#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcn s LYS 66 N 0.00 3.87 0.17 5.56 2.20 -1.26 -4.87 119.74 125.40 3hcn s LYS 66 Ca 0.00 2.51 -0.33 0.00 -0.36 0.00 0.00 55.97 57.79 3hcn s LYS 66 Cb 0.00 -2.80 -0.13 0.00 -1.51 0.00 0.00 37.83 33.39 3hcn s LYS 66 CO 0.00 -0.71 1.66 -0.35 -0.36 0.00 0.00 175.35 175.59 3hcn n PRO 67 N 0.09 2.42 -0.14 4.03 -0.04 -1.26 -4.55 135.00 135.55 3hcn n PRO 67 Ca 0.03 0.87 -0.26 0.00 -0.04 0.00 0.00 63.50 64.10 3hcn n PRO 67 Cb 0.40 -2.68 -0.10 0.00 -0.04 0.00 0.00 33.50 31.08 3hcn n PRO 67 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3hcn n LYS 68 N 3.88 0.60 -4.54 0.54 4.81 -0.63 -4.49 118.16 118.33 3hcn n LYS 68 Ca 0.17 0.23 -0.33 0.00 -0.87 0.00 0.00 58.31 57.51 3hcn n LYS 68 Cb 0.31 -1.48 -0.16 0.00 0.02 0.00 0.00 35.03 33.72 3hcn n LYS 68 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hcn s THR 69 N -2.50 2.37 -0.11 3.15 2.01 -0.93 -1.45 115.64 118.17 3hcn s THR 69 Ca -0.37 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 60.73 3hcn s THR 69 Cb 0.13 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 3hcn s THR 69 CO 0.51 0.53 0.01 -0.83 -0.69 0.00 0.00 174.62 174.16 3hcn s GLY 70 N 0.87 1.86 -0.31 4.40 0.00 0.09 -1.07 107.32 113.17 3hcn s GLY 70 Ca -0.05 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 3hcn s GLY 70 CO -0.02 -0.41 0.01 -0.42 0.00 0.00 0.00 173.10 172.26 3hcn s ILE 71 N -0.57 2.86 -0.51 0.90 1.09 0.28 -0.89 121.20 124.35 3hcn s ILE 71 Ca 0.10 -1.54 -0.23 0.00 -1.10 0.00 0.00 60.65 57.88 3hcn s ILE 71 Cb -0.12 -2.70 0.04 0.00 -1.06 0.00 0.00 42.46 38.62 3hcn s ILE 71 CO 0.02 -0.18 0.84 -0.22 -0.10 0.00 0.00 174.94 175.31 3hcn s LEU 72 N 1.20 4.27 -0.44 2.97 2.96 0.64 -0.59 118.68 129.69 3hcn s LEU 72 Ca -0.04 -0.34 -0.26 0.00 -0.22 0.00 0.00 54.13 53.28 3hcn s LEU 72 Cb -0.20 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 43.68 3hcn s LEU 72 CO -0.02 -1.07 0.95 -0.04 -1.32 0.00 0.00 176.35 174.84 3hcn s MET 73 N 3.54 3.64 -0.16 1.98 -1.94 0.86 -0.64 119.30 126.59 3hcn s MET 73 Ca 0.28 0.33 -0.11 0.00 -1.71 0.00 0.00 55.69 54.48 3hcn s MET 73 Cb -0.13 -3.89 -0.05 0.00 2.01 0.00 0.00 34.83 32.77 3hcn s MET 73 CO 0.20 -1.16 0.22 -0.51 -0.01 0.00 0.00 175.02 173.75 3hcn s LEU 74 N 3.75 4.27 0.25 -0.03 1.43 -0.58 -0.64 118.68 127.13 3hcn s LEU 74 Ca 0.39 0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 53.70 3hcn s LEU 74 Cb -0.10 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 43.91 3hcn s LEU 74 CO 0.25 0.19 0.74 0.21 0.23 0.00 0.00 176.35 177.97 3hcn s ASN 75 N 0.08 -0.28 0.31 2.29 3.84 -1.07 -0.19 114.94 119.93 3hcn s ASN 75 Ca 0.14 -0.53 0.15 0.00 0.21 0.00 0.00 52.86 52.83 3hcn s ASN 75 Cb -0.12 0.69 0.46 0.00 -0.55 0.00 0.00 41.25 41.72 3hcn s ASN 75 CO 0.02 -1.25 1.64 0.00 -2.79 0.00 0.00 177.10 174.72 3hcn h MET 76 N 2.00 0.00 0.00 0.43 -0.00 -1.94 -0.69 114.93 114.73 3hcn h MET 76 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 3hcn h MET 76 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 3hcn h MET 76 CO 0.25 0.52 0.00 0.41 -0.00 0.00 0.00 176.91 178.08 3hcn n GLY 77 N 0.37 -2.28 3.54 -3.00 0.00 -1.26 -1.81 105.19 100.75 3hcn n GLY 77 Ca -0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 3hcn n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hcn s GLY 78 N -0.98 -0.39 -0.02 -0.02 0.00 -1.26 -4.95 107.32 99.71 3hcn s GLY 78 Ca 0.00 1.46 -0.30 0.00 0.00 0.00 0.00 44.72 45.88 3hcn s GLY 78 CO 0.00 0.67 1.57 2.56 0.00 0.00 0.00 173.10 177.90 3hcn s PRO 79 N -2.14 4.21 0.17 2.90 0.04 -1.26 -4.77 135.00 134.15 3hcn s PRO 79 Ca 0.01 2.14 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 3hcn s PRO 79 Cb -0.01 -3.79 0.07 0.00 0.04 0.00 0.00 34.50 30.81 3hcn s PRO 79 CO -0.03 -0.75 1.70 1.49 0.04 0.00 0.00 177.00 179.45 3hcn h GLU 80 N 8.78 0.91 -5.20 4.56 4.81 -1.91 0.12 114.58 126.65 3hcn h GLU 80 Ca -0.39 -0.20 -0.45 0.00 -0.13 0.00 0.00 59.36 58.20 3hcn h GLU 80 Cb 1.18 -0.13 -0.14 0.00 0.63 0.00 0.00 28.75 30.29 3hcn h GLU 80 CO 0.94 0.82 -0.62 0.95 -0.73 0.00 0.00 179.01 180.36 3hcn s THR 81 N -5.41 1.16 0.56 0.32 -4.23 -1.26 -3.95 115.64 102.83 3hcn s THR 81 Ca -0.13 -2.02 0.28 0.00 -1.18 0.00 0.00 61.69 58.64 3hcn s THR 81 Cb 0.13 -2.66 0.33 0.00 1.34 0.00 0.00 72.50 71.64 3hcn s THR 81 CO 0.81 -0.09 2.22 -0.07 -0.54 0.00 0.00 174.62 176.95 3hcn h LEU 82 N 2.22 0.00 -0.52 4.79 3.38 -1.84 -1.18 115.31 122.15 3hcn h LEU 82 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3hcn h LEU 82 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3hcn h LEU 82 CO 0.68 0.02 0.00 1.23 0.09 0.00 0.00 178.44 180.45 3hcn h GLY 83 N 0.10 0.00 0.03 0.83 0.00 -1.96 -2.97 103.07 99.10 3hcn h GLY 83 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hcn h GLY 83 CO 0.00 0.00 -0.15 1.22 0.00 0.00 0.00 176.54 177.61 3hcn n ASP 84 N -2.30 1.15 -0.11 0.19 8.00 -0.45 -4.36 116.55 118.67 3hcn n ASP 84 Ca 0.03 -1.09 -0.09 0.00 0.71 0.00 0.00 54.79 54.35 3hcn n ASP 84 Cb 0.30 0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.46 3hcn n ASP 84 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hcn h VAL 85 N 1.57 1.11 -0.08 2.53 2.07 -1.63 -2.74 116.25 119.08 3hcn h VAL 85 Ca 0.00 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3hcn h VAL 85 Cb 0.49 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3hcn h VAL 85 CO 0.00 0.11 -0.12 -0.74 0.02 0.00 0.00 177.57 176.84 3hcn h HIS 86 N 0.47 -0.31 -0.00 1.57 -0.00 -1.82 -0.75 115.15 114.30 3hcn h HIS 86 Ca 0.13 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.44 3hcn h HIS 86 Cb -0.01 0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 3hcn h HIS 86 CO -0.04 -0.18 -0.34 -0.44 -0.00 0.00 0.00 177.93 176.92 3hcn h ASP 87 N -0.17 0.00 0.05 3.26 3.32 -1.85 0.24 116.42 121.27 3hcn h ASP 87 Ca 0.07 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3hcn h ASP 87 Cb 0.27 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3hcn h ASP 87 CO -0.18 0.35 -0.03 0.15 -1.72 0.00 0.00 179.24 177.81 3hcn h PHE 88 N 0.00 -0.07 -0.36 4.55 3.57 -1.11 -2.03 116.94 121.49 3hcn h PHE 88 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3hcn h PHE 88 Cb 0.61 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3hcn h PHE 88 CO 0.00 0.11 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.92 3hcn h LEU 89 N -0.23 0.68 0.22 0.59 3.38 -0.87 -2.01 115.31 117.06 3hcn h LEU 89 Ca -0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hcn h LEU 89 Cb 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hcn h LEU 89 CO 0.01 0.87 -0.15 0.25 0.09 0.00 0.00 178.44 179.51 3hcn h LEU 90 N 0.60 -0.39 -1.33 1.67 5.85 -0.81 -0.07 115.31 120.84 3hcn h LEU 90 Ca 0.09 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3hcn h LEU 90 Cb 0.66 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3hcn h LEU 90 CO 0.05 -0.24 -0.17 0.03 -0.34 0.00 0.00 178.44 177.76 3hcn h ARG 91 N -0.37 0.24 -0.01 1.25 3.08 -1.33 -2.25 114.38 114.99 3hcn h ARG 91 Ca -0.02 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3hcn h ARG 91 Cb 0.32 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3hcn h ARG 91 CO 0.00 0.41 -0.00 1.25 -1.07 0.00 0.00 179.97 180.56 3hcn h LEU 92 N 0.22 0.02 -0.22 3.04 6.46 -0.90 -2.80 115.31 121.13 3hcn h LEU 92 Ca 0.04 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 3hcn h LEU 92 Cb 0.44 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 3hcn h LEU 92 CO 0.03 0.36 0.00 0.49 -0.62 0.00 0.00 178.44 178.70 3hcn n PHE 93 N -4.91 0.35 0.90 1.25 3.01 -0.08 -2.10 117.46 115.88 3hcn n PHE 93 Ca -0.08 0.13 0.12 0.00 1.01 0.00 0.00 57.45 58.63 3hcn n PHE 93 Cb 0.19 -0.71 0.24 0.00 -0.01 0.00 0.00 39.48 39.19 3hcn n PHE 93 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3hcn n LEU 94 N -1.81 0.52 -4.57 4.37 4.77 -0.86 -4.71 117.00 114.71 3hcn n LEU 94 Ca 0.04 0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 3hcn n LEU 94 Cb 0.24 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3hcn n LEU 94 CO 0.19 0.09 1.41 -0.62 -1.33 0.00 0.00 177.39 177.13 3hcn s ASP 95 N -3.26 5.82 0.15 -1.43 3.68 -0.89 -4.85 116.67 115.88 3hcn s ASP 95 Ca 0.10 0.46 0.23 0.00 2.13 0.00 0.00 52.55 55.46 3hcn s ASP 95 Cb 0.17 -2.54 0.89 0.00 -1.45 0.00 0.00 42.92 39.99 3hcn s ASP 95 CO 0.70 -1.92 1.69 0.54 0.13 0.00 0.00 175.17 176.31 3hcn n ARG 96 N 8.81 0.13 0.10 4.34 1.74 -1.26 -1.78 116.66 128.74 3hcn n ARG 96 Ca 0.16 0.28 0.12 0.00 -0.77 0.00 0.00 57.85 57.65 3hcn n ARG 96 Cb 0.50 -1.72 0.27 0.00 -1.02 0.00 0.00 32.46 30.49 3hcn n ARG 96 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3hcn h ASP 97 N 0.00 0.00 0.00 0.55 3.32 -1.95 -3.36 116.42 114.98 3hcn h ASP 97 Ca 0.00 -0.08 -0.29 0.00 0.02 0.00 0.00 57.03 56.68 3hcn h ASP 97 Cb 0.43 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 3hcn h ASP 97 CO 0.00 0.04 -1.73 -0.11 -1.72 0.00 0.00 179.24 175.72 3hcn n LEU 98 N -2.30 1.91 -3.89 1.55 7.94 -0.80 -4.46 117.00 116.95 3hcn n LEU 98 Ca 0.04 0.40 -0.10 0.00 -1.11 0.00 0.00 56.01 55.24 3hcn n LEU 98 Cb 0.45 -0.86 -0.09 0.00 0.53 0.00 0.00 43.42 43.45 3hcn n LEU 98 CO 0.33 0.27 -0.15 0.00 -1.11 0.00 0.00 177.39 176.73 3hcn s MET 99 N -2.48 0.67 -0.21 1.96 0.23 -0.74 -4.92 119.30 113.81 3hcn s MET 99 Ca -0.32 -0.76 -0.03 0.00 -1.03 0.00 0.00 55.69 53.55 3hcn s MET 99 Cb 0.09 0.27 -0.00 0.00 -1.53 0.00 0.00 34.83 33.66 3hcn s MET 99 CO 0.49 -0.19 -0.07 0.99 -2.03 0.00 0.00 175.02 174.22 3hcn s THR 100 N -2.85 3.18 0.05 3.16 2.01 -1.26 -4.03 115.64 115.89 3hcn s THR 100 Ca -0.03 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.47 3hcn s THR 100 Cb 0.00 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 3hcn s THR 100 CO -0.06 0.44 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.39 3hcn s LEU 101 N 1.40 2.19 0.53 4.42 1.43 -1.26 -5.11 118.68 122.27 3hcn s LEU 101 Ca 0.05 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 52.43 3hcn s LEU 101 Cb -0.14 -0.72 -0.06 0.00 0.03 0.00 0.00 46.19 45.31 3hcn s LEU 101 CO -0.04 0.06 1.19 -2.16 0.23 0.00 0.00 176.35 175.62 3hcn s PRO 102 N -1.28 3.38 -1.05 1.29 0.04 -1.26 -2.87 135.00 133.25 3hcn s PRO 102 Ca 0.03 1.80 -0.09 0.00 0.04 0.00 0.00 61.00 62.78 3hcn s PRO 102 Cb -0.08 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.30 3hcn s PRO 102 CO 0.02 -0.87 0.17 0.44 0.04 0.00 0.00 177.00 176.80 3hcn n ILE 103 N -1.04 -1.13 -0.29 0.56 -5.35 -1.26 -4.66 119.36 106.19 3hcn n ILE 103 Ca 0.10 -0.39 0.02 0.00 -0.27 0.00 0.00 62.75 62.21 3hcn n ILE 103 Cb 0.49 -1.03 0.15 0.00 -1.74 0.00 0.00 39.64 37.51 3hcn n ILE 103 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3hcn h GLN 104 N -1.07 0.80 -0.01 6.28 4.15 -1.93 -0.25 115.11 123.07 3hcn h GLN 104 Ca -0.50 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.88 3hcn h GLN 104 Cb 1.03 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.54 3hcn h GLN 104 CO 0.47 0.53 0.02 -0.91 -1.93 0.00 0.00 178.83 177.01 3hcn h ASN 105 N 0.82 0.00 0.00 -0.69 4.21 -1.90 0.11 115.58 118.14 3hcn h ASN 105 Ca 0.38 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.57 3hcn h ASN 105 Cb 0.28 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.42 3hcn h ASN 105 CO -0.22 0.00 -2.17 0.29 -1.29 0.00 0.00 177.43 174.04 3hcn n LYS 106 N -3.50 1.15 0.10 0.81 5.02 -0.80 -4.51 118.16 116.42 3hcn n LYS 106 Ca -0.03 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 3hcn n LYS 106 Cb 0.10 -1.43 -0.12 0.00 -0.02 0.00 0.00 35.03 33.55 3hcn n LYS 106 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3hcn h LEU 107 N 0.00 0.43 0.20 -0.35 5.85 -0.75 -3.34 115.31 117.35 3hcn h LEU 107 Ca -0.46 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 57.83 3hcn h LEU 107 Cb 2.01 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 3hcn h LEU 107 CO 0.01 1.32 -0.21 0.00 -0.34 0.00 0.00 178.44 179.22 3hcn h ALA 108 N 0.63 -0.42 -0.99 1.25 0.00 -1.02 -1.88 119.26 116.82 3hcn h ALA 108 Ca -0.12 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 54.91 3hcn h ALA 108 Cb 1.89 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 19.89 3hcn h ALA 108 CO 0.19 -0.77 0.61 -1.35 0.00 0.00 0.00 179.25 177.94 3hcn h PRO 109 N -0.45 0.72 -0.01 0.00 0.11 -1.79 0.16 132.00 130.74 3hcn h PRO 109 Ca 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3hcn h PRO 109 Cb 0.43 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3hcn h PRO 109 CO -0.06 0.48 0.00 0.35 -0.21 0.00 0.00 178.00 178.56 3hcn h PHE 110 N 0.74 0.02 -0.65 