0.14 0.00 -0.02 0.00 0.00 35.03 33.59 1r3y n LYS 15 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1r3y s ASN 16 N -6.97 4.80 -0.15 4.39 2.47 -1.18 -4.96 114.94 113.34 1r3y s ASN 16 Ca -0.26 -1.67 0.16 0.00 0.42 0.00 0.00 52.86 51.50 1r3y s ASN 16 Cb 0.07 -1.67 0.56 0.00 -1.45 0.00 0.00 41.25 38.76 1r3y s ASN 16 CO 0.70 -0.32 1.47 -0.90 -3.72 0.00 0.00 177.10 174.32 1r3y n ASP 17 N 4.47 4.10 -0.26 -4.21 5.75 -1.26 -4.16 116.55 120.98 1r3y n ASP 17 Ca -0.07 -2.78 -0.01 0.00 -0.01 0.00 0.00 54.79 51.91 1r3y n ASP 17 Cb 0.42 -0.52 0.11 0.00 -1.03 0.00 0.00 41.12 40.10 1r3y n ASP 17 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1r3y h THR 18 N 2.40 1.02 -0.42 2.12 2.02 -1.93 -0.97 112.91 117.15 1r3y h THR 18 Ca 0.00 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 66.96 1r3y h THR 18 Cb 1.41 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 1r3y h THR 18 CO 0.23 0.15 0.11 0.15 0.37 0.00 0.00 175.52 176.52 1r3y h PHE 19 N 0.81 0.18 -0.40 3.16 3.57 -1.85 -0.69 116.94 121.73 1r3y h PHE 19 Ca 0.32 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 1r3y h PHE 19 Cb 0.14 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1r3y h PHE 19 CO -0.06 0.04 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.97 1r3y h LEU 20 N 0.25 0.72 -0.24 0.59 3.38 -1.59 -1.20 115.31 117.21 1r3y h LEU 20 Ca 0.20 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1r3y h LEU 20 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1r3y h LEU 20 CO -0.25 0.87 0.11 0.03 0.09 0.00 0.00 178.44 179.29 1r3y h ARG 21 N 0.55 0.23 -0.72 1.13 3.08 -1.08 -1.52 114.38 116.05 1r3y h ARG 21 Ca 0.11 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.21 1r3y h ARG 21 Cb 0.52 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 1r3y h ARG 21 CO 0.03 0.15 0.41 0.00 -1.07 0.00 0.00 179.97 179.49 1r3y h ALA 22 N 1.13 0.97 -0.35 0.04 0.00 -1.09 0.02 119.26 119.98 1r3y h ALA 22 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1r3y h ALA 22 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1r3y h ALA 22 CO -0.08 0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.36 1r3y h ALA 23 N 1.37 1.53 -0.00 0.00 0.00 -0.70 -1.24 119.26 120.21 1r3y h ALA 23 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1r3y h ALA 23 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r3y h ALA 23 CO -0.19 0.36 -0.15 0.91 0.00 0.00 0.00 179.25 180.18 1r3y n TRP 24 N -4.36 0.00 -0.23 0.00 7.02 -0.62 -4.61 117.44 114.64 1r3y n TRP 24 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1r3y n TRP 24 Cb 0.17 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1r3y n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1r3y n GLY 25 N 1.30 0.87 3.90 6.99 0.00 -0.47 -5.04 105.19 112.74 1r3y n GLY 25 Ca 0.14 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1r3y n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3y s GLU 26 N -0.57 3.64 0.30 1.61 2.02 -0.06 -4.76 118.70 120.88 1r3y s GLU 26 Ca 0.00 0.12 -0.29 0.00 0.02 0.00 0.00 54.97 54.82 1r3y s GLU 26 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 34.13 31.59 1r3y s GLU 26 CO 0.00 0.08 1.16 -2.00 0.02 0.00 0.00 175.26 174.52 1r3y s GLU 27 N -3.90 4.52 0.22 1.61 2.56 -1.26 -4.17 118.70 118.28 1r3y s GLU 27 Ca 0.46 1.92 0.03 0.00 0.00 0.00 0.00 54.97 57.38 1r3y s GLU 27 Cb -0.10 -3.11 -0.05 0.00 2.00 0.00 0.00 34.13 32.86 1r3y s GLU 27 CO 0.33 0.06 -0.01 0.95 -0.56 0.00 0.00 175.26 176.04 1r3y s THR 28 N -1.18 0.98 -0.31 -1.70 -4.23 -1.26 -4.90 115.64 103.04 1r3y s THR 28 Ca 0.47 -2.03 0.27 0.00 -1.18 0.00 0.00 61.69 59.22 1r3y s THR 28 Cb -0.34 -2.29 0.33 0.00 1.34 0.00 0.00 72.50 71.55 1r3y s THR 28 CO 0.44 -0.37 1.79 0.44 -0.54 0.00 0.00 174.62 176.38 1r3y h ASP 29 N 2.52 0.00 -5.07 3.99 3.32 -1.98 -3.46 116.42 115.74 1r3y h ASP 29 Ca -0.38 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.76 1r3y h ASP 29 Cb 1.22 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.71 1r3y h ASP 29 CO 0.64 0.00 0.28 -0.72 -1.72 0.00 0.00 179.24 177.72 1r3y s TYR 30 N -3.37 -0.18 -0.20 4.55 -0.85 -1.26 -4.61 117.35 111.43 1r3y s TYR 30 Ca 0.05 -0.25 -0.19 0.00 -0.52 0.00 0.00 57.07 56.16 1r3y s TYR 30 Cb 0.08 0.70 -0.03 0.00 0.38 0.00 0.00 41.96 43.09 1r3y s TYR 30 CO 0.57 -1.16 0.55 0.99 -1.52 0.00 0.00 175.55 174.97 1r3y s THR 31 N -3.79 5.09 0.53 -3.49 2.01 -1.26 -5.04 115.64 109.69 1r3y s THR 31 Ca 0.11 1.01 -0.17 0.00 0.31 0.00 0.00 61.69 62.95 1r3y s THR 31 Cb -0.05 -3.87 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1r3y s THR 31 CO 0.06 0.16 1.01 -2.16 -0.69 0.00 0.00 174.62 173.01 1r3y s PRO 32 N 1.69 3.73 -0.01 4.92 0.04 -1.26 -4.63 135.00 139.49 1r3y s PRO 32 Ca 0.25 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1r3y s PRO 32 Cb -0.16 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1r3y s PRO 32 CO 0.10 -0.46 -0.00 0.54 0.04 0.00 0.00 177.00 177.21 1r3y s VAL 33 N -2.47 0.07 0.28 -0.36 0.11 -1.26 -1.29 120.40 115.49 1r3y s VAL 33 Ca 0.62 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.68 1r3y s VAL 33 Cb -0.13 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 1r3y s VAL 33 CO 0.31 0.04 0.27 -1.66 -3.33 0.00 0.00 175.10 170.73 1r3y s TRP 34 N 0.20 1.34 -0.08 1.54 1.48 -1.03 -1.11 118.94 121.29 1r3y s TRP 34 Ca -0.02 -1.44 0.01 0.00 -1.06 0.00 0.00 56.10 53.59 1r3y s TRP 34 Cb -0.03 -0.50 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 1r3y s TRP 34 CO -0.01 -0.84 -0.08 0.00 -4.06 0.00 0.00 176.95 171.96 1r3y n MET 36 N 4.41 2.33 -2.22 0.00 2.81 -1.26 -1.44 117.12 121.74 1r3y n MET 36 Ca -0.18 0.82 -0.18 0.00 -1.81 0.00 0.00 57.70 56.36 1r3y n MET 36 Cb 0.51 -2.52 -0.02 0.00 -0.71 0.00 0.00 33.22 30.48 1r3y n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1r3y n ARG 37 N 1.67 -1.38 0.25 0.03 1.74 -1.26 -1.65 116.66 116.05 1r3y n ARG 37 Ca 0.08 0.89 0.08 0.00 -0.77 0.00 0.00 57.85 58.14 1r3y n ARG 37 Cb 0.35 -5.34 0.63 0.00 -1.02 0.00 0.00 32.46 27.08 1r3y n ARG 37 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1r3y h GLN 38 N 0.00 0.00 -4.80 5.56 3.07 -1.64 -3.08 115.11 114.22 1r3y h GLN 38 Ca -0.41 0.00 -0.69 0.00 0.09 0.00 0.00 58.65 57.64 1r3y h GLN 38 Cb 1.29 0.00 -0.19 0.00 0.08 0.00 0.00 27.48 28.66 1r3y h GLN 38 CO 0.50 0.07 0.26 0.00 0.09 0.00 0.00 178.83 179.75 1r3y s ALA 39 N -4.81 3.40 0.37 0.06 0.00 -1.26 -4.57 121.76 114.95 1r3y s ALA 39 Ca -0.04 -2.28 -0.16 0.00 0.00 0.00 0.00 51.96 49.47 1r3y s ALA 39 Cb 0.16 -3.64 0.06 0.00 0.00 0.00 0.00 23.12 19.70 1r3y s ALA 39 CO 0.66 -2.48 0.82 0.20 0.00 0.00 0.00 175.76 174.96 1r3y s GLY 40 N 3.56 0.35 0.28 0.00 0.00 -1.17 -5.05 107.32 105.29 1r3y s GLY 40 Ca 0.16 -0.72 0.23 0.00 0.00 0.00 0.00 44.72 44.39 1r3y s GLY 40 CO 0.04 0.01 1.69 0.54 0.00 0.00 0.00 173.10 175.39 1r3y n ARG 41 N -0.55 0.18 0.27 2.90 1.74 -1.26 -1.68 116.66 118.25 1r3y n ARG 41 Ca -0.08 0.49 0.18 0.00 -0.77 0.00 0.00 57.85 57.67 1r3y n ARG 41 Cb 0.60 -1.90 0.77 0.00 -1.02 0.00 0.00 32.46 30.91 1r3y n ARG 41 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1r3y h TYR 42 N 0.00 0.00 -3.47 -1.55 -0.00 -1.79 -3.41 116.97 106.74 1r3y h TYR 42 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 58.73 58.13 1r3y h TYR 42 Cb 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 36.88 1r3y h TYR 42 CO 0.00 0.00 0.08 -0.51 -0.00 0.00 0.00 178.16 177.73 1r3y s LEU 43 N -5.98 4.10 0.30 0.10 1.43 -0.68 -4.51 118.68 113.45 1r3y s LEU 43 Ca 0.00 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1r3y s LEU 43 Cb 0.10 -2.80 0.61 0.00 0.03 0.00 0.00 46.19 44.12 1r3y s LEU 43 CO 0.50 -0.29 1.85 -0.65 0.23 0.00 0.00 176.35 177.99 1r3y h PRO 44 N 7.70 0.91 0.00 1.29 0.11 -1.88 -1.96 132.00 138.18 1r3y h PRO 44 Ca -0.30 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 1r3y h PRO 44 Cb 1.14 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1r3y h PRO 44 CO 0.76 0.60 -0.24 1.05 -0.21 0.00 0.00 178.00 179.96 1r3y h GLU 45 N 0.94 0.00 0.02 1.05 9.09 -1.94 -2.33 114.58 121.42 1r3y h GLU 45 Ca 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.88 1r3y h GLU 45 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1r3y h GLU 45 CO -0.24 0.24 -0.01 0.35 0.05 0.00 0.00 179.01 179.40 1r3y h PHE 46 N 0.00 -0.03 -0.99 2.06 3.57 -1.62 -2.37 116.94 117.56 1r3y h PHE 46 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1r3y h PHE 46 Cb 0.56 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.26 1r3y h PHE 46 CO 0.00 0.23 0.65 0.00 -2.23 0.00 0.00 178.31 176.96 1r3y h ARG 47 N -0.28 1.24 -0.05 1.11 3.08 -1.36 0.47 114.38 118.60 1r3y h ARG 47 Ca -0.00 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1r3y h ARG 47 Cb 0.27 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1r3y h ARG 47 CO 0.01 0.82 0.03 1.49 -1.07 0.00 0.00 179.97 181.24 1r3y h GLU 48 N 1.28 0.06 -0.09 0.04 4.81 -1.38 -1.28 114.58 118.02 1r3y h GLU 48 Ca 0.39 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.48 1r3y h GLU 48 Cb -0.04 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1r3y h GLU 48 CO -0.11 0.11 -0.53 1.79 -0.73 0.00 0.00 179.01 179.54 1r3y h THR 49 N -0.00 1.36 0.00 0.32 1.35 -1.03 -2.66 112.91 112.25 1r3y h THR 49 Ca 0.02 -1.81 -0.04 0.00 -0.55 0.00 0.00 66.41 64.02 1r3y h THR 49 Cb 0.07 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 1r3y h THR 49 CO -0.00 0.54 -0.21 0.03 -0.25 0.00 0.00 175.52 175.62 1r3y h ARG 50 N 0.20 0.00 0.00 4.72 2.47 -0.83 -3.21 114.38 117.74 1r3y h ARG 50 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1r3y h ARG 50 Cb 1.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1r3y h ARG 50 CO 0.08 0.21 -0.08 0.00 0.56 0.00 0.00 179.97 180.75 1r3y h ALA 51 N 1.79 1.23 -0.22 0.04 0.00 -0.85 -3.14 119.26 118.11 1r3y h ALA 51 Ca -0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1r3y h ALA 51 Cb 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1r3y h ALA 51 CO 0.03 0.10 -0.32 0.00 0.00 0.00 0.00 179.25 179.05 1r3y h ALA 52 N 1.92 1.04 -2.41 0.00 0.00 -1.69 -3.46 119.26 114.66 1r3y h ALA 52 Ca -0.00 -0.38 -0.35 0.00 0.00 0.00 0.00 54.91 54.18 1r3y h ALA 52 Cb 0.28 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.81 1r3y h ALA 52 CO 0.01 0.59 -0.60 -0.65 0.00 0.00 0.00 179.25 178.60 1r3y s GLN 53 N -4.36 1.43 0.78 0.00 1.11 -1.19 -5.13 119.66 112.29 1r3y s GLN 53 Ca -0.07 -1.78 -0.11 0.00 0.01 0.00 0.00 55.36 53.41 1r3y s GLN 53 Cb 0.13 -0.09 0.06 0.00 -1.01 0.00 0.00 33.01 32.10 1r3y s GLN 53 CO 0.80 -0.37 1.08 0.16 0.01 0.00 0.00 175.29 176.97 1r3y s ASP 54 N -3.30 4.61 0.10 5.90 -4.77 -1.26 -4.82 116.67 113.12 1r3y s ASP 54 Ca 0.37 1.56 -0.29 0.00 -3.30 0.00 0.00 52.55 50.90 1r3y s ASP 54 Cb 0.07 -2.32 -0.12 0.00 -1.09 0.00 0.00 42.92 39.45 1r3y s ASP 54 CO 0.15 -1.93 1.64 0.15 0.70 0.00 0.00 175.17 175.88 1r3y h PHE 55 N -1.06 -0.69 0.00 2.11 3.57 -1.94 -0.73 116.94 118.20 1r3y h PHE 55 Ca -0.46 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1r3y h PHE 55 Cb 1.24 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 1r3y h PHE 55 CO 0.53 -0.38 -0.19 0.74 -2.23 0.00 0.00 178.31 176.78 1r3y h PHE 56 N -0.57 0.00 -0.22 0.41 -1.00 -1.96 -1.91 116.94 111.69 1r3y h PHE 56 Ca -0.01 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.61 1r3y h PHE 56 Cb 0.52 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.07 1r3y h PHE 56 CO -0.16 0.19 -0.52 0.77 -1.61 0.00 0.00 178.31 176.98 1r3y h SER 57 N 0.00 0.69 -0.55 2.17 0.02 -1.79 -2.67 113.55 111.41 1r3y h SER 57 Ca -0.00 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1r3y h SER 57 Cb 0.53 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1r3y h SER 57 CO 0.02 1.08 0.35 0.74 -1.14 0.00 0.00 176.83 177.89 1r3y h THR 58 N 0.49 1.11 0.00 -2.27 2.02 -0.41 -2.35 112.91 111.51 1r3y h THR 58 Ca 0.02 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1r3y h THR 58 Cb 1.07 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1r3y h THR 58 CO 0.10 0.13 -0.03 0.00 0.37 0.00 0.00 175.52 176.09 1r3y n ARG 60 N -4.22 1.58 -3.71 0.00 1.74 -0.89 -4.73 116.66 106.43 1r3y n ARG 60 Ca -0.03 -0.86 -0.38 0.00 -0.77 0.00 0.00 57.85 55.81 1r3y n ARG 60 Cb 0.12 -1.42 -0.12 0.00 -1.02 0.00 0.00 32.46 30.02 1r3y n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1r3y s SER 61 N -1.75 