#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hie n PHE 77 N 0.00 0.63 -0.10 1.20 7.35 -1.26 -1.42 117.46 123.86 3hie n PHE 77 Ca 0.00 1.18 -0.12 0.00 -0.76 0.00 0.00 57.45 57.74 3hie n PHE 77 Cb 0.00 -1.24 -0.04 0.00 0.35 0.00 0.00 39.48 38.55 3hie n PHE 77 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3hie h LEU 78 N 0.00 0.73 -0.88 -2.13 6.46 -2.05 -3.20 115.31 114.25 3hie h LEU 78 Ca 0.60 -0.44 0.14 0.00 -0.12 0.00 0.00 57.88 58.06 3hie h LEU 78 Cb 1.24 -0.20 -0.15 0.00 -0.73 0.00 0.00 40.66 40.82 3hie h LEU 78 CO -0.92 1.01 -0.33 0.00 -0.62 0.00 0.00 178.44 177.59 3hie n ALA 79 N -2.47 -0.06 0.10 1.25 0.00 -0.50 0.14 120.51 118.95 3hie n ALA 79 Ca -0.03 0.89 -0.05 0.00 0.00 0.00 0.00 53.44 54.25 3hie n ALA 79 Cb 0.43 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 3hie n ALA 79 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hie h GLU 80 N 0.00 -0.30 -1.02 0.00 4.81 -1.65 0.52 114.58 116.93 3hie h GLU 80 Ca 0.32 0.02 0.35 0.00 -0.13 0.00 0.00 59.36 59.93 3hie h GLU 80 Cb 0.54 0.07 -0.16 0.00 0.63 0.00 0.00 28.75 29.84 3hie h GLU 80 CO -0.88 -0.20 0.58 0.37 -0.73 0.00 0.00 179.01 178.15 3hie h GLN 81 N -0.32 0.22 0.08 1.92 4.15 -1.22 0.90 115.11 120.85 3hie h GLN 81 Ca -0.02 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3hie h GLN 81 Cb 0.27 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.91 3hie h GLN 81 CO -0.00 0.15 -0.04 -0.92 -1.93 0.00 0.00 178.83 176.08 3hie h TYR 82 N 0.23 -0.10 -0.42 3.99 5.03 0.30 0.55 116.97 126.54 3hie h TYR 82 Ca 0.77 -0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.98 3hie h TYR 82 Cb 1.87 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 40.17 3hie h TYR 82 CO -0.01 -0.03 -0.10 0.93 -1.32 0.00 0.00 178.16 177.63 3hie h GLU 83 N -0.15 0.82 -0.40 1.82 4.39 0.39 0.33 114.58 121.77 3hie h GLU 83 Ca -0.01 -0.31 0.08 0.00 0.34 0.00 0.00 59.36 59.46 3hie h GLU 83 Cb 0.12 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.63 3hie h GLU 83 CO 0.02 0.94 -0.20 -0.09 -1.16 0.00 0.00 179.01 178.51 3hie h ARG 84 N 0.64 -0.13 -0.31 2.33 2.43 1.00 0.17 114.38 120.51 3hie h ARG 84 Ca 0.11 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 3hie h ARG 84 Cb 0.64 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 3hie h ARG 84 CO 0.04 -0.08 0.01 -0.44 -1.51 0.00 0.00 179.97 177.99 3hie h ASP 85 N -0.13 -0.11 0.55 -3.80 3.32 0.56 -0.81 116.42 116.00 3hie h ASP 85 Ca 0.20 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 3hie h ASP 85 Cb 0.44 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3hie h ASP 85 CO -0.49 -0.02 -0.40 -0.09 -1.72 0.00 0.00 179.24 176.52 3hie h ARG 86 N 0.10 -0.89 -0.07 3.56 2.43 0.17 0.53 114.38 120.22 3hie h ARG 86 Ca 0.15 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 3hie h ARG 86 Cb 0.19 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 3hie h ARG 86 CO -0.24 -0.59 -0.26 0.87 -1.51 0.00 0.00 179.97 178.23 3hie h LYS 87 N -0.93 -0.35 -0.94 0.20 1.79 -0.74 0.46 116.57 116.05 3hie h LYS 87 Ca -0.06 0.02 0.20 0.00 -2.18 0.00 0.00 60.65 58.63 3hie h LYS 87 Cb 0.78 0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 31.40 3hie h LYS 87 CO 0.02 -0.24 0.52 0.00 -1.08 0.00 0.00 179.45 178.68 3hie h ALA 88 N 0.50 1.54 -0.11 3.86 0.00 -0.49 0.50 119.26 125.06 3hie h ALA 88 Ca 0.08 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3hie h ALA 88 Cb 0.49 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hie h ALA 88 CO -0.28 -0.16 -0.07 0.82 0.00 0.00 0.00 179.25 179.56 3hie h ILE 89 N 0.62 1.33 0.01 0.00 2.04 0.14 -2.91 117.51 118.74 3hie h ILE 89 Ca 0.56 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3hie h ILE 89 Cb 0.93 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3hie h ILE 89 CO -0.42 0.33 -0.00 0.40 0.00 0.00 0.00 178.15 178.45 3hie h ILE 90 N -0.12 1.27 -1.02 -0.67 2.04 0.04 -0.98 117.51 118.06 3hie h ILE 90 Ca 0.02 -0.84 0.25 0.00 1.00 0.00 0.00 64.86 65.30 3hie h ILE 90 Cb 0.55 1.84 -0.10 0.00 -0.74 0.00 0.00 36.82 38.37 3hie h ILE 90 CO 0.02 0.22 0.65 -1.13 0.00 0.00 0.00 178.15 177.91 3hie h ASN 91 N -0.37 0.50 0.00 1.72 -1.24 -0.10 0.03 115.58 116.13 3hie h ASN 91 Ca -0.00 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.09 3hie h ASN 91 Cb 0.36 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 3hie h ASN 91 CO 0.00 0.11 -0.02 0.00 -1.29 0.00 0.00 177.43 176.23 3hie n PHE 94 N 0.00 0.71 -3.15 0.00 3.01 -0.01 -4.78 117.46 113.23 3hie n PHE 94 Ca 0.00 -3.55 0.04 0.00 1.01 0.00 0.00 57.45 54.95 3hie n PHE 94 Cb 0.00 -0.41 -0.01 0.00 -0.01 0.00 0.00 39.48 39.06 3hie n PHE 94 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3hie s SER 95 N -2.69 -1.30 0.00 4.37 0.01 -1.24 -4.75 113.70 108.11 3hie s SER 95 Ca 0.37 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.24 3hie s SER 95 Cb 0.38 2.01 0.00 0.00 0.21 0.00 0.00 66.02 68.61 3hie s SER 95 CO -0.06 -0.24 0.00 0.54 0.41 0.00 0.00 173.24 173.89 3hie n ARG 96 N 5.42 0.00 0.00 12.44 1.74 -1.26 -4.96 116.66 130.04 3hie n ARG 96 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hie n ARG 96 Cb 0.52 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 3hie n ARG 96 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3hie n PRO 105 N -0.75 0.00 -1.58 5.56 -0.04 -1.26 -5.16 135.00 131.77 3hie n PRO 105 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 