0.65 3.57 -1.59 -2.05 116.94 117.63 3hcn h PHE 110 Ca 0.55 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.06 3hcn h PHE 110 Cb 0.89 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 3hcn h PHE 110 CO -0.00 0.30 0.42 0.82 -2.23 0.00 0.00 178.31 177.62 3hcn h ILE 111 N -0.27 1.15 0.03 1.41 2.04 -0.53 -1.37 117.51 119.98 3hcn h ILE 111 Ca 0.00 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3hcn h ILE 111 Cb 0.29 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3hcn h ILE 111 CO 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 178.15 178.24 3hcn h ALA 112 N 1.24 -0.10 -0.05 1.87 0.00 -0.95 0.58 119.26 121.86 3hcn h ALA 112 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hcn h ALA 112 Cb -0.08 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hcn h ALA 112 CO -0.06 -0.57 0.03 0.87 0.00 0.00 0.00 179.25 179.52 3hcn h LYS 113 N -0.14 0.06 0.00 0.00 1.79 -1.19 -1.34 116.57 115.76 3hcn h LYS 113 Ca 0.02 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 3hcn h LYS 113 Cb 0.16 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 3hcn h LYS 113 CO -0.05 0.04 -0.18 -0.09 -1.08 0.00 0.00 179.45 178.10 3hcn h ARG 114 N 0.07 0.00 0.00 3.15 2.43 -1.11 -3.06 114.38 115.85 3hcn h ARG 114 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3hcn h ARG 114 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3hcn h ARG 114 CO -0.01 0.18 -0.97 -2.13 -1.51 0.00 0.00 179.97 175.53 3hcn n ARG 115 N -3.90 0.10 -0.29 0.20 0.63 0.18 -4.46 116.66 109.13 3hcn n ARG 115 Ca -0.02 -0.01 0.01 0.00 -0.92 0.00 0.00 57.85 56.91 3hcn n ARG 115 Cb 0.27 -1.52 0.14 0.00 0.45 0.00 0.00 32.46 31.80 3hcn n ARG 115 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3hcn h THR 116 N 0.00 0.99 -0.24 5.15 2.02 -1.14 -2.56 112.91 117.13 3hcn h THR 116 Ca 0.00 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.91 3hcn h THR 116 Cb 0.58 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 3hcn h THR 116 CO 0.00 0.16 0.06 -0.65 0.37 0.00 0.00 175.52 175.46 3hcn h PRO 117 N 0.87 0.16 -0.53 6.66 0.11 -1.78 0.68 132.00 138.18 3hcn h PRO 117 Ca 0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3hcn h PRO 117 Cb 0.23 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 3hcn h PRO 117 CO -0.20 0.11 0.33 -0.22 -0.21 0.00 0.00 178.00 177.81 3hcn h LYS 118 N 0.17 0.71 -0.14 1.05 3.64 -1.81 -1.91 116.57 118.28 3hcn h LYS 118 Ca 0.11 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 3hcn h LYS 118 Cb 0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3hcn h LYS 118 CO -0.13 0.50 -0.57 0.82 -2.27 0.00 0.00 179.45 177.80 3hcn h ILE 119 N 0.71 1.34 -0.67 2.00 1.08 -1.25 -2.10 117.51 118.62 3hcn h ILE 119 Ca 0.19 -1.86 -0.03 0.00 -0.39 0.00 0.00 64.86 62.77 3hcn h ILE 119 Cb -0.04 1.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 3hcn h ILE 119 CO -0.04 0.57 0.30 1.56 -0.69 0.00 0.00 178.15 179.85 3hcn h GLN 120 N 0.33 0.98 -0.80 2.37 4.20 -0.66 -0.69 115.11 120.84 3hcn h GLN 120 Ca 0.00 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3hcn h GLN 120 Cb 1.10 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.67 3hcn h GLN 120 CO 0.10 0.79 0.47 1.49 -0.67 0.00 0.00 178.83 181.01 3hcn h GLU 121 N 0.93 1.09 -0.64 1.46 4.57 -1.19 0.48 114.58 121.29 3hcn h GLU 121 Ca 0.23 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.25 3hcn h GLU 121 Cb 0.16 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 3hcn h GLU 121 CO -0.02 0.78 0.22 1.96 -1.18 0.00 0.00 179.01 180.77 3hcn h GLN 122 N 1.10 0.98 0.00 1.92 1.08 -0.79 -1.99 115.11 117.41 3hcn h GLN 122 Ca 0.29 -0.20 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 3hcn h GLN 122 Cb -0.02 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 3hcn h GLN 122 CO -0.05 0.85 -0.50 1.88 -0.95 0.00 0.00 178.83 180.06 3hcn h TYR 123 N 0.91 0.00 -0.59 2.96 -1.99 -0.69 -2.66 116.97 114.92 3hcn h TYR 123 Ca 0.21 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.88 3hcn h TYR 123 Cb 0.26 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 3hcn h TYR 123 CO 0.02 0.50 0.12 -0.09 -0.00 0.00 0.00 178.16 178.70 3hcn h ARG 124 N 0.00 0.93 0.00 4.88 2.43 -0.43 0.25 114.38 122.44 3hcn h ARG 124 Ca -0.00 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3hcn h ARG 124 Cb 0.96 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3hcn h ARG 124 CO 0.06 0.85 -0.00 0.00 -1.51 0.00 0.00 179.97 179.37 3hcn h ARG 125 N 0.88 0.00 -0.26 0.20 2.47 -1.01 -2.71 114.38 113.96 3hcn h ARG 125 Ca 0.19 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.81 3hcn h ARG 125 Cb 0.36 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.62 3hcn h ARG 125 CO 0.00 0.00 -0.08 0.44 0.56 0.00 0.00 179.97 180.89 3hcn n ILE 126 N -3.10 2.38 0.00 2.04 -5.35 -0.81 -4.94 119.36 109.58 3hcn n ILE 126 Ca -0.02 -2.49 0.00 0.00 -0.27 0.00 0.00 62.75 59.97 3hcn n ILE 126 Cb 0.16 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.78 3hcn n ILE 126 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hcn n GLY 127 N -0.99 1.68 0.00 3.28 0.00 -1.02 -4.65 105.19 103.48 3hcn n GLY 127 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3hcn n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hcn n GLY 128 N -0.48 1.14 0.00 -0.02 0.00 0.83 -4.96 105.19 101.70 3hcn n GLY 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hcn n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hcn n GLY 129 N -1.60 -2.16 3.72 -0.02 0.00 -1.19 -2.88 105.19 101.07 3hcn n GLY 129 Ca 0.00 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 3hcn n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hcn s SER 130 N -1.81 5.64 0.00 1.61 0.15 0.41 -4.95 113.70 114.74 3hcn s SER 130 Ca 0.00 0.21 0.16 0.00 0.70 0.00 0.00 55.95 57.02 3hcn s SER 130 Cb 0.00 -1.76 0.47 0.00 -1.71 0.00 0.00 66.02 63.01 3hcn s SER 130 CO 0.00 0.33 1.38 -0.81 1.20 0.00 0.00 173.24 175.35 3hcn n PRO 131 N 2.47 2.11 -0.31 5.44 -0.04 -1.26 -4.43 135.00 138.97 3hcn n PRO 131 Ca -0.18 -1.72 0.14 0.00 -0.04 0.00 0.00 63.50 61.70 3hcn n PRO 131 Cb 0.54 -1.39 0.38 0.00 -0.04 0.00 0.00 33.50 32.99 3hcn n PRO 131 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3hcn h ILE 132 N 2.89 0.74 -0.13 0.52 2.10 -1.92 -1.91 117.51 119.81 3hcn h ILE 132 Ca 0.00 -0.23 -0.02 0.00 1.08 0.00 0.00 64.86 65.69 3hcn h ILE 132 Cb 0.66 0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 36.40 3hcn h ILE 132 CO 0.00 0.12 -0.01 0.50 -1.08 0.00 0.00 178.15 177.68 3hcn h LYS 133 N 0.67 0.23 -0.41 2.19 3.64 -1.91 -0.23 116.57 120.75 3hcn h LYS 133 Ca 0.52 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 3hcn h LYS 133 Cb 0.92 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 3hcn h LYS 133 CO -0.27 0.50 0.21 0.82 -2.27 0.00 0.00 179.45 178.44 3hcn h ILE 134 N -0.05 1.16 -0.55 2.00 2.04 -1.79 -1.19 117.51 119.12 3hcn h ILE 134 Ca 0.03 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 3hcn h ILE 134 Cb 0.40 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3hcn h ILE 134 CO 0.01 0.17 0.04 -0.50 0.00 0.00 0.00 178.15 177.87 3hcn h TRP 135 N 0.53 1.03 -0.71 1.37 -0.00 -1.35 -1.47 115.95 115.35 3hcn h TRP 135 Ca 0.14 -0.16 -0.07 0.00 -0.00 0.00 0.00 58.89 58.80 3hcn h TRP 135 Cb 0.08 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 28.94 3hcn h TRP 135 CO -0.02 0.92 0.16 1.15 -0.00 0.00 0.00 178.44 180.66 3hcn h THR 136 N 0.84 1.26 -0.14 1.49 2.02 -0.88 -1.24 112.91 116.26 3hcn h THR 136 Ca 0.16 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 3hcn h THR 136 Cb 0.49 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3hcn h THR 136 CO 0.02 0.38 0.05 0.28 0.37 0.00 0.00 175.52 176.62 3hcn h SER 137 N 1.08 0.19 -0.58 4.18 0.02 -1.07 0.16 113.55 117.53 3hcn h SER 137 Ca 0.22 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3hcn h SER 137 Cb 0.39 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3hcn h SER 137 CO 0.00 0.31 0.36 0.11 -1.14 0.00 0.00 176.83 176.48 3hcn h LYS 138 N 0.06 0.70 -0.30 3.45 1.79 -1.10 0.07 116.57 121.24 3hcn h LYS 138 Ca 0.05 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 3hcn h LYS 138 Cb 0.18 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3hcn h LYS 138 CO -0.00 0.46 -0.18 1.96 -1.08 0.00 0.00 179.45 180.61 3hcn h GLN 139 N 0.72 0.54 -0.66 3.15 1.08 -1.07 -2.02 115.11 116.85 3hcn h GLN 139 Ca 0.22 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 3hcn h GLN 139 Cb -0.02 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 3hcn h GLN 139 CO -0.08 0.70 0.20 0.78 -0.95 0.00 0.00 178.83 179.48 3hcn h GLY 140 N 0.98 1.10 0.95 3.46 0.00 0.32 -0.05 103.07 109.83 3hcn h GLY 140 Ca 0.08 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 3hcn h GLY 140 CO 0.04 0.61 -0.01 0.83 0.00 0.00 0.00 176.54 178.01 3hcn h GLU 141 N 0.96 0.71 -0.55 4.80 5.08 -0.77 -1.78 114.58 123.03 3hcn h GLU 141 Ca 0.21 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3hcn h GLU 141 Cb 0.30 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3hcn h GLU 141 CO -0.01 0.80 0.14 0.78 -1.00 0.00 0.00 179.01 179.73 3hcn h GLY 142 N 0.53 0.95 0.84 -3.84 0.00 -1.21 -2.38 103.07 97.96 3hcn h GLY 142 Ca 0.11 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.86 3hcn h GLY 142 CO 0.02 0.55 -0.09 1.98 0.00 0.00 0.00 176.54 179.01 3hcn h MET 143 N 0.78 -0.16 -0.85 4.80 1.85 -0.87 -2.66 114.93 117.82 3hcn h MET 143 Ca 0.17 0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.31 3hcn h MET 143 Cb 0.34 0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.35 3hcn h MET 143 CO 0.00 -0.11 0.55 0.28 -0.40 0.00 0.00 176.91 177.23 3hcn h VAL 144 N -0.17 1.13 -0.71 -5.77 2.07 -1.24 -0.81 116.25 110.75 3hcn h VAL 144 Ca 0.02 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3hcn h VAL 144 Cb 0.19 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 3hcn h VAL 144 CO -0.06 0.19 0.45 0.11 0.02 0.00 0.00 177.57 178.29 3hcn h LYS 145 N 1.06 0.95 -0.40 1.57 1.57 -1.24 -1.30 116.57 118.78 3hcn h LYS 145 Ca 0.34 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3hcn h LYS 145 Cb 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3hcn h LYS 145 CO -0.12 0.65 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.03 3hcn h LEU 146 N 0.96 0.97 -1.15 2.94 3.38 -1.12 -3.16 115.31 118.14 3hcn h LEU 146 Ca 0.26 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3hcn h LEU 146 Cb -0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 3hcn h LEU 146 CO -0.05 1.21 0.19 -0.07 0.09 0.00 0.00 178.44 179.81 3hcn h LEU 147 N 0.75 0.72 -2.15 1.67 3.38 -0.79 0.93 115.31 119.82 3hcn h LEU 147 Ca 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hcn h LEU 147 Cb 0.90 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3hcn h LEU 147 CO 0.08 0.67 -0.07 0.44 0.09 0.00 0.00 178.44 179.65 3hcn h ASP 148 N 0.77 0.00 0.12 -0.43 3.32 -1.21 0.66 116.42 119.66 3hcn h ASP 148 Ca 0.18 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.87 3hcn h ASP 148 Cb 0.