5.41 0.24 0.55 0.15 -0.79 -4.97 113.70 112.53 1r3y s SER 61 Ca 0.35 -1.30 -0.05 0.00 0.70 0.00 0.00 55.95 55.65 1r3y s SER 61 Cb 0.19 -1.90 0.41 0.00 -1.71 0.00 0.00 66.02 63.01 1r3y s SER 61 CO 0.29 -0.40 1.74 -0.65 1.20 0.00 0.00 173.24 175.42 1r3y h PRO 62 N 8.26 0.44 -0.64 5.44 0.11 -1.85 -1.13 132.00 142.63 1r3y h PRO 62 Ca -0.22 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 1r3y h PRO 62 Cb 1.08 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1r3y h PRO 62 CO 0.65 0.29 0.24 0.93 -0.21 0.00 0.00 178.00 179.90 1r3y h GLU 63 N 0.45 0.96 -0.68 1.05 4.39 -1.94 -0.84 114.58 117.96 1r3y h GLU 63 Ca 0.39 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 1r3y h GLU 63 Cb 0.55 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1r3y h GLU 63 CO -0.37 0.81 0.16 0.00 -1.16 0.00 0.00 179.01 178.45 1r3y h ALA 64 N 1.10 0.90 -0.49 3.43 0.00 -1.70 -1.55 119.26 120.94 1r3y h ALA 64 Ca 0.21 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1r3y h ALA 64 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1r3y h ALA 64 CO -0.02 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.80 1r3y h GLU 67 N 0.50 0.63 -0.77 0.00 4.57 -0.95 -1.67 114.58 116.89 1r3y h GLU 67 Ca 0.14 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1r3y h GLU 67 Cb -0.05 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 1r3y h GLU 67 CO -0.03 0.48 0.31 -0.07 -1.18 0.00 0.00 179.01 178.52 1r3y h LEU 68 N 0.60 1.06 -0.63 1.64 3.38 -1.14 -1.80 115.31 118.40 1r3y h LEU 68 Ca 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r3y h LEU 68 Cb 0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1r3y h LEU 68 CO -0.03 0.94 0.40 0.74 0.09 0.00 0.00 178.44 180.58 1r3y h THR 69 N 1.11 1.18 0.00 0.22 2.02 -0.73 -3.13 112.91 113.57 1r3y h THR 69 Ca 0.26 -0.37 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 1r3y h THR 69 Cb 0.21 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1r3y h THR 69 CO -0.02 0.18 -0.57 -0.07 0.37 0.00 0.00 175.52 175.40 1r3y h LEU 70 N 0.86 0.00 -0.50 2.58 3.38 -1.01 -3.38 115.31 117.24 1r3y h LEU 70 Ca 0.23 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.30 1r3y h LEU 70 Cb -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.59 1r3y h LEU 70 CO -0.05 0.57 -0.27 1.56 0.09 0.00 0.00 178.44 180.35 1r3y h GLN 71 N 0.00 -0.15 -0.34 1.13 4.20 -1.28 -1.03 115.11 117.64 1r3y h GLN 71 Ca -0.01 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r3y h GLN 71 Cb 1.12 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 1r3y h GLN 71 CO 0.07 -0.10 0.20 -1.00 -0.67 0.00 0.00 178.83 177.33 1r3y h PRO 72 N -0.16 0.46 0.00 1.46 0.13 -1.77 -2.37 132.00 129.76 1r3y h PRO 72 Ca 0.22 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.25 1r3y h PRO 72 Cb 0.51 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1r3y h PRO 72 CO -0.59 0.33 -0.33 -0.07 -0.23 0.00 0.00 178.00 177.11 1r3y h LEU 73 N 0.47 0.00 -1.28 1.56 3.38 -1.38 0.22 115.31 118.28 1r3y h LEU 73 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1r3y h LEU 73 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1r3y h LEU 73 CO -0.02 0.33 -0.26 0.03 0.09 0.00 0.00 178.44 178.60 1r3y h ARG 74 N 0.00 0.00 0.07 1.13 3.08 -0.95 -3.24 114.38 114.47 1r3y h ARG 74 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 1r3y h ARG 74 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1r3y h ARG 74 CO 0.04 0.26 -1.99 0.54 -1.07 0.00 0.00 179.97 177.75 1r3y n ARG 75 N -3.57 0.71 -4.17 0.04 1.74 -0.77 -5.00 116.66 105.64 1r3y n ARG 75 Ca -0.01 0.25 -0.16 0.00 -0.77 0.00 0.00 57.85 57.16 1r3y n ARG 75 Cb 0.40 -1.70 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 1r3y n ARG 75 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1r3y s PHE 76 N -2.56 0.68 -1.40 -1.55 0.40 -0.00 -5.01 117.98 108.53 1r3y s PHE 76 Ca -0.18 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 55.78 1r3y s PHE 76 Cb 0.07 -0.42 -0.06 0.00 0.51 0.00 0.00 43.02 43.13 1r3y s PHE 76 CO 0.77 -0.03 2.91 -0.35 0.70 0.00 0.00 175.22 179.22 1r3y n PRO 77 N 2.24 3.71 -2.20 0.24 -0.04 -1.26 -4.25 135.00 133.44 1r3y n PRO 77 Ca -0.17 -2.35 -0.36 0.00 -0.04 0.00 0.00 63.50 60.57 1r3y n PRO 77 Cb 0.56 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1r3y n PRO 77 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r3y s LEU 78 N -0.36 3.86 0.00 1.53 1.43 -1.26 -4.94 118.68 118.94 1r3y s LEU 78 Ca 0.66 2.30 0.27 0.00 -1.03 0.00 0.00 54.13 56.33 1r3y s LEU 78 Cb 0.20 -4.41 1.00 0.00 0.03 0.00 0.00 46.19 43.00 1r3y s LEU 78 CO -0.07 -1.16 1.71 0.47 0.23 0.00 0.00 176.35 177.54 1r3y n ASP 79 N -0.96 1.53 -3.65 2.29 8.00 -0.26 -4.87 116.55 118.63 1r3y n ASP 79 Ca 0.10 -1.54 -0.14 0.00 0.71 0.00 0.00 54.79 53.92 1r3y n ASP 79 Cb 0.49 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 1r3y n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r3y s ALA 80 N -1.96 -1.14 0.03 2.24 0.00 -1.26 -4.23 121.76 115.44 1r3y s ALA 80 Ca 0.37 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.89 1r3y s ALA 80 Cb 0.20 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1r3y s ALA 80 CO 0.32 -0.41 -0.02 0.00 0.00 0.00 0.00 175.76 175.66 1r3y s ALA 81 N -1.99 3.22 -0.10 0.00 0.00 -0.35 -4.90 121.76 117.63 1r3y s ALA 81 Ca -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1r3y s ALA 81 Cb -0.02 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 1r3y s ALA 81 CO 0.01 0.65 -0.21 -1.50 0.00 0.00 0.00 175.76 174.72 1r3y s ILE 82 N -1.12 2.36 0.38 0.00 2.07 -1.26 -0.28 121.20 123.35 1r3y s ILE 82 Ca 0.21 -0.92 -0.28 0.00 -1.41 0.00 0.00 60.65 58.25 1r3y s ILE 82 Cb -0.11 -1.92 -0.11 0.00 0.13 0.00 0.00 42.46 40.44 1r3y s ILE 82 CO 0.12 0.55 1.48 0.00 -1.91 0.00 0.00 174.94 175.18 1r3y n ILE 83 N 3.40 2.02 -2.49 2.00 0.13 -0.69 -4.76 119.36 118.97 1r3y n ILE 83 Ca -0.18 -0.50 -0.43 0.00 -1.10 0.00 0.00 62.75 60.54 1r3y n ILE 83 Cb 0.53 -1.97 -0.02 0.00 -0.84 0.00 0.00 39.64 37.34 1r3y n ILE 83 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 1r3y s PHE 84 N -1.12 2.86 0.00 9.51 5.36 -1.26 -4.93 117.98 128.40 1r3y s PHE 84 Ca 0.53 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1r3y s PHE 84 Cb -0.48 -3.75 0.00 0.00 -0.34 0.00 0.00 43.02 38.45 1r3y s PHE 84 CO 0.64 -1.42 0.00 0.45 -1.46 0.00 0.00 175.22 173.42 1r3y n SER 85 N 7.20 0.00 -3.81 6.13 2.88 -1.26 -4.85 113.62 119.91 1r3y n SER 85 Ca 0.14 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.56 1r3y n SER 85 Cb 0.46 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.84 1r3y n SER 85 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1r3y s ASP 86 N 2.00 -0.07 0.52 -3.46 2.15 -1.26 -5.02 116.67 111.53 1r3y s ASP 86 Ca 0.00 -0.16 0.24 0.00 0.43 0.00 0.00 52.55 53.06 1r3y s ASP 86 Cb 0.00 0.29 1.43 0.00 -0.30 0.00 0.00 42.92 44.35 1r3y s ASP 86 CO 0.00 -0.50 2.11 0.16 -0.17 0.00 0.00 175.17 176.77 1r3y h ILE 87 N 3.69 0.74 0.00 4.11 3.07 -1.95 -3.04 117.51 124.12 1r3y h ILE 87 Ca -0.31 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1r3y h ILE 87 Cb 1.19 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.95 1r3y h ILE 87 CO 0.44 0.09 0.00 0.18 -1.05 0.00 0.00 178.15 177.81 1r3y n LEU 88 N -3.95 0.00 0.28 0.16 4.77 -1.26 -3.04 117.00 113.96 1r3y n LEU 88 Ca -0.02 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1r3y n LEU 88 Cb 0.18 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.07 1r3y n LEU 88 CO 0.31 0.00 1.03 -0.37 -1.33 0.00 0.00 177.39 177.03 1r3y h VAL 89 N 0.00 0.52 0.09 4.08 -1.51 -1.96 -2.68 116.25 114.79 1r3y h VAL 89 Ca 0.00 -0.36 -0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1r3y h VAL 89 Cb 0.00 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1r3y h VAL 89 CO 0.00 0.08 -0.04 0.58 -1.23 0.00 0.00 177.57 176.95 1r3y h VAL 90 N 0.00 1.09 -0.55 7.19 2.07 -1.81 -0.89 116.25 123.36 1r3y h VAL 90 Ca -0.00 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.21 1r3y h VAL 90 Cb 0.23 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1r3y h VAL 90 CO 0.01 0.30 0.36 -0.65 0.02 0.00 0.00 177.57 177.61 1r3y h PRO 91 N -0.82 0.55 -0.55 1.57 0.10 -1.78 -1.15 132.00 129.92 1r3y h PRO 91 Ca -0.01 -0.03 -0.01 0.00 0.10 0.00 0.00 66.00 66.05 1r3y h PRO 91 Cb 0.58 -0.12 -0.03 0.00 0.10 0.00 0.00 31.00 31.53 1r3y h PRO 91 CO 0.02 0.36 0.31 0.37 0.10 0.00 0.00 178.00 179.17 1r3y h GLN 92 N 0.57 0.76 0.00 1.05 4.15 -1.44 -2.27 115.11 117.92 1r3y h GLN 92 Ca 0.23 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1r3y h GLN 92 Cb 0.19 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 1r3y h GLN 92 CO -0.06 0.57 -0.15 0.00 -1.93 0.00 0.00 178.83 177.26 1r3y h ALA 93 N 1.14 1.16 0.00 3.38 0.00 -0.39 -1.62 119.26 122.93 1r3y h ALA 93 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1r3y h ALA 93 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r3y h ALA 93 CO -0.03 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1r3y n LEU 94 N -3.49 0.00 0.00 0.00 4.77 -0.51 -4.81 117.00 112.96 1r3y n LEU 94 Ca -0.01 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1r3y n LEU 94 Cb 0.31 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1r3y n LEU 94 CO 0.31 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1r3y n GLY 95 N 1.08 1.08 3.78 -0.72 0.00 -0.61 -0.39 105.19 109.41 1r3y n GLY 95 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1r3y n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r3y s MET 96 N -0.30 4.38 0.03 1.61 -1.94 -0.89 -4.97 119.30 117.22 1r3y s MET 96 Ca 0.00 0.92 -0.27 0.00 -1.71 0.00 0.00 55.69 54.63 1r3y s MET 96 Cb 0.00 -3.28 -0.05 0.00 2.01 0.00 0.00 34.83 33.52 1r3y s MET 96 CO 0.00 0.53 0.87 -1.21 -0.01 0.00 0.00 175.02 175.20 1r3y s GLU 97 N -0.86 4.56 -0.02 2.03 0.41 -1.26 -4.11 118.70 119.45 1r3y s GLU 97 Ca 0.33 1.24 0.02 0.00 -0.41 0.00 0.00 54.97 56.14 1r3y s GLU 97 Cb -0.21 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.74 1r3y s GLU 97 CO 0.22 0.14 -0.07 0.08 -0.49 0.00 0.00 175.26 175.14 1r3y s VAL 98 N 0.38 0.57 0.27 2.63 1.01 -1.26 -4.10 120.40 119.90 1r3y s VAL 98 Ca 0.44 -0.26 0.11 0.00 0.00 0.00 0.00 61.98 62.28 1r3y s VAL 98 Cb -0.21 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1r3y s VAL 98 CO 0.25 0.18 -0.19 0.42 0.00 0.00 0.00 175.10 175.77 1r3y s THR 99 N 0.16 2.36 -0.26 3.92 -4.23 0.35 -4.97 115.64 112.96 1r3y s THR 99 Ca -0.02 -2.37 -0.05 0.00 -1.18 0.00 0.00 61.69 58.06 1r3y s THR 99 Cb -0.07 -2.26 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 1r3y s THR 99 CO -0.00 -0.43 0.03 -0.32 -0.54 0.00 0.00 174.62 173.36 1r3y s MET 100 N -3.52 3.24 -0.22 3.99 1.75 -1.26 -1.12 119.30 122.16 1r3y s MET 100 Ca 0.29 -0.74 -0.16 0.00 -1.25 0.00 0.00 55.69 53.83 1r3y s MET 100 Cb -0.04 -3.21 -0.04 0.00 2.84 0.00 0.00 34.83 34.38 1r3y s MET 100 CO 0.14 -0.32 0.41 0.08 -0.65 0.00 0.00 175.02 174.68 1r3y s VAL 101 N 1.49 5.18 -0.32 10.11 1.01 -0.52 -4.97 120.40 132.38 1r3y s VAL 101 Ca 0.04 0.71 -0.41 0.00 0.00 0.00 0.00 61.98 62.32 1r3y s VAL 101 Cb -0.16 -3.74 -0.16 0.00 0.00 0.00 0.00 36.38 32.32 1r3y s VAL 101 CO 0.00 0.21 1.74 -2.65 0.00 0.00 0.00 175.10 174.40 1r3y n PRO 102 N 4.75 0.98 -0.28 2.72 -0.02 -1.26 -1.56 135.00 140.33 1r3y n PRO 102 Ca -0.08 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1r3y n PRO 102 Cb 0.51 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1r3y n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r3y n GLY 103 N 4.24 1.39 0.00 -1.23 0.00 -1.26 -4.72 105.19 103.61 1r3y n GLY 103 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1r3y n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r3y n LYS 104 N -2.00 0.84 0.00 1.61 4.01 -0.63 -5.14 118.16 116.85 1r3y n LYS 104 Ca 0.00 -0.30 0.00 0.00 -0.51 0.00 0.00 58.31 57.50 1r3y n LYS 104 Cb 0.00 -0.77 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 1r3y n LYS 104 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1r3y n GLY 105 N 0.20 -1.86 3.77 0.72 0.00 -0.60 -4.85 105.19 102.58 1r3y n GLY 105 Ca 0.00 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 1r3y n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r3y s PRO 106 N 0.00 4.00 -0.01 1.61 0.04 -1.26 -1.44 135.00 137.94 1r3y s PRO 106 Ca 0.00 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1r3y