3hie n PRO 105 Cb 0.30 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 33.85 3hie n PRO 105 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hie s ASN 106 N 0.00 4.52 -0.38 3.54 -0.87 -1.26 -4.48 114.94 116.02 3hie s ASN 106 Ca 0.00 1.28 -0.19 0.00 -1.57 0.00 0.00 52.86 52.38 3hie s ASN 106 Cb 0.00 -2.01 0.01 0.00 -0.02 0.00 0.00 41.25 39.22 3hie s ASN 106 CO 0.00 -1.95 0.54 0.20 -2.57 0.00 0.00 177.10 173.32 3hie s ASN 107 N -3.94 6.31 0.21 -1.22 0.02 0.34 -4.78 114.94 111.89 3hie s ASN 107 Ca 0.61 -0.15 -0.32 0.00 -1.02 0.00 0.00 52.86 51.97 3hie s ASN 107 Cb -0.14 -2.28 -0.13 0.00 0.02 0.00 0.00 41.25 38.72 3hie s ASN 107 CO 0.54 -0.56 1.55 0.00 0.02 0.00 0.00 177.10 178.64 3hie n TYR 108 N 5.86 2.39 -0.09 2.20 9.36 -1.26 -1.25 117.16 134.37 3hie n TYR 108 Ca -0.04 0.29 -0.18 0.00 3.32 0.00 0.00 57.90 61.28 3hie n TYR 108 Cb 0.48 -2.54 -0.06 0.00 -0.63 0.00 0.00 39.34 36.59 3hie n TYR 108 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3hie n ILE 109 N 2.83 1.09 -3.61 2.97 5.41 0.27 -4.91 119.36 123.41 3hie n ILE 109 Ca 0.14 -0.19 -0.01 0.00 1.00 0.00 0.00 62.75 63.69 3hie n ILE 109 Cb 0.32 -1.81 -0.01 0.00 -0.71 0.00 0.00 39.64 37.43 3hie n ILE 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3hie s THR 110 N -2.38 0.00 0.28 1.39 -1.32 -0.98 -5.02 115.64 107.60 3hie s THR 110 Ca -0.25 -0.11 -0.04 0.00 -1.21 0.00 0.00 61.69 60.07 3hie s THR 110 Cb 0.09 -1.56 -0.01 0.00 -1.51 0.00 0.00 72.50 69.51 3hie s THR 110 CO 0.33 0.00 0.36 -1.38 -2.21 0.00 0.00 174.62 171.71 3hie s HIS 111 N -2.38 0.99 -0.14 9.09 -3.43 -1.26 -0.42 115.29 117.74 3hie s HIS 111 Ca 0.12 -1.21 -0.19 0.00 -0.80 0.00 0.00 55.06 52.98 3hie s HIS 111 Cb 0.02 -0.22 0.05 0.00 -1.43 0.00 0.00 32.58 31.01 3hie s HIS 111 CO -0.04 -0.93 0.51 0.54 -2.00 0.00 0.00 174.74 172.81 3hie s VAL 112 N -3.66 0.01 0.09 -5.38 0.11 -0.11 -4.99 120.40 106.47 3hie s VAL 112 Ca 0.32 -0.09 -0.24 0.00 -2.93 0.00 0.00 61.98 59.04 3hie s VAL 112 Cb 0.02 -0.75 -0.07 0.00 -1.53 0.00 0.00 36.38 34.06 3hie s VAL 112 CO 0.16 -0.05 0.72 -0.13 -3.33 0.00 0.00 175.10 172.47 3hie s ARG 113 N -0.25 4.46 0.16 1.54 0.52 -1.26 -0.85 118.95 123.27 3hie s ARG 113 Ca -0.04 1.02 0.06 0.00 -0.52 0.00 0.00 55.73 56.24 3hie s ARG 113 Cb -0.03 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3hie s ARG 113 CO 0.03 0.45 -0.13 0.96 0.02 0.00 0.00 175.30 176.63 3hie s ILE 114 N -0.61 1.41 -0.11 1.52 -4.36 -0.45 -4.10 121.20 114.49 3hie s ILE 114 Ca 0.35 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 3hie s ILE 114 Cb -0.21 -1.82 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 3hie s ILE 114 CO 0.23 -0.60 -0.11 -0.63 0.24 0.00 0.00 174.94 174.07 3hie s ILE 115 N -2.85 3.22 -0.15 8.37 1.01 0.23 -1.14 121.20 129.89 3hie s ILE 115 Ca 0.16 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.20 3hie s ILE 115 Cb -0.01 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3hie s ILE 115 CO 0.03 0.54 -0.15 -0.70 0.00 0.00 0.00 174.94 174.66 3hie s GLU 116 N 0.06 2.35 -0.15 2.79 2.12 -0.18 -2.07 118.70 123.62 3hie s GLU 116 Ca -0.04 -0.58 -0.23 0.00 0.36 0.00 0.00 54.97 54.48 3hie s GLU 116 Cb -0.14 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 3hie s GLU 116 CO 0.04 -0.22 0.72 0.34 -0.54 0.00 0.00 175.26 175.61 3hie s ASP 117 N 1.42 6.88 0.42 -1.70 3.68 -1.25 -0.56 116.67 125.56 3hie s ASP 117 Ca 0.04 1.07 0.23 0.00 2.13 0.00 0.00 52.55 56.01 3hie s ASP 117 Cb -0.13 -2.41 0.75 0.00 -1.45 0.00 0.00 42.92 39.68 3hie s ASP 117 CO -0.10 -0.27 1.75 0.77 0.13 0.00 0.00 175.17 177.45 3hie h SER 118 N 7.20 0.00 0.73 -0.34 4.64 -1.22 -2.69 113.55 121.88 3hie h SER 118 Ca -0.34 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.95 3hie h SER 118 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3hie h SER 118 CO 0.79 0.25 -1.30 0.29 -0.87 0.00 0.00 176.83 175.99 3hie n LYS 119 N -3.33 0.62 -3.25 4.77 5.02 -1.26 -4.47 118.16 116.26 3hie n LYS 119 Ca 0.01 0.08 -0.25 0.00 -2.02 0.00 0.00 58.31 56.13 3hie n LYS 119 Cb 0.49 -1.76 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 3hie n LYS 119 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hie n PHE 120 N -2.64 0.32 0.19 2.13 3.01 -1.12 -4.94 117.46 114.41 3hie n PHE 120 Ca -0.03 -3.66 0.11 0.00 1.01 0.00 0.00 57.45 54.88 3hie n PHE 120 Cb 0.62 -0.35 0.12 0.00 -0.01 0.00 0.00 39.48 39.86 3hie n PHE 120 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3hie h PRO 121 N 4.15 0.00 -0.06 -1.08 0.13 -1.70 -3.34 132.00 130.10 3hie h PRO 121 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hie h PRO 121 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3hie h PRO 121 CO 0.52 0.03 0.00 0.43 -0.23 0.00 0.00 178.00 178.75 3hie n SER 122 N -3.01 1.91 -3.83 1.44 7.64 -1.26 -0.26 113.62 116.24 3hie n SER 122 Ca 0.03 -1.48 -0.08 0.00 1.01 0.00 0.00 58.87 58.35 3hie n SER 122 Cb 0.55 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 3hie n SER 122 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hie s SER 123 N -0.78 -0.25 0.07 6.43 1.04 -1.25 -4.41 113.70 114.54 3hie s SER 123 Ca 0.12 -0.61 -0.31 0.00 0.48 0.00 0.00 55.95 55.63 3hie s SER 123 Cb 0.08 0.66 -0.10 0.00 0.10 0.00 0.00 66.02 66.76 3hie s SER 123 CO 0.11 -1.22 1.91 -1.14 0.98 0.00 0.00 173.24 173.88 3hie n ARG 124 N -0.41 2.79 -1.97 4.02 0.63 -1.26 -4.80 116.66 115.65 3hie n ARG 124 Ca -0.06 1.02 -0.36 0.00 -0.92 0.00 0.00 57.85 57.53 3hie n ARG 124 Cb 0.61 -2.94 0.04 0.00 0.45 0.00 0.00 32.46 30.62 3hie n ARG 124 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3hie s PRO 125 N 3.66 2.93 0.96 -0.14 0.02 -1.26 -5.01 135.00 136.15 3hie s PRO 125 Ca 0.86 1.87 -0.12 0.00 0.02 0.00 0.00 61.00 63.63 3hie s PRO 125 Cb -0.47 -1.93 0.16 0.00 0.02 0.00 0.00 34.50 32.28 3hie s PRO 125 CO 0.41 -1.25 1.10 -1.25 -0.33 0.00 0.00 177.00 175.67 3hie s PRO 126 N -3.32 0.76 0.31 5.54 0.04 -1.26 -4.95 135.00 132.12 3hie s PRO 126 Ca 0.78 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 3hie s PRO 126 Cb -0.32 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 3hie s PRO 126 CO 0.34 -2.51 1.52 -2.30 0.04 0.00 0.00 177.00 174.09 3hie n PRO 127 N -4.03 2.57 -3.88 0.56 -0.02 -1.26 -3.13 135.00 125.81 3hie n PRO 127 Ca 0.06 0.91 -0.25 0.00 -2.02 0.00 0.00 63.50 62.20 3hie n PRO 127 Cb 0.57 -2.65 -0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3hie n PRO 127 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hie n ASP 128 N 1.61 -0.90 -4.76 2.55 10.43 -1.26 -4.94 116.55 119.28 3hie n ASP 128 Ca 0.07 -0.94 -0.38 0.00 2.57 0.00 0.00 54.79 56.11 3hie n ASP 128 Cb 0.37 -3.40 0.02 0.00 1.84 0.00 0.00 41.12 39.95 3hie n ASP 128 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3hie s SER 129 N -4.28 5.65 0.46 -2.24 0.15 -1.18 -4.89 113.70 107.38 3hie s SER 129 Ca 0.06 2.69 -0.23 0.00 0.70 0.00 0.00 55.95 59.17 3hie s SER 129 Cb -0.03 -2.63 -0.09 0.00 -1.71 0.00 0.00 66.02 61.55 3hie s SER 129 CO 0.86 -1.30 1.09 0.29 1.20 0.00 0.00 173.24 175.38 3hie n LYS 130 N -0.66 1.44 0.28 5.44 5.02 -1.26 -4.85 118.16 123.58 3hie n LYS 130 Ca 0.08 0.52 0.18 0.00 -2.02 0.00 0.00 58.31 57.07 3hie n LYS 130 Cb 0.45 -2.18 0.74 0.00 -0.02 0.00 0.00 35.03 34.02 3hie n LYS 130 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3hie h LEU 131 N 1.50 0.00 -0.26 -0.35 3.38 -1.95 -1.36 115.31 116.27 3hie h LEU 131 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hie h LEU 131 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3hie h LEU 131 CO 0.57 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 177.26 3hie n GLU 132 N -3.09 0.08 0.00 1.13 0.28 -1.26 -1.61 120.64 116.18 3hie n GLU 132 Ca 0.00 0.29 0.12 0.00 -0.16 0.00 0.00 57.16 57.41 3hie n GLU 132 Cb 0.28 -1.65 0.14 0.00 1.43 0.00 0.00 31.44 31.64 3hie n GLU 132 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3hie n ASN 133 N -1.81 1.17 -4.49 -1.84 3.02 -0.51 -4.82 115.26 105.98 3hie n ASN 133 Ca 0.03 -0.94 -0.43 0.00 -0.03 0.00 0.00 54.58 53.21 3hie n ASN 133 Cb 0.22 0.44 -0.08 0.00 -0.61 0.00 0.00 39.78 39.75 3hie n ASN 133 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hie s LYS 134 N -2.71 3.17 -0.12 3.52 -0.14 -0.63 -0.58 119.74 122.25 3hie s LYS 134 Ca 0.16 -0.62 -0.06 0.00 -1.36 0.00 0.00 55.97 54.10 3hie s LYS 134 Cb 0.18 -3.97 -0.04 0.00 -1.68 0.00 0.00 37.83 32.32 3hie s LYS 134 CO 0.65 -0.95 0.11 0.15 -0.76 0.00 0.00 175.35 174.55 3hie s LYS 135 N 2.46 3.39 -0.15 1.68 -0.14 0.28 -4.92 119.74 122.34 3hie s LYS 135 Ca 0.17 -0.19 -0.19 0.00 -1.36 0.00 0.00 55.97 54.40 3hie s LYS 135 Cb -0.16 -3.13 -0.04 0.00 -1.68 0.00 0.00 37.83 32.83 3hie s LYS 135 CO 0.16 0.74 0.53 0.15 -0.76 0.00 0.00 175.35 176.17 3hie s LYS 136 N -0.93 4.28 0.19 1.68 1.02 -1.26 -1.01 119.74 123.71 3hie s LYS 136 Ca 0.14 0.50 0.03 0.00 0.02 0.00 0.00 55.97 56.66 3hie s LYS 136 Cb -0.12 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.68 3hie s LYS 136 CO 0.03 -0.02 0.11 0.54 -0.92 0.00 0.00 175.35 175.09 3hie n ARG 137 N 4.29 0.49 -4.01 1.68 5.12 -0.30 -4.67 116.66 119.26 3hie n ARG 137 Ca -0.05 -1.75 -0.11 0.00 -1.93 0.00 0.00 57.85 54.01 3hie n ARG 137 Cb 0.51 1.18 -0.12 0.00 -1.16 0.00 0.00 32.46 32.87 3hie n ARG 137 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hie s LEU 138 N 0.00 2.22 -0.14 0.55 1.02 0.70 -1.34 118.68 121.69 3hie s LEU 138 Ca 0.15 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 53.83 3hie s LEU 138 Cb 0.01 -0.03 -0.02 0.00 0.02 0.00 0.00 46.19 46.17 3hie s LEU 138 CO 0.11 -0.22 -0.09 -0.76 0.02 0.00 0.00 176.35 175.40 3hie s LEU 139 N -1.33 2.92 -0.04 1.79 1.02 -0.03 -1.56 118.68 121.45 3hie s LEU 139 Ca -0.12 -0.25 0.05 0.00 0.02 0.00 0.00 54.13 53.83 3hie s LEU 139 Cb -0.09 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.44 3hie s LEU 139 CO -0.00 0.17 -0.19 -0.63 0.02 0.00 0.00 176.35 175.71 3hie s ILE 140 N 0.36 1.59 -0.12 -0.59 1.01 0.76 -0.93 121.20 123.28 3hie s ILE 140 Ca -0.08 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3hie s ILE 140 Cb -0.15 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 3hie s ILE 140 CO 0.05 0.45 -0.15 -0.76 0.00 0.00 0.00 174.94 174.52 3hie s LEU 141 N -0.12 2.59 0.31 2.97 1.43 0.44 -0.53 118.68 125.76 3hie s LEU 141 Ca -0.01 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3hie s LEU 141 Cb -0.11 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3hie s LEU 141 CO 0.02 0.17 0.21 -0.94 0.23 0.00 0.00 176.35 176.04 3hie s SER 142 N 0.28 1.48 0.05 2.29 1.04 -1.01 -0.57 113.70 117.27 3hie s SER 142 Ca -0.11 -1.64 0.01 0.00 0.48 0.00 0.00 55.95 54.69 3hie s SER 142 Cb -0.16 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 3hie s SER 142 CO 0.06 -0.97 -0.06 0.00 0.98 0.00 0.00 173.24 173.25 3hie s ALA 143 N -3.59 0.56 0.55 5.32 0.00 -0.38 -0.52 121.76 123.70 3hie s ALA 143 Ca 0.38 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 3hie s ALA 143 Cb 0.04 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 3hie s ALA 143 CO 0.21 -0.13 1.32 0.21 0.00 0.00 0.00 175.76 177.37 3hie s LYS 144 N -2.26 3.12 0.30 0.00 2.47 -0.43 -0.50 119.74 122.43 3hie s LYS 144 Ca -0.05 2.13 -0.00 0.00 -1.56 0.00 0.00 55.97 56.49 3hie s LYS 144 Cb -0.05 -2.19 0.46 0.00 -1.46 0.00 0.00 37.83 34.59 3hie s LYS 144 CO -0.02 -1.17 1.86 -1.35 0.16 0.00 0.00 175.35 174.83 3hie h PRO 145 N 1.36 0.79 -0.01 4.03 0.11 -1.93 -2.69 132.00 133.67 3hie h PRO 145 Ca -0.51 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.46 3hie h PRO 145 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hie h PRO 145 CO 0.57 0.69 -0.42 0.09 -0.21 0.00 0.00 178.00 178.73 3hie n ASN 146 N -4.30 1.26 -3.46 -2.05 4.13 -1.26 -4.78 115.26 104.80 3hie n ASN 146 Ca 0.04 -1.01 -0.17 0.00 1.68 0.00 0.00 54.58 55.12 3hie n ASN 146 Cb 0.20 0.33 -0.12 0.00 -1.54 0.00 0.00 39.78 38.65 3hie n ASN 146 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3hie s ASN 147 N -2.60 1.27 0.00 6.41 3.04 -1.01 -5.00 114.94 117.05 3hie s ASN 147 Ca 0.20 -0.24 0.30 0.00 0.04 0.00 0.00 52.86 53.16 3hie s ASN 147 Cb 0.18 0.50 1.39 0.00 -1.54 0.00 0.00 41.25 41.79 3hie s ASN 147 CO 0.59 -0.33 1.97 0.00 -3.04 0.00 0.00 177.10 176.28 3hie n ALA 148 N 5.32 2.62 -1.01 1.71 0.00 -1.26 -2.88 120.51 125.01 3hie n ALA 148 Ca -0.05 -0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.20 3hie n ALA 148 Cb 0.49 -1.42 0.33 0.00 0.00 0.00 0.00 19.45 18.85 3hie n ALA 148 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hie n LYS 149 N -1.15 3.98 -3.65 0.00 5.02 -1.26 -4.67 118.16 116.42 3hie n LYS 149 Ca 0.14 -3.10 -0.27 0.00 -2.02 0.00 0.00 58.31 53.06 3hie n LYS 149 Cb 0.26 -2.17 -0.11 0.00 -0.02 0.00 0.00 35.03 32.99 3hie n LYS 149 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hie n LEU 150 N 0.03 1.96 -4.89 -0.35 4.77 -1.14 -4.74 117.00 112.65 3hie n LEU 150 Ca 0.33 -4.98 -0.33 0.00 -0.03 0.00 0.00 56.01 51.01 3hie n LEU 150 Cb 1.24 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.99 3hie n LEU 150 CO 0.35 1.85 0.02 -0.63 -1.33 0.00 0.00 177.39 177.65 3hie s ILE 151 N -1.17 5.18 0.12 -0.08 1.09 -1.26 -1.32 121.20 123.76 3hie s ILE 151 Ca 0.30 0.12 0.09 0.00 -1.10 0.00 0.00 60.65 60.06 3hie s ILE 151 Cb 0.02 -3.62 -0.04 0.00 -1.06 0.00 0.00 42.46 37.76 3hie s ILE 151 CO -0.15 0.14 -0.22 -1.10 -0.10 0.00 0.00 174.94 173.50 3hie s GLN 152 N -2.38 1.20 -0.20 2.79 -0.21 0.32 -1.55 119.66 119.64 3hie s GLN 152 Ca 0.37 -1.23 -0.08 0.00 0.02 0.00 0.00 55.36 54.44 3hie s GLN 152 Cb -0.13 -1.50 -0.04 0.00 1.00 0.00 0.00 33.01 32.35 3hie s GLN 152 CO 0.22 0.35 0.08 0.42 -2.12 0.00 0.00 175.29 174.23 3hie s ILE 153 N -1.24 4.81 -0.02 1.08 1.01 0.13 -2.40 121.20 124.58 3hie s ILE 153 Ca 0.09 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.79 3hie s ILE 153 Cb -0.10 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 3hie s ILE 153 CO 0.05 0.43 -0.24 -1.00 0.00 0.00 0.00 174.94 174.19 3hie s HIS 154 N 0.60 2.12 0.16 3.97 3.76 0.31 -0.01 115.29 126.19 3hie s HIS 154 Ca 0.04 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.51 3hie s HIS 154 Cb -0.13 -1.36 -0.05 0.00 1.11 0.00 0.00 32.58 32.14 3hie s HIS 154 CO 0.01 -0.04 0.39 0.21 -0.85 0.00 0.00 174.74 174.47 3hie s LYS 155 N -0.55 3.61 0.29 1.40 2.20 -0.78 -0.17 119.74 125.73 3hie s LYS 155 Ca 0.09 -0.11 -0.20 0.00 -0.36 0.00 0.00 55.97 55.39 3hie s LYS 155 Cb -0.09 -2.83 0.03 0.00 -1.51 0.00 0.00 37.83 33.43 3hie s LYS 155 CO -0.01 0.44 0.77 0.00 -0.36 0.00 0.00 175.35 176.19 3hie s ALA 156 N -1.71 -1.17 0.24 3.13 0.00 -0.60 -1.16 121.76 120.48 3hie s ALA 156 Ca 0.41 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.02 3hie s ALA 156 Cb -0.12 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3hie s ALA 156 CO 0.25 -1.03 0.17 -0.98 0.00 0.00 0.00 175.76 174.18 3hie s ARG 157 N -3.46 1.36 -0.39 0.00 1.70 -1.20 -0.21 118.95 116.74 3hie s ARG 157 Ca 0.12 -1.74 -0.14 0.00 -0.47 0.00 0.00 55.73 53.49 3hie s ARG 157 Cb -0.05 0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.62 3hie s ARG 157 CO 0.07 -0.46 0.29 -1.21 -1.08 0.00 0.00 175.30 172.91 3hie s GLU 158 N -3.95 3.07 0.00 3.89 2.02 -1.26 -2.76 118.70 119.71 3hie s GLU 158 Ca 0.39 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.44 3hie s GLU 158 Cb 0.06 -3.94 0.00 0.00 0.10 0.00 0.00 34.13 30.35 3hie s GLU 158 CO 0.17 -0.69 0.00 0.09 0.02 0.00 0.00 175.26 174.85 3hie n ASN 159 N 5.14 -0.20 -0.05 -0.19 5.03 0.14 -4.96 115.26 120.18 3hie n ASN 159 Ca -0.11 -0.01 -0.21 0.00 0.87 0.00 0.00 54.58 55.11 3hie n ASN 159 Cb 0.48 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.11 3hie n ASN 159 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3hie n SER 160 N -0.32 2.04 0.03 6.41 3.41 -1.26 -4.27 113.62 119.66 3hie n SER 160 Ca 0.00 0.18 -0.10 0.00 -0.26 0.00 0.00 58.87 58.69 3hie n SER 160 Cb 0.00 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 63.13 3hie n SER 160 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3hie h ASP 161 N -0.20 -0.55 0.00 4.04 2.03 -2.05 -3.43 116.42 116.25 3hie h ASP 161 Ca -0.47 