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3hcn h ASP 148 CO -0.01 0.07 -2.10 -0.62 -1.72 0.00 0.00 179.24 174.85 3hcn n GLU 149 N -3.51 0.72 -0.09 3.56 -0.58 -0.73 -4.09 120.64 115.92 3hcn n GLU 149 Ca -0.02 0.23 -0.14 0.00 -0.42 0.00 0.00 57.16 56.81 3hcn n GLU 149 Cb 0.19 -1.67 -0.04 0.00 -0.57 0.00 0.00 31.44 29.35 3hcn n GLU 149 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hcn h LEU 150 N 0.05 0.78 -6.57 -4.62 3.38 -0.51 -3.38 115.31 104.44 3hcn h LEU 150 Ca -0.45 -0.49 -0.60 0.00 0.09 0.00 0.00 57.88 56.42 3hcn h LEU 150 Cb 2.01 -0.22 -0.41 0.00 0.09 0.00 0.00 40.66 42.13 3hcn h LEU 150 CO 0.04 1.11 -0.72 -0.24 0.09 0.00 0.00 178.44 178.73 3hcn n SER 151 N -4.22 2.22 0.25 -0.43 2.88 0.20 -4.94 113.62 109.57 3hcn n SER 151 Ca -0.04 -3.06 0.13 0.00 -1.33 0.00 0.00 58.87 54.57 3hcn n SER 151 Cb 0.50 -0.68 0.78 0.00 -0.75 0.00 0.00 64.21 64.06 3hcn n SER 151 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hcn h PRO 152 N 4.92 0.00 0.00 -1.46 0.13 -1.76 -2.21 132.00 131.62 3hcn h PRO 152 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3hcn h PRO 152 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 3hcn h PRO 152 CO 0.65 0.00 -0.00 -0.91 -0.23 0.00 0.00 178.00 177.51 3hcn h ASN 153 N 0.00 0.00 -0.09 1.44 2.35 -1.92 -2.93 115.58 114.42 3hcn h ASN 153 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3hcn h ASN 153 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3hcn h ASN 153 CO -0.00 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.13 3hcn n THR 154 N -3.09 0.21 -2.37 2.81 -2.24 -0.85 -5.00 114.28 103.74 3hcn n THR 154 Ca 0.01 -0.61 -0.32 0.00 -2.27 0.00 0.00 64.05 60.86 3hcn n THR 154 Cb 0.34 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 3hcn n THR 154 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hcn s ALA 155 N -1.00 2.98 0.41 6.98 0.00 -1.07 -3.57 121.76 126.49 3hcn s ALA 155 Ca 0.16 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 3hcn s ALA 155 Cb 0.11 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 3hcn s ALA 155 CO 0.15 -0.33 0.98 -1.25 0.00 0.00 0.00 175.76 175.32 3hcn s PRO 156 N -3.92 4.21 0.12 0.00 0.04 -1.26 -4.75 135.00 129.43 3hcn s PRO 156 Ca 0.61 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.95 3hcn s PRO 156 Cb -0.12 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 3hcn s PRO 156 CO 0.30 -0.06 0.17 -1.01 0.04 0.00 0.00 177.00 176.44 3hcn s HIS 157 N -1.94 3.31 -0.04 0.56 3.76 -1.26 -1.60 115.29 118.08 3hcn s HIS 157 Ca 0.60 0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 55.58 3hcn s HIS 157 Cb -0.14 -1.62 0.02 0.00 1.11 0.00 0.00 32.58 31.94 3hcn s HIS 157 CO 0.19 0.53 0.09 0.21 -0.85 0.00 0.00 174.74 174.91 3hcn s LYS 158 N -2.85 0.07 0.08 1.40 2.20 -0.23 -4.95 119.74 115.45 3hcn s LYS 158 Ca 0.32 0.20 -0.02 0.00 -0.36 0.00 0.00 55.97 56.11 3hcn s LYS 158 Cb -0.11 -0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 36.09 3hcn s LYS 158 CO 0.25 -0.08 0.27 1.52 -0.36 0.00 0.00 175.35 176.95 3hcn s TYR 159 N 0.56 3.51 -0.02 4.03 -0.85 -1.26 -0.56 117.35 122.76 3hcn s TYR 159 Ca -0.04 0.38 0.02 0.00 -0.52 0.00 0.00 57.07 56.92 3hcn s TYR 159 Cb -0.06 -1.86 0.00 0.00 0.38 0.00 0.00 41.96 40.42 3hcn s TYR 159 CO -0.02 0.54 -0.09 0.71 -1.52 0.00 0.00 175.55 175.17 3hcn s TYR 160 N -1.53 0.89 -0.21 -3.49 1.51 0.24 -4.89 117.35 109.86 3hcn s TYR 160 Ca 0.36 -0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 56.05 3hcn s TYR 160 Cb -0.13 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 3hcn s TYR 160 CO 0.25 -0.07 0.44 0.42 -1.11 0.00 0.00 175.55 175.48 3hcn s ILE 161 N 0.09 5.16 -0.50 2.71 1.01 -1.26 -0.10 121.20 128.31 3hcn s ILE 161 Ca -0.01 0.79 0.04 0.00 0.00 0.00 0.00 60.65 61.47 3hcn s ILE 161 Cb -0.07 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.76 3hcn s ILE 161 CO 0.00 0.21 0.25 -0.83 0.00 0.00 0.00 174.94 174.57 3hcn s GLY 162 N 1.16 2.26 0.08 6.18 0.00 0.18 -4.64 107.32 112.53 3hcn s GLY 162 Ca 0.21 -3.11 -0.20 0.00 0.00 0.00 0.00 44.72 41.62 3hcn s GLY 162 CO 0.09 1.13 0.58 -1.36 0.00 0.00 0.00 173.10 173.54 3hcn s PHE 163 N -0.13 3.81 0.13 1.90 2.99 -0.36 -2.59 117.98 123.74 3hcn s PHE 163 Ca 0.17 1.29 -0.09 0.00 0.00 0.00 0.00 56.93 58.29 3hcn s PHE 163 Cb -0.26 -2.51 -0.07 0.00 0.00 0.00 0.00 43.02 40.18 3hcn s PHE 163 CO -0.00 0.58 1.38 -0.09 -0.00 0.00 0.00 175.22 177.09 3hcn h ARG 164 N 4.54 0.74 -0.02 0.44 9.65 -1.00 -1.14 114.38 127.60 3hcn h ARG 164 Ca -0.49 -0.54 0.00 0.00 -1.10 0.00 0.00 59.98 57.84 3hcn h ARG 164 Cb 1.21 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 3hcn h ARG 164 CO 0.64 1.16 0.00 0.66 2.80 0.00 0.00 179.97 185.23 3hcn n TYR 165 N -3.95 0.02 -4.00 2.20 0.53 -0.75 -4.78 117.16 106.43 3hcn n TYR 165 Ca -0.06 -0.06 -0.09 0.00 -1.02 0.00 0.00 57.90 56.67 3hcn n TYR 165 Cb 0.69 -0.01 -0.08 0.00 -1.03 0.00 0.00 39.34 38.91 3hcn n TYR 165 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 3hcn s VAL 166 N -0.38 0.11 0.28 -0.72 -7.23 -1.26 -4.25 120.40 106.95 3hcn s VAL 166 Ca 0.04 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 3hcn s VAL 166 Cb 0.03 -1.74 -0.10 0.00 0.56 0.00 0.00 36.38 35.14 3hcn s VAL 166 CO 0.04 -0.51 1.13 -1.00 -0.31 0.00 0.00 175.10 174.45 3hcn s HIS 167 N -3.96 3.51 -0.03 2.82 3.76 -1.26 -2.91 115.29 117.23 3hcn s HIS 167 Ca 0.15 1.65 -0.30 0.00 -0.15 0.00 0.00 55.06 56.41 3hcn s HIS 167 Cb 0.05 -3.34 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 3hcn s HIS 167 CO -0.03 -0.73 1.13 -1.25 -0.85 0.00 0.00 174.74 173.01 3hcn s PRO 168 N -1.39 4.42 0.59 8.40 0.04 -1.26 -4.99 135.00 140.81 3hcn s PRO 168 Ca 0.45 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 3hcn s PRO 168 Cb -0.33 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 3hcn s PRO 168 CO 0.42 -0.31 1.05 -0.51 0.04 0.00 0.00 177.00 177.69 3hcn s LEU 169 N 1.70 3.50 0.22 -3.56 1.43 -1.15 -1.22 118.68 119.60 3hcn s LEU 169 Ca 0.55 1.77 -0.09 0.00 -1.03 0.00 0.00 54.13 55.32 3hcn s LEU 169 Cb -0.24 -4.53 0.35 0.00 0.03 0.00 0.00 46.19 41.80 3hcn s LEU 169 CO 0.24 -1.09 1.67 0.74 0.23 0.00 0.00 176.35 178.14 3hcn h THR 170 N 0.45 0.49 -0.88 5.49 2.02 -1.44 0.09 112.91 119.13 3hcn h THR 170 Ca -0.47 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 3hcn h THR 170 Cb 1.21 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 3hcn h THR 170 CO 0.58 0.03 0.45 -0.33 0.37 0.00 0.00 175.52 176.62 3hcn h GLU 171 N 0.16 1.25 -0.26 6.66 3.07 -1.90 -1.66 114.58 121.90 3hcn h GLU 171 Ca 0.35 -0.17 -0.10 0.00 -0.50 0.00 0.00 59.36 58.95 3hcn h GLU 171 Cb 0.59 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 3hcn h GLU 171 CO -0.53 0.94 -0.26 0.93 -1.40 0.00 0.00 179.01 178.69 3hcn h GLU 172 N 1.24 0.50 -0.33 2.33 5.08 -1.42 -2.07 114.58 119.93 3hcn h GLU 172 Ca 0.30 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 3hcn h GLU 172 Cb 0.08 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3hcn h GLU 172 CO -0.04 0.72 -0.25 0.00 -1.00 0.00 0.00 179.01 178.43 3hcn h ALA 173 N 1.29 0.47 -0.53 3.43 0.00 -0.65 -2.24 119.26 121.02 3hcn h ALA 173 Ca 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3hcn h ALA 173 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3hcn h ALA 173 CO 0.05 0.46 0.20 0.82 0.00 0.00 0.00 179.25 180.79 3hcn h ILE 174 N 0.51 1.22 -0.49 0.00 2.04 -1.20 -0.32 117.51 119.28 3hcn h ILE 174 Ca 0.06 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.28 3hcn h ILE 174 Cb 0.82 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3hcn h ILE 174 CO 0.07 0.26 0.22 -0.08 0.00 0.00 0.00 178.15 178.62 3hcn h GLU 175 N 0.72 0.42 -0.46 2.37 4.81 -1.31 -1.03 114.58 120.10 3hcn h GLU 175 Ca 0.18 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 3hcn h GLU 175 Cb 0.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3hcn h GLU 175 CO -0.01 0.28 -0.20 1.49 -0.73 0.00 0.00 179.01 179.84 3hcn h GLU 176 N 0.43 0.91 -0.61 1.92 4.81 -1.08 -2.43 114.58 118.53 3hcn h GLU 176 Ca 0.23 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3hcn h GLU 176 Cb 0.18 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3hcn h GLU 176 CO -0.19 1.02 0.38 0.52 -0.73 0.00 0.00 179.01 180.02 3hcn h MET 177 N 0.79 0.74 -0.61 1.92 2.86 -0.39 -0.76 114.93 119.49 3hcn h MET 177 Ca 0.11 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3hcn h MET 177 Cb 0.75 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3hcn h MET 177 CO 0.06 0.49 0.15 0.93 1.06 0.00 0.00 176.91 179.60 3hcn h GLU 178 N 0.76 0.97 0.00 1.72 4.39 -1.12 -2.66 114.58 118.63 3hcn h GLU 178 Ca 0.24 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 3hcn h GLU 178 Cb -0.01 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3hcn h GLU 178 CO -0.09 0.88 -0.21 0.00 -1.16 0.00 0.00 179.01 178.43 3hcn h ARG 179 N 0.88 0.00 0.00 2.33 3.08 -0.91 -1.50 114.38 118.25 3hcn h ARG 179 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3hcn h ARG 179 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3hcn h ARG 179 CO 0.00 0.21 0.00 -0.25 -1.07 0.00 0.00 179.97 178.86 3hcn n ASP 180 N -3.87 0.00 -3.64 7.04 8.00 -0.34 -4.91 116.55 118.83 3hcn n ASP 180 Ca -0.02 -0.69 -0.24 0.00 0.71 0.00 0.00 54.79 54.55 3hcn n ASP 180 Cb 0.30 -0.09 0.07 0.00 -0.02 0.00 0.00 41.12 41.38 3hcn n ASP 180 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hcn n GLY 181 N 1.01 -0.48 3.75 0.44 0.00 -0.57 -4.73 105.19 104.61 3hcn n GLY 181 Ca 0.20 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 3hcn n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hcn s LEU 182 N -7.08 3.48 -0.11 0.99 1.43 -1.23 -4.95 118.68 111.21 3hcn s LEU 182 Ca 0.44 2.25 0.14 0.00 -1.03 0.00 0.00 54.13 55.93 3hcn s LEU 182 Cb -0.20 -4.58 -0.24 0.00 0.03 0.00 0.00 46.19 41.20 3hcn s LEU 182 CO 0.76 -1.80 0.41 -0.62 0.23 0.00 0.00 176.35 175.33 3hcn n GLU 183 N -2.18 0.66 -4.09 1.70 1.02 -0.53 -4.63 120.64 112.59 3hcn n GLU 183 Ca 0.12 0.18 -0.17 0.00 -0.02 0.00 0.00 57.16 57.28 3hcn n GLU 183 Cb 0.51 -1.68 -0.15 0.00 -0.02 0.00 0.00 31.44 30.09 3hcn n GLU 183 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hcn s ARG 184 N -2.55 0.44 -0.09 3.49 3.52 -1.11 -3.03 118.95 119.63 3hcn s ARG 184 Ca -0.08 -0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.45 3hcn s ARG 184 Cb 0.07 -0.48 0.01 0.00 -1.56 0.00 0.00 34.95 32.99 3hcn s ARG 184 CO 0.82 0.01 -0.15 0.00 -0.81 0.00 0.00 175.30 175.17 3hcn s ALA 185 N 0.36 1.53 -0.19 6.12 0.00 0.35 -0.73 121.76 129.20 3hcn s ALA 185 Ca -0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 3hcn s ALA 185 Cb -0.07 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3hcn s ALA 185 CO -0.00 0.05 -0.17 0.42 0.00 0.00 0.00 175.76 176.06 3hcn s ILE 186 N 0.77 2.36 -0.72 0.00 1.01 -0.07 -2.23 121.20 122.32 3hcn s ILE 186 Ca -0.12 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.46 3hcn s ILE 186 Cb -0.16 -2.01 0.06 0.00 0.01 0.00 0.00 42.46 40.36 3hcn s ILE 186 CO 0.02 0.51 1.09 0.00 0.00 0.00 0.00 174.94 176.56 3hcn s ALA 187 N 1.31 3.01 -0.53 9.38 0.00 -0.08 -0.26 121.76 134.58 3hcn s ALA 187 Ca 0.05 -1.79 -0.13 0.00 0.00 0.00 0.00 51.96 50.08 3hcn s ALA 187 Cb -0.13 -4.02 0.13 0.00 0.00 0.00 0.00 23.12 19.10 3hcn s ALA 187 CO -0.10 -2.98 0.46 0.12 0.00 0.00 0.00 175.76 173.26 3hcn s PHE 188 N 4.49 3.35 0.35 0.00 5.99 0.19 -1.10 117.98 131.25 3hcn s PHE 188 Ca 0.28 -1.58 -0.28 0.00 0.00 0.00 0.00 56.93 55.34 3hcn s PHE 188 Cb -0.13 -3.68 -0.10 0.00 0.00 0.00 0.00 43.02 39.11 3hcn s PHE 188 CO 0.09 -1.01 1.34 -0.08 -0.00 0.00 0.00 175.22 175.56 3hcn s THR 189 N 1.39 2.58 -2.17 0.12 -1.32 -0.86 -1.53 115.64 113.86 3hcn s THR 189 Ca 0.05 0.58 0.20 0.00 -1.21 0.00 0.00 61.69 61.30 3hcn s THR 189 Cb -0.27 -3.36 0.47 0.00 -1.51 0.00 0.00 72.50 67.83 3hcn s THR 189 CO 0.01 0.13 1.44 0.00 -2.21 0.00 0.00 174.62 173.98 3hcn n GLN 190 N 0.63 2.26 -3.53 7.08 1.13 0.73 -4.75 117.38 120.93 3hcn n GLN 190 Ca 0.01 -1.94 -0.40 0.00 -1.94 0.00 0.00 57.00 52.73 3hcn n GLN 190 Cb 0.42 -1.45 -0.10 0.00 0.11 0.00 0.00 30.24 29.21 3hcn n GLN 190 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3hcn s TYR 191 N -1.40 3.23 0.39 1.08 1.51 -1.26 -4.77 117.35 116.11 3hcn s TYR 191 Ca 0.37 -0.18 0.08 0.00 -1.01 0.00 0.00 57.07 56.34 3hcn s TYR 191 Cb 0.20 -2.48 0.78 0.00 -0.11 0.00 0.00 41.96 40.34 3hcn s TYR 191 CO 0.27 -0.35 1.95 -1.35 -1.11 0.00 0.00 175.55 174.96 3hcn h PRO 192 N 8.48 0.37 -5.42 -1.71 0.11 -1.86 -3.42 132.00 128.54 3hcn h PRO 192 Ca -0.31 -0.06 -0.63 0.00 0.11 0.00 0.00 66.00 65.10 3hcn h PRO 192 Cb 1.16 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 32.05 3hcn h PRO 192 CO 0.63 0.40 -0.59 -0.65 -0.21 0.00 0.00 178.00 177.59 3hcn s GLN 193 N -4.97 3.72 -0.06 1.05 1.11 -1.26 -0.64 119.66 118.61 3hcn s GLN 193 Ca -0.07 -0.37 -0.30 0.00 0.01 0.00 0.00 55.36 54.64 3hcn s GLN 193 Cb 0.16 -3.09 -0.02 0.00 -1.01 0.00 0.00 33.01 29.05 3hcn s GLN 193 CO 0.74 0.37 1.00 -0.47 0.01 0.00 0.00 175.29 176.95 3hcn s TYR 194 N 0.06 3.56 0.01 0.91 5.04 -1.26 -4.85 117.35 120.82 3hcn s TYR 194 Ca 0.04 1.63 0.03 0.00 -2.44 0.00 0.00 57.07 56.33 3hcn s TYR 194 Cb -0.12 -3.17 -0.01 0.00 0.35 0.00 0.00 41.96 39.00 3hcn s TYR 194 CO 0.01 -0.17 -0.11 0.45 -1.34 0.00 0.00 175.55 174.39 3hcn s SER 195 N 1.07 1.26 0.55 4.32 0.15 -1.26 -1.25 113.70 118.54 3hcn s SER 195 Ca 0.50 -0.30 0.32 0.00 0.70 0.00 0.00 55.95 57.17 3hcn s SER 195 Cb -0.20 -0.10 1.61 0.00 -1.71 0.00 0.00 66.02 65.62 3hcn s SER 195 CO 0.22 0.06 2.11 0.00 1.20 0.00 0.00 173.24 176.83 3hcn h SER 197 N 0.00 0.00 0.00 0.00 4.64 -1.92 -1.64 113.55 114.63 3hcn h SER 197 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hcn h SER 197 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3hcn h SER 197 CO 0.01 0.14 0.00 0.35 -0.87 0.00 0.00 176.83 176.46 3hcn n THR 198 N -3.17 0.00 -0.35 2.95 -2.24 -0.84 -4.46 114.28 106.17 3hcn n THR 198 Ca 0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.81 3hcn n THR 198 Cb 0.51 -0.42 