s PRO 106 Cb 0.00 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1r3y s PRO 106 CO 0.00 -0.35 0.03 0.45 0.04 0.00 0.00 177.00 177.17 1r3y s SER 107 N -1.22 -0.00 -0.35 6.66 0.15 -0.27 -4.41 113.70 114.25 1r3y s SER 107 Ca 0.58 -0.01 -0.05 0.00 0.70 0.00 0.00 55.95 57.17 1r3y s SER 107 Cb -0.29 0.09 0.06 0.00 -1.71 0.00 0.00 66.02 64.16 1r3y s SER 107 CO 0.37 -0.07 0.12 -0.36 1.20 0.00 0.00 173.24 174.50 1r3y s PHE 108 N -0.23 3.32 0.37 3.44 0.40 -0.34 -0.50 117.98 124.43 1r3y s PHE 108 Ca -0.03 -1.68 0.35 0.00 -0.60 0.00 0.00 56.93 54.97 1r3y s PHE 108 Cb -0.02 -2.48 1.72 0.00 0.51 0.00 0.00 43.02 42.75 1r3y s PHE 108 CO -0.00 -0.80 2.13 -1.00 0.70 0.00 0.00 175.22 176.25 1r3y h PRO 109 N 8.18 0.00 -2.71 0.24 0.13 -1.86 -3.29 132.00 132.68 1r3y h PRO 109 Ca -0.21 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.31 1r3y h PRO 109 Cb 1.07 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.79 1r3y h PRO 109 CO 0.62 0.04 -0.68 0.39 -0.23 0.00 0.00 178.00 178.14 1r3y n GLU 110 N -3.24 1.63 -1.18 0.86 4.71 -1.26 -5.11 120.64 117.05 1r3y n GLU 110 Ca -0.01 -4.23 -0.31 0.00 -0.01 0.00 0.00 57.16 52.60 1r3y n GLU 110 Cb 0.22 -2.11 0.10 0.00 -1.01 0.00 0.00 31.44 28.64 1r3y n GLU 110 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1r3y s PRO 111 N -1.41 2.06 -0.15 3.49 0.04 -1.24 -4.93 135.00 132.86 1r3y s PRO 111 Ca 0.30 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 1r3y s PRO 111 Cb 0.03 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1r3y s PRO 111 CO -0.14 -1.80 1.34 -0.51 0.04 0.00 0.00 177.00 175.94 1r3y s LEU 112 N -6.02 4.20 0.00 -3.56 1.43 -0.15 -4.87 118.68 109.70 1r3y s LEU 112 Ca 0.62 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 1r3y s LEU 112 Cb -0.18 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1r3y s LEU 112 CO 0.56 -0.81 0.00 0.54 0.23 0.00 0.00 176.35 176.88 1r3y n ARG 113 N 6.74 1.61 -4.33 1.70 5.12 -1.26 -4.41 116.66 121.82 1r3y n ARG 113 Ca 0.15 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.89 1r3y n ARG 113 Cb 0.44 -0.90 -0.10 0.00 -1.16 0.00 0.00 32.46 30.75 1r3y n ARG 113 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1r3y s GLU 114 N -1.63 1.33 0.45 5.56 -1.05 -1.26 -5.04 118.70 117.06 1r3y s GLU 114 Ca 0.00 -1.66 0.11 0.00 -0.15 0.00 0.00 54.97 53.27 1r3y s GLU 114 Cb 0.00 -0.70 1.02 0.00 -0.44 0.00 0.00 34.13 34.01 1r3y s GLU 114 CO 0.00 -0.05 2.08 1.49 0.95 0.00 0.00 175.26 179.73 1r3y h GLU 115 N 2.49 0.34 0.00 -4.83 4.81 -1.99 -0.97 114.58 114.43 1r3y h GLU 115 Ca -0.38 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1r3y h GLU 115 Cb 1.22 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1r3y h GLU 115 CO 0.65 0.23 -0.05 0.37 -0.73 0.00 0.00 179.01 179.48 1r3y h GLN 116 N 0.35 0.00 0.00 1.92 4.15 -2.03 -2.22 115.11 117.28 1r3y h GLN 116 Ca 0.12 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1r3y h GLN 116 Cb 0.04 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1r3y h GLN 116 CO -0.03 0.05 -0.01 -0.44 -1.93 0.00 0.00 178.83 176.47 1r3y h ASP 117 N 0.00 0.00 0.40 -0.69 3.32 -1.58 -2.21 116.42 115.67 1r3y h ASP 117 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1r3y h ASP 117 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1r3y h ASP 117 CO 0.01 0.01 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.43 1r3y h LEU 118 N 0.00 0.00 -2.11 1.55 3.38 -1.55 -2.79 115.31 113.79 1r3y h LEU 118 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1r3y h LEU 118 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1r3y h LEU 118 CO 0.00 0.04 -0.05 -0.33 0.09 0.00 0.00 178.44 178.18 1r3y h GLU 119 N 0.00 0.00 0.00 1.13 5.08 -1.60 -2.37 114.58 116.82 1r3y h GLU 119 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r3y h GLU 119 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1r3y h GLU 119 CO 0.00 0.05 0.00 0.07 -1.00 0.00 0.00 179.01 178.14 1r3y h ARG 120 N 0.00 0.00 -6.97 2.33 0.11 -1.71 -3.46 114.38 104.68 1r3y h ARG 120 Ca -0.00 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.59 1r3y h ARG 120 Cb 0.12 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.22 1r3y h ARG 120 CO 0.01 0.00 0.43 -0.51 0.10 0.00 0.00 179.97 179.99 1r3y s LEU 121 N -4.84 4.12 0.78 0.08 1.43 -0.89 -4.81 118.68 114.55 1r3y s LEU 121 Ca 0.08 2.10 -0.14 0.00 -1.03 0.00 0.00 54.13 55.14 1r3y s LEU 121 Cb 0.10 -4.19 0.07 0.00 0.03 0.00 0.00 46.19 42.20 1r3y s LEU 121 CO 0.55 -0.57 1.19 -0.13 0.23 0.00 0.00 176.35 177.62 1r3y s ARG 122 N -2.52 1.87 0.19 1.70 0.52 0.47 -4.97 118.95 116.21 1r3y s ARG 122 Ca 0.59 1.68 -0.32 0.00 -0.52 0.00 0.00 55.73 57.16 1r3y s ARG 122 Cb -0.23 -1.81 -0.11 0.00 0.52 0.00 0.00 34.95 33.31 1r3y s ARG 122 CO 0.29 -2.02 1.67 0.34 0.02 0.00 0.00 175.30 175.60 1r3y s ASP 123 N -2.26 6.46 0.58 0.23 -1.08 -1.26 -4.88 116.67 114.45 1r3y s ASP 123 Ca 0.72 2.77 0.28 0.00 -0.52 0.00 0.00 52.55 55.80 1r3y s ASP 123 Cb -0.27 -2.60 1.76 0.00 -1.46 0.00 0.00 42.92 40.35 1r3y s ASP 123 CO 0.49 -0.92 2.24 1.55 0.52 0.00 0.00 175.17 179.04 1r3y h PRO 124 N 6.92 0.00 0.00 4.34 0.13 -1.90 -1.90 132.00 139.59 1r3y h PRO 124 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1r3y h PRO 124 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1r3y h PRO 124 CO 0.94 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 179.11 1r3y n GLU 125 N -3.89 0.19 0.00 0.86 1.02 -1.26 -2.32 120.64 115.23 1r3y n GLU 125 Ca -0.03 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.73 1r3y n GLU 125 Cb 0.09 -1.92 0.13 0.00 -0.02 0.00 0.00 31.44 29.73 1r3y n GLU 125 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1r3y n VAL 126 N -2.29 0.00 -0.27 2.62 0.24 -0.71 -4.53 118.33 113.39 1r3y n VAL 126 Ca 0.01 -0.11 -0.06 0.00 -2.04 0.00 0.00 64.34 62.14 1r3y n VAL 126 Cb 0.17 0.74 0.05 0.00 -1.47 0.00 0.00 33.84 33.33 1r3y n VAL 126 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1r3y h VAL 127 N 1.03 1.24 -0.70 3.34 2.07 -1.58 -2.74 116.25 118.90 1r3y h VAL 127 Ca 0.00 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1r3y h VAL 127 Cb 0.57 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1r3y h VAL 127 CO 0.00 0.29 0.47 0.00 0.02 0.00 0.00 177.57 178.34 1r3y h ALA 128 N 1.17 1.50 0.00 1.67 0.00 -1.80 -0.32 119.26 121.49 1r3y h ALA 128 Ca 0.25 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1r3y h ALA 128 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1r3y h ALA 128 CO -0.03 0.46 -0.18 0.66 0.00 0.00 0.00 179.25 180.16 1r3y h SER 129 N 0.95 0.00 1.42 0.00 4.64 -1.79 -1.70 113.55 117.07 1r3y h SER 129 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1r3y h SER 129 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1r3y h SER 129 CO -0.06 0.18 0.00 -0.33 -0.87 0.00 0.00 176.83 175.76 1r3y h GLU 130 N 0.00 0.00 -0.42 4.77 4.39 -0.96 -3.28 114.58 119.08 1r3y h GLU 130 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1r3y h GLU 130 Cb 0.35 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1r3y h GLU 130 CO 0.02 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.16 1r3y n LEU 131 N -2.35 4.84 -0.22 1.33 4.77 -0.64 -4.63 117.00 120.09 1r3y n LEU 131 Ca 0.05 -2.99 0.21 0.00 -0.03 0.00 0.00 56.01 53.25 1r3y n LEU 131 Cb 0.41 -0.62 0.55 0.00 -2.33 0.00 0.00 43.42 41.43 1r3y n LEU 131 CO 0.29 0.66 1.23 1.23 -1.33 0.00 0.00 177.39 179.47 1r3y h GLY 132 N 2.88 0.71 1.60 -0.72 0.00 -1.62 -0.87 103.07 105.05 1r3y h GLY 132 Ca 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1r3y h GLY 132 CO 0.37 -0.01 0.20 0.10 0.00 0.00 0.00 176.54 177.20 1r3y h TYR 133 N 0.33 0.51 -0.29 5.60 -0.00 -1.91 -0.92 116.97 120.29 1r3y h TYR 133 Ca 0.46 -0.00 -0.06 0.00 0.00 0.00 0.00 58.73 59.12 1r3y h TYR 133 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 36.73 37.81 1r3y h TYR 133 CO -0.00 0.37 -0.05 0.28 -0.00 0.00 0.00 178.16 178.76 1r3y h VAL 134 N 0.53 1.27 -0.80 -0.90 2.07 -1.45 -2.07 116.25 114.92 1r3y h VAL 134 Ca 0.14 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1r3y h VAL 134 Cb 0.04 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1r3y h VAL 134 CO -0.02 0.34 0.46 -0.26 0.02 0.00 0.00 177.57 178.11 1r3y h PHE 135 N 0.33 1.06 -0.82 1.57 0.05 -1.36 -1.03 116.94 116.74 1r3y h PHE 135 Ca 0.08 -0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.84 1r3y h PHE 135 Cb 0.52 -0.35 -0.04 0.00 2.00 0.00 0.00 35.95 38.08 1r3y h PHE 135 CO 0.05 0.72 0.44 1.96 -0.18 0.00 0.00 178.31 181.29 1r3y h GLN 136 N 1.10 1.14 -0.63 1.51 4.20 -1.06 -1.25 115.11 120.12 1r3y h GLN 136 Ca 0.28 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1r3y h GLN 136 Cb -0.02 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 1r3y h GLN 136 CO -0.05 0.85 0.27 0.00 -0.67 0.00 0.00 178.83 179.23 1r3y h ALA 137 N 1.23 0.81 -0.26 3.87 0.00 -0.70 -2.01 119.26 122.20 1r3y h ALA 137 Ca 0.29 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1r3y h ALA 137 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1r3y h ALA 137 CO -0.04 0.41 -0.02 0.82 0.00 0.00 0.00 179.25 180.41 1r3y h ILE 138 N 0.87 1.27 -0.29 0.00 2.04 -0.82 -0.83 117.51 119.74 1r3y h ILE 138 Ca 0.21 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1r3y h ILE 138 Cb 0.17 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1r3y h ILE 138 CO -0.02 0.31 0.13 0.74 0.00 0.00 0.00 178.15 179.31 1r3y h THR 139 N 0.25 1.16 -0.31 -0.27 2.02 -1.13 0.12 112.91 114.74 1r3y h THR 139 Ca 0.07 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.81 1r3y h THR 139 Cb 0.46 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1r3y h THR 139 CO 0.02 0.16 0.15 0.25 0.37 0.00 0.00 175.52 176.47 1r3y h LEU 140 N 0.33 0.21 -0.64 2.58 5.85 -1.29 -1.34 115.31 121.01 1r3y h LEU 140 Ca 0.10 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1r3y h LEU 140 Cb 0.14 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1r3y h LEU 140 CO -0.01 0.16 0.11 0.74 -0.34 0.00 0.00 178.44 179.10 1r3y h THR 141 N 0.31 1.26 -0.79 1.05 2.02 -0.90 -0.25 112.91 115.60 1r3y h THR 141 Ca 0.13 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.32 1r3y h THR 141 Cb 0.06 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1r3y h THR 141 CO -0.10 0.38 0.52 -0.09 0.37 0.00 0.00 175.52 176.60 1r3y h ARG 142 N 0.97 1.02 0.03 6.66 9.65 -0.77 0.73 114.38 132.67 1r3y h ARG 142 Ca 0.19 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1r3y h ARG 142 Cb 0.42 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1r3y h ARG 142 CO 0.01 0.68 -0.02 1.96 2.80 0.00 0.00 179.97 185.40 1r3y h GLN 143 N 1.05 -0.04 0.00 0.20 4.20 -0.85 -3.17 115.11 116.50 1r3y h GLN 143 Ca 0.30 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.92 1r3y h GLN 143 Cb -0.09 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1r3y h GLN 143 CO -0.08 0.16 -0.44 0.00 -0.67 0.00 0.00 178.83 177.80 1r3y h ARG 144 N -0.25 0.00 0.00 1.46 2.47 -0.78 -2.36 114.38 114.92 1r3y h ARG 144 Ca -0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1r3y h ARG 144 Cb 0.23 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1r3y h ARG 144 CO 0.01 0.44 -0.16 -0.07 0.56 0.00 0.00 179.97 180.75 1r3y h LEU 145 N 0.00 0.00 1.14 3.04 3.38 -0.87 -3.46 115.31 118.54 1r3y h LEU 145 Ca -0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1r3y h LEU 145 Cb 0.87 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.67 1r3y h LEU 145 CO 0.06 0.16 -0.60 0.00 0.09 0.00 0.00 178.44 178.15 1r3y n ALA 146 N -2.40 -0.94 -1.00 1.53 0.00 -0.89 -1.34 120.51 115.47 1r3y n ALA 146 Ca -0.02 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1r3y n ALA 146 Cb 0.24 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 15.92 1r3y n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3y n GLY 147 N -1.49 0.49 0.05 0.00 0.00 -1.26 -4.84 105.19 98.14 1r3y n GLY 147 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1r3y n GLY 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1r3y h ARG 148 N 1.04 0.02 -3.71 1.61 2.43 -1.52 0.20 114.38 114.46 1r3y h ARG 148 Ca 0.00 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1r3y h ARG 148 Cb 0.08 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.52 1r3y h ARG 148 CO 0.00 0.01 -0.20 0.14 -1.51 0.00 0.00 179.97 178.42 1r3y s VAL 149 N -6.19 0.04 0.56 0.20 -7.23 -1.26 -3.08 120.40 103.44 1r3y s VAL 149 Ca -0.13 -1.26 -0.18 0.00 -1.81 0.00 0.00 61.98 58.59 1r3y s VAL 149 Cb 0.07 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 1r3y s VAL 149 CO 0.67 -0.18 1.09 -2.84 -0.31 0.00 0.00 175.10 173.53 1r3y s PRO 150 N -3.96 3.35 -0.22 4.82 0.02 -1.26 -4.76 135.00 133.00 1r3y s PRO 150 Ca 0.17 1.44 -0.08 0.00 0.02 0.00 0.00 61.00 62.55 1r3y s PRO 150 Cb 0.01 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 1r3y s PRO 150 CO 0.02 -0.82 0.08 -1.17 -0.33 0.00 0.00 177.00 174.78 1r3y s LEU 151 N -4.04 3.73 -0.19 -5.54 2.96 -1.26 -1.21 118.68 113.13 1r3y s LEU 151 Ca 0.69 -0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 54.45 1r3y s LEU 151 Cb -0.20 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 1r3y s LEU 151 CO 0.30 0.08 0.27 -0.63 -1.32 0.00 0.00 176.35 175.05 1r3y s ILE 152 N 0.93 5.30 0.50 6.68 1.01 0.62 -0.65 121.20 135.59 1r3y s ILE 152 Ca 0.04 0.47 0.03 0.00 0.00 0.00 0.00 60.65 61.19 1r3y s ILE 152 Cb -0.14 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1r3y s ILE 152 CO 0.03 0.35 0.70 -0.83 0.00 0.00 0.00 174.94 175.18 1r3y s GLY 153 N 0.75 1.80 0.14 6.18 0.00 -0.06 -1.70 107.32 114.43 1r3y s GLY 153 Ca 0.14 -1.37 -0.24 0.00 0.00 0.00 0.00 44.72 43.25 1r3y s GLY 153 CO 0.04 -1.14 0.76 -0.11 0.00 0.00 0.00 173.10 172.66 1r3y s PHE 154 N -2.61 -0.35 0.21 1.90 -0.12 -1.26 -1.01 117.98 114.74 1r3y s PHE 154 Ca 0.55 0.09 -0.17 0.00 -0.05 0.00 0.00 56.93 57.34 1r3y s PHE 154 Cb -0.10 0.60 0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1r3y s PHE 154 CO 0.37 -0.85 0.54 0.00 -0.05 0.00 0.00 175.22 175.22 1r3y s ALA 155 N -3.55 -0.84 0.33 1.99 0.00 -0.94 -4.94 121.76 113.81 1r3y s ALA 155 Ca 0.06 -0.35 -0.25 0.00 0.00 0.00 0.00 51.96 51.43 1r3y s ALA 155 Cb -0.02 0.89 -0.10 0.00 0.00 0.00 0.00 23.12 23.89 1r3y s ALA 155 CO -0.05 -0.84 0.93 0.20 0.00 0.00 0.00 175.76 176.00 1r3y s GLY 156 N -2.90 2.72 0.67 0.00 0.00 -1.26 -1.19 107.32 105.36 1r3y s GLY 156 Ca 0.12 0.48 -0.15 0.00 0.00 0.00 0.00 44.72 45.17 1r3y s GLY 156 CO 0.00 0.89 1.13 0.00 0.00 0.00 0.00 173.10 175.12 1r3y s ALA 157 N -1.71 2.41 0.17 3.20 0.00 -0.25 -4.77 121.76 120.82 1r3y s ALA 157 Ca 0.52 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.94 1r3y s ALA 157 Cb -0.17 -3.35 0.11 0.00 0.00 0.00 0.00 23.12 19.71 1r3y s ALA 157 CO 0.22 -1.36 1.66 -1.35 0.00 0.00 0.00 175.76 174.92 1r3y h PRO 158 N 0.04 -0.02 -0.51 0.00 0.11 -1.92 -1.19 132.00 128.51 1r3y h PRO 158 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1r3y h PRO 158 Cb 1.26 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1r3y h PRO 158 CO 0.53 -0.02 0.32 2.35 -0.21 0.00 0.00 178.00 180.98 1r3y h TRP 159 N -0.03 0.66 -0.78 0.65 2.91 -1.90 0.53 115.95 118.00 1r3y h TRP 159 Ca 0.20 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.20 1r3y h TRP 159 Cb 0.33 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.73 1r3y h TRP 159 CO -0.38 0.44 0.39 1.15 -1.03 0.00 0.00 178.44 179.01 1r3y h THR 160 N 0.69 1.24 -0.64 2.65 2.02 -1.77 -0.44 112.91 116.66 1r3y h THR 160 Ca 0.19 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 1r3y h THR 160 Cb -0.04 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1r3y h THR 160 CO -0.04 0.28 0.05 -0.07 0.37 0.00 0.00 175.52 176.12 1r3y h LEU 161 N 1.10 1.05 -0.82 2.58 3.38 -0.90 -2.45 115.31 119.24 1r3y h LEU 161 Ca 0.27 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1r3y h LEU 161 Cb 0.09 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 1r3y h LEU 161 CO -0.04 1.07 0.47 -0.03 0.09 0.00 0.00 178.44 180.01 1r3y h MET 162 N 1.01 0.77 -0.84 1.13 4.05 -0.08 -1.95 114.93 119.02 1r3y h MET 162 Ca 0.19 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1r3y h MET 162 Cb 0.50 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.09 1r3y h MET 162 CO 0.02 0.51 0.50 1.79 0.23 0.00 0.00 176.91 179.96 1r3y h THR 163 N 0.79 1.23 -0.56 -0.77 1.35 -0.63 -1.01 112.91 113.32 1r3y h THR 163 Ca 0.40 -0.51 -0.10 0.00 -0.55 0.00 0.00 66.41 65.65 1r3y h THR 163 Cb 0.36 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 66.82 1r3y h THR 163 CO -0.25 0.24 -0.03 1.88 -0.25 0.00 0.00 175.52 177.12 1r3y h TYR 164 N 1.15 1.10 -0.22 4.73 -1.99 -1.24 0.30 116.97 120.81 1r3y h TYR 164 Ca 0.30 -0.20 -0.08 0.00 2.00 0.00 0.00 58.73 60.75 1r3y h TYR 164 Cb -0.04 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.39 1r3y h TYR 164 CO -0.00 1.00 -0.19 0.52 -0.00 0.00 0.00 178.16 179.49 1r3y h MET 165 N 0.88 0.39 0.06 4.88 2.86 -0.79 0.58 114.93 123.80 1r3y h MET 165 Ca 0.15 -0.12 -0.31 0.00 -2.06 0.00 0.00 59.70 57.37 1r3y h MET 165 Cb 0.58 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1r3y h MET 165 CO 0.03 0.57 -1.67 0.28 1.06 0.00 0.00 176.91 177.18 1r3y n VAL 166 N -4.18 1.66 0.14 -2.22 0.31 -0.44 -0.98 118.33 112.62 1r3y n VAL 166 Ca -0.00 -0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 63.97 1r3y n VAL 166 Cb 0.35 -1.88 0.23 0.00 -0.91 0.00 0.00 33.84 31.62 1r3y n VAL 166 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1r3y h GLU 167 N -0.47 0.05 0.00 5.55 4.39 -0.98 -3.40 114.58 119.71 1r3y h GLU 167 Ca -0.40 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1r3y h GLU 167 Cb 1.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1r3y h GLU 167 CO -0.07 0.56 0.00 0.41 -1.16 0.00 0.00 179.01 178.75 1r3y n GLY 168 N -0.01 0.50 0.00 -3.84 0.00 0.19 -4.92 105.19 97.11 1r3y n GLY 168 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1r3y n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r3y n GLY 169 N -2.87 -0.99 3.67 -0.02 0.00 -1.18 -1.20 105.19 102.60 1r3y n GLY 169 Ca 0.00 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 1r3y n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r3y s GLY 170 N 0.00 1.67 -0.03 -0.02 0.00 -1.26 -4.60 107.32 103.08 1r3y s GLY 170 Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 44.72 44.91 1r3y s GLY 170 CO 0.00 0.87 0.52 -0.45 0.00 0.00 0.00 173.10 174.04 1r3y s SER 171 N -2.81 -0.46 0.21 1.64 0.15 -1.26 -5.05 113.70 106.13 1r3y s SER 171 Ca 0.66 0.44 0.24 0.00 0.70 0.00 0.00 55.95 57.99 1r3y s SER 171 Cb -0.22 0.44 0.27 0.00 -1.71 0.00 0.00 66.02 64.81 1r3y s SER 171 CO 0.58 -0.54 1.32 0.77 1.20 0.00 0.00 173.24 176.57 1r3y h SER 172 N 3.37 0.00 0.00 5.45 4.64 -2.05 -3.40 113.55 121.56 1r3y h SER 172 Ca -0.28 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1r3y h SER 172 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1r3y h SER 172 CO 0.39 0.04 -0.59 0.35 -0.87 0.00 0.00 176.83 176.16 1r3y n THR 173 N -2.49 0.00 -3.40 2.95 -2.24 -1.26 -5.02 114.28 102.83 1r3y n THR 173 Ca 0.02 -0.11 -0.24 0.00 -2.27 0.00 0.00 64.05 61.45 1r3y n THR 173 Cb 0.49 0.56 0.01 0.00 -2.10 0.00 0.00 70.33 69.29 1r3y n THR 173 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1r3y n MET 174 N -1.09 -3.90 -0.21 -0.78 0.00 -1.26 -4.87 117.12 105.00 1r3y n MET 174 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 57.70 58.25 1r3y n MET 174 Cb 0.00 -5.32 0.20 0.00 0.00 0.00 0.00 33.22 28.10 1r3y n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1r3y h ALA 175 N 0.97 1.31 -0.12 3.04 0.00 -1.97 0.61 119.26 123.11 1r3y h ALA 175 Ca -0.47 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 1r3y h ALA 175 Cb 1.32 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1r3y h ALA 175 CO 0.56 0.55 -0.80 1.96 0.00 0.00 0.00 179.25 181.52 1r3y h GLN 176 N 0.99 0.76 -0.38 0.00 4.20 -1.95 -0.63 115.11 118.11 1r3y h GLN 176 Ca 0.25 -0.66 -0.15 0.00 0.06 0.00 0.00 58.65 58.16 1r3y h GLN 176 Cb 0.06 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1r3y h GLN 176 CO -0.04 1.26 -0.33 0.00 -0.67 0.00 0.00 178.83 179.05 1r3y h ALA 177 N 0.52 0.55 -0.09 3.87 0.00 -1.85 -2.48 119.26 119.77 1r3y h ALA 177 Ca -0.07 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 1r3y h ALA 177 Cb 1.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1r3y h ALA 177 CO 0.16 0.61 -0.42 0.87 0.00 0.00 0.00 179.25 180.48 1r3y h LYS 178 N 0.70 0.21 -0.79 0.00 1.57 -0.89 -2.42 116.57 114.94 1r3y h LYS 178 Ca 0.06 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1r3y h LYS 178 Cb 0.92 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 1r3y h LYS 178 CO 0.09 0.60 0.40 -0.09 -0.57 0.00 0.00 179.45 179.87 1r3y h ARG 179 N 0.17 1.13 -0.54 3.15 2.43 -0.98 -1.92 114.38 117.83 1r3y h ARG 179 Ca 0.01 -0.15 0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1r3y h ARG 179 Cb 0.82 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.10 1r3y h ARG 179 CO 0.06 0.86 0.20 -1.49 -1.51 0.00 0.00 179.97 178.10 1r3y h TRP 180 N 1.11 0.36 -0.97 2.20 4.06 -0.97 0.30 115.95 122.03 1r3y h TRP 180 Ca 0.27 0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.31 1r3y h TRP 180 Cb 0.09 -0.08 -0.07 0.00 -1.00 0.00 0.00 29.16 28.10 1r3y h TRP 180 CO 0.01 0.12 0.62 -0.07 -3.56 0.00 0.00 178.44 175.56 1r3y h LEU 181 N 0.39 1.00 0.12 -4.49 3.38 -1.02 0.27 115.31 114.96 1r3y h LEU 181 Ca 0.26 0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.92 1r3y h LEU 181 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1r3y h LEU 181 CO -0.25 0.64 -1.65 1.88 0.09 0.00 0.00 178.44 179.15 1r3y h TYR 182 N 1.14 0.47 0.00 1.13 -1.99 -0.79 -3.32 116.97 113.61 1r3y h TYR 182 Ca 0.42 -0.34 -0.19 0.00 2.00 0.00 0.00 58.73 60.61 1r3y h TYR 182 Cb 0.16 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.84 1r3y h TYR 182 CO -0.01 1.46 -2.17 1.04 -0.00 0.00 0.00 178.16 178.48 1r3y n GLN 183 N -3.45 0.67 -2.78 4.88 6.02 0.99 -4.59 117.38 119.12 1r3y n GLN 183 Ca -0.20 -0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 56.50 1r3y n GLN 183 Cb 1.05 -1.53 -0.01 0.00 1.02 0.00 0.00 30.24 30.77 1r3y n GLN 183 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1r3y n ARG 184 N -2.53 2.33 -0.34 -1.09 1.74 0.94 -4.95 116.66 112.76 1r3y n ARG 184 Ca -0.19 -4.07 -0.00 0.00 -0.77 0.00 0.00 57.85 52.82 1r3y n ARG 184 Cb 0.88 -1.89 0.16 0.00 -1.02 0.00 0.00 32.46 30.58 1r3y n ARG 184 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1r3y h PRO 185 N 2.87 1.21 -0.26 5.56 0.13 -1.64 -0.60 132.00 139.27 1r3y h PRO 185 Ca 0.12 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 1r3y h PRO 185 Cb 0.89 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1r3y h PRO 185 CO 0.69 0.80 -0.08 1.96 -0.23 0.00 0.00 178.00 181.14 1r3y h GLN 186 N 1.24 0.50 -0.53 0.86 4.20 -1.92 -0.87 115.11 118.60 1r3y h GLN 186 Ca 0.36 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1r3y h GLN 186 Cb -0.09 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1r3y h GLN 186 CO -0.09 0.73 0.21 0.00 -0.67 0.00 0.00 178.83 179.02 1r3y h ALA 187 N 0.76 1.38 -0.15 3.87 0.00 -1.88 -0.87 119.26 122.37 1r3y h ALA 187 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1r3y h ALA 187 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1r3y h ALA 187 CO 0.03 0.47 0.03 0.77 0.00 0.00 0.00 179.25 180.55 1r3y h SER 188 N 0.76 0.22 -0.73 0.00 0.02 -0.87 -1.14 113.55 111.81 1r3y h SER 188 Ca 0.18 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1r3y h SER 188 Cb 0.15 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 1r3y h SER 188 CO -0.02 0.40 0.43 0.45 -1.14 0.00 0.00 176.83 176.95 1r3y h HIS 189 N 0.04 0.98 -0.30 3.45 -0.00 -0.89 -0.62 115.15 117.81 1r3y h HIS 189 Ca 0.05 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 1r3y h HIS 189 Cb 0.26 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 1r3y h HIS 189 CO 0.01 0.67 0.15 0.37 -0.00 0.00 0.00 177.93 179.13 1r3y h GLN 190 N 1.03 0.31 -0.29 2.45 4.15 -0.85 -1.04 115.11 120.86 1r3y h GLN 190 Ca 0.27 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.65 1r3y h GLN 190 Cb -0.02 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1r3y h GLN 190 CO -0.05 0.20 0.09 1.25 -1.93 0.00 0.00 178.83 178.40 1r3y h LEU 191 N 0.32 0.41 -1.27 -2.39 5.85 -0.79 -1.48 115.31 115.96 1r3y h LEU 191 Ca 0.12 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1r3y h LEU 191 Cb 0.03 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1r3y h LEU 191 CO -0.08 0.50 0.28 -0.07 -0.34 0.00 0.00 178.44 178.73 1r3y h LEU 192 N 0.31 0.70 -0.37 2.25 3.38 -1.01 -0.36 115.31 120.22 1r3y h LEU 192 Ca 0.09 