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 3hie h ASP 161 Cb 1.85 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 40.60 3hie h ASP 161 CO -0.04 -0.24 0.00 0.61 -1.03 0.00 0.00 179.24 178.54 3hie n GLY 162 N -1.32 -0.60 3.78 7.15 0.00 -1.26 -5.13 105.19 107.81 3hie n GLY 162 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3hie n GLY 162 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hie s SER 163 N 0.00 6.45 -0.06 1.61 0.15 -1.26 -4.85 113.70 115.74 3hie s SER 163 Ca 0.00 2.18 0.03 0.00 0.70 0.00 0.00 55.95 58.87 3hie s SER 163 Cb 0.00 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 3hie s SER 163 CO 0.00 -0.71 -0.16 -0.36 1.20 0.00 0.00 173.24 173.21 3hie s PHE 164 N -1.60 2.68 -0.14 3.44 0.08 -1.26 0.26 117.98 121.45 3hie s PHE 164 Ca 0.61 -0.30 -0.03 0.00 0.12 0.00 0.00 56.93 57.33 3hie s PHE 164 Cb -0.26 -1.66 0.05 0.00 -0.57 0.00 0.00 43.02 40.59 3hie s PHE 164 CO 0.31 0.07 0.03 1.14 -0.10 0.00 0.00 175.22 176.68 3hie s GLN 165 N -0.49 0.53 0.06 0.44 -2.07 -1.11 -4.93 119.66 112.08 3hie s GLN 165 Ca 0.06 -0.14 -0.31 0.00 -1.82 0.00 0.00 55.36 53.16 3hie s GLN 165 Cb -0.12 -1.57 -0.06 0.00 -1.09 0.00 0.00 33.01 30.17 3hie s GLN 165 CO 0.02 -0.50 1.30 0.42 -1.32 0.00 0.00 175.29 175.20 3hie s ILE 166 N 1.95 3.75 0.00 3.63 1.01 -1.26 -3.28 121.20 127.01 3hie s ILE 166 Ca 0.02 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.90 3hie s ILE 166 Cb -0.15 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.53 3hie s ILE 166 CO -0.07 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.55 3hie n GLY 167 N 3.41 0.29 3.49 6.18 0.00 -0.31 -4.99 105.19 113.26 3hie n GLY 167 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3hie n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hie n ARG 168 N 0.00 0.75 -3.59 1.61 5.12 -1.26 -4.80 116.66 114.49 3hie n ARG 168 Ca 0.00 0.27 -0.21 0.00 -1.93 0.00 0.00 57.85 55.98 3hie n ARG 168 Cb 0.00 -1.56 -0.15 0.00 -1.16 0.00 0.00 32.46 29.59 3hie n ARG 168 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3hie s THR 169 N -1.28 -0.22 0.24 0.55 2.01 -1.26 -1.87 115.64 113.81 3hie s THR 169 Ca 0.62 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.70 3hie s THR 169 Cb -0.67 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 3hie s THR 169 CO 0.58 -0.11 0.29 0.26 -0.69 0.00 0.00 174.62 174.95 3hie s TRP 170 N 2.24 3.32 0.21 4.92 0.51 0.98 -4.95 118.94 126.18 3hie s TRP 170 Ca 0.04 -0.04 -0.16 0.00 -2.12 0.00 0.00 56.10 53.82 3hie s TRP 170 Cb -0.15 -1.51 -0.08 0.00 -0.81 0.00 0.00 33.47 30.92 3hie s TRP 170 CO -0.09 0.48 0.65 -0.65 -0.51 0.00 0.00 176.95 176.83 3hie s GLN 171 N -3.85 4.07 0.61 4.98 1.11 -1.26 0.21 119.66 125.53 3hie s GLN 171 Ca 0.33 0.65 0.37 0.00 0.01 0.00 0.00 55.36 56.72 3hie s GLN 171 Cb -0.09 -2.80 1.99 0.00 -1.01 0.00 0.00 33.01 31.10 3hie s GLN 171 CO 0.27 0.38 2.25 1.25 0.01 0.00 0.00 175.29 179.45 3hie h LEU 172 N 3.20 0.00 -0.32 2.90 5.85 -1.60 0.18 115.31 125.52 3hie h LEU 172 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3hie h LEU 172 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3hie h LEU 172 CO 0.66 0.02 0.00 0.35 -0.34 0.00 0.00 178.44 179.13 3hie n THR 173 N -3.39 1.10 1.21 1.05 -2.24 -1.26 -1.88 114.28 108.87 3hie n THR 173 Ca -0.02 0.32 0.13 0.00 -2.27 0.00 0.00 64.05 62.21 3hie n THR 173 Cb 0.13 -1.18 0.46 0.00 -2.10 0.00 0.00 70.33 67.64 3hie n THR 173 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hie n GLU 174 N -1.78 0.46 -2.58 -0.78 1.02 0.63 -4.84 120.64 112.78 3hie n GLU 174 Ca 0.02 -0.21 -0.42 0.00 -0.02 0.00 0.00 57.16 56.53 3hie n GLU 174 Cb 0.15 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 3hie n GLU 174 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3hie s LEU 175 N -2.68 4.30 0.00 -4.62 2.96 -0.79 -4.62 118.68 113.23 3hie s LEU 175 Ca 0.21 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 3hie s LEU 175 Cb 0.19 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.32 3hie s LEU 175 CO 0.55 -0.46 0.00 1.33 -1.32 0.00 0.00 176.35 176.45 3hie n VAL 176 N 4.37 0.00 -3.66 1.68 0.24 -0.25 -5.05 118.33 115.66 3hie n VAL 176 Ca 0.09 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 3hie n VAL 176 Cb 0.48 0.85 -0.08 0.00 -1.47 0.00 0.00 33.84 33.62 3hie n VAL 176 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hie s ARG 177 N -1.17 0.67 -0.12 7.34 3.52 -1.20 -4.99 118.95 123.01 3hie s ARG 177 Ca 0.00 0.98 0.01 0.00 -0.13 0.00 0.00 55.73 56.59 3hie s ARG 177 Cb 0.00 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.63 3hie s ARG 177 CO 0.00 -0.12 -0.13 0.08 -0.81 0.00 0.00 175.30 174.32 3hie s VAL 178 N 0.95 1.38 -0.06 7.11 1.01 -1.26 -1.28 120.40 128.25 3hie s VAL 178 Ca -0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3hie s VAL 178 Cb -0.05 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 35.06 3hie s VAL 178 CO -0.08 0.42 0.01 -0.70 0.00 0.00 0.00 175.10 174.75 3hie s GLU 179 N 1.25 0.47 0.28 2.72 2.12 -0.48 -5.00 118.70 120.07 3hie s GLU 179 Ca -0.02 0.14 -0.29 0.00 0.36 0.00 0.00 54.97 55.16 3hie s GLU 179 Cb -0.14 -0.84 -0.09 0.00 0.26 0.00 0.00 34.13 33.31 3hie s GLU 179 CO -0.05 -0.28 1.08 0.15 -0.54 0.00 0.00 175.26 175.62 3hie s LYS 180 N 1.87 4.65 -0.30 4.30 1.02 -1.26 -0.28 119.74 129.74 3hie s LYS 180 Ca 0.03 1.76 -0.29 0.00 0.02 0.00 0.00 55.97 