0.16 0.00 -2.10 0.00 0.00 70.33 68.48 3hcn n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hcn h THR 199 N 0.00 1.16 -0.60 4.28 1.03 -1.75 -1.61 112.91 115.43 3hcn h THR 199 Ca 0.00 -0.42 0.04 0.00 -0.01 0.00 0.00 66.41 66.02 3hcn h THR 199 Cb 0.00 -0.17 -0.05 0.00 -1.07 0.00 0.00 68.15 66.86 3hcn h THR 199 CO 0.00 0.22 0.34 1.23 -0.01 0.00 0.00 175.52 177.30 3hcn h GLY 200 N 1.22 0.86 0.94 2.99 0.00 -1.36 0.85 103.07 108.57 3hcn h GLY 200 Ca 0.39 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 3hcn h GLY 200 CO -0.12 0.17 0.06 0.23 0.00 0.00 0.00 176.54 176.88 3hcn h SER 201 N 0.64 0.65 -0.63 0.19 0.87 -0.67 -0.13 113.55 114.47 3hcn h SER 201 Ca 0.26 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3hcn h SER 201 Cb 0.11 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 3hcn h SER 201 CO -0.15 0.74 0.25 0.28 -0.53 0.00 0.00 176.83 177.43 3hcn h SER 202 N 0.53 0.89 -0.23 6.23 0.02 -0.81 -0.88 113.55 119.29 3hcn h SER 202 Ca 0.12 -0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 3hcn h SER 202 Cb 0.37 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3hcn h SER 202 CO 0.01 0.81 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.92 3hcn h LEU 203 N 0.95 0.85 -1.94 5.07 3.38 -0.69 -2.87 115.31 120.06 3hcn h LEU 203 Ca 0.22 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3hcn h LEU 203 Cb 0.20 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hcn h LEU 203 CO -0.02 1.25 -0.04 0.78 0.09 0.00 0.00 178.44 180.50 3hcn h ASN 204 N 0.49 0.00 0.32 -0.43 4.21 -0.70 -0.89 115.58 118.58 3hcn h ASN 204 Ca 0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 3hcn h ASN 204 Cb 1.12 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.31 3hcn h ASN 204 CO 0.11 0.04 -0.35 0.00 -1.29 0.00 0.00 177.43 175.94 3hcn h ALA 205 N 1.96 1.36 -0.23 -0.83 0.00 -0.94 0.17 119.26 120.74 3hcn h ALA 205 Ca -0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 3hcn h ALA 205 Cb 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hcn h ALA 205 CO 0.01 0.47 -0.39 0.82 0.00 0.00 0.00 179.25 180.16 3hcn h ILE 206 N 0.05 1.32 -0.27 0.00 2.04 -1.09 -1.05 117.51 118.52 3hcn h ILE 206 Ca 0.00 -1.60 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 3hcn h ILE 206 Cb 0.65 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3hcn h ILE 206 CO 0.05 0.50 -0.00 0.22 0.00 0.00 0.00 178.15 178.92 3hcn h TYR 207 N 0.37 0.51 -0.81 1.37 3.20 -1.21 -3.03 116.97 117.37 3hcn h TYR 207 Ca 0.02 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.83 3hcn h TYR 207 Cb 0.98 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 3hcn h TYR 207 CO 0.08 0.63 0.53 0.00 -1.64 0.00 0.00 178.16 177.76 3hcn h ARG 208 N 0.25 0.98 0.51 1.82 3.08 -0.63 -1.51 114.38 118.87 3hcn h ARG 208 Ca 0.07 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3hcn h ARG 208 Cb 0.43 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3hcn h ARG 208 CO 0.01 0.65 -0.35 -0.92 -1.07 0.00 0.00 179.97 178.29 3hcn h TYR 209 N 1.01 -0.94 -0.18 3.04 3.20 -1.07 0.12 116.97 122.16 3hcn h TYR 209 Ca 0.32 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.13 3hcn h TYR 209 Cb 0.02 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3hcn h TYR 209 CO -0.00 -0.52 -0.11 1.88 -1.64 0.00 0.00 178.16 177.76 3hcn h TYR 210 N -0.84 0.29 0.00 -3.82 -1.99 -1.45 -0.60 116.97 108.56 3hcn h TYR 210 Ca -0.06 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.64 3hcn h TYR 210 Cb 0.70 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.34 3hcn h TYR 210 CO -0.13 0.39 0.00 -1.71 -0.00 0.00 0.00 178.16 176.71 3hcn n ASN 211 N -4.28 0.35 -0.02 3.88 2.85 -0.59 -2.01 115.26 115.44 3hcn n ASN 211 Ca -0.00 0.54 -0.22 0.00 -0.11 0.00 0.00 54.58 54.79 3hcn n ASN 211 Cb 0.26 -0.63 -0.13 0.00 1.24 0.00 0.00 39.78 40.52 3hcn n ASN 211 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 3hcn h GLN 212 N 0.00 0.19 -0.00 1.20 5.75 0.59 -3.35 115.11 119.49 3hcn h GLN 212 Ca 0.00 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 3hcn h GLN 212 Cb 0.56 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.23 3hcn h GLN 212 CO 0.00 1.16 -0.01 1.33 -2.65 0.00 0.00 178.83 178.66 3hcn n VAL 213 N -3.81 0.00 -3.32 2.39 0.24 -0.37 -4.92 118.33 108.54 3hcn n VAL 213 Ca -0.31 -0.07 -0.24 0.00 -2.04 0.00 0.00 64.34 61.69 3hcn n VAL 213 Cb 0.93 -0.22 0.02 0.00 -1.47 0.00 0.00 33.84 33.10 3hcn n VAL 213 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hcn n GLY 214 N 1.09 -0.51 3.10 7.63 0.00 -0.85 -4.98 105.19 110.67 3hcn n GLY 214 Ca 0.21 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 3hcn n GLY 214 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hcn s ARG 215 N -5.99 0.63 0.08 1.61 0.52 -1.09 -5.07 118.95 109.64 3hcn s ARG 215 Ca 0.41 -1.01 -0.10 0.00 -0.52 0.00 0.00 55.73 54.51 3hcn s ARG 215 Cb -0.20 -0.15 -0.06 0.00 0.52 0.00 0.00 34.95 35.07 3hcn s ARG 215 CO 0.51 -0.01 0.40 0.15 0.02 0.00 0.00 175.30 176.37 3hcn s LYS 216 N -2.71 3.76 0.30 3.54 1.02 -1.26 -4.66 119.74 119.73 3hcn s LYS 216 Ca -0.00 0.17 -0.28 0.00 0.02 0.00 0.00 55.97 55.87 3hcn s LYS 216 Cb -0.02 -2.99 -0.14 0.00 -0.52 0.00 0.00 37.83 34.17 3hcn s LYS 216 CO -0.03 0.55 1.10 -2.30 -0.92 0.00 0.00 175.35 173.76 3hcn n PRO 217 N 0.87 1.57 -0.33 -1.68 -0.02 -1.26 -4.88 135.00 129.27 3hcn n PRO 217 Ca -0.08 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 3hcn n PRO 217 Cb 0.52 -1.99 0.30 0.00 -0.02 0.00 0.00 33.50 32.31 3hcn n PRO 217 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hcn n THR 218 N 0.37 0.88 -4.31 3.45 -2.24 -1.26 -4.91 114.28 106.25 3hcn n THR 218 Ca 0.09 -0.91 -0.18 0.00 -2.27 0.00 0.00 64.05 60.77 3hcn n THR 218 Cb 0.33 0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 69.00 3hcn n THR 218 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3hcn s MET 219 N -1.12 1.21 -0.38 -0.78 -1.94 -1.26 -4.90 119.30 110.12 3hcn s MET 219 Ca 0.46 -1.46 -0.23 0.00 -1.71 0.00 0.00 55.69 52.75 3hcn s MET 219 Cb 0.24 -1.03 0.01 0.00 2.01 0.00 0.00 34.83 36.06 3hcn s MET 219 CO 0.32 0.18 0.79 0.21 -0.01 0.00 0.00 175.02 176.51 3hcn s LYS 220 N -3.30 3.69 0.21 2.03 2.47 -1.17 -4.90 119.74 118.77 3hcn s LYS 220 Ca 0.17 0.25 0.01 0.00 -1.56 0.00 0.00 55.97 54.85 3hcn s LYS 220 Cb -0.02 -3.83 -0.04 0.00 -1.46 0.00 0.00 37.83 32.48 3hcn s LYS 220 CO 0.05 -0.91 0.37 -1.58 0.16 0.00 0.00 175.35 173.44 3hcn s TRP 221 N 3.17 3.48 0.19 4.03 0.52 -1.26 -0.50 118.94 128.57 3hcn s TRP 221 Ca 0.31 0.21 -0.23 0.00 0.02 0.00 0.00 56.10 56.41 3hcn s TRP 221 Cb -0.13 -1.75 0.05 0.00 -1.15 0.00 0.00 33.47 30.49 3hcn s TRP 221 CO 0.18 0.40 0.78 -1.54 0.02 0.00 0.00 176.95 176.79 3hcn s SER 222 N -3.44 -0.31 -0.02 2.95 1.04 -0.95 -4.83 113.70 108.15 3hcn s SER 222 Ca 0.37 -0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 3hcn s SER 222 Cb -0.10 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3hcn s SER 222 CO 0.30 -1.08 0.10 0.28 0.98 0.00 0.00 173.24 173.82 3hcn s THR 223 N -3.63 0.05 -0.62 2.02 -1.32 0.26 -0.90 115.64 111.48 3hcn s THR 223 Ca 0.09 -0.39 -0.08 0.00 -1.21 0.00 0.00 61.69 60.10 3hcn s THR 223 Cb -0.03 -0.28 0.16 0.00 -1.51 0.00 0.00 72.50 70.84 3hcn s THR 223 CO 0.00 -0.22 0.49 -0.63 -2.21 0.00 0.00 174.62 172.05 3hcn s ILE 224 N -0.70 4.33 -1.21 5.08 1.01 -0.26 -3.98 121.20 125.47 3hcn s ILE 224 Ca -0.08 -2.45 0.26 0.00 0.00 0.00 0.00 60.65 58.38 3hcn s ILE 224 Cb -0.05 -3.79 0.11 0.00 0.01 0.00 0.00 42.46 38.74 3hcn s ILE 224 CO 0.01 -0.88 1.51 -0.90 0.00 0.00 0.00 174.94 174.68 3hcn n ASP 225 N 4.08 0.58 -3.54 3.58 5.75 -1.26 -2.03 116.55 123.70 3hcn n ASP 225 Ca 0.04 -0.35 -0.08 0.00 -0.01 0.00 0.00 54.79 54.38 3hcn n ASP 225 Cb 0.41 0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.62 3hcn n ASP 225 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hcn s ARG 226 N -2.86 0.67 -0.40 0.11 1.70 -1.26 -4.61 118.95 112.30 3hcn s ARG 226 Ca 0.15 -0.13 0.06 0.00 -0.47 0.00 0.00 55.73 55.35 3hcn s ARG 226 Cb 0.18 0.31 0.31 0.00 -0.57 0.00 0.00 34.95 35.18 3hcn s ARG 226 CO 0.63 -0.27 1.24 -2.67 -1.08 0.00 0.00 175.30 173.16 3hcn n TRP 227 N 0.10 -1.99 0.30 5.89 4.27 0.18 -5.03 117.44 121.16 3hcn n TRP 227 Ca -0.08 -1.64 0.18 0.00 -3.89 0.00 0.00 57.50 52.07 3hcn n TRP 227 Cb 0.60 1.49 0.95 0.00 -1.36 0.00 0.00 31.31 32.99 3hcn n TRP 227 CO 0.00 0.00 0.00 -1.00 -2.29 0.00 0.00 177.69 174.40 3hcn h PRO 228 N 2.20 0.00 0.00 -2.67 0.13 -1.63 -3.18 132.00 126.85 3hcn h PRO 228 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hcn h PRO 228 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hcn h PRO 228 CO -0.02 0.03 -0.12 0.25 -0.23 0.00 0.00 178.00 177.92 3hcn n THR 229 N -3.41 1.45 -1.66 1.56 -2.24 -1.26 -4.06 114.28 104.66 3hcn n THR 229 Ca -0.02 -1.74 -0.48 0.00 -2.27 0.00 0.00 64.05 59.54 3hcn n THR 229 Cb 0.15 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 3hcn n THR 229 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3hcn n HIS 230 N -1.11 2.14 -0.24 4.78 -0.00 -1.20 -4.80 115.22 114.79 3hcn n HIS 230 Ca 0.12 0.30 0.16 0.00 0.46 0.00 0.00 57.72 58.77 3hcn n HIS 230 Cb 0.65 -2.52 0.47 0.00 -0.12 0.00 0.00 29.99 28.47 3hcn n HIS 230 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3hcn h HIS 231 N 6.16 0.63 0.00 1.57 2.07 -1.96 -0.82 115.15 122.80 3hcn h HIS 231 Ca -0.46 0.02 -0.18 0.00 -2.85 0.00 0.00 60.37 56.90 3hcn h HIS 231 Cb 1.27 -0.19 -0.02 0.00 2.57 0.00 0.00 27.41 31.04 3hcn h HIS 231 CO 0.66 0.19 -0.85 -0.07 -3.07 0.00 0.00 177.93 174.79 3hcn h LEU 232 N 0.50 0.12 -0.22 6.12 3.38 -1.94 -0.90 115.31 122.36 3hcn h LEU 232 Ca 0.46 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 3hcn h LEU 232 Cb 1.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3hcn h LEU 232 CO -0.19 0.91 0.05 0.25 0.09 0.00 0.00 178.44 179.55 3hcn h LEU 233 N 0.05 0.34 -0.85 1.67 5.85 -1.54 -1.05 115.31 119.78 3hcn h LEU 233 Ca -0.03 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3hcn h LEU 233 Cb 1.48 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 3hcn h LEU 233 CO 0.12 0.50 0.52 0.40 -0.34 0.00 0.00 178.44 179.64 3hcn h ILE 234 N 0.17 1.24 -0.82 4.05 1.08 -1.19 -1.63 117.51 120.40 3hcn h ILE 234 Ca 0.07 -0.51 -0.04 0.00 -0.39 0.00 0.00 64.86 63.99 3hcn h ILE 234 Cb 0.30 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.04 3hcn h ILE 234 CO 0.00 0.24 0.37 -0.61 -0.69 0.00 0.00 178.15 177.47 3hcn h GLN 235 N 1.17 1.20 -0.12 2.37 4.15 -0.91 -1.21 115.11 121.76 3hcn h GLN 235 Ca 0.31 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 3hcn h GLN 235 Cb -0.06 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 3hcn h GLN 235 CO -0.06 0.94 0.06 0.00 -1.93 0.00 0.00 178.83 177.85 3hcn h PHE 237 N 0.09 0.50 -0.53 0.00 0.05 -1.05 -0.98 116.94 115.02 3hcn h PHE 237 Ca 0.04 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.85 3hcn h PHE 237 Cb 0.07 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 37.84 3hcn h PHE 237 CO -0.04 0.28 0.33 0.00 -0.18 0.00 0.00 178.31 178.70 3hcn h ALA 238 N 1.21 0.68 -0.56 2.45 0.00 -1.03 -0.69 119.26 121.32 3hcn h ALA 238 Ca 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hcn h ALA 238 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hcn h ALA 238 CO -0.09 0.15 0.35 -0.44 0.00 0.00 0.00 179.25 179.22 3hcn h ASP 239 N 0.72 0.66 0.38 0.00 3.45 -0.63 -0.91 116.42 120.09 3hcn h ASP 239 Ca 0.19 -0.04 -0.10 0.00 0.43 0.00 0.00 57.03 57.51 3hcn h ASP 239 Cb -0.04 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 3hcn h ASP 239 CO -0.04 0.51 -0.45 0.45 -1.57 0.00 0.00 179.24 178.15 3hcn h HIS 240 N 0.76 0.10 -0.17 4.55 3.86 -0.86 -1.02 115.15 122.36 3hcn h HIS 240 Ca 0.20 -0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 3hcn h HIS 240 Cb -0.04 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 3hcn h HIS 240 CO -0.03 0.52 -0.25 0.82 0.86 0.00 0.00 177.93 179.85 3hcn h ILE 241 N 0.07 1.35 -0.83 2.45 2.04 -0.74 -2.05 117.51 119.80 3hcn h ILE 241 Ca 0.00 -1.