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1r3y h LEU 192 Cb 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1r3y h LEU 192 CO -0.00 0.59 -0.34 -0.09 0.09 0.00 0.00 178.44 178.68 1r3y h ARG 193 N 0.79 0.88 -0.47 1.13 9.65 -0.97 -1.10 114.38 124.29 1r3y h ARG 193 Ca 0.20 -0.46 0.02 0.00 -1.10 0.00 0.00 59.98 58.64 1r3y h ARG 193 Cb 0.06 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 1r3y h ARG 193 CO -0.03 1.10 0.28 0.82 2.80 0.00 0.00 179.97 184.94 1r3y h ILE 194 N 0.69 1.05 -0.63 1.20 2.04 -0.80 0.95 117.51 122.00 1r3y h ILE 194 Ca 0.06 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1r3y h ILE 194 Cb 0.93 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1r3y h ILE 194 CO 0.09 0.10 0.11 -0.07 0.00 0.00 0.00 178.15 178.38 1r3y h LEU 195 N 0.56 1.00 -0.28 1.44 3.38 -0.92 -1.54 115.31 118.94 1r3y h LEU 195 Ca 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1r3y h LEU 195 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1r3y h LEU 195 CO -0.09 1.00 0.12 0.74 0.09 0.00 0.00 178.44 180.31 1r3y h THR 196 N 0.96 1.17 0.00 0.22 2.02 -0.77 0.84 112.91 117.35 1r3y h THR 196 Ca 0.19 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1r3y h THR 196 Cb 0.42 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1r3y h THR 196 CO 0.01 0.17 -0.13 0.44 0.37 0.00 0.00 175.52 176.39 1r3y h ASP 197 N 0.31 0.00 0.20 4.18 3.32 -0.56 -1.84 116.42 122.03 1r3y h ASP 197 Ca 0.09 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.86 1r3y h ASP 197 Cb 0.16 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.74 1r3y h ASP 197 CO -0.01 0.13 -1.22 0.00 -1.72 0.00 0.00 179.24 176.42 1r3y h ALA 198 N 1.87 -0.12 -0.66 3.45 0.00 -0.91 -3.38 119.26 119.50 1r3y h ALA 198 Ca -0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 54.91 54.05 1r3y h ALA 198 Cb 0.34 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1r3y h ALA 198 CO 0.02 0.58 0.12 -0.07 0.00 0.00 0.00 179.25 179.90 1r3y h LEU 199 N -0.02 1.02 0.58 0.00 3.38 -0.38 -2.93 115.31 116.97 1r3y h LEU 199 Ca -0.21 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1r3y h LEU 199 Cb 1.96 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 42.44 1r3y h LEU 199 CO 0.23 1.00 -0.28 0.58 0.09 0.00 0.00 178.44 180.06 1r3y h VAL 200 N 1.01 0.42 -0.04 1.22 2.07 -1.53 0.45 116.25 119.84 1r3y h VAL 200 Ca 0.20 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 1r3y h VAL 200 Cb 0.41 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1r3y h VAL 200 CO 0.01 0.01 -0.16 1.55 0.02 0.00 0.00 177.57 178.99 1r3y h PRO 201 N -0.82 0.07 -0.16 1.57 0.13 -1.75 -1.15 132.00 129.89 1r3y h PRO 201 Ca -0.08 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1r3y h PRO 201 Cb 0.61 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1r3y h PRO 201 CO 0.13 0.24 0.02 -0.92 -0.23 0.00 0.00 178.00 177.24 1r3y h TYR 202 N 0.07 0.28 -0.42 1.56 3.20 -1.27 -0.96 116.97 119.42 1r3y h TYR 202 Ca 0.01 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1r3y h TYR 202 Cb 0.34 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1r3y h TYR 202 CO 0.00 0.44 0.19 -0.07 -1.64 0.00 0.00 178.16 177.08 1r3y h LEU 203 N 0.05 0.57 -0.47 2.82 3.38 -0.60 -0.70 115.31 120.34 1r3y h LEU 203 Ca 0.05 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1r3y h LEU 203 Cb 0.31 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1r3y h LEU 203 CO 0.00 0.55 0.24 0.58 0.09 0.00 0.00 178.44 179.91 1r3y h VAL 204 N 0.54 0.97 -0.92 1.22 2.07 -1.21 -2.14 116.25 116.79 1r3y h VAL 204 Ca 0.14 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1r3y h VAL 204 Cb 0.14 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 1r3y h VAL 204 CO -0.02 0.09 0.60 1.23 0.02 0.00 0.00 177.57 179.49 1r3y h GLY 205 N 0.48 1.34 1.08 2.17 0.00 -0.75 -0.56 103.07 106.84 1r3y h GLY 205 Ca 0.21 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1r3y h GLY 205 CO -0.14 0.31 0.35 1.46 0.00 0.00 0.00 176.54 178.52 1r3y h GLN 206 N 1.05 1.17 -0.28 4.80 4.20 -0.50 -0.32 115.11 125.24 1r3y h GLN 206 Ca 0.39 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 1r3y h GLN 206 Cb 0.18 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1r3y h GLN 206 CO -0.15 0.93 -0.19 0.28 -0.67 0.00 0.00 178.83 179.04 1r3y h VAL 207 N 1.15 1.30 -0.99 -0.54 2.07 -0.90 -0.54 116.25 117.81 1r3y h VAL 207 Ca 0.27 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1r3y h VAL 207 Cb 0.17 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1r3y h VAL 207 CO -0.03 0.42 0.64 0.58 0.02 0.00 0.00 177.57 179.20 1r3y h VAL 208 N 0.37 1.09 0.00 2.57 2.07 -0.88 -1.16 116.25 120.31 1r3y h VAL 208 Ca 0.06 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1r3y h VAL 208 Cb 0.72 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1r3y h VAL 208 CO 0.05 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1r3y n ALA 209 N -2.37 1.88 0.00 1.67 0.00 -0.15 -4.89 120.51 116.65 1r3y n ALA 209 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1r3y n ALA 209 Cb 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1r3y n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3y n GLY 210 N 0.47 0.14 3.75 0.00 0.00 -0.44 -2.98 105.19 106.14 1r3y n GLY 210 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1r3y n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3y s ALA 211 N -0.99 3.66 -1.86 4.61 0.00 -0.25 -4.83 121.76 122.09 1r3y s ALA 211 Ca 0.00 1.47 0.17 0.00 0.00 0.00 0.00 51.96 53.60 1r3y s ALA 211 Cb 0.00 -3.60 0.07 0.00 0.00 0.00 0.00 23.12 19.59 1r3y s ALA 211 CO 0.00 -0.89 0.96 1.04 0.00 0.00 0.00 175.76 176.88 1r3y n GLN 212 N 1.86 1.52 -3.51 0.00 6.02 0.18 -4.50 117.38 118.94 1r3y n GLN 212 Ca 0.06 -1.20 -0.09 0.00 -0.01 0.00 0.00 57.00 55.75 1r3y n GLN 212 Cb 0.39 -1.31 -0.02 0.00 1.02 0.00 0.00 30.24 30.32 1r3y n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r3y s ALA 213 N -1.66 -1.70 -0.02 -1.58 0.00 -1.20 -4.28 121.76 111.33 1r3y s ALA 213 Ca 0.17 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.83 1r3y s ALA 213 Cb 0.14 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.89 1r3y s ALA 213 CO 0.30 -0.77 -0.06 -0.51 0.00 0.00 0.00 175.76 174.73 1r3y s LEU 214 N -2.64 1.72 -0.09 0.00 1.43 -0.73 -0.88 118.68 117.49 1r3y s LEU 214 Ca 0.05 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1r3y s LEU 214 Cb -0.01 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.82 1r3y s LEU 214 CO -0.09 0.02 -0.22 -1.58 0.23 0.00 0.00 176.35 174.71 1r3y s GLN 215 N 0.29 2.91 -0.23 1.70 0.74 -0.18 -0.52 119.66 124.38 1r3y s GLN 215 Ca -0.04 -0.86 -0.07 0.00 0.05 0.00 0.00 55.36 54.45 1r3y s GLN 215 Cb -0.08 -2.30 -0.03 0.00 1.10 0.00 0.00 33.01 31.70 1r3y s GLN 215 CO -0.00 0.27 0.07 -1.17 -0.55 0.00 0.00 175.29 173.90 1r3y s LEU 216 N 0.14 3.57 -0.49 3.68 2.96 0.21 -2.21 118.68 126.54 1r3y s LEU 216 Ca -0.12 -0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.52 1r3y s LEU 216 Cb -0.16 -1.94 0.07 0.00 0.50 0.00 0.00 46.19 44.66 1r3y s LEU 216 CO 0.07 0.04 0.47 -0.36 -1.32 0.00 0.00 176.35 175.25 1r3y s PHE 217 N 1.18 3.18 -1.15 5.38 0.40 -0.33 -1.60 117.98 125.04 1r3y s PHE 217 Ca 0.04 -0.81 -0.05 0.00 -0.60 0.00 0.00 56.93 55.51 1r3y s PHE 217 Cb -0.14 -3.31 0.25 0.00 0.51 0.00 0.00 43.02 40.33 1r3y s PHE 217 CO 0.03 -0.88 1.77 -1.91 0.70 0.00 0.00 175.22 174.94 1r3y n GLU 218 N 5.52 4.52 0.28 0.44 4.07 0.31 -1.09 120.64 134.68 1r3y n GLU 218 Ca -0.11 -4.19 0.16 0.00 -0.06 0.00 0.00 57.16 52.96 1r3y n GLU 218 Cb 0.44 -2.61 0.75 0.00 -0.06 0.00 0.00 31.44 29.96 1r3y n GLU 218 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1r3y h SER 219 N 5.12 0.00 -0.44 4.31 0.02 -1.90 -2.52 113.55 118.15 1r3y h SER 219 Ca 0.39 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.21 1r3y h SER 219 Cb 0.51 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 1r3y h SER 219 CO 1.39 0.05 0.07 1.41 -1.14 0.00 0.00 176.83 178.62 1r3y n HIS 220 N -3.22 1.46 -0.28 3.45 8.25 -1.26 -4.50 115.22 119.12 1r3y n HIS 220 Ca -0.00 -1.20 0.01 0.00 -0.26 0.00 0.00 57.72 56.26 1r3y n HIS 220 Cb 0.27 -0.49 0.21 0.00 1.12 0.00 0.00 29.99 31.10 1r3y n HIS 220 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r3y h ALA 221 N 1.79 1.43 0.00 -1.41 0.00 -1.63 -3.15 119.26 116.29 1r3y h ALA 221 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r3y h ALA 221 Cb 1.80 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1r3y h ALA 221 CO 0.44 0.51 0.00 0.78 0.00 0.00 0.00 179.25 180.98 1r3y h GLY 222 N 1.11 0.00 2.00 0.00 0.00 -1.64 -2.02 103.07 102.53 1r3y h GLY 222 Ca 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 1r3y h GLY 222 CO -0.08 0.00 -0.10 0.45 0.00 0.00 0.00 176.54 176.81 1r3y h HIS 223 N 0.00 0.00 -3.25 5.60 3.86 -1.87 -3.44 115.15 116.06 1r3y h HIS 223 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 1r3y h HIS 223 Cb 0.39 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 1r3y h HIS 223 CO 0.00 0.10 -0.11 -0.51 0.86 0.00 0.00 177.93 178.27 1r3y s LEU 224 N -6.39 4.39 0.00 2.43 1.43 -0.76 -5.07 118.68 114.70 1r3y s LEU 224 Ca 0.02 1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 54.14 1r3y s LEU 224 Cb 0.08 -3.10 0.09 0.00 0.03 0.00 0.00 46.19 43.29 1r3y s LEU 224 CO 0.61 0.16 0.54 0.61 0.23 0.00 0.00 176.35 178.50 1r3y n GLY 225 N 1.07 -0.39 0.22 -3.19 0.00 -1.26 -4.80 105.19 96.84 1r3y n GLY 225 Ca -0.07 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 1r3y n GLY 225 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r3y h PRO 226 N 0.00 0.29 0.17 1.61 0.11 -1.96 -1.16 132.00 131.06 1r3y h PRO 226 Ca -0.17 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.91 1r3y h PRO 226 Cb 0.54 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1r3y h PRO 226 CO 0.15 0.19 -0.08 1.96 -0.21 0.00 0.00 178.00 180.01 1r3y h GLN 227 N 0.30 -0.22 -0.45 1.05 4.20 -1.99 -0.78 115.11 117.22 1r3y h GLN 227 Ca 0.29 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 1r3y h GLN 227 Cb 0.39 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1r3y h GLN 227 CO -0.34 -0.09 -0.06 -0.07 -0.67 0.00 0.00 178.83 177.60 1r3y h LEU 228 N -0.30 0.75 -0.38 1.46 3.38 -1.92 -2.41 115.31 115.89 1r3y h LEU 228 Ca -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1r3y h LEU 228 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1r3y h LEU 228 CO 0.04 0.85 0.15 0.15 0.09 0.00 0.00 178.44 179.72 1r3y h PHE 229 N 0.71 0.58 -0.30 1.13 3.57 -1.01 -0.08 116.94 121.54 1r3y h PHE 229 Ca 0.13 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1r3y h PHE 229 Cb 0.52 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1r3y h PHE 229 CO 0.03 0.53 0.12 -0.91 -2.23 0.00 0.00 178.31 175.85 1r3y h ASN 230 N 0.47 0.37 0.30 0.41 2.35 -0.98 0.42 115.58 118.91 1r3y h ASN 230 Ca 0.13 -0.03 -0.33 0.00 -0.55 0.00 0.00 56.30 55.51 1r3y h ASN 230 Cb 0.20 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.49 1r3y h ASN 230 CO -0.01 0.34 -1.62 0.11 -1.65 0.00 0.00 177.43 174.60 1r3y h LYS 231 N 0.41 0.38 0.00 0.81 1.57 -0.99 -3.39 116.57 115.36 1r3y h LYS 231 Ca 0.10 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1r3y h LYS 231 Cb 0.08 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1r3y h LYS 231 CO -0.01 1.28 -0.84 1.19 -0.57 0.00 0.00 179.45 180.50 1r3y n PHE 232 N -3.58 0.00 -0.05 -1.35 3.01 -0.08 -4.72 117.46 110.69 1r3y n PHE 232 Ca -0.20 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.16 1r3y n PHE 232 Cb 1.07 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 40.47 1r3y n PHE 232 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r3y n ALA 233 N -1.44 2.05 -0.24 4.37 0.00 -0.55 -4.66 120.51 120.04 1r3y n ALA 233 Ca -0.00 -0.48 0.03 0.00 0.00 0.00 0.00 53.44 52.98 1r3y n ALA 233 Cb 0.04 0.25 0.15 0.00 0.00 0.00 0.00 19.45 19.89 1r3y n ALA 233 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r3y h LEU 234 N -0.49 0.36 -1.15 0.00 5.85 -1.19 -2.01 115.31 116.68 1r3y h LEU 234 Ca -0.20 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1r3y h LEU 234 Cb 0.95 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1r3y h LEU 234 CO -0.12 0.19 0.38 -0.65 -0.34 0.00 0.00 178.44 177.90 1r3y h PRO 235 N 0.52 0.97 -0.07 5.25 0.11 -1.82 -1.09 132.00 135.87 1r3y h PRO 235 Ca 0.37 -0.10 -0.22 0.00 0.11 0.00 0.00 66.00 66.16 1r3y h PRO 235 Cb 0.47 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.39 1r3y h PRO 235 CO -0.33 0.71 -0.84 1.88 -0.21 0.00 0.00 178.00 179.21 1r3y h TYR 236 N 0.98 0.79 -0.55 0.65 -1.99 -1.78 -1.31 116.97 113.76 1r3y h TYR 236 Ca 0.25 -0.38 0.06 0.00 2.00 0.00 0.00 58.73 60.66 1r3y h TYR 236 Cb 0.02 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 38.59 1r3y h TYR 236 CO 0.01 1.19 0.26 0.82 -0.00 0.00 0.00 178.16 180.44 1r3y h ILE 237 N 0.36 0.91 -0.42 -2.88 2.04 -1.05 -0.67 117.51 115.80 1r3y h ILE 237 Ca -0.06 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1r3y h ILE 237 Cb 1.46 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1r3y h ILE 237 CO 0.16 0.09 0.11 0.03 0.00 0.00 0.00 178.15 178.54 1r3y h ARG 238 N 0.50 0.66 -0.64 2.37 3.08 -1.14 -2.99 114.38 116.23 1r3y h ARG 238 Ca 0.25 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1r3y h ARG 238 Cb 0.20 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1r3y h ARG 238 CO -0.20 0.66 0.19 -0.44 -1.07 0.00 0.00 179.97 179.12 1r3y h ASP 239 N 0.53 0.90 -0.06 7.04 3.45 -0.92 -1.79 116.42 125.58 1r3y h ASP 239 Ca 0.13 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.44 1r3y h ASP 239 Cb 0.29 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1r3y h ASP 239 CO -0.00 0.85 0.03 0.58 -1.57 0.00 0.00 179.24 179.13 1r3y h VAL 240 N 0.94 1.07 -0.48 -1.35 2.07 -1.03 -0.83 116.25 116.64 1r3y h VAL 240 Ca 0.21 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1r3y h VAL 240 Cb 0.27 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1r3y h VAL 240 CO -0.01 0.06 0.14 0.00 0.02 0.00 0.00 177.57 177.78 1r3y h ALA 241 N 0.96 0.63 -0.31 1.67 0.00 -1.37 -1.12 119.26 119.72 1r3y h ALA 241 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1r3y h ALA 241 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1r3y h ALA 241 CO -0.00 0.28 0.16 -0.22 0.00 0.00 0.00 179.25 179.47 1r3y h LYS 242 N 0.64 0.44 -0.16 0.00 3.64 -1.10 -2.32 116.57 117.70 1r3y h LYS 242 Ca 0.15 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.29 1r3y h LYS 242 Cb 0.28 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1r3y h LYS 242 CO -0.00 0.40 -0.66 1.96 -2.27 0.00 0.00 179.45 178.88 1r3y h GLN 243 N 0.37 0.62 0.06 1.90 4.20 -1.10 -1.94 115.11 119.21 1r3y h GLN 243 Ca 0.11 -0.45 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1r3y h GLN 243 Cb 0.10 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1r3y h GLN 243 CO -0.01 1.07 -0.03 0.28 -0.67 0.00 0.00 178.83 179.46 1r3y h VAL 244 N 0.45 1.00 -0.92 -0.54 2.07 -1.12 -1.03 116.25 116.16 1r3y h VAL 244 Ca -0.02 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1r3y h VAL 244 Cb 1.24 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1r3y h VAL 244 CO 0.13 0.05 0.60 0.11 0.02 0.00 0.00 177.57 178.48 1r3y h LYS 245 N -0.18 1.15 -0.32 1.57 1.57 -1.37 -1.67 116.57 117.32 1r3y h LYS 245 Ca -0.01 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1r3y h LYS 245 Cb 0.15 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1r3y h LYS 245 CO 0.01 0.76 0.08 0.00 -0.57 0.00 0.00 179.45 179.74 1r3y h ALA 246 N 1.37 0.42 -0.23 3.86 0.00 -1.13 -1.55 119.26 122.00 1r3y h ALA 246 Ca 0.36 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1r3y h ALA 246 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1r3y h ALA 246 CO -0.11 0.08 -0.25 0.00 0.00 0.00 0.00 179.25 178.97 1r3y h ARG 247 N 0.36 0.43 -0.47 0.00 3.08 -0.99 -1.02 114.38 115.77 1r3y h ARG 247 Ca 0.10 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1r3y h ARG 247 Cb 0.28 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1r3y h ARG 247 CO -0.00 0.66 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.42 1r3y h LEU 248 N 0.39 0.88 -0.25 3.04 3.38 -0.97 -1.32 115.31 120.46 1r3y h LEU 248 Ca 0.06 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1r3y h LEU 248 Cb 0.65 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1r3y h LEU 248 CO 0.05 1.01 0.12 0.03 0.09 0.00 0.00 178.44 179.74 1r3y h ARG 249 N 0.73 0.35 -0.11 1.13 3.08 -1.01 -0.56 114.38 118.00 1r3y h ARG 249 Ca 0.13 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1r3y h ARG 249 Cb 0.60 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1r3y h ARG 249 CO 0.04 0.35 0.01 0.93 -1.07 0.00 0.00 179.97 180.22 1r3y h GLU 250 N 0.27 0.15 -0.00 0.04 5.08 -0.98 -0.03 114.58 119.10 1r3y h GLU 250 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1r3y h GLU 250 Cb 0.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1r3y h GLU 250 CO -0.01 0.17 -0.02 0.00 -1.00 0.00 0.00 179.01 178.14 1r3y n ALA 251 N -2.51 2.66 -0.59 3.43 0.00 -0.52 -4.90 120.51 118.07 1r3y n ALA 251 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1r3y n ALA 251 Cb 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1r3y n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3y n GLY 252 N 1.13 0.68 3.80 0.00 0.00 -0.02 -5.05 105.19 105.73 1r3y n GLY 252 Ca 0.20 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1r3y n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3y s LEU 253 N 0.00 3.77 0.52 0.99 1.43 -0.24 -5.02 118.68 120.13 1r3y s LEU 253 Ca 0.00 -0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 52.68 1r3y s LEU 253 Cb 0.00 -2.33 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 1r3y s LEU 253 CO 0.00 -0.00 1.01 0.00 0.23 0.00 0.00 176.35 177.59 1r3y s ALA 254 N -2.02 2.92 0.53 4.21 0.00 -1.26 -4.08 121.76 122.05 1r3y s ALA 254 Ca 0.32 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.45 1r3y s ALA 254 Cb -0.08 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 1r3y s ALA 254 CO 0.24 -0.37 1.10 -1.25 0.00 0.00 0.00 175.76 175.48 1r3y s PRO 255 N -3.76 3.49 0.25 0.00 0.04 -1.26 -4.98 135.00 128.77 1r3y s PRO 255 Ca 0.63 1.54 0.11 0.00 0.04 0.00 0.00 61.00 63.31 1r3y s PRO 255 Cb -0.13 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1r3y s PRO 255 CO 0.28 -0.73 -0.15 0.14 0.04 0.00 0.00 177.00 176.58 1r3y s VAL 256 N -1.83 2.76 0.34 -0.36 -7.23 -1.26 -5.06 120.40 107.76 1r3y s VAL 256 Ca 0.71 -2.14 -0.28 0.00 -1.81 0.00 0.00 61.98 58.46 1r3y s VAL 256 Cb -0.22 -2.43 -0.10 0.00 0.56 0.00 0.00 36.38 34.20 1r3y s VAL 256 CO 0.25 -0.31 1.22 -2.16 -0.31 0.00 0.00 175.10 173.79 1r3y s PRO 257 N -3.32 4.33 -0.05 4.82 0.04 -1.26 -4.86 135.00 134.71 1r3y s PRO 257 Ca 0.28 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.41 1r3y s PRO 257 Cb -0.06 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.47 1r3y s PRO 257 CO 0.15 -0.14 -0.23 -1.64 0.04 0.00 0.00 177.00 175.19 1r3y s MET 258 N -1.85 2.43 -0.09 4.56 -1.94 -1.26 -1.77 119.30 119.38 1r3y s MET 258 Ca 0.50 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.64 1r3y s MET 258 Cb -0.36 -2.18 -0.02 0.00 2.01 0.00 0.00 34.83 34.29 1r3y s MET 258 CO 0.47 0.48 -0.17 0.42 -0.01 0.00 0.00 175.02 176.21 1r3y s ILE 259 N -0.39 2.78 -0.19 2.53 1.01 0.32 -1.40 121.20 125.86 1r3y s ILE 259 Ca 0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1r3y s ILE 259 Cb -0.12 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1r3y s ILE 259 CO 0.02 0.55 -0.08 -0.51 0.00 0.00 0.00 174.94 174.92 1r3y s ILE 260 N -0.05 3.21 -0.30 2.92 1.10 -0.60 -0.62 121.20 126.86 1r3y s ILE 260 Ca -0.04 -0.57 -0.00 0.00 -0.51 0.00 0.00 60.65 59.53 1r3y s ILE 260 Cb -0.14 -2.42 0.06 0.00 0.15 0.00 0.00 42.46 40.10 1r3y s ILE 260 CO 0.04 0.46 -0.01 0.12 -2.11 0.00 0.00 174.94 173.44 1r3y s PHE 261 N 1.10 3.30 -0.46 3.50 5.36 -0.62 -0.88 117.98 129.27 1r3y s PHE 261 Ca 0.01 -2.05 -0.04 0.00 -0.96 0.00 0.00 56.93 53.88 1r3y s PHE 261 Cb -0.15 -2.15 0.12 0.00 -0.34 0.00 0.00 43.02 40.50 1r3y s PHE 261 CO -0.01 -0.84 0.28 0.00 -1.46 0.00 0.00 175.22 173.19 1r3y s ALA 262 N 1.20 3.29 0.27 11.12 0.00 -1.26 -0.53 121.76 135.85 1r3y s ALA 262 Ca -0.05 -2.68 -0.30 0.00 0.00 0.00 0.00 51.96 48.94 1r3y s ALA 262 Cb -0.20 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.26 1r3y s ALA 262 CO -0.02 -1.88 1.37 0.21 0.00 0.00 0.00 175.76 175.43 1r3y s LYS 263 N 0.96 4.32 -1.56 0.00 2.20 -0.97 -1.67 119.74 123.02 1r3y s LYS 263 Ca 0.09 2.23 -0.02 0.00 -0.36 0.00 0.00 55.97 57.92 1r3y s LYS 263 Cb -0.23 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 32.99 1r3y s LYS 263 CO -0.03 -0.31 0.18 -0.25 -0.36 0.00 0.00 175.35 174.58 1r3y n ASP 264 N 1.79 -5.46 -2.13 1.43 8.00 -1.26 -2.74 116.55 116.18 1r3y n ASP 264 Ca 0.04 -0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.22 1r3y n ASP 264 Cb 0.41 -4.52 0.14 0.00 -0.02 0.00 0.00 41.12 37.14 1r3y n ASP 264 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r3y n GLY 265 N -1.11 5.10 0.34 0.44 0.00 -0.67 -3.94 105.19 105.34 1r3y n GLY 265 Ca -0.18 -1.59 0.17 0.00 0.00 0.00 0.00 46.02 44.42 1r3y n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1r3y h HIS 266 N 1.39 0.99 0.00 1.61 2.07 -1.91 0.16 115.15 119.47 1r3y h HIS 266 Ca 0.57 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 58.12 1r3y h HIS 266 Cb 1.98 -0.28 0.00 0.00 2.57 0.00 0.00 27.41 31.68 1r3y h HIS 266 CO 1.45 0.07 0.00 1.97 -3.07 0.00 0.00 177.93 178.34 1r3y n PHE 267 N -4.89 0.51 0.05 6.12 1.16 -1.26 -3.17 117.46 115.98 1r3y n PHE 267 Ca 0.26 0.19 0.05 0.00 -1.87 0.00 0.00 57.45 56.08 1r3y n PHE 267 Cb 0.73 -0.80 0.10 0.00 -1.61 0.00 0.00 39.48 37.90 1r3y n PHE 267 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1r3y n ALA 268 N -1.67 2.27 -0.29 1.98 0.00 0.04 -4.76 120.51 118.08 1r3y n ALA 268 Ca 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 53.44 52.51 1r3y n ALA 268 Cb 0.26 -0.35 0.07 0.00 0.00 0.00 0.00 19.45 19.43 1r3y n ALA 268 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1r3y h LEU 269 N 1.76 0.96 -0.26 0.00 3.38 -1.53 0.79 115.31 120.41 1r3y h LEU 269 Ca 0.00 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1r3y h LEU 269 Cb 0.58 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1r3y h LEU 269 CO 0.00 0.73 0.15 -0.08 0.09 0.00 0.00 178.44 179.34 1r3y h GLU 270 N 1.10 0.31 -0.42 1.13 4.81 -1.86 -1.59 114.58 118.06 1r3y h GLU 270 Ca 0.29 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1r3y h GLU 270 Cb -0.05 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1r3y h GLU 270 CO -0.06 0.20 -0.15 0.93 -0.73 0.00 0.00 179.01 179.21 1r3y h GLU 271 N 0.32 0.77 -0.04 1.92 5.08 -1.75 -2.94 114.58 117.94 1r3y h GLU 271 Ca 0.10 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1r3y h GLU 271 Cb -0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1r3y h GLU 271 CO -0.05 0.88 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.36 1r3y h LEU 272 N 0.69 0.08 -0.25 1.33 3.38 -0.57 -2.01 115.31 117.95 1r3y h LEU 272 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1r3y h LEU 272 Cb 0.64 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1r3y h LEU 272 CO 0.04 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.06 1r3y n ALA 273 N -2.46 1.71 0.92 1.53 0.00 -0.62 -2.60 120.51 118.98 1r3y n ALA 273 Ca -0.02 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1r3y n ALA 273 Cb 0.45 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.61 1r3y n ALA 273 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r3y n GLN 274 N -1.79 1.47 -0.07 0.00 6.02 -0.77 -4.71 117.38 117.53 1r3y n GLN 274 Ca 0.03 -1.10 0.10 0.00 -0.01 0.00 0.00 57.00 56.03 1r3y n GLN 274 Cb 0.21 -1.42 0.38 0.00 1.02 0.00 0.00 30.24 30.43 1r3y n GLN 274 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r3y n ALA 275 N 0.17 2.53 -0.33 -1.58 0.00 -1.07 -4.87 120.51 115.37 1r3y n ALA 275 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1r3y n ALA 275 Cb 0.45 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1r3y n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3y n GLY 276 N 1.08 0.92 3.60 0.00 0.00 -1.26 -4.51 105.19 105.02 1r3y n GLY 276 Ca 0.16 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1r3y n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r3y s TYR 277 N -2.00 3.08 0.29 1.61 1.51 -1.26 -4.86 117.35 115.72 1r3y s TYR 277 Ca 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 1r3y s TYR 277 Cb 0.00 -1.84 0.46 0.00 -0.11 0.00 0.00 41.96 40.46 1r3y s TYR 277 CO 0.00 0.27 1.74 0.93 -1.11 0.00 0.00 175.55 177.38 