57.49 3hie s LYS 180 Cb -0.12 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3hie s LYS 180 CO -0.04 0.24 1.24 0.34 -0.92 0.00 0.00 175.35 176.21 3hie s ASP 181 N -0.93 6.75 0.58 2.83 -1.08 -0.33 -4.90 116.67 119.59 3hie s ASP 181 Ca 0.44 1.18 0.36 0.00 -0.52 0.00 0.00 52.55 54.02 3hie s ASP 181 Cb -0.31 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.24 3hie s ASP 181 CO 0.40 -1.02 2.08 -0.07 0.52 0.00 0.00 175.17 177.08 3hie h LEU 182 N 10.62 0.00 0.00 -1.34 3.38 -1.94 -3.10 115.31 122.93 3hie h LEU 182 Ca -0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3hie h LEU 182 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3hie h LEU 182 CO 1.03 0.00 -2.03 -0.62 0.09 0.00 0.00 178.44 176.92 3hie n GLU 183 N -3.08 0.66 -4.04 1.13 1.02 -1.26 -4.88 120.64 110.19 3hie n GLU 183 Ca -0.00 -0.15 -0.30 0.00 -0.02 0.00 0.00 57.16 56.69 3hie n GLU 183 Cb 0.25 -1.54 -0.16 0.00 -0.02 0.00 0.00 31.44 29.97 3hie n GLU 183 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hie s ILE 184 N -3.31 1.55 -0.38 -3.67 -1.09 -1.17 -5.02 121.20 108.10 3hie s ILE 184 Ca -0.08 -0.62 0.26 0.00 -2.23 0.00 0.00 60.65 57.97 3hie s ILE 184 Cb 0.12 -1.46 0.28 0.00 -1.58 0.00 0.00 42.46 39.82 3hie s ILE 184 CO 0.89 0.46 1.77 0.28 -1.23 0.00 0.00 174.94 177.10 3hie h SER 185 N 8.02 0.00 0.00 3.58 0.02 -1.90 -2.27 113.55 120.99 3hie h SER 185 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3hie h SER 185 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3hie h SER 185 CO 0.52 0.00 -1.17 -0.62 -1.14 0.00 0.00 176.83 174.43 3hie n GLU 186 N -2.41 0.36 -3.36 3.45 4.71 -1.26 -4.31 120.64 117.81 3hie n GLU 186 Ca 0.02 -0.04 -0.34 0.00 -0.01 0.00 0.00 57.16 56.79 3hie n GLU 186 Cb 0.26 -1.47 -0.06 0.00 -1.01 0.00 0.00 31.44 29.17 3hie n GLU 186 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3hie s GLY 187 N -3.23 2.38 0.07 0.62 0.00 -0.86 -0.60 107.32 105.71 3hie s GLY 187 Ca 0.04 -0.17 -0.25 0.00 0.00 0.00 0.00 44.72 44.34 3hie s GLY 187 CO 0.84 0.05 0.60 -0.11 0.00 0.00 0.00 173.10 174.49 3hie s PHE 188 N -1.64 -0.55 -0.14 1.90 -0.12 -0.09 -1.19 117.98 116.15 3hie s PHE 188 Ca 0.43 0.60 0.02 0.00 -0.05 0.00 0.00 56.93 57.92 3hie s PHE 188 Cb -0.13 0.46 0.01 0.00 -0.63 0.00 0.00 43.02 42.74 3hie s PHE 188 CO 0.20 -0.73 -0.19 0.42 -0.05 0.00 0.00 175.22 174.86 3hie s ILE 189 N -2.70 1.88 -0.13 -4.49 1.09 0.61 -1.19 121.20 116.28 3hie s ILE 189 Ca -0.04 -0.86 -0.07 0.00 -1.10 0.00 0.00 60.65 58.58 3hie s ILE 189 Cb -0.01 -1.69 -0.04 0.00 -1.06 0.00 0.00 42.46 39.66 3hie s ILE 189 CO -0.04 0.51 0.12 -0.76 -0.10 0.00 0.00 174.94 174.68 3hie s LEU 190 N 1.02 4.23 0.04 2.97 1.02 -0.47 -1.38 118.68 126.11 3hie s LEU 190 Ca -0.03 0.38 0.08 0.00 0.02 0.00 0.00 54.13 54.57 3hie s LEU 190 Cb -0.15 -2.04 -0.03 0.00 0.02 0.00 0.00 46.19 44.00 3hie s LEU 190 CO -0.05 0.36 -0.22 -0.89 0.02 0.00 0.00 176.35 175.58 3hie s THR 191 N -0.75 2.49 0.08 5.49 2.01 -0.40 -0.71 115.64 123.85 3hie s THR 191 Ca 0.13 -1.27 0.30 0.00 0.31 0.00 0.00 61.69 61.16 3hie s THR 191 Cb -0.12 -2.02 0.31 0.00 0.01 0.00 0.00 72.50 70.68 3hie s THR 191 CO 0.03 0.35 1.93 0.77 -0.69 0.00 0.00 174.62 177.01 3hie h SER 193 N 4.67 0.00 -3.90 3.53 4.64 -2.03 -0.64 113.55 119.81 3hie h SER 193 Ca -0.47 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.57 3hie h SER 193 Cb 1.15 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 3hie h SER 193 CO 0.46 0.00 -0.16 2.29 -0.87 0.00 0.00 176.83 178.54 3hie n LYS 194 N -2.58 0.63 -3.47 4.77 2.85 -1.26 -5.16 118.16 113.93 3hie n LYS 194 Ca -0.01 -2.65 -0.37 0.00 -1.05 0.00 0.00 58.31 54.22 3hie n LYS 194 Cb 0.08 2.51 -0.06 0.00 -0.65 0.00 0.00 35.03 36.91 3hie n LYS 194 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3hie s LYS 195 N -2.79 4.15 -0.16 -1.58 1.02 -1.26 -4.96 119.74 114.16 3hie s LYS 195 Ca 0.28 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.56 3hie s LYS 195 Cb -0.01 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 3hie s LYS 195 CO 0.20 0.37 -0.15 0.71 -0.92 0.00 0.00 175.35 175.56 3hie s TYR 196 N 0.01 2.33 -0.21 3.18 2.02 0.11 -4.26 117.35 120.53 3hie s TYR 196 Ca 0.21 -1.36 -0.14 0.00 -0.37 0.00 0.00 57.07 55.41 3hie s TYR 196 Cb -0.15 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3hie s TYR 196 CO 0.08 -0.71 0.33 -0.47 -1.57 0.00 0.00 175.55 173.22 3hie s TYR 197 N 1.43 3.36 0.18 2.71 5.04 0.64 -1.37 117.35 129.35 3hie s TYR 197 Ca 0.04 0.51 0.05 0.00 -2.44 0.00 0.00 57.07 55.23 3hie s TYR 197 Cb -0.13 -2.45 -0.05 0.00 0.35 0.00 0.00 41.96 39.68 3hie s TYR 197 CO -0.11 0.03 -0.09 -1.58 -1.34 0.00 0.00 175.55 172.46 3hie s TRP 198 N 1.19 1.44 0.02 4.97 0.51 -0.33 -4.71 118.94 122.02 3hie s TRP 198 Ca 0.16 -0.75 0.09 0.00 -2.12 0.00 0.00 56.10 53.48 3hie s TRP 198 Cb -0.14 -0.74 -0.03 0.00 -0.81 0.00 0.00 33.47 31.75 3hie s TRP 198 CO 0.07 0.12 -0.26 -1.21 -0.51 0.00 0.00 176.95 175.16 3hie s GLU 199 N -3.75 1.93 0.87 4.98 2.02 -0.88 -0.91 118.70 122.96 3hie s GLU 199 Ca 0.21 -1.03 -0.09 0.00 0.02 0.00 0.00 54.97 54.07 3hie s GLU 199 Cb 0.03 -2.00 0.18 0.00 0.10 0.00 0.00 34.13 32.44 3hie s GLU 199 CO 0.04 0.53 1.19 0.95 0.02 0.00 0.00 175.26 177.99 3hie s THR 200 N -0.72 2.02 -0.40 3.63 -4.23 0.23 0.75 115.64 116.92 3hie s THR 200 Ca 0.11 -0.29 0.23 0.00 -1.18 0.00 0.00 61.69 60.56 3hie s THR 200 