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.36 3hcn h ILE 241 Cb 0.82 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.76 3hcn h ILE 241 CO 0.06 0.44 0.37 -0.07 0.00 0.00 0.00 178.15 178.96 3hcn h LEU 242 N 0.11 1.11 -0.90 1.44 3.38 -1.04 0.27 115.31 119.68 3hcn h LEU 242 Ca 0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3hcn h LEU 242 Cb 0.82 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3hcn h LEU 242 CO 0.06 0.95 0.21 0.50 0.09 0.00 0.00 178.44 180.25 3hcn h LYS 243 N 1.19 1.02 -0.00 1.13 3.64 -1.16 -2.64 116.57 119.76 3hcn h LYS 243 Ca 0.28 -0.20 -0.20 0.00 -1.27 0.00 0.00 60.65 59.25 3hcn h LYS 243 Cb 0.15 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3hcn h LYS 243 CO -0.03 0.87 -0.88 1.49 -2.27 0.00 0.00 179.45 178.63 3hcn h GLU 244 N 0.99 0.28 -0.31 1.90 4.57 -0.87 -3.08 114.58 118.06 3hcn h GLU 244 Ca 0.22 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3hcn h GLU 244 Cb 0.27 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 3hcn h GLU 244 CO -0.01 1.00 0.19 -0.07 -1.18 0.00 0.00 179.01 178.94 3hcn h LEU 245 N 0.16 0.37 -1.69 1.64 3.38 -0.71 -0.71 115.31 117.74 3hcn h LEU 245 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hcn h LEU 245 Cb 1.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3hcn h LEU 245 CO 0.14 0.28 0.00 0.44 0.09 0.00 0.00 178.44 179.39 3hcn h ASP 246 N 0.43 0.00 1.07 -0.43 3.45 -1.37 -1.14 116.42 118.42 3hcn h ASP 246 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3hcn h ASP 246 Cb -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 3hcn h ASP 246 CO -0.02 0.00 -0.25 1.41 -1.57 0.00 0.00 179.24 178.81 3hcn n HIS 247 N -2.52 0.50 -3.11 4.55 8.25 -0.27 -4.84 115.22 117.78 3hcn n HIS 247 Ca -0.01 0.15 -0.30 0.00 -0.26 0.00 0.00 57.72 57.29 3hcn n HIS 247 Cb 0.10 -0.67 -0.04 0.00 1.12 0.00 0.00 29.99 30.50 3hcn n HIS 247 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hcn s PHE 248 N -3.08 3.46 0.25 4.41 0.40 -0.43 -5.01 117.98 117.97 3hcn s PHE 248 Ca 0.10 0.91 -0.31 0.00 -0.60 0.00 0.00 56.93 57.03 3hcn s PHE 248 Cb 0.15 -2.32 -0.13 0.00 0.51 0.00 0.00 43.02 41.23 3hcn s PHE 248 CO 0.63 0.05 1.44 -2.30 0.70 0.00 0.00 175.22 175.74 3hcn n PRO 249 N -0.96 2.16 -0.34 0.24 -0.02 -1.26 -4.72 135.00 130.10 3hcn n PRO 249 Ca 0.01 0.77 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 3hcn n PRO 249 Cb 0.54 -2.45 0.30 0.00 -0.02 0.00 0.00 33.50 31.87 3hcn n PRO 249 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hcn h LEU 250 N 4.29 0.75 -0.20 2.45 6.46 -1.92 0.20 115.31 127.34 3hcn h LEU 250 Ca -0.45 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 3hcn h LEU 250 Cb 1.27 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 3hcn h LEU 250 CO 0.76 0.28 0.00 -1.84 -0.62 0.00 0.00 178.44 177.02 3hcn n GLU 251 N -4.78 0.05 -0.00 1.25 0.00 -1.26 -3.18 120.64 112.72 3hcn n GLU 251 Ca 0.22 0.31 0.01 0.00 0.00 0.00 0.00 57.16 57.69 3hcn n GLU 251 Cb 0.54 -1.60 -0.01 0.00 0.00 0.00 0.00 31.44 30.37 3hcn n GLU 251 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hcn n LYS 252 N -1.70 6.28 -0.30 3.44 4.76 0.50 -4.76 118.16 126.39 3hcn n LYS 252 Ca 0.03 -0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.59 3hcn n LYS 252 Cb 0.18 -0.58 0.29 0.00 -1.84 0.00 0.00 35.03 33.08 3hcn n LYS 252 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3hcn h ARG 253 N 0.00 0.29 0.00 1.97 2.43 -0.97 0.20 114.38 118.30 3hcn h ARG 253 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hcn h ARG 253 Cb 0.03 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3hcn h ARG 253 CO 0.00 0.19 -0.01 0.66 -1.51 0.00 0.00 179.97 179.31 3hcn h SER 254 N 0.30 0.00 0.25 -3.80 4.64 -1.86 -2.66 113.55 110.42 3hcn h SER 254 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3hcn h SER 254 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3hcn h SER 254 CO -0.58 0.01 -0.66 -0.62 -0.87 0.00 0.00 176.83 174.10 3hcn n GLU 255 N -3.11 0.15 -1.76 4.77 4.71 0.68 -4.80 120.64 121.28 3hcn n GLU 255 Ca -0.01 -0.11 -0.42 0.00 -0.01 0.00 0.00 57.16 56.61 3hcn n GLU 255 Cb 0.20 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.12 3hcn n GLU 255 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3hcn s VAL 256 N -2.92 2.03 -0.18 2.62 1.01 -1.01 -4.79 120.40 117.16 3hcn s VAL 256 Ca 0.12 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 3hcn s VAL 256 Cb 0.17 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3hcn s VAL 256 CO 0.74 0.00 0.38 -0.69 0.00 0.00 0.00 175.10 175.53 3hcn s VAL 257 N 0.10 5.23 -0.38 2.92 1.01 -0.54 -4.24 120.40 124.48 3hcn s VAL 257 Ca 0.64 0.70 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 3hcn s VAL 257 Cb -0.48 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.19 3hcn s VAL 257 CO 0.47 0.30 0.65 -0.63 0.00 0.00 0.00 175.10 175.88 3hcn s ILE 258 N 0.97 4.86 -0.51 2.22 1.01 -0.32 -0.42 121.20 129.01 3hcn s ILE 258 Ca 0.19 0.44 -0.09 0.00 0.00 0.00 0.00 60.65 61.19 3hcn s ILE 258 Cb -0.14 -4.13 0.13 0.00 0.01 0.00 0.00 42.46 38.33 3hcn s ILE 258 CO 0.07 -0.42 0.39 -0.22 0.00 0.00 0.00 174.94 174.77 3hcn s LEU 259 N 2.77 5.77 -0.00 2.97 2.96 0.94 -2.26 118.68 131.83 3hcn s LEU 259 Ca 0.24 -2.04 -0.30 0.00 -0.22 0.00 0.00 54.13 51.81 3hcn s LEU 259 Cb -0.14 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 3hcn s LEU 259 CO 0.16 -0.67 1.31 -0.36 -1.32 0.00 0.00 176.35 175.47 3hcn s PHE 260 N 1.18 3.05 -0.21 5.38 0.40 -0.47 -1.24 117.98 126.08 3hcn s PHE 260 Ca 0.07 1.01 0.01 0.00 -0.60 0.00 0.00 56.93 57.43 3hcn s PHE 260 Cb -0.25 -3.56 0.04 0.00 0.51 0.00 0.00 43.02 39.76 3hcn s PHE 260 CO -0.01 -1.93 -0.14 0.45 0.70 0.00 0.00 175.22 174.28 3hcn s SER 261 N 1.61 3.55 0.16 1.36 0.15 -0.16 -0.31 113.70 120.06 3hcn s SER 261 Ca 0.61 -0.92 0.09 0.00 0.70 0.00 0.00 55.95 56.42 3hcn s SER 261 Cb -0.29 -1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 3hcn s SER 261 CO 0.25 -0.10 -0.15 0.00 1.20 0.00 0.00 173.24 174.44 3hcn s ALA 262 N 1.28 2.78 0.31 5.45 0.00 -0.85 -3.48 121.76 127.24 3hcn s ALA 262 Ca -0.01 -1.45 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 3hcn s ALA 262 Cb -0.16 -0.64 -0.11 0.00 0.00 0.00 0.00 23.12 22.22 3hcn s ALA 262 CO -0.09 0.51 1.44 -1.01 0.00 0.00 0.00 175.76 176.61 3hcn s HIS 263 N -1.48 2.87 0.93 0.00 3.76 -1.26 -0.92 115.29 119.18 3hcn s HIS 263 Ca 0.22 1.13 -0.13 0.00 -0.15 0.00 0.00 55.06 56.12 3hcn s HIS 263 Cb -0.09 -3.88 0.15 0.00 1.11 0.00 0.00 32.58 29.87 3hcn s HIS 263 CO 0.12 -2.69 1.16 0.45 -0.85 0.00 0.00 174.74 172.94 3hcn s SER 264 N 0.03 3.37 0.07 1.40 0.15 -0.80 -4.76 113.70 113.16 3hcn s SER 264 Ca 0.55 0.84 0.06 0.00 0.70 0.00 0.00 55.95 58.10 3hcn s SER 264 Cb -0.43 -1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.53 3hcn s SER 264 CO 0.52 -2.63 -0.16 -0.76 1.20 0.00 0.00 173.24 171.41 3hcn s LEU 265 N -6.04 2.27 0.49 3.45 1.43 -1.26 -4.92 118.68 114.10 3hcn s LEU 265 Ca 0.65 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.91 3hcn s LEU 265 Cb -0.13 -0.62 -0.07 0.00 0.03 0.00 0.00 46.19 45.40 3hcn s LEU 265 CO 0.53 -0.03 1.24 -2.84 0.23 0.00 0.00 176.35 175.48 3hcn s PRO 266 N -1.70 3.56 0.57 1.29 0.02 -1.26 -1.05 135.00 136.43 3hcn s PRO 266 Ca 0.01 1.94 0.26 0.00 0.02 0.00 0.00 61.00 63.23 3hcn s PRO 266 Cb -0.10 -2.37 1.68 0.00 0.02 0.00 0.00 34.50 33.74 3hcn s PRO 266 CO 0.03 -0.77 2.23 0.52 -0.33 0.00 0.00 177.00 178.68 3hcn h MET 267 N 1.87 0.00 0.00 5.54 2.86 -1.44 0.11 114.93 123.87 3hcn h MET 267 Ca -0.50 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.09 3hcn h MET 267 Cb 1.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 3hcn h MET 267 CO 0.59 0.00 -0.24 0.66 1.06 0.00 0.00 176.91 178.98 3hcn h SER 268 N 0.00 0.00 0.19 1.22 4.64 -1.89 0.18 113.55 117.89 3hcn h SER 268 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 3hcn h SER 268 Cb 0.01 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3hcn h SER 268 CO -0.00 0.24 -1.53 0.58 -0.87 0.00 0.00 176.83 175.25 3hcn h VAL 269 N 0.00 1.10 -0.11 0.95 2.07 -1.37 -3.08 116.25 115.82 3hcn h VAL 269 Ca -0.00 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.97 3hcn h VAL 269 Cb 0.49 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 3hcn h VAL 269 CO 0.03 0.81 0.07 0.58 0.02 0.00 0.00 177.57 179.08 3hcn h VAL 270 N 0.00 1.03 0.00 2.57 2.07 -1.03 -2.64 116.25 118.25 3hcn h VAL 270 Ca -0.30 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3hcn h VAL 270 Cb 2.02 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 3hcn h VAL 270 CO 0.18 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.39 3hcn n ASN 271 N -5.01 0.00 -0.13 0.57 3.02 0.60 -1.71 115.26 112.60 3hcn n ASN 271 Ca -0.05 0.40 0.12 0.00 -0.03 0.00 0.00 54.58 55.02 3hcn n ASN 271 Cb 0.03 -0.45 0.22 0.00 -0.61 0.00 0.00 39.78 38.97 3hcn n ASN 271 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hcn n ARG 272 N -1.45 0.40 0.00 3.52 1.85 -1.01 -4.92 116.66 115.05 3hcn n ARG 272 Ca 0.04 -0.26 0.00 0.00 -1.00 0.00 0.00 57.85 56.63 3hcn n ARG 272 Cb 0.14 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 3hcn n ARG 272 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hcn n GLY 273 N 1.44 1.57 3.69 2.89 0.00 -0.69 -1.84 105.19 112.25 3hcn n GLY 273 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 3hcn n GLY 273 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hcn n ASP 274 N 0.00 3.26 0.26 1.61 2.03 -1.15 -4.71 116.55 117.85 3hcn n ASP 274 Ca 0.00 1.12 0.16 0.00 0.52 0.00 0.00 54.79 56.59 3hcn n ASP 274 Cb 0.00 -1.48 0.64 0.00 -0.72 0.00 0.00 41.12 39.55 3hcn n ASP 274 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hcn h PRO 275 N 5.14 0.00 -0.13 -0.67 0.11 -1.94 -3.39 132.00 131.11 3hcn h PRO 275 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 3hcn h PRO 275 Cb 1.25 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 3hcn h PRO 275 CO 0.83 0.00 -0.35 -0.92 -0.21 0.00 0.00 178.00 177.35 3hcn h TYR 276 N 0.00 -0.97 -0.83 0.65 3.20 -1.52 -2.53 116.97 114.98 3hcn h TYR 276 Ca 0.00 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.02 3hcn h TYR 276 Cb 0.52 0.45 -0.08 0.00 1.54 0.00 0.00 36.73 39.16 3hcn h TYR 276 CO 0.00 -0.42 0.46 -1.35 -1.64 0.00 0.00 178.16 175.21 3hcn h PRO 277 N -0.42 0.71 -0.44 1.82 0.11 -1.88 0.75 132.00 132.64 3hcn h PRO 277 Ca 0.09 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.03 3hcn h PRO 277 Cb 0.57 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3hcn h PRO 277 CO -0.37 0.47 -0.24 0.37 -0.21 0.00 0.00 178.00 178.02 3hcn h GLN 278 N 0.73 0.92 -0.32 1.05 -0.00 -1.83 -1.85 115.11 113.82 3hcn h GLN 278 Ca 0.42 -0.39 -0.18 0.00 -0.00 0.00 0.00 58.65 58.50 3hcn h GLN 278 Cb 0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.92 3hcn h GLN 278 CO -0.29 1.05 -0.50 0.93 0.00 0.00 0.00 178.83 180.02 3hcn h GLU 279 N 0.79 0.89 -0.79 1.69 5.08 -0.91 -1.99 114.58 119.33 3hcn h GLU 279 Ca 0.10 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3hcn h GLU 279 Cb 0.79 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 3hcn h GLU 279 CO 0.07 1.17 0.47 0.28 -1.00 0.00 0.00 179.01 180.00 3hcn h VAL 280 N 0.69 1.22 -0.59 3.13 2.07 -0.84 -1.49 116.25 120.45 3hcn h VAL 280 Ca 0.03 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3hcn h VAL 280 Cb 1.10 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3hcn h VAL 280 CO 0.11 0.23 0.39 0.28 0.02 0.00 0.00 177.57 178.61 3hcn h SER 281 N 1.08 0.68 -0.45 0.57 0.02 -1.15 -1.46 113.55 112.84 3hcn h SER 281 Ca 0.28 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 3hcn h SER 281 Cb -0.03 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3hcn h SER 281 CO -0.05 0.50 -0.10 0.00 -1.14 0.00 0.00 176.83 176.03 3hcn h ALA 282 N 1.63 0.62 -0.43 3.77 0.00 -0.53 -1.99 119.26 122.32 3hcn h ALA 282 Ca 0.22 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hcn h ALA 282 Cb -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3hcn h ALA 282 CO -0.05 0.51 0.27 1.15 0.00 0.00 0.00 179.25 181.13 3hcn h THR 283 N 0.70 1.08 -0.54 0.00 2.02 -0.57 -1.76 112.91 113.84 3hcn h THR 283 Ca 0.11 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.15 3hcn h THR 283 Cb 0.64 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 3hcn h THR 283 CO 0.04 0.10 0.29 0.58 0.37 0.00 0.00 175.52 176.91 3hcn h VAL 284 N 0.55 0.98 -0.47 3.16 2.07 -1.11 -1.38 116.25 120.05 3hcn h VAL 284 Ca 0.16 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3hcn h VAL 284 Cb -0.03 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3hcn h VAL 284 CO -0.05 0.10 0.17 -0.61 0.02 0.00 0.00 177.57 177.20 3hcn h GLN 285 N 0.57 0.72 -0.63 1.57 5.75 -1.02 -1.32 115.11 120.76 3hcn h GLN 285 Ca 0.23 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 3hcn h GLN 285 Cb 0.11 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 3hcn h GLN 285 CO -0.15 0.67 0.21 0.87 -2.65 0.00 0.00 178.83 177.79 3hcn h LYS 286 N 0.63 0.94 -0.33 1.69 1.79 -0.99 -0.29 116.57 120.01 3hcn h LYS 286 Ca 0.16 -0.17 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 3hcn h LYS 286 Cb 0.23 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 3hcn h LYS 286 CO -0.01 0.80 -0.08 0.28 -1.08 0.00 0.00 179.45 179.36 3hcn h VAL 287 N 0.92 1.28 -0.09 0.50 2.07 -0.99 -1.85 116.25 118.09 3hcn h VAL 287 Ca 0.21 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 3hcn h VAL 287 Cb 0.24 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3hcn h VAL 287 CO -0.01 0.37 -0.32 0.24 0.02 0.00 0.00 177.57 177.87 3hcn h MET 288 N 0.42 0.16 -0.53 1.57 2.86 -0.94 -1.23 114.93 117.24 3hcn h MET 288 Ca 0.08 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3hcn h MET 288 Cb 0.57 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 3hcn h MET 288 CO 0.03 0.47 0.07 1.49 1.06 0.00 0.00 176.91 180.03 3hcn h GLU 289 N 0.14 0.88 -0.27 1.72 4.81 -0.91 -0.27 114.58 120.69 3hcn h GLU 289 Ca 0.02 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 3hcn h GLU 289 Cb 0.64 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3hcn h GLU 289 CO 0.05 0.87 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.86 3hcn h ARG 290 N 0.76 0.52 -0.02 1.92 9.65 -0.90 -2.18 114.38 124.14 3hcn h ARG 290 Ca 0.16 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3hcn h ARG 290 Cb 0.42 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 3hcn h ARG 290 CO 0.01 0.72 0.00 1.28 2.80 0.00 0.00 179.97 184.79 3hcn n LEU 291 N -4.12 0.36 -3.30 3.80 4.77 -0.50 -4.91 117.00 113.10 3hcn n LEU 291 Ca -0.00 -0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.61 3hcn n LEU 291 Cb 0.41 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3hcn n LEU 291 CO 0.42 0.07 0.04 -0.62 -1.33 0.00 0.00 177.39 175.97 3hcn n GLU 292 N -0.66 -5.04 -4.12 3.23 1.02 -0.66 -2.41 120.64 111.99 3hcn n GLU 292 Ca 0.20 0.75 -0.32 0.00 -0.02 0.00 0.00 57.16 57.77 3hcn n GLU 292 Cb 0.15 -5.61 -0.02 0.00 -0.02 0.00 0.00 31.44 25.94 3hcn n GLU 292 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hcn n TYR 293 N -4.47 -1.73 0.24 -0.32 4.01 -0.20 -4.84 117.16 109.85 3hcn n TYR 293 Ca -0.05 0.78 0.10 0.00 -0.16 0.00 0.00 57.90 58.57 3hcn n TYR 293 Cb 0.58 -3.26 0.62 0.00 -0.31 0.00 0.00 39.34 36.97 3hcn n TYR 293 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hcn s ASN 295 N -6.39 0.78 0.58 0.00 -0.87 -1.26 -4.94 114.94 102.83 3hcn s ASN 295 Ca -0.03 -0.94 -0.14 0.00 -1.57 0.00 0.00 52.86 50.18 3hcn s ASN 295 Cb 0.13 0.14 -0.05 0.00 -0.02 0.00 0.00 41.25 41.45 3hcn s ASN 295 CO 0.63 -0.49 1.02 -2.16 -2.57 0.00 0.00 177.10 173.52 3hcn s PRO 296 N -3.55 3.57 0.20 -0.60 0.04 -1.26 -4.88 135.00 128.53 3hcn s PRO 296 Ca 0.06 0.98 -0.10 0.00 0.04 0.00 0.00 61.00 61.98 3hcn s PRO 296 Cb 0.04 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3hcn s PRO 296 CO -0.06 -0.59 0.36 1.52 0.04 0.00 0.00 177.00 178.27 3hcn s TYR 297 N -2.75 0.41 -0.06 0.56 -0.85 -1.26 -1.17 117.35 112.24 3hcn s TYR 297 Ca 0.59 -0.76 -0.14 0.00 -0.52 0.00 0.00 57.07 56.24 3hcn s TYR 297 Cb -0.12 0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.27 3hcn s TYR 297 CO 0.40 -0.83 0.34 1.03 -1.52 0.00 0.00 175.55 174.97 3hcn s ARG 298 N -4.00 0.59 -0.28 -3.49 1.81 -0.96 -4.97 118.95 107.65 3hcn s ARG 298 Ca 0.21 0.08 -0.10 0.00 -1.72 0.00 0.00 55.73 54.19 3hcn s ARG 298 Cb 0.02 0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.75 3hcn s ARG 298 CO 0.04 -0.14 0.16 -1.17 -0.68 0.00 0.00 175.30 173.52 3hcn s LEU 299 N -0.76 3.96 0.38 2.53 2.96 -1.26 -1.36 118.68 125.12 3hcn s LEU 299 Ca -0.09 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3hcn s LEU 299 Cb -0.04 -2.06 -0.07 0.00 0.50 0.00 0.00 46.19 44.52 3hcn s LEU 299 CO 0.03 -0.09 0.03 0.68 -1.32 0.00 0.00 176.35 175.69 3hcn s VAL 300 N 1.70 1.55 -0.04 1.68 -7.23 0.57 -4.74 120.40 113.89 3hcn s VAL 300 Ca 0.06 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 3hcn s VAL 300 Cb -0.16 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.96 3hcn s VAL 300 CO 0.09 0.00 -0.14 0.26 -0.31 0.00 0.00 175.10 174.99 3hcn s TRP 301 N -2.98 1.47 0.14 2.82 0.52 0.03 -2.01 118.94 118.93 3hcn s TRP 301 Ca 0.33 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 56.01 3hcn s TRP 301 Cb 0.08 -1.02 0.00 0.00 -1.15 0.00 0.00 33.47 31.39 3hcn s TRP 301 CO 0.16 -0.17 0.03 0.00 0.02 0.00 0.00 176.95 176.98 3hcn n GLN 302 N 3.32 1.56 -0.54 4.98 10.64 -0.10 -0.68 117.38 136.57 3hcn n GLN 302 Ca -0.19 -0.95 -0.01 0.00 -1.83 0.00 0.00 57.00 54.01 3hcn n GLN 302 Cb 0.53 0.21 -0.00 0.00 -0.86 0.00 0.00 30.24 30.12 3hcn n GLN 302 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3hcn n SER 303 N -1.33 -2.69 -4.32 2.61 7.64 -1.26 -1.91 113.62 112.36 3hcn n SER 303 Ca -0.04 0.02 -0.37 0.00 1.01 0.00 0.00 58.87 59.49 3hcn n SER 303 Cb 0.17 -1.92 0.04 0.00 -1.01 0.00 0.00 64.21 61.49 3hcn n SER 303 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3hcn n LYS 304 N 0.23 0.18 -4.24 1.43 -0.00 -1.26 -4.94 118.16 109.57 3hcn n LYS 304 Ca -0.01 0.08 -0.17 0.00 -0.00 0.00 0.00 58.31 58.21 3hcn n LYS 304 Cb 0.23 -1.39 -0.14 0.00 -0.00 0.00 0.00 35.03 33.73 3hcn n LYS 304 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3hcn s VAL 305 N -1.93 0.58 0.00 0.58 -7.23 -1.26 -5.11 120.40 106.03 3hcn s VAL 305 Ca 0.59 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 3hcn s VAL 305 Cb -0.39 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.04 3hcn s VAL 305 CO 0.64 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 176.13 3hcn n GLY 306 N 2.71 -0.07 0.13 2.32 0.00 -1.26 -4.67 105.19 104.34 3hcn n GLY 306 Ca -0.14 -1.79 0.14 0.00 0.00 0.00 0.00 46.02 44.23 3hcn n GLY 306 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hcn n PRO 307 N 0.07 0.67 -1.50 1.61 -0.04 -1.26 -4.92 135.00 129.63 3hcn n PRO 307 Ca 0.00 -0.26 -0.31 0.00 -0.04 0.00 0.00 63.50 62.89 3hcn n PRO 307 Cb 0.00 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.04 3hcn n PRO 307 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hcn s MET 308 N -2.51 2.48 0.21 0.54 -1.94 -1.26 -4.99 119.30 111.83 3hcn s MET 308 Ca 0.27 0.88 -0.30 0.00 -1.71 0.00 0.00 55.69 54.83 3hcn s MET 308 Cb 0.20 -1.94 -0.09 0.00 2.01 0.00 0.00 34.83 35.00 3hcn s MET 308 CO 0.49 -1.40 1.36 -2.14 -0.01 0.00 0.00 175.02 173.32 3hcn s PRO 309 N -5.05 4.35 0.15 2.03 0.02 -1.26 -4.98 135.00 130.25 3hcn s PRO 309 Ca 0.60 2.14 0.05 0.00 0.02 0.00 0.00 61.00 63.80 3hcn s PRO 309 Cb -0.15 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 3hcn s PRO 309 CO 0.55 -0.32 -0.11 -1.58 -0.33 0.00 0.00 177.00 175.21 3hcn s TRP 310 N 0.14 1.35 0.16 6.54 0.52 -1.26 -1.18 118.94 125.21 3hcn s TRP 310 Ca 0.58 -0.69 -0.31 0.00 0.02 0.00 0.00 56.10 55.70 3hcn s TRP 310 Cb -0.38 -0.68 -0.10 0.00 -1.15 0.00 0.00 33.47 31.16 3hcn s TRP 310 CO 0.39 0.14 1.59 -1.17 0.02 0.00 0.00 176.95 177.92 3hcn s LEU 311 N -3.04 4.37 0.00 2.99 2.96 -0.22 -4.73 118.68 121.01 3hcn s LEU 311 Ca 0.16 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 56.69 3hcn s LEU 311 Cb 0.01 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.11 3hcn s LEU 311 CO 0.02 -0.84 0.01 0.61 -1.32 0.00 0.00 176.35 174.83 3hcn n GLY 312 N 3.80 3.89 3.75 7.98 0.00 -1.26 -4.68 105.19 118.67 3hcn n GLY 312 Ca 0.14 -2.25 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 3hcn n GLY 312 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hcn s PRO 313 N -2.52 2.65 0.29 1.61 0.04 -1.26 -4.81 135.00 131.00 3hcn s PRO 313 Ca 0.01 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.47 3hcn s PRO 313 Cb -0.00 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 3hcn s PRO 313 CO 0.01 -1.43 1.01 -1.14 0.04 0.00 0.00 177.00 175.48 3hcn s GLN 314 N -3.70 4.65 0.15 4.56 0.74 -1.26 -0.79 119.66 124.02 3hcn s GLN 314 Ca 0.74 1.57 -0.16 0.00 0.05 0.00 0.00 55.36 57.56 3hcn s GLN 314 Cb -0.28 -3.08 0.05 0.00 1.10 0.00 0.00 33.01 30.81 3hcn s GLN 314 CO 0.39 0.29 1.76 1.15 -0.55 0.00 0.00 175.29 178.33 3hcn h THR 315 N 2.92 0.92 0.28 -0.34 2.02 -1.23 -0.62 112.91 116.85 3hcn h THR 315 Ca -0.46 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3hcn h THR 315 Cb 1.20 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3hcn h THR 315 CO 0.66 0.06 -0.18 0.44 0.37 0.00 0.00 175.52 176.87 3hcn h ASP 316 N 0.30 -0.44 0.08 4.18 3.32 -1.93 -1.38 116.42 120.55 3hcn h ASP 316 Ca 0.16 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3hcn h ASP 316 Cb 0.12 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3hcn h ASP 316 CO -0.15 -0.28 -0.08 1.05 -1.72 0.00 0.00 179.24 178.06 3hcn h GLU 317 N -0.44 0.00 -0.17 3.56 4.11 -1.94 -2.06 114.58 117.63 3hcn h GLU 317 Ca -0.03 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.21 3hcn h GLU 317 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3hcn h GLU 317 CO 0.02 0.08 -0.68 0.77 0.07 0.00 0.00 179.01 179.27 3hcn h SER 318 N 0.00 0.81 -0.40 3.06 0.02 -0.72 -0.18 113.55 116.15 3hcn h SER 318 Ca -0.00 -0.50 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 3hcn h SER 318 Cb 0.14 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3hcn h SER 318 CO 0.01 1.27 0.03 0.40 -1.14 0.00 0.00 176.83 177.40 3hcn h ILE 319 N 0.50 1.25 -0.34 3.27 2.04 -0.75 0.46 117.51 123.95 3hcn h ILE 319 Ca -0.02 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 3hcn h ILE 319 Cb 1.29 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3hcn h ILE 319 CO 0.14 0.32 0.11 0.50 0.00 0.00 0.00 178.15 179.22 3hcn h LYS 320 N 0.53 0.53 -0.45 2.37 3.64 -1.36 -1.90 116.57 119.92 3hcn h LYS 320 Ca 0.12 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hcn h LYS 320 Cb 0.43 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3hcn h LYS 320 CO 0.01 0.55 0.23 0.78 -2.27 0.00 0.00 179.45 178.76 3hcn h GLY 321 N 0.40 0.69 0.99 5.01 0.00 -0.87 -0.65 103.07 108.64 3hcn h GLY 321 Ca 0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3hcn h GLY 321 CO -0.00 0.32 0.30 1.41 0.00 0.00 0.00 176.54 178.57 3hcn h LEU 322 N 0.59 0.60 -0.48 3.11 3.38 -0.81 -1.88 115.31 119.82 3hcn h LEU 322 Ca 0.16 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3hcn h LEU 322 Cb 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3hcn h LEU 322 CO -0.02 0.48 0.20 0.00 0.09 0.00 0.00 178.44 179.18 3hcn h GLU 324 N 0.63 0.00 -0.42 0.00 5.08 -0.84 -1.93 114.58 117.10 3hcn h GLU 324 Ca 0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3hcn h GLU 324 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3hcn h GLU 324 CO -0.01 0.00 0.02 0.54 -1.00 0.00 0.00 179.01 178.55 3hcn n ARG 325 N -2.80 3.71 -0.10 2.33 1.74 -0.64 -4.96 116.66 115.95 3hcn n ARG 325 Ca -0.01 -3.00 0.00 0.00 -0.77 0.00 0.00 57.85 54.06 3hcn n ARG 325 Cb 0.13 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 3hcn n ARG 325 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hcn n GLY 326 N -0.07 0.71 3.44 -0.13 0.00 -0.72 -5.03 105.19 103.38 3hcn n GLY 326 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 3hcn n GLY 326 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hcn s ARG 327 N -0.75 3.10 0.00 1.61 1.81 -0.22 -4.86 118.95 119.64 3hcn s ARG 327 Ca 0.00 -0.92 0.25 0.00 -1.72 0.00 0.00 55.73 53.34 3hcn s ARG 327 Cb 0.00 -4.23 0.48 0.00 -0.45 0.00 0.00 34.95 30.75 3hcn s ARG 327 CO 0.00 -1.74 1.39 1.63 -0.68 0.00 0.00 175.30 175.90 3hcn n LYS 328 N 7.39 1.17 -3.97 3.54 5.02 -1.26 -3.42 118.16 126.64 3hcn n LYS 328 Ca -0.05 -0.83 -0.29 0.00 -2.02 0.00 0.00 58.31 55.12 3hcn n LYS 328 Cb 0.45 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.81 3hcn n LYS 328 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hcn s ASN 329 N -2.40 2.73 -0.02 4.39 -0.87 -1.26 -0.82 114.94 116.69 3hcn s ASN 329 Ca 0.24 -0.55 0.03 0.00 -1.57 0.00 0.00 52.86 51.01 3hcn s ASN 329 Cb 0.19 -1.07 -0.00 0.00 -0.02 0.00 0.00 41.25 40.35 3hcn s ASN 329 CO 0.50 -0.11 -0.10 -0.63 -2.57 0.00 0.00 177.10 174.19 3hcn s ILE 330 N 1.55 0.86 -0.25 0.60 1.01 0.29 -1.47 121.20 123.79 3hcn s ILE 330 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3hcn s ILE 330 Cb -0.14 -0.74 0.04 0.00 0.01 0.00 0.00 42.46 41.63 3hcn s ILE 330 CO -0.09 0.26 -0.10 -0.22 0.00 0.00 0.00 174.94 174.79 3hcn s LEU 331 N -0.01 3.18 0.04 2.97 2.96 0.43 -1.43 118.68 126.82 3hcn s LEU 331 Ca 0.00 -1.07 -0.25 0.00 -0.22 0.00 0.00 54.13 52.60 3hcn s LEU 331 Cb -0.07 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 3hcn s LEU 331 CO 0.00 -0.14 0.75 -0.76 -1.32 