1r3y h GLU 278 N 5.75 0.41 -4.95 -0.62 3.07 -1.56 -3.44 114.58 113.23 1r3y h GLU 278 Ca -0.43 -0.15 -0.51 0.00 -0.50 0.00 0.00 59.36 57.76 1r3y h GLU 278 Cb 1.19 -0.02 -0.31 0.00 -0.84 0.00 0.00 28.75 28.76 1r3y h GLU 278 CO 0.58 0.65 -0.82 0.08 -1.40 0.00 0.00 179.01 178.10 1r3y s VAL 279 N -4.45 1.16 -0.23 3.13 1.01 -0.87 -1.48 120.40 118.67 1r3y s VAL 279 Ca -0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1r3y s VAL 279 Cb 0.14 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1r3y s VAL 279 CO 0.78 0.35 -0.03 -0.69 0.00 0.00 0.00 175.10 175.51 1r3y s VAL 280 N 0.17 3.44 0.16 2.92 1.01 0.02 -1.56 120.40 126.55 1r3y s VAL 280 Ca -0.05 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 1r3y s VAL 280 Cb -0.11 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 1r3y s VAL 280 CO 0.02 0.37 0.67 -0.83 0.00 0.00 0.00 175.10 175.33 1r3y s GLY 281 N 1.48 2.68 0.04 4.51 0.00 -0.06 -1.50 107.32 114.46 1r3y s GLY 281 Ca 0.05 0.13 0.08 0.00 0.00 0.00 0.00 44.72 44.99 1r3y s GLY 281 CO -0.02 0.53 -0.23 1.08 0.00 0.00 0.00 173.10 174.46 1r3y s LEU 282 N -1.54 2.17 0.80 0.66 1.43 0.09 -3.99 118.68 118.29 1r3y s LEU 282 Ca 0.37 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 1r3y s LEU 282 Cb -0.19 -1.11 0.10 0.00 0.03 0.00 0.00 46.19 45.03 1r3y s LEU 282 CO 0.21 0.20 1.13 1.51 0.23 0.00 0.00 176.35 179.64 1r3y s ASP 283 N -1.20 4.29 0.00 2.29 1.47 -1.26 -4.43 116.67 117.82 1r3y s ASP 283 Ca 0.09 0.43 0.23 0.00 1.18 0.00 0.00 52.55 54.49 1r3y s ASP 283 Cb -0.09 -0.87 1.14 0.00 -0.34 0.00 0.00 42.92 42.76 1r3y s ASP 283 CO 0.02 -1.98 1.77 -2.67 0.68 0.00 0.00 175.17 172.99 1r3y n TRP 284 N -3.23 0.00 0.92 2.11 2.14 -1.22 -3.27 117.44 114.89 1r3y n TRP 284 Ca 0.10 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.80 1r3y n TRP 284 Cb 0.60 -0.33 0.36 0.00 -0.81 0.00 0.00 31.31 31.13 1r3y n TRP 284 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1r3y n THR 285 N -1.33 0.08 -3.41 -1.67 -2.24 -1.26 -4.74 114.28 99.71 1r3y n THR 285 Ca 0.10 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 1r3y n THR 285 Cb 0.21 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 1r3y n THR 285 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1r3y s VAL 286 N -3.03 5.21 0.15 2.28 1.01 -1.20 -5.05 120.40 119.77 1r3y s VAL 286 Ca 0.11 0.65 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 1r3y s VAL 286 Cb 0.17 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 1r3y s VAL 286 CO 0.64 0.25 1.50 0.00 0.00 0.00 0.00 175.10 177.49 1r3y s ALA 287 N 1.38 3.70 0.30 5.51 0.00 -1.26 -4.89 121.76 126.50 1r3y s ALA 287 Ca 0.18 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.46 1r3y s ALA 287 Cb -0.15 -3.59 0.74 0.00 0.00 0.00 0.00 23.12 20.13 1r3y s ALA 287 CO 0.08 -0.72 1.74 -1.35 0.00 0.00 0.00 175.76 175.51 1r3y h PRO 288 N 6.71 0.57 -0.44 0.00 0.11 -1.94 -1.30 132.00 135.72 1r3y h PRO 288 Ca -0.43 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 1r3y h PRO 288 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1r3y h PRO 288 CO 0.89 0.38 -0.06 0.87 -0.21 0.00 0.00 178.00 179.87 1r3y h LYS 289 N 0.59 0.75 -0.30 1.05 1.57 -1.91 -1.54 116.57 116.78 1r3y h LYS 289 Ca 0.57 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 59.01 1r3y h LYS 289 Cb 0.99 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1r3y h LYS 289 CO -0.44 0.80 -0.31 0.87 -0.57 0.00 0.00 179.45 179.80 1r3y h LYS 290 N 0.70 0.64 -0.54 3.15 1.57 -1.65 -2.72 116.57 117.72 1r3y h LYS 290 Ca 0.13 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1r3y h LYS 290 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1r3y h LYS 290 CO 0.03 0.87 0.16 0.00 -0.57 0.00 0.00 179.45 179.94 1r3y h ALA 291 N 1.11 0.71 -0.93 3.86 0.00 -0.95 -2.00 119.26 121.06 1r3y h ALA 291 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1r3y h ALA 291 Cb 0.80 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1r3y h ALA 291 CO 0.07 0.38 0.56 -0.09 0.00 0.00 0.00 179.25 180.17 1r3y h ARG 292 N 0.76 1.27 -0.40 0.00 9.65 -1.24 -1.56 114.38 122.86 1r3y h ARG 292 Ca 0.17 -0.12 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 1r3y h ARG 292 Cb 0.29 -0.27 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1r3y h ARG 292 CO -0.00 0.89 0.22 0.93 2.80 0.00 0.00 179.97 184.81 1r3y h GLU 293 N 1.29 0.44 -0.35 0.20 5.08 -1.15 -1.31 114.58 118.77 1r3y h GLU 293 Ca 0.34 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.53 1r3y h GLU 293 Cb -0.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1r3y h GLU 293 CO -0.06 0.29 -0.32 0.00 -1.00 0.00 0.00 179.01 177.92 1r3y h VAL 295 N 0.63 0.25 0.00 0.00 -1.51 -1.29 -3.37 116.25 110.95 1r3y h VAL 295 Ca 0.06 -1.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 1r3y h VAL 295 Cb 0.90 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 1r3y h VAL 295 CO 0.08 0.14 0.00 0.61 -1.23 0.00 0.00 177.57 177.17 1r3y n GLY 296 N 1.24 -1.80 0.30 5.19 0.00 -0.50 -4.64 105.19 104.97 1r3y n GLY 296 Ca -0.02 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.56 1r3y n GLY 296 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r3y n LYS 297 N 0.00 0.74 -0.07 1.61 4.81 -1.26 -4.50 118.16 119.49 1r3y n LYS 297 Ca 0.00 -0.59 -0.05 0.00 -0.87 0.00 0.00 58.31 56.79 1r3y n LYS 297 Cb 0.00 -1.49 -0.03 0.00 0.02 0.00 0.00 35.03 33.54 1r3y n LYS 297 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1r3y h THR 298 N 1.45 0.21 -4.22 3.15 1.03 -1.98 -3.48 112.91 109.06 1r3y h THR 298 Ca 0.00 -1.21 -0.52 0.00 -0.01 0.00 0.00 66.41 64.67 1r3y h THR 298 Cb 0.64 0.44 0.14 0.00 -1.07 0.00 0.00 68.15 68.31 1r3y h THR 298 CO 0.00 0.07 0.35 0.68 -0.01 0.00 0.00 175.52 176.61 1r3y s VAL 299 N -2.00 2.75 0.08 0.00 -7.23 -1.26 -4.89 120.40 107.85 1r3y s VAL 299 Ca -0.11 0.32 -0.18 0.00 -1.81 0.00 0.00 61.98 60.20 1r3y s VAL 299 Cb 0.01 -2.77 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 1r3y s VAL 299 CO 0.21 -0.25 0.56 -0.89 -0.31 0.00 0.00 175.10 174.42 1r3y s THR 300 N -2.36 4.77 -0.00 5.32 2.01 -0.55 -4.95 115.64 119.88 1r3y s THR 300 Ca 0.68 1.15 -0.05 0.00 0.31 0.00 0.00 61.69 63.79 1r3y s THR 300 Cb -0.23 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1r3y s THR 300 CO 0.48 0.52 0.23 -0.76 -0.69 0.00 0.00 174.62 174.40 1r3y s LEU 301 N -1.21 4.37 -0.03 4.42 1.43 -0.71 -0.80 118.68 126.14 1r3y s LEU 301 Ca 0.30 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 1r3y s LEU 301 Cb -0.19 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.39 1r3y s LEU 301 CO 0.19 0.26 -0.12 -1.58 0.23 0.00 0.00 176.35 175.32 1r3y s GLN 302 N -1.83 1.25 0.00 1.70 0.74 -0.57 -0.95 119.66 120.01 1r3y s GLN 302 Ca 0.27 -0.42 0.00 0.00 0.05 0.00 0.00 55.36 55.27 1r3y s GLN 302 Cb -0.13 -1.13 0.00 0.00 1.10 0.00 0.00 33.01 32.85 1r3y s GLN 302 CO 0.17 0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.49 1r3y n GLY 303 N 3.22 0.85 1.60 2.59 0.00 -0.70 -0.73 105.19 112.01 1r3y n GLY 303 Ca -0.18 -1.83 0.02 0.00 0.00 0.00 0.00 46.02 44.03 1r3y n GLY 303 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r3y n ASN 304 N 0.00 0.74 -4.73 1.61 6.94 -0.86 -1.94 115.26 117.01 1r3y n ASN 304 Ca 0.00 -2.01 -0.42 0.00 -0.02 0.00 0.00 54.58 52.14 1r3y n ASN 304 Cb 0.00 -0.22 -0.02 0.00 -2.36 0.00 0.00 39.78 37.18 1r3y n ASN 304 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1r3y s LEU 305 N -0.49 4.36 -0.29 -4.53 2.96 -0.99 -3.32 118.68 116.37 1r3y s LEU 305 Ca 0.28 2.82 -0.40 0.00 -0.22 0.00 0.00 54.13 56.61 1r3y s LEU 305 Cb 0.33 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 43.26 1r3y s LEU 305 CO -0.13 -0.89 1.82 -0.67 -1.32 0.00 0.00 176.35 175.16 1r3y n ASP 306 N 3.23 2.34 -0.02 3.68 2.03 -1.26 -0.12 116.55 126.43 1r3y n ASP 306 Ca 0.12 0.98 0.10 0.00 0.52 0.00 0.00 54.79 56.51 1r3y n ASP 306 Cb 0.37 -1.15 0.51 0.00 -0.72 0.00 0.00 41.12 40.13 1r3y n ASP 306 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1r3y h PRO 307 N 7.99 0.36 0.00 -0.67 0.11 -1.90 0.24 132.00 138.13 1r3y h PRO 307 Ca -0.43 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1r3y h PRO 307 Cb 1.32 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1r3y h PRO 307 CO 0.97 0.24 -0.02 0.00 -0.21 0.00 0.00 178.00 178.98 1r3y h ALA 309 N 1.98 1.78 0.00 0.00 0.00 -1.30 -1.01 119.26 120.71 1r3y h ALA 309 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r3y h ALA 309 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1r3y h ALA 309 CO 0.00 -0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.20 1r3y n LEU 310 N -3.71 0.00 0.16 0.00 4.77 -0.70 -1.36 117.00 116.17 1r3y n LEU 310 Ca 0.02 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.52 1r3y n LEU 310 Cb 0.35 -0.39 0.36 0.00 -2.33 0.00 0.00 43.42 41.41 1r3y n LEU 310 CO 0.26 -0.20 0.87 1.88 -1.33 0.00 0.00 177.39 178.87 1r3y h TYR 311 N 0.00 0.00 -3.93 -1.77 0.99 -1.39 -3.44 116.97 107.43 1r3y h TYR 311 Ca 0.00 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.28 1r3y h TYR 311 Cb 0.19 0.00 0.16 0.00 1.00 0.00 0.00 36.73 38.08 1r3y h TYR 311 CO 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 178.16 178.39 1r3y s ALA 312 N -3.22 1.24 0.78 3.88 0.00 -0.46 -5.02 121.76 118.97 1r3y s ALA 312 Ca 0.08 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1r3y s ALA 312 Cb 0.09 -3.01 0.06 0.00 0.00 0.00 0.00 23.12 20.26 1r3y s ALA 312 CO 0.59 -2.79 1.08 -1.54 0.00 0.00 0.00 175.76 173.10 1r3y s SER 313 N -3.87 4.54 0.30 0.00 1.04 -1.26 -4.76 113.70 109.69 1r3y s SER 313 Ca 0.67 1.59 0.01 0.00 0.48 0.00 0.00 55.95 58.69 1r3y s SER 313 Cb -0.14 -2.34 0.52 0.00 0.10 0.00 0.00 66.02 64.16 1r3y s SER 313 CO 0.55 -1.98 1.91 -0.33 0.98 0.00 0.00 173.24 174.37 1r3y h GLU 314 N -1.09 1.00 -0.54 4.02 5.08 -1.95 -0.21 114.58 120.89 1r3y h GLU 314 Ca -0.45 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 1r3y h GLU 314 Cb 1.24 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1r3y h GLU 314 CO 0.55 0.66 0.18 1.49 -1.00 0.00 0.00 179.01 180.90 1r3y h GLU 315 N 1.03 0.83 -0.65 2.33 4.81 -2.00 -1.54 114.58 119.40 1r3y h GLU 315 Ca 0.39 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1r3y h GLU 315 Cb 0.20 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1r3y h GLU 315 CO -0.15 0.75 0.07 0.93 -0.73 0.00 0.00 179.01 179.89 1r3y h GLU 316 N 0.75 1.09 -0.55 1.92 5.08 -1.69 -2.48 114.58 118.70 1r3y h GLU 316 Ca 0.18 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1r3y h GLU 316 Cb 0.26 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1r3y h GLU 316 CO -0.01 1.02 0.32 0.82 -1.00 0.00 0.00 179.01 180.16 1r3y h ILE 317 N 1.01 1.03 -0.71 3.13 2.04 -0.86 -0.60 117.51 122.55 1r3y h ILE 317 Ca 0.19 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1r3y h ILE 317 Cb 0.48 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 1r3y h ILE 317 CO 0.02 0.11 0.35 1.23 0.00 0.00 0.00 178.15 179.86 1r3y h GLY 318 N 0.63 1.06 1.46 5.37 0.00 -0.95 -0.94 103.07 109.69 1r3y h GLY 318 Ca 0.23 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1r3y h GLY 318 CO -0.12 0.06 -0.46 1.46 0.00 0.00 0.00 176.54 177.48 1r3y h GLN 319 N 0.60 0.59 -0.54 4.80 4.20 -0.99 -1.74 115.11 122.03 1r3y h GLN 319 Ca 0.35 -0.32 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1r3y h GLN 319 Cb 0.37 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1r3y h GLN 319 CO -0.27 0.92 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.67 1r3y h LEU 320 N 0.47 0.98 -0.41 1.46 3.38 -0.64 -2.25 115.31 118.29 1r3y h LEU 320 Ca 0.03 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1r3y h LEU 320 Cb 0.98 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1r3y h LEU 320 CO 0.09 1.07 0.16 0.58 0.09 0.00 0.00 178.44 180.43 1r3y h VAL 321 N 0.89 1.20 -0.45 1.22 2.07 -1.10 -0.82 116.25 119.25 1r3y h VAL 321 Ca 0.15 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.10 1r3y h VAL 321 Cb 0.62 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1r3y h VAL 321 CO 0.04 0.23 0.12 0.50 0.02 0.00 0.00 177.57 178.48 1r3y h LYS 322 N 0.53 0.26 -0.33 1.57 3.64 -1.18 -0.10 116.57 120.95 1r3y h LYS 322 Ca 0.14 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1r3y h LYS 322 Cb 0.20 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1r3y h LYS 322 CO -0.01 0.17 0.08 