Cb -0.10 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 71.29 3hie s THR 200 CO 0.01 0.00 1.52 0.78 -0.54 0.00 0.00 174.62 176.39 3hie h ASN 201 N -1.20 0.00 -5.20 3.99 4.21 -1.89 -3.44 115.58 112.04 3hie h ASN 201 Ca -0.40 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.02 3hie h ASN 201 Cb 1.24 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.31 3hie h ASN 201 CO 0.36 0.02 -0.29 -0.94 -1.29 0.00 0.00 177.43 175.28 3hie s SER 202 N -6.10 0.02 0.29 5.81 1.04 -1.26 -5.05 113.70 108.45 3hie s SER 202 Ca 0.06 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.80 3hie s SER 202 Cb 0.06 0.42 0.44 0.00 0.10 0.00 0.00 66.02 67.04 3hie s SER 202 CO 0.69 -0.85 1.72 0.00 0.98 0.00 0.00 173.24 175.78 3hie h ALA 203 N 2.57 1.12 -0.68 5.32 0.00 -1.91 -2.68 119.26 122.99 3hie h ALA 203 Ca -0.32 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 3hie h ALA 203 Cb 1.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3hie h ALA 203 CO 0.50 0.56 0.22 -0.22 0.00 0.00 0.00 179.25 180.31 3hie h LYS 204 N 0.33 1.05 -0.36 0.00 3.64 -1.97 -2.52 116.57 116.75 3hie h LYS 204 Ca 0.04 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 3hie h LYS 204 Cb 0.72 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3hie h LYS 204 CO 0.05 0.90 -0.09 0.93 -2.27 0.00 0.00 179.45 178.97 3hie h GLU 205 N 0.99 0.61 0.13 1.90 5.08 -1.90 -1.17 114.58 120.22 3hie h GLU 205 Ca 0.22 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3hie h GLU 205 Cb 0.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hie h GLU 205 CO -0.01 0.70 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.55 3hie h ARG 206 N 0.56 -0.17 -0.26 2.33 2.43 -1.33 -1.45 114.38 116.50 3hie h ARG 206 Ca 0.10 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3hie h ARG 206 Cb 0.50 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 3hie h ARG 206 CO 0.03 -0.07 -0.17 1.15 -1.51 0.00 0.00 179.97 179.40 3hie h THR 207 N -0.23 0.51 -0.25 0.20 2.02 -1.11 -0.93 112.91 113.12 3hie h THR 207 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3hie h THR 207 Cb 0.18 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3hie h THR 207 CO 0.03 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.62 3hie h VAL 208 N -0.16 1.14 -0.67 3.16 2.07 -1.19 -2.55 116.25 118.06 3hie h VAL 208 Ca 0.14 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3hie h VAL 208 Cb 0.37 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3hie h VAL 208 CO -0.35 0.14 0.15 0.15 0.02 0.00 0.00 177.57 177.68 3hie h PHE 209 N 0.27 1.12 -0.27 1.57 3.04 -0.89 -1.99 116.94 119.79 3hie h PHE 209 Ca 0.09 -0.13 -0.10 0.00 3.98 0.00 0.00 57.97 61.80 3hie h PHE 209 Cb 0.12 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 3hie h PHE 209 CO -0.02 0.92 -0.27 0.82 -2.02 0.00 0.00 178.31 177.74 3hie h ILE 210 N 1.01 1.27 0.12 1.41 2.04 -1.08 0.08 117.51 122.36 3hie h ILE 210 Ca 0.21 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 3hie h ILE 210 Cb 0.37 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3hie h ILE 210 CO 0.00 0.42 -0.06 0.11 0.00 0.00 0.00 178.15 178.63 3hie h LYS 211 N 0.46 -0.15 -0.32 2.37 1.57 -1.14 -0.86 116.57 118.50 3hie h LYS 211 Ca 0.06 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3hie h LYS 211 Cb 0.71 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 3hie h LYS 211 CO 0.05 -0.06 -0.25 0.77 -0.57 0.00 0.00 179.45 179.40 3hie h SER 212 N -0.20 -0.82 -0.14 0.86 0.02 -1.02 -0.75 113.55 111.49 3hie h SER 212 Ca -0.02 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3hie h SER 212 Cb 0.16 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3hie h SER 212 CO 0.03 -0.28 0.08 0.25 -1.14 0.00 0.00 176.83 175.77 3hie h LEU 213 N -0.22 0.13 -0.10 5.07 5.85 -0.74 -1.25 115.31 124.05 3hie h LEU 213 Ca 0.16 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.64 3hie h LEU 213 Cb 0.47 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.49 3hie h LEU 213 CO -0.45 0.10 -0.99 0.40 -0.34 0.00 0.00 178.44 177.16 3hie h ILE 214 N 0.17 1.36 -0.48 4.05 2.04 -1.02 -1.78 117.51 121.85 3hie h ILE 214 Ca 0.06 -2.39 -0.10 0.00 1.00 0.00 0.00 64.86 63.42 3hie h ILE 214 Cb -0.00 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 3hie h ILE 214 CO -0.03 0.72 -0.09 0.71 0.00 0.00 0.00 178.15 179.46 3hie h THR 215 N 0.28 1.27 -0.27 -0.27 1.35 -1.09 -1.96 112.91 112.21 3hie h THR 215 Ca -0.10 -1.21 0.02 0.00 -0.55 0.00 0.00 66.41 64.56 3hie h THR 215 Cb 1.64 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 69.10 3hie h THR 215 CO 0.18 0.42 0.14 -0.07 -0.25 0.00 0.00 175.52 175.94 3hie h LEU 216 N 0.77 0.21 -0.18 3.87 3.38 -1.24 -1.27 115.31 120.84 3hie h LEU 216 Ca 0.13 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3hie h LEU 216 Cb 0.64 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3hie h LEU 216 CO 0.04 0.16 -0.18 0.22 0.09 0.00 0.00 178.44 178.77 3hie h TYR 217 N 0.29 -0.45 0.00 1.13 5.03 -1.18 -0.54 116.97 121.26 3hie h TYR 217 Ca 0.11 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 3hie h TYR 217 Cb 0.03 0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.54 3hie h TYR 217 CO -0.09 -0.25 -0.04 0.82 -1.32 0.00 0.00 178.16 177.28 3hie h ILE 218 N -0.20 0.79 0.00 1.81 2.04 -1.13 -2.13 117.51 118.69 3hie h ILE 218 Ca 0.12 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3hie