0.00 0.00 176.35 174.88 3hcn s LEU 332 N 1.23 4.44 -0.18 -0.68 1.43 0.81 -0.04 118.68 125.69 3hcn s LEU 332 Ca -0.03 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.50 3hcn s LEU 332 Cb -0.18 -3.21 0.04 0.00 0.03 0.00 0.00 46.19 42.87 3hcn s LEU 332 CO -0.06 0.02 -0.12 -0.69 0.23 0.00 0.00 176.35 175.73 3hcn s VAL 333 N -0.04 1.65 -1.25 -1.59 1.01 -0.37 -0.96 120.40 118.85 3hcn s VAL 333 Ca 0.38 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 3hcn s VAL 333 Cb -0.20 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3hcn s VAL 333 CO 0.22 0.27 1.82 -2.16 0.00 0.00 0.00 175.10 175.26 3hcn s PRO 334 N 1.41 3.33 0.19 2.72 0.04 -1.26 -0.98 135.00 140.45 3hcn s PRO 334 Ca 0.01 -1.64 0.25 0.00 0.04 0.00 0.00 61.00 59.66 3hcn s PRO 334 Cb -0.15 -5.41 0.90 0.00 0.04 0.00 0.00 34.50 29.88 3hcn s PRO 334 CO -0.09 -3.02 1.75 1.51 0.04 0.00 0.00 177.00 177.19 3hcn n ILE 335 N 7.02 0.64 -0.55 0.56 0.13 -1.23 -4.01 119.36 121.92 3hcn n ILE 335 Ca 0.47 -0.05 0.01 0.00 -1.10 0.00 0.00 62.75 62.08 3hcn n ILE 335 Cb 0.46 -0.79 0.01 0.00 -0.84 0.00 0.00 39.64 38.48 3hcn n ILE 335 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hcn n ALA 336 N -1.74 1.72 -3.44 1.51 0.00 -1.26 -4.97 120.51 112.33 3hcn n ALA 336 Ca 0.04 -1.02 -0.09 0.00 0.00 0.00 0.00 53.44 52.37 3hcn n ALA 336 Cb 0.34 -0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 3hcn n ALA 336 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hcn s PHE 337 N -0.83 -0.78 -1.85 0.00 5.36 -1.26 -4.79 117.98 113.85 3hcn s PHE 337 Ca 0.03 0.98 0.25 0.00 -0.96 0.00 0.00 56.93 57.23 3hcn s PHE 337 Cb 0.03 0.07 1.42 0.00 -0.34 0.00 0.00 43.02 44.20 3hcn s PHE 337 CO 0.00 -0.64 1.84 0.25 -1.46 0.00 0.00 175.22 175.21 3hcn n THR 338 N 5.37 0.07 -4.40 0.12 -2.24 -1.26 -4.83 114.28 107.10 3hcn n THR 338 Ca -0.05 0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.50 3hcn n THR 338 Cb 0.50 -0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 68.01 3hcn n THR 338 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hcn s SER 339 N -2.15 3.90 0.40 3.42 0.01 -1.26 -2.94 113.70 115.08 3hcn s SER 339 Ca 0.34 -0.86 -0.27 0.00 1.31 0.00 0.00 55.95 56.46 3hcn s SER 339 Cb 0.17 -0.49 -0.10 0.00 0.21 0.00 0.00 66.02 65.81 3hcn s SER 339 CO 0.31 0.04 1.45 -1.81 0.41 0.00 0.00 173.24 173.65 3hcn s ASP 340 N -3.40 6.23 0.22 2.44 1.01 -1.26 -4.99 116.67 116.92 3hcn s ASP 340 Ca 0.29 2.98 0.01 0.00 0.71 0.00 0.00 52.55 56.54 3hcn s ASP 340 Cb -0.06 -2.66 -0.00 0.00 1.01 0.00 0.00 42.92 41.20 3hcn s ASP 340 CO 0.16 -0.94 0.27 0.00 0.21 0.00 0.00 175.17 174.86 3hcn n HIS 341 N 0.28 -0.89 -1.88 4.23 1.44 -1.26 -4.74 115.22 112.39 3hcn n HIS 341 Ca 0.02 -1.58 -0.42 0.00 -2.01 0.00 0.00 57.72 53.74 3hcn n HIS 341 Cb 0.40 0.30 -0.03 0.00 0.12 0.00 0.00 29.99 30.78 3hcn n HIS 341 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hcn s ILE 342 N -2.73 2.45 0.77 0.61 1.01 -1.26 -5.00 121.20 117.05 3hcn s ILE 342 Ca 0.21 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 61.10 3hcn s ILE 342 Cb -0.00 -3.21 0.17 0.00 0.01 0.00 0.00 42.46 39.43 3hcn s ILE 342 CO 0.15 0.03 1.05 -0.62 0.00 0.00 0.00 174.94 175.54 3hcn n GLU 343 N 3.66 -0.64 -2.33 2.79 1.02 -1.26 -5.00 120.64 118.87 3hcn n GLU 343 Ca 0.13 -2.09 -0.25 0.00 -0.02 0.00 0.00 57.16 54.93 3hcn n GLU 343 Cb 0.38 -0.93 0.05 0.00 -0.02 0.00 0.00 31.44 30.92 3hcn n GLU 343 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hcn s THR 344 N -3.19 2.66 0.21 2.62 -4.23 -1.26 -4.93 115.64 107.52 3hcn s THR 344 Ca 0.63 -0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.75 3hcn s THR 344 Cb -0.02 -3.10 0.17 0.00 1.34 0.00 0.00 72.50 70.88 3hcn s THR 344 CO 0.43 -0.10 1.69 0.25 -0.54 0.00 0.00 174.62 176.35 3hcn h LEU 345 N -0.38 -0.13 0.00 4.79 5.85 -1.98 -1.29 115.31 122.17 3hcn h LEU 345 Ca -0.44 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3hcn h LEU 345 Cb 1.30 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3hcn h LEU 345 CO 0.59 -0.05 0.00 -1.22 -0.34 0.00 0.00 178.44 177.42 3hcn n TYR 346 N -5.20 0.00 -0.04 1.25 4.02 -1.26 -0.79 117.16 115.14 3hcn n TYR 346 Ca 0.08 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.99 3hcn n TYR 346 Cb 0.32 -0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.51 3hcn n TYR 346 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3hcn n GLU 347 N -1.00 0.92 -0.02 -0.72 1.02 -0.52 -4.69 120.64 115.63 3hcn n GLU 347 Ca 0.18 -0.09 0.02 0.00 -0.02 0.00 0.00 57.16 57.25 3hcn n GLU 347 Cb 0.08 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 3hcn n GLU 347 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hcn n LEU 348 N -2.30 0.00 -4.55 -4.62 4.77 -1.00 -4.97 117.00 104.33 3hcn n LEU 348 Ca -0.13 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.45 3hcn n LEU 348 Cb 0.69 0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.76 3hcn n LEU 348 CO 0.34 0.08 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.81 3hcn s ASP 349 N -3.47 6.11 0.12 -1.43 -1.08 0.03 -4.96 116.67 111.99 3hcn s ASP 349 Ca -0.04 -0.25 -0.16 0.00 -0.52 0.00 0.00 52.55 51.58 3hcn s ASP 349 Cb 0.05 -2.16 -0.03 0.00 -1.46 0.00 0.00 42.92 39.32 3hcn s ASP 349 CO 0.40 -0.25 1.63 0.40 0.52 0.00 0.00 175.17 177.86 3hcn h ILE 350 N 5.49 1.22 0.04 4.11 1.08 -1.93 -1.33 117.51 126.18 3hcn h ILE 350 Ca -0.31 -0.73 0.02 0.00 -0.39 0.00 0.00 64.86 63.44 3hcn h ILE 350 Cb 1.16 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.89 3hcn h ILE 350 CO 0.65 0.25 -0.14 -0.33 -0.69 0.00 0.00 178.15 177.89 3hcn h GLU 351 N 0.44 -0.24 -0.47 2.37 4.39 -1.97 -0.02 114.58 119.07 3hcn h GLU 351 Ca 0.11 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 3hcn h GLU 351 Cb 0.28 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3hcn h GLU 351 CO -0.00 -0.16 0.24 1.88 -1.16 0.00 0.00 179.01 179.81 3hcn h TYR 352 N -0.25 0.66 -0.58 4.33 0.05 -1.90 -0.07 116.97 119.20 3hcn h TYR 352 Ca 0.04 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 3hcn h TYR 352 Cb 0.29 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3hcn h TYR 352 CO -0.18 0.52 0.27 0.66 -1.05 0.00 0.00 178.16 178.38 3hcn h SER 353 N 0.62 0.74 -0.21 3.88 4.64 -1.03 -0.06 113.55 122.13 3hcn h SER 353 Ca 0.16 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.24 3hcn h SER 353 Cb 0.09 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3hcn h SER 353 CO -0.02 0.64 -0.51 -0.61 -0.87 0.00 0.00 176.83 175.46 3hcn h GLN 354 N 0.82 0.71 -0.77 4.77 4.15 -0.66 -0.36 115.11 123.77 3hcn h GLN 354 Ca 0.20 -0.49 -0.03 0.00 0.77 0.00 0.00 58.65 59.11 3hcn h GLN 354 Cb 0.10 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 3hcn h GLN 354 CO -0.03 1.11 0.38 0.28 -1.93 0.00 0.00 178.83 178.64 3hcn h VAL 355 N 0.43 1.24 -0.27 2.39 2.07 -0.62 -1.09 116.25 120.41 3hcn h VAL 355 Ca -0.00 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3hcn h VAL 355 Cb 1.12 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3hcn h VAL 355 CO 0.11 0.29 -0.12 0.25 0.02 0.00 0.00 177.57 178.12 3hcn h LEU 356 N 1.09 0.57 -1.61 2.57 5.85 -0.96 -1.36 115.31 121.47 3hcn h LEU 356 Ca 0.27 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 3hcn h LEU 356 Cb 0.11 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3hcn h LEU 356 CO -0.03 0.85 -0.20 0.00 -0.34 0.00 0.00 178.44 178.72 3hcn h ALA 357 N 0.74 1.67 0.06 1.25 0.00 -0.77 -0.86 119.26 121.35 3hcn h ALA 357 Ca 0.06 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.50 3hcn h ALA 357 Cb 0.63 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3hcn h ALA 357 CO 0.04 0.25 -1.55 0.87 0.00 0.00 0.00 179.25 178.86 3hcn h LYS 358 N 0.00 0.12 0.17 0.00 1.57 -1.12 -1.86 116.57 115.44 3hcn h LYS 358 Ca -0.00 -0.20 -0.28 0.00 -1.87 0.00 0.00 60.65 58.30 3hcn h LYS 358 Cb 0.35 0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.75 3hcn h LYS 358 CO 0.03 0.88 -1.34 0.93 -0.57 0.00 0.00 179.45 179.38 3hcn h GLU 359 N 0.03 0.35 0.00 3.15 5.08 -1.11 -3.40 114.58 118.70 3hcn h GLU 359 Ca -0.23 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 3hcn h GLU 359 Cb 1.97 0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.45 3hcn h GLU 359 CO 0.12 1.29 -0.73 0.00 -1.00 0.00 0.00 179.01 178.69 3hcn n GLY 361 N 1.50 0.25 3.69 0.00 0.00 -0.70 -4.87 105.19 105.05 3hcn n GLY 361 Ca 0.00 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 3hcn n GLY 361 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hcn n VAL 362 N -3.33 2.52 -0.08 1.61 3.14 -1.25 -4.89 118.33 116.05 3hcn n VAL 362 Ca -0.03 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.71 3hcn n VAL 362 Cb 0.54 -1.50 -0.07 0.00 -1.06 0.00 0.00 33.84 31.75 3hcn n VAL 362 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hcn n GLU 363 N 0.08 0.38 -3.68 1.45 1.02 -0.00 -4.81 120.64 115.08 3hcn n GLU 363 Ca 0.07 0.12 -0.11 0.00 -0.02 0.00 0.00 57.16 57.22 3hcn n GLU 363 Cb 0.39 -1.22 -0.11 0.00 -0.02 0.00 0.00 31.44 30.48 3hcn n GLU 363 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hcn s ASN 364 N -5.97 -0.14 -0.19 1.62 -0.87 -0.39 -5.02 114.94 103.98 3hcn s ASN 364 Ca -0.22 0.79 0.00 0.00 -1.57 0.00 0.00 52.86 51.86 3hcn s ASN 364 Cb 0.07 0.89 0.04 0.00 -0.02 0.00 0.00 41.25 42.24 3hcn s ASN 364 CO 0.33 -0.22 -0.07 -0.63 -2.57 0.00 0.00 177.10 173.94 3hcn s ILE 365 N 2.09 1.38 0.28 0.60 1.01 -1.26 -0.54 121.20 124.76 3hcn s ILE 365 Ca -0.04 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.81 3hcn s ILE 365 Cb -0.11 -1.53 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 3hcn s ILE 365 CO -0.11 0.11 -0.04 -0.13 0.00 0.00 0.00 174.94 174.77 3hcn s ARG 366 N 1.50 1.54 -0.07 2.79 0.52 -0.51 -5.01 118.95 119.72 3hcn s ARG 366 Ca -0.01 -1.79 0.02 0.00 -0.52 0.00 0.00 55.73 53.44 3hcn s ARG 366 Cb -0.16 -1.09 0.01 0.00 0.52 0.00 0.00 34.95 34.23 3hcn s ARG 366 CO -0.08 0.01 -0.13 0.50 0.02 0.00 0.00 175.30 175.62 3hcn s ARG 367 N -3.75 1.80 0.48 3.54 3.52 -1.26 -0.13 118.95 123.14 3hcn s ARG 367 Ca 0.30 -0.46 -0.23 0.00 -0.13 0.00 0.00 55.73 55.21 3hcn s ARG 367 Cb 0.04 -1.47 -0.07 0.00 -1.56 0.00 0.00 34.95 31.89 3hcn s ARG 367 CO 0.12 0.05 1.28 0.00 -0.81 0.00 0.00 175.30 175.94 3hcn s ALA 368 N 0.60 3.00 0.54 6.12 0.00 -0.13 -4.94 121.76 126.94 3hcn s ALA 368 Ca -0.14 1.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.80 3hcn s ALA 368 Cb -0.16 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 3hcn s ALA 368 CO 0.04 -0.98 1.13 -1.83 0.00 0.00 0.00 175.76 174.12 3hcn s GLU 369 N -2.65 3.38 0.71 0.00 -1.05 -1.26 -4.69 118.70 113.13 3hcn s GLU 369 Ca 0.65 1.62 -0.14 0.00 -0.15 0.00 0.00 54.97 56.95 3hcn s GLU 369 Cb -0.36 -2.03 0.02 0.00 -0.44 0.00 0.00 34.13 31.33 3hcn s GLU 369 CO 0.44 -0.83 1.12 -1.12 0.95 0.00 0.00 175.26 175.82 3hcn s SER 370 N -1.75 4.75 0.58 0.83 0.01 -1.26 -4.89 113.70 111.97 3hcn s SER 370 Ca 0.72 2.01 0.28 0.00 1.31 0.00 0.00 55.95 60.27 3hcn s SER 370 Cb -0.24 -2.55 1.68 0.00 0.21 0.00 0.00 66.02 65.12 3hcn s SER 370 CO 0.27 -1.87 2.17 -0.07 0.41 0.00 0.00 173.24 174.15 3hcn h LEU 371 N -0.37 0.00 0.00 2.44 3.38 -1.88 -3.44 115.31 115.44 3hcn h LEU 371 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hcn h LEU 371 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hcn h LEU 371 CO 0.52 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.64 3hcn n ASN 372 N -3.93 0.00 -1.50 -0.43 3.02 -1.21 -0.97 115.26 110.25 3hcn n ASN 372 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3hcn n ASN 372 Cb 0.20 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.60 3hcn n ASN 372 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hcn n GLY 373 N 0.00 2.72 3.64 7.41 0.00 -1.26 -4.86 105.19 112.84 3hcn n GLY 373 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3hcn n GLY 373 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hcn s ASN 374 N -0.50 6.20 0.55 1.61 3.04 -0.14 -4.83 114.94 120.86 3hcn s ASN 374 Ca 0.36 2.37 0.25 0.00 0.04 0.00 0.00 52.86 55.88 3hcn s ASN 374 Cb 0.28 -2.53 1.47 0.00 -1.54 0.00 0.00 41.25 38.93 3hcn s ASN 374 CO 0.10 -1.30 2.04 1.55 -3.04 0.00 0.00 177.10 176.45 3hcn h PRO 375 N 11.71 0.00 0.00 0.43 0.13 -1.92 0.36 132.00 142.71 3hcn h PRO 375 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 3hcn h PRO 375 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3hcn h PRO 375 CO 0.95 0.00 -0.21 1.25 -0.23 0.00 0.00 178.00 179.76 3hcn h LEU 376 N 0.00 0.00 -0.12 1.56 5.85 -1.97 -1.33 115.31 119.30 3hcn h LEU 376 Ca 