0.37 -2.27 0.00 0.00 179.45 177.79 1r3y h GLN 323 N 0.27 0.52 -0.17 1.90 5.75 -1.23 -1.09 115.11 121.06 1r3y h GLN 323 Ca 0.22 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1r3y h GLN 323 Cb 0.25 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 1r3y h GLN 323 CO -0.26 0.58 -0.01 1.98 -2.65 0.00 0.00 178.83 178.47 1r3y h MET 324 N 0.37 0.04 -0.53 1.69 4.05 -0.64 -1.92 114.93 117.99 1r3y h MET 324 Ca 0.10 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1r3y h MET 324 Cb 0.29 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 1r3y h MET 324 CO 0.00 0.02 0.16 -0.07 0.23 0.00 0.00 176.91 177.25 1r3y h LEU 325 N 0.04 0.73 -1.01 3.39 4.07 -0.92 -1.42 115.31 120.18 1r3y h LEU 325 Ca 0.08 -0.11 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 1r3y h LEU 325 Cb 0.11 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 1r3y h LEU 325 CO -0.15 0.70 0.17 0.44 -1.08 0.00 0.00 178.44 178.52 1r3y h ASP 326 N 0.77 0.82 0.00 -0.43 3.32 -0.92 -0.80 116.42 119.18 1r3y h ASP 326 Ca 0.18 -0.14 -0.21 0.00 0.02 0.00 0.00 57.03 56.88 1r3y h ASP 326 Cb 0.24 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1r3y h ASP 326 CO -0.01 0.78 -0.77 0.44 -1.72 0.00 0.00 179.24 177.96 1r3y h ASP 327 N 0.85 0.78 0.09 6.45 5.19 -0.81 -3.30 116.42 125.68 1r3y h ASP 327 Ca 0.19 -0.52 -0.24 0.00 -0.62 0.00 0.00 57.03 55.85 1r3y h ASP 327 Cb 0.26 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.55 1r3y h ASP 327 CO -0.01 1.30 -0.94 -0.26 -3.12 0.00 0.00 179.24 176.21 1r3y h PHE 328 N 0.44 0.89 0.00 4.55 -1.00 -1.16 -3.38 116.94 117.28 1r3y h PHE 328 Ca -0.05 -0.46 0.00 0.00 2.81 0.00 0.00 57.97 60.28 1r3y h PHE 328 Cb 1.38 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.83 1r3y h PHE 328 CO 0.07 1.28 0.00 0.41 -1.61 0.00 0.00 178.31 178.46 1r3y n GLY 329 N 0.92 -1.02 0.23 -1.45 0.00 -0.31 -4.71 105.19 98.84 1r3y n GLY 329 Ca -0.08 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.44 1r3y n GLY 329 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3y h PRO 330 N 0.00 0.00 -6.06 1.61 0.13 -1.92 -3.45 132.00 122.30 1r3y h PRO 330 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1r3y h PRO 330 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1r3y h PRO 330 CO 0.00 0.00 -0.19 -1.01 -0.23 0.00 0.00 178.00 176.57 1r3y s HIS 331 N -3.32 3.70 -1.20 1.56 3.76 -1.26 -4.51 115.29 114.02 1r3y s HIS 331 Ca 0.06 0.98 -0.02 0.00 -0.15 0.00 0.00 55.06 55.93 1r3y s HIS 331 Cb 0.06 -2.29 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 1r3y s HIS 331 CO 0.63 0.61 0.88 0.54 -0.85 0.00 0.00 174.74 176.55 1r3y n ARG 332 N 1.61 -4.96 -3.74 1.40 1.74 -1.26 -4.93 116.66 106.52 1r3y n ARG 332 Ca -0.12 0.76 -0.12 0.00 -0.77 0.00 0.00 57.85 57.59 1r3y n ARG 332 Cb 0.52 -5.55 -0.13 0.00 -1.02 0.00 0.00 32.46 26.29 1r3y n ARG 332 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1r3y s TYR 333 N -3.47 -0.33 -0.15 -1.55 5.04 -1.26 -1.74 117.35 113.89 1r3y s TYR 333 Ca 0.11 0.78 0.02 0.00 -2.44 0.00 0.00 57.07 55.54 1r3y s TYR 333 Cb -0.02 0.06 0.01 0.00 0.35 0.00 0.00 41.96 42.36 1r3y s TYR 333 CO 0.76 -0.22 -0.21 0.42 -1.34 0.00 0.00 175.55 174.97 1r3y s ILE 334 N 1.09 2.13 0.28 3.14 1.01 -0.12 -4.54 121.20 124.20 1r3y s ILE 334 Ca -0.08 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.34 1r3y s ILE 334 Cb -0.09 -1.87 -0.09 0.00 0.01 0.00 0.00 42.46 40.42 1r3y s ILE 334 CO -0.07 0.54 1.00 0.00 0.00 0.00 0.00 174.94 176.41 1r3y s ALA 335 N 0.94 3.31 0.29 9.38 0.00 -0.41 -1.73 121.76 133.55 1r3y s ALA 335 Ca -0.04 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 1r3y s ALA 335 Cb -0.15 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 19.78 1r3y s ALA 335 CO -0.05 0.06 0.86 1.21 0.00 0.00 0.00 175.76 177.84 1r3y s ASN 336 N -1.21 -0.06 0.85 0.00 3.84 -0.82 -2.45 114.94 115.09 1r3y s ASN 336 Ca 0.45 -0.85 -0.12 0.00 0.21 0.00 0.00 52.86 52.55 1r3y s ASN 336 Cb -0.26 0.70 0.10 0.00 -0.55 0.00 0.00 41.25 41.24 1r3y s ASN 336 CO 0.33 -1.37 1.16 -0.76 -2.79 0.00 0.00 177.10 173.67 1r3y s LEU 337 N -3.11 2.31 0.00 3.21 1.43 -1.26 -2.04 118.68 119.23 1r3y s LEU 337 Ca 0.16 0.86 0.29 0.00 -1.03 0.00 0.00 54.13 54.41 1r3y s LEU 337 Cb -0.04 -3.29 1.30 0.00 0.03 0.00 0.00 46.19 44.19 1r3y s LEU 337 CO 0.08 -2.16 1.94 0.61 0.23 0.00 0.00 176.35 177.05 1r3y n GLY 338 N -2.87 -1.31 0.97 -3.19 0.00 0.83 -4.41 105.19 95.22 1r3y n GLY 338 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1r3y n GLY 338 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r3y n HIS 339 N -1.33 -1.09 -1.83 1.61 -0.00 -1.26 -4.16 115.22 107.15 1r3y n HIS 339 Ca 0.11 -0.41 -0.32 0.00 -0.00 0.00 0.00 57.72 57.10 1r3y n HIS 339 Cb 0.29 0.20 0.03 0.00 -0.00 0.00 0.00 29.99 30.51 1r3y n HIS 339 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1r3y s GLY 340 N -1.86 1.96 0.36 1.57 0.00 -1.26 -4.60 107.32 103.49 1r3y s GLY 340 Ca 0.05 0.30 -0.28 0.00 0.00 0.00 0.00 44.72 44.79 1r3y s GLY 340 CO 0.02 0.62 1.49 1.04 0.00 0.00 0.00 173.10 176.27 1r3y n LEU 341 N -2.49 4.64 -4.88 0.66 4.77 -0.66 -4.89 117.00 114.16 1r3y n LEU 341 Ca 0.08 1.22 -0.31 0.00 -0.03 0.00 0.00 56.01 56.98 1r3y n LEU 341 Cb 0.53 -1.61 -0.04 0.00 -2.33 0.00 0.00 43.42 39.97 1r3y n LEU 341 CO 0.50 0.11 0.33 -0.31 -1.33 0.00 0.00 177.39 176.69 1r3y s TYR 342 N -0.99 3.44 0.58 -1.77 4.12 -1.26 -4.92 117.35 116.55 1r3y s TYR 342 Ca 0.55 0.95 0.34 0.00 0.02 0.00 0.00 57.07 58.93 1r3y s TYR 342 Cb -0.49 -2.34 1.96 0.00 -1.52 0.00 0.00 41.96 39.58 1r3y s TYR 342 CO 0.62 0.09 2.26 -1.35 0.02 0.00 0.00 175.55 177.19 1r3y h PRO 343 N 1.86 0.00 -0.61 -1.71 0.11 -1.95 -2.63 132.00 127.07 1r3y h PRO 343 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1r3y h PRO 343 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1r3y h PRO 343 CO 0.66 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 1r3y n ASP 344 N -3.55 3.44 -4.84 -2.05 5.75 -1.26 -3.66 116.55 110.37 1r3y n ASP 344 Ca -0.03 -2.11 -0.32 0.00 -0.01 0.00 0.00 54.79 52.32 1r3y n ASP 344 Cb 0.10 -0.44 -0.04 0.00 -1.03 0.00 0.00 41.12 39.72 1r3y n ASP 344 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1r3y s MET 345 N -1.38 3.99 -0.22 0.11 -1.94 -0.99 -5.02 119.30 113.84 1r3y s MET 345 Ca 0.41 0.93 -0.20 0.00 -1.71 0.00 0.00 55.69 55.12 1r3y s MET 345 Cb 0.23 -2.18 -0.02 0.00 2.01 0.00 0.00 34.83 34.87 1r3y s MET 345 CO 0.25 -0.19 0.60 0.34 -0.01 0.00 0.00 175.02 176.00 1r3y s ASP 346 N -2.90 6.61 0.46 3.03 -1.08 -1.26 -4.80 116.67 116.74 1r3y s ASP 346 Ca 0.59 0.74 0.22 0.00 -0.52 0.00 0.00 52.55 53.57 1r3y s ASP 346 Cb -0.10 -2.33 1.22 0.00 -1.46 0.00 0.00 42.92 40.25 1r3y s ASP 346 CO 0.28 -0.28 1.88 -0.65 0.52 0.00 0.00 175.17 176.91 1r3y h PRO 347 N 7.64 0.25 -0.40 4.34 0.11 -1.96 -0.67 132.00 141.32 1r3y h PRO 347 Ca -0.30 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 1r3y h PRO 347 Cb 1.14 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1r3y h PRO 347 CO 0.76 0.17 0.07 0.93 -0.21 0.00 0.00 178.00 179.71 1r3y h GLU 348 N 0.26 0.60 -0.03 1.05 4.39 -1.98 -1.44 114.58 117.44 1r3y h GLU 348 Ca 0.43 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.89 1r3y h GLU 348 Cb 1.28 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1r3y h GLU 348 CO -0.11 0.57 -0.58 0.45 -1.16 0.00 0.00 179.01 178.18 1r3y h HIS 349 N 0.58 0.12 -0.49 4.33 3.86 -1.45 -1.39 115.15 120.72 1r3y h HIS 349 Ca 0.13 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1r3y h HIS 349 Cb 0.27 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1r3y h HIS 349 CO 0.01 0.65 0.12 0.28 0.86 0.00 0.00 177.93 179.86 1r3y h VAL 350 N 0.07 1.24 -0.98 2.45 2.07 -1.17 -1.96 116.25 117.97 1r3y h VAL 350 Ca -0.00 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1r3y h VAL 350 Cb 1.04 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 1r3y h VAL 350 CO 0.08 0.30 0.64 1.23 0.02 0.00 0.00 177.57 179.84 1r3y h GLY 351 N 0.67 1.42 1.46 2.17 0.00 -1.02 -1.88 103.07 105.89 1r3y h GLY 351 Ca 0.15 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1r3y h GLY 351 CO 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 176.54 176.86 1r3y h ALA 352 N 1.43 1.13 -0.06 3.60 0.00 -0.93 -1.03 119.26 123.39 1r3y h ALA 352 Ca 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1r3y h ALA 352 Cb -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1r3y h ALA 352 CO -0.12 0.55 0.01 0.35 0.00 0.00 0.00 179.25 180.04 1r3y h PHE 353 N 0.59 0.10 -0.08 0.00 3.57 -0.61 -1.65 116.94 118.87 1r3y h PHE 353 Ca 0.11 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1r3y h PHE 353 Cb 0.53 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1r3y h PHE 353 CO 0.02 0.31 0.05 0.28 -2.23 0.00 0.00 178.31 176.74 1r3y h VAL 354 N -0.13 1.05 -0.91 1.41 2.07 -1.15 -1.71 116.25 116.88 1r3y h VAL 354 Ca 0.02 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1r3y h VAL 354 Cb 0.26 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1r3y h VAL 354 CO 0.00 0.04 0.50 0.44 0.02 0.00 0.00 177.57 178.57 1r3y h ASP 355 N 0.07 1.13 -0.11 0.57 3.32 -1.19 -2.48 116.42 117.73 1r3y h ASP 355 Ca 0.03 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 1r3y h ASP 355 Cb 0.03 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1r3y h ASP 355 CO -0.01 0.90 -0.29 0.00 -1.72 0.00 0.00 179.24 178.12 1r3y h ALA 356 N 1.27 0.96 -0.30 3.45 0.00 -0.97 -0.13 119.26 123.55 1r3y h ALA 356 Ca 0.32 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1r3y h ALA 356 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1r3y h ALA 356 CO -0.05 0.61 0.15 0.28 0.00 0.00 0.00 179.25 180.24 1r3y h VAL 357 N 0.50 1.14 -0.08 0.00 2.07 -0.90 -1.12 116.25 117.86 1r3y h VAL 357 Ca 0.06 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1r3y h VAL 357 Cb 0.76 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1r3y h VAL 357 CO 0.06 0.14 0.02 0.45 0.02 0.00 0.00 177.57 178.26 1r3y h HIS 358 N 0.35 0.13 0.40 1.57 -0.00 -1.24 -1.29 115.15 115.06 1r3y h HIS 358 Ca 0.10 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.44 1r3y h HIS 358 Cb 0.09 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1r3y h HIS 358 CO -0.02 0.33 -0.19 -0.22 -0.00 0.00 0.00 177.93 177.82 1r3y h LYS 359 N -0.10 -0.52 -0.05 2.45 3.64 -0.99 -2.75 116.57 118.26 1r3y h LYS 359 Ca 0.02 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1r3y h LYS 359 Cb 0.26 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1r3y h LYS 359 CO 0.00 -0.29 -0.41 0.45 -2.27 0.00 0.00 179.45 176.94 1r3y h HIS 360 N -0.64 0.11 -0.03 1.91 3.86 -1.26 -2.81 115.15 116.30 1r3y h HIS 360 Ca -0.05 -0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 58.97 1r3y h HIS 360 Cb 0.47 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1r3y h HIS 360 CO -0.02 0.49 -0.67 0.66 0.86 0.00 0.00 177.93 179.25 1r3y h SER 361 N 0.08 0.17 -0.55 2.45 4.64 -1.24 -1.97 113.55 117.15 1r3y h SER 361 Ca 0.01 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.10 1r3y h SER 361 Cb 0.76 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1r3y h SER 361 CO 0.06 0.79 -0.11 0.03 -0.87 0.00 0.00 176.83 176.73 1r3y h ARG 362 N 0.10 1.05 0.00 4.77 3.08 -1.35 -3.05 114.38 118.98 1r3y h ARG 362 Ca -0.01 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.59 1r3y h ARG 362 Cb 1.20 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1r3y h ARG 362 CO 0.10 1.08 -0.28 -0.07 -1.07 0.00 0.00 179.97 179.73 1r3y h LEU 363 N 0.93 0.00 -0.02 3.04 3.38 -1.38 -1.52 115.31 119.74 1r3y h LEU 363 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1r3y h LEU 363 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1r3y h LEU 363 CO 0.05 0.28 -0.01 -0.11 0.09 0.00 0.00 178.44 178.74 1r3y n LEU 364 N -3.76 0.03 0.00 1.67 7.94 -0.75 -4.15 117.00 117.99 1r3y n LEU 364 Ca -0.01 0.23 -0.03 0.00 -1.11 0.00 0.00 56.01 55.09 1r3y n LEU 364 Cb 0.38 -0.25 -0.01 0.00 0.53 0.00 0.00 43.42 44.07 1r3y n LEU 364 CO 0.35 0.01 -0.25 0.54 -1.11 0.00 0.00 177.39 176.93 1r3y n ARG 365 N -1.23 0.17 0.00 1.96 1.74 -1.05 -4.94 116.66 113.31 1r3y n ARG 365 Ca 0.15 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1r3y n ARG 365 Cb 0.23 -0.79 0.01 0.00 -1.02 0.00 0.00 32.46 30.88 1r3y n ARG 365 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05