0.16 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.64 3hcn h LEU 376 Cb 0.72 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.76 3hcn h LEU 376 CO -0.00 0.21 -0.86 0.15 -0.34 0.00 0.00 178.44 177.60 3hcn h PHE 377 N 0.00 1.07 -0.49 1.25 -0.00 -0.63 -0.33 116.94 117.81 3hcn h PHE 377 Ca -0.00 -0.50 -0.05 0.00 -0.00 0.00 0.00 57.97 57.42 3hcn h PHE 377 Cb 0.64 -0.15 -0.02 0.00 -0.00 0.00 0.00 35.95 36.41 3hcn h PHE 377 CO 0.00 1.34 0.12 0.77 -0.00 0.00 0.00 178.31 180.54 3hcn h SER 378 N 0.50 0.69 -0.14 0.41 0.02 -1.23 -0.58 113.55 113.22 3hcn h SER 378 Ca -0.07 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.67 3hcn h SER 378 Cb 1.49 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.84 3hcn h SER 378 CO 0.17 0.69 -0.18 0.50 -1.14 0.00 0.00 176.83 176.87 3hcn h LYS 379 N 0.72 0.55 -0.44 3.45 3.64 -1.06 -1.29 116.57 122.14 3hcn h LYS 379 Ca 0.16 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3hcn h LYS 379 Cb 0.27 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3hcn h LYS 379 CO -0.00 0.70 0.05 0.00 -2.27 0.00 0.00 179.45 177.93 3hcn h ALA 380 N 1.31 0.59 -0.22 5.00 0.00 0.15 -1.02 119.26 125.07 3hcn h ALA 380 Ca 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hcn h ALA 380 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hcn h ALA 380 CO 0.04 0.34 0.09 -0.07 0.00 0.00 0.00 179.25 179.65 3hcn h LEU 381 N 0.60 0.30 -0.72 0.00 3.38 -0.81 -1.15 115.31 116.91 3hcn h LEU 381 Ca 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hcn h LEU 381 Cb 0.42 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3hcn h LEU 381 CO 0.01 0.38 0.32 0.00 0.09 0.00 0.00 178.44 179.24 3hcn h ALA 382 N 0.94 0.94 -0.57 1.53 0.00 -1.18 -2.02 119.26 118.90 3hcn h ALA 382 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hcn h ALA 382 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hcn h ALA 382 CO -0.01 0.53 0.37 0.22 0.00 0.00 0.00 179.25 180.36 3hcn h ASP 383 N 1.02 0.66 -0.21 0.00 3.58 -1.00 0.09 116.42 120.57 3hcn h ASP 383 Ca 0.25 -0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.67 3hcn h ASP 383 Cb 0.16 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3hcn h ASP 383 CO -0.03 0.49 0.12 -0.07 -2.88 0.00 0.00 179.24 176.88 3hcn h LEU 384 N 0.77 0.21 -0.46 2.28 3.38 -0.82 -0.61 115.31 120.06 3hcn h LEU 384 Ca 0.21 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3hcn h LEU 384 Cb -0.07 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3hcn h LEU 384 CO -0.04 0.15 0.10 0.58 0.09 0.00 0.00 178.44 179.32 3hcn h VAL 385 N 0.26 1.24 0.14 1.22 2.07 -1.15 -0.72 116.25 119.31 3hcn h VAL 385 Ca 0.08 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3hcn h VAL 385 Cb -0.01 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3hcn h VAL 385 CO -0.03 0.30 -0.12 -0.74 0.02 0.00 0.00 177.57 177.00 3hcn h HIS 386 N 0.62 -0.31 -0.96 1.57 -0.00 -0.80 -0.18 115.15 115.08 3hcn h HIS 386 Ca 0.14 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.54 3hcn h HIS 386 Cb 0.34 0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 27.82 3hcn h HIS 386 CO 0.02 -0.19 0.63 0.77 -0.00 0.00 0.00 177.93 179.17 3hcn h SER 387 N -0.28 1.07 -0.21 3.26 0.02 -1.03 -0.82 113.55 115.56 3hcn h SER 387 Ca -0.00 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3hcn h SER 387 Cb 0.26 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3hcn h SER 387 CO -0.02 0.75 0.09 -0.74 -1.14 0.00 0.00 176.83 175.78 3hcn h HIS 388 N 1.25 0.17 -0.18 3.45 6.17 -0.58 -0.95 115.15 124.49 3hcn h HIS 388 Ca 0.37 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.45 3hcn h HIS 388 Cb -0.06 -0.05 -0.01 0.00 2.52 0.00 0.00 27.41 29.82 3hcn h HIS 388 CO -0.00 0.10 0.09 0.82 0.71 0.00 0.00 177.93 179.65 3hcn h ILE 389 N 0.21 1.12 -0.78 6.26 2.04 -0.44 -2.54 117.51 123.39 3hcn h ILE 389 Ca 0.09 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.60 3hcn h ILE 389 Cb 0.03 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3hcn h ILE 389 CO -0.07 0.12 0.51 1.56 0.00 0.00 0.00 178.15 180.27 3hcn h GLN 390 N 0.17 1.02 0.00 2.37 4.20 -0.99 -2.38 115.11 119.50 3hcn h GLN 390 Ca 0.06 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hcn h GLN 390 Cb 0.11 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 3hcn h GLN 390 CO -0.01 0.67 -0.01 0.66 -0.67 0.00 0.00 178.83 179.48 3hcn h SER 391 N 1.05 0.00 0.00 1.46 4.64 -0.96 -3.47 113.55 116.27 3hcn h SER 391 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3hcn h SER 391 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3hcn h SER 391 CO -0.06 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.50 3hcn n ASN 392 N -3.10 -4.40 -4.76 4.97 5.03 -0.90 -4.97 115.26 107.13 3hcn n ASN 392 Ca 0.02 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.12 3hcn n ASN 392 Cb 0.38 -2.40 0.03 0.00 -1.02 0.00 0.00 39.78 36.76 3hcn n ASN 392 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3hcn s GLU 393 N -1.26 3.03 -0.04 3.52 2.02 -1.25 -4.96 118.70 119.76 3hcn s GLU 393 Ca 0.00 1.68 0.20 0.00 0.02 0.00 0.00 54.97 56.86 3hcn s GLU 393 Cb 0.00 -1.95 -0.24 0.00 0.10 0.00 0.00 34.13 32.04 3hcn s GLU 393 CO 0.00 -1.12 0.48 1.28 0.02 0.00 0.00 175.26 175.91 3hcn n LEU 394 N -1.68 0.26 -3.75 1.80 4.77 -1.26 -4.73 117.00 112.40 3hcn n LEU 394 Ca 0.12 0.11 0.01 0.00 -0.03 0.00 0.00 56.01 56.23 3hcn n LEU 394 Cb 0.50 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3hcn n LEU 394 CO 0.44 0.17 1.03 0.00 -1.33 0.00 0.00 177.39 177.71 3hcn s SER 396 N -3.25 5.46 0.33 0.00 1.04 -1.26 -4.93 113.70 111.09 3hcn s SER 396 Ca 0.19 1.63 0.02 0.00 0.48 0.00 0.00 55.95 58.27 3hcn s SER 396 Cb 0.02 -2.50 0.56 0.00 0.10 0.00 0.00 66.02 64.21 3hcn s SER 396 CO -0.02 -1.39 1.91 0.50 0.98 0.00 0.00 173.24 175.23 3hcn h LYS 397 N -0.57 0.73 -0.41 4.02 1.63 -2.01 -2.41 116.57 117.54 3hcn h LYS 397 Ca -0.44 -0.11 0.03 0.00 -0.85 0.00 0.00 60.65 59.28 3hcn h LYS 397 Cb 1.21 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 3hcn h LYS 397 CO 0.57 0.60 0.28 1.96 -3.45 0.00 0.00 179.45 179.41 3hcn h GLN 398 N 0.72 0.43 0.00 1.90 1.08 -1.95 -1.81 115.11 115.49 3hcn h GLN 398 Ca 0.17 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 3hcn h GLN 398 Cb 0.15 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3hcn h GLN 398 CO -0.02 0.29 -0.06 1.25 -0.95 0.00 0.00 178.83 179.34 3hcn h LEU 399 N 0.45 0.00 0.00 1.46 5.85 -1.80 -2.44 115.31 118.83 3hcn h LEU 399 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hcn h LEU 399 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3hcn h LEU 399 CO -0.04 0.06 0.00 0.35 -0.34 0.00 0.00 178.44 178.47 3hcn n THR 400 N -3.24 0.23 -4.10 1.05 -2.24 -0.68 -4.57 114.28 100.73 3hcn n THR 400 Ca -0.01 0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 3hcn n THR 400 Cb 0.28 -0.69 -0.16 0.00 -2.10 0.00 0.00 70.33 67.66 3hcn n THR 400 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hcn s LEU 401 N -2.45 2.63 0.73 3.22 2.96 -0.92 -5.12 118.68 119.74 3hcn s LEU 401 Ca 0.24 -0.94 -0.12 0.00 -0.22 0.00 0.00 54.13 53.10 3hcn s LEU 401 Cb 0.15 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.37 3hcn s LEU 401 CO 0.33 -0.07 1.11 -0.44 -1.32 0.00 0.00 176.35 175.95 3hcn s SER 402 N 1.22 5.19 0.47 3.68 0.01 -1.26 -4.99 113.70 118.02 3hcn s SER 402 Ca -0.00 1.08 -0.24 0.00 1.31 0.00 0.00 55.95 58.10 3hcn s SER 402 Cb -0.16 -1.82 -0.08 0.00 0.21 0.00 0.00 66.02 64.17 3hcn s SER 402 CO -0.10 -1.50 1.30 0.00 0.41 0.00 0.00 173.24 173.35 3hcn h PRO 404 N 1.85 0.00 -0.22 0.00 0.11 -1.84 -2.36 132.00 129.55 3hcn h PRO 404 Ca -0.49 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 3hcn h PRO 404 Cb 1.30 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.27 3hcn h PRO 404 CO 0.59 0.00 -0.60 1.28 -0.21 0.00 0.00 178.00 179.05 3hcn n LEU 405 N -4.33 3.31 -4.73 2.35 4.77 -0.76 -5.05 117.00 112.56 3hcn n LEU 405 Ca 0.06 -4.12 -0.42 0.00 -0.03 0.00 0.00 56.01 51.51 3hcn n LEU 405 Cb 0.48 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3hcn n LEU 405 CO 0.35 1.59 1.29 0.00 -1.33 0.00 0.00 177.39 179.30 3hcn n VAL 407 N 3.08 1.30 -3.54 0.00 0.24 -1.26 -4.96 118.33 113.19 3hcn n VAL 407 Ca 0.12 -1.49 -0.42 0.00 -2.04 0.00 0.00 64.34 60.51 3hcn n VAL 407 Cb 0.37 0.15 -0.09 0.00 -1.47 0.00 0.00 33.84 32.79 3hcn n VAL 407 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hcn s ASN 408 N -1.90 5.80 0.64 -1.34 3.84 -1.26 -4.97 114.94 115.76 3hcn s ASN 408 Ca 0.16 -1.39 0.37 0.00 0.21 0.00 0.00 52.86 52.21 3hcn s ASN 408 Cb 0.14 -2.05 2.05 0.00 -0.55 0.00 0.00 41.25 40.85 3hcn s ASN 408 CO 0.02 -0.55 2.22 1.55 -2.79 0.00 0.00 177.10 177.54 3hcn h PRO 409 N 8.52 0.00 0.00 0.43 0.13 -2.02 -2.55 132.00 136.50 3hcn h PRO 409 Ca -0.25 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.75 3hcn h PRO 409 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3hcn h PRO 409 CO 0.78 0.00 -0.62 0.28 -0.23 0.00 0.00 178.00 178.21 3hcn h VAL 410 N 0.00 1.44 -0.49 1.56 2.07 -2.00 -3.29 116.25 115.54 3hcn h VAL 410 Ca 0.02 -2.14 0.09 0.00 0.82 0.00 0.00 66.70 65.49 3hcn h VAL 410 Cb 0.23 2.16 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 3hcn h VAL 410 CO -0.00 0.61 0.07 0.00 0.02 0.00 0.00 177.57 178.27 3hcn h ARG 412 N 0.20 0.85 -0.50 0.00 2.43 -1.76 -1.43 114.38 114.18 3hcn h ARG 412 Ca 0.25 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3hcn h ARG 412 Cb 0.34 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3hcn h ARG 412 CO -0.35 0.72 -0.03 0.93 -1.51 0.00 0.00 179.97 179.73 3hcn h GLU 413 N 0.83 0.90 -0.62 0.20 4.39 -1.32 -1.88 114.58 117.09 3hcn h GLU 413 Ca 0.19 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 3hcn h GLU 413 Cb 0.21 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 3hcn h GLU 413 CO -0.01 0.95 0.16 1.15 -1.16 0.00 0.00 179.01 180.09 3hcn h THR 414 N 0.77 1.25 -0.02 1.13 2.02 -0.74 -0.43 112.91 116.88 3hcn h THR 414 Ca 0.14 -0.91 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3hcn h THR 414 Cb 0.56 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3hcn h THR 414 CO 0.03 0.34 -0.11 0.50 0.37 0.00 0.00 175.52 176.65 3hcn h LYS 415 N 0.90 -0.18 -0.48 6.66 3.11 -1.08 -2.07 116.57 123.43 3hcn h LYS 415 Ca 0.19 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 58.03 3hcn h LYS 415 Cb 0.34 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.59 3hcn h LYS 415 CO 0.00 -0.12 0.22 0.77 -2.81 0.00 0.00 179.45 177.51 3hcn h SER 416 N -0.18 0.61 -0.36 4.20 0.02 -1.12 -1.40 113.55 115.30 3hcn h SER 416 Ca 0.05 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3hcn h SER 416 Cb 0.25 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 3hcn h SER 416 CO -0.13 0.53 0.03 0.15 -1.14 0.00 0.00 176.83 176.27 3hcn h PHE 417 N 0.68 0.04 0.07 3.45 3.57 -0.39 -1.09 116.94 123.27 3hcn h PHE 417 Ca 0.17 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.49 3hcn h PHE 417 Cb 0.09 0.04 0.02 0.00 2.79 0.00 0.00 35.95 38.89 3hcn h PHE 417 CO 0.01 -0.03 -0.85 0.74 -2.23 0.00 0.00 178.31 175.95 3hcn h PHE 418 N 0.14 0.72 0.00 0.41 -1.00 -1.04 -3.23 116.94 112.94 3hcn h PHE 418 Ca 0.18 -0.44 -0.01 0.00 2.81 0.00 0.00 57.97 60.50 3hcn h PHE 418 Cb 0.23 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.72 3hcn h PHE 418 CO -0.22 1.29 -0.07 1.79 -1.61 0.00 0.00 178.31 179.49 3hcn h THR 419 N -0.04 0.22 -0.02 -1.55 1.35 -1.21 -2.87 112.91 108.79 3hcn h THR 419 Ca -0.12 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3hcn h THR 419 Cb 1.57 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3hcn h THR 419 CO 0.16 0.07 -0.08 -1.20 -0.25 0.00 0.00 175.52 174.22 3hcn n SER 420 N -3.26 2.14 -4.71 5.36 7.64 -0.42 -4.99 113.62 115.37 3hcn n SER 420 Ca -0.01 -1.65 -0.38 0.00 1.01 0.00 0.00 58.87 57.84 3hcn n SER 420 Cb 0.28 0.07 0.05 0.00 -1.01 0.00 0.00 64.21 63.59 3hcn n SER 420 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hcn n GLN 421 N 0.57 1.48 -1.94 1.43 1.13 -1.08 -4.92 117.38 114.04 3hcn n GLN 421 Ca 0.15 0.55 -0.41 0.00 -1.94 0.00 0.00 57.00 55.35 3hcn n GLN 421 Cb 0.47 -2.47 -0.02 0.00 0.11 0.00 0.00 30.24 28.33 3hcn n GLN 421 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3hcn s GLN 422 N -2.87 4.22 0.00 -1.09 0.74 -1.26 -5.04 119.66 114.36 3hcn s GLN 422 Ca 0.73 2.40 0.00 0.00 0.05 0.00 0.00 55.36 58.54 3hcn s GLN 422 Cb -0.42 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.63 3hcn s GLN 422 CO 0.48 -0.46 0.00 1.28 -0.55 0.00 0.00 175.29 176.04