h ILE 218 Cb 0.37 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3hie h ILE 218 CO -0.30 0.04 -0.40 1.56 0.00 0.00 0.00 178.15 179.05 3hie h GLN 219 N 0.00 0.00 0.00 2.37 4.20 0.07 -3.25 115.11 118.50 3hie h GLN 219 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hie h GLN 219 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3hie h GLN 219 CO 0.01 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.42 3hie n THR 220 N -2.32 1.20 -2.76 -0.54 -2.24 -0.48 -4.63 114.28 102.51 3hie n THR 220 Ca 0.04 0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 61.77 3hie n THR 220 Cb 0.46 -1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 67.45 3hie n THR 220 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hie s PHE 221 N -3.08 3.72 -0.23 4.78 0.40 -1.23 -4.92 117.98 117.42 3hie s PHE 221 Ca 0.05 1.80 0.01 0.00 -0.60 0.00 0.00 56.93 58.19 3hie s PHE 221 Cb 0.07 -2.95 -0.19 0.00 0.51 0.00 0.00 43.02 40.46 3hie s PHE 221 CO 0.22 0.20 -0.11 0.39 0.70 0.00 0.00 175.22 176.63 3hie n GLU 222 N 0.71 0.67 0.00 0.44 1.02 -1.26 -4.91 120.64 117.30 3hie n GLU 222 Ca 0.01 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3hie n GLU 222 Cb 0.49 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3hie n GLU 222 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hie n GLY 223 N 2.19 -0.65 3.91 0.62 0.00 -1.26 -5.05 105.19 104.95 3hie n GLY 223 Ca -0.43 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 3hie n GLY 223 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hie s HIS 224 N 0.00 2.95 0.05 1.61 3.76 -1.26 -5.01 115.29 117.38 3hie s HIS 224 Ca 0.00 0.66 -0.30 0.00 -0.15 0.00 0.00 55.06 55.27 3hie s HIS 224 Cb 0.00 -3.40 -0.05 0.00 1.11 0.00 0.00 32.58 30.25 3hie s HIS 224 CO 0.00 -1.65 1.06 0.08 -0.85 0.00 0.00 174.74 173.37 3hie s VAL 225 N -3.47 4.47 0.51 -0.90 1.01 -1.26 -4.98 120.40 115.78 3hie s VAL 225 Ca 0.61 1.83 -0.21 0.00 0.00 0.00 0.00 61.98 64.22 3hie s VAL 225 Cb -0.11 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 3hie s VAL 225 CO 0.48 0.18 0.92 -2.65 0.00 0.00 0.00 175.10 174.02 3hie n PRO 226 N 3.63 1.05 0.04 2.72 -0.02 -1.26 -4.84 135.00 136.32 3hie n PRO 226 Ca 0.06 0.39 0.07 0.00 -2.02 0.00 0.00 63.50 62.00 3hie n PRO 226 Cb 0.49 -2.04 0.30 0.00 -0.02 0.00 0.00 33.50 32.23 3hie n PRO 226 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3hie n GLU 227 N -0.34 0.06 0.04 -0.52 2.13 -1.26 -3.21 120.64 117.53 3hie n GLU 227 Ca 0.11 0.39 -0.11 0.00 0.66 0.00 0.00 57.16 58.21 3hie n GLU 227 Cb 0.44 -1.63 0.02 0.00 0.27 0.00 0.00 31.44 30.54 3hie n GLU 227 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3hie h LEU 228 N 0.00 0.56 -9.80 4.31 3.38 -2.03 -3.44 115.31 108.28 3hie h LEU 228 Ca 0.00 -0.36 -0.55 0.00 0.09 0.00 0.00 57.88 57.06 3hie h LEU 228 Cb 0.19 -0.16 0.10 0.00 0.09 0.00 0.00 40.66 40.88 3hie h LEU 228 CO 0.00 1.10 0.68 1.33 0.09 0.00 0.00 178.44 181.64 3hie n VAL 229 N -3.87 1.69 -4.12 1.22 0.24 -1.20 -4.97 118.33 107.32 3hie n VAL 229 Ca -0.05 -0.42 -0.10 0.00 -2.04 0.00 0.00 64.34 61.74 3hie n VAL 229 Cb 0.70 -1.78 -0.10 0.00 -1.47 0.00 0.00 33.84 31.20 3hie n VAL 229 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hie s ASN 230 N -0.02 0.27 0.17 -1.34 2.47 -1.26 -5.06 114.94 110.17 3hie s ASN 230 Ca 0.58 -1.16 -0.23 0.00 0.42 0.00 0.00 52.86 52.46 3hie s ASN 230 Cb -0.53 0.32 0.07 0.00 -1.45 0.00 0.00 41.25 39.66 3hie s ASN 230 CO 0.59 -0.75 1.01 -1.66 -3.72 0.00 0.00 177.10 172.57 3hie s TRP 231 N -4.04 -0.01 -0.32 0.43 -2.14 -1.26 -5.04 118.94 106.56 3hie s TRP 231 Ca 0.23 -0.36 0.10 0.00 2.66 0.00 0.00 56.10 58.73 3hie s TRP 231 Cb 0.07 0.68 0.63 0.00 -3.10 0.00 0.00 33.47 31.75 3hie s TRP 231 CO 0.02 -0.88 1.68 -0.40 -2.66 0.00 0.00 176.95 174.70 3hie n ASP 232 N -0.91 3.84 -4.74 -2.66 5.75 -1.26 -5.02 116.55 111.55 3hie n ASP 232 Ca -0.05 -3.42 -0.41 0.00 -0.01 0.00 0.00 54.79 50.91 3hie n ASP 232 Cb 0.60 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 3hie n ASP 232 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3hie s LEU 233 N -3.10 4.45 0.00 -2.12 0.20 -1.26 -4.92 118.68 111.93 3hie s LEU 233 Ca 0.51 2.26 0.00 0.00 0.69 0.00 0.00 54.13 57.58 3hie s LEU 233 Cb 0.42 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.57 3hie s LEU 233 CO 0.09 -0.37 0.00 -1.54 -0.29 0.00 0.00 176.35 174.23 3hie n SER 234 N 2.41 4.41 -3.92 3.68 3.41 -1.26 -5.07 113.62 117.28 3hie n SER 234 Ca 0.04 -0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 3hie n SER 234 Cb 0.44 0.95 -0.13 0.00 -0.26 0.00 0.00 64.21 65.21 3hie n SER 234 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hie s LEU 235 N -2.78 2.07 -0.21 1.04 2.96 -1.26 -5.15 118.68 115.36 3hie s LEU 235 Ca 0.00 -0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 53.61 3hie s LEU 235 Cb 0.00 -0.03 0.06 0.00 0.50 0.00 0.00 46.19 46.73 3hie s LEU 235 CO 0.00 -0.07 0.53 0.12 -1.32 0.00 0.00 176.35 175.61 3hie s PHE 236 N -0.44 -0.74 0.06 5.38 2.19 -1.26 -5.17 117.98 117.99 3hie s PHE 236 Ca -0.04 1.59 -0.26 0.00 0.33 0.00 0.00 56.93 58.54 3hie s PHE 236 Cb -0.03 0.36 0.07 0.00 -1.31 0.00 0.00 43.02 42.11 3hie s PHE 236 CO -0.00 -0.38 0.62 1.52 1.83 0.00 0.00 175.22 178.80 3hie s TYR 237 N 1.19 -0.57 -0.06 10.12 1.13 -1.26 -5.17 117.35 122.72 3hie s TYR 237 Ca -0.07 0.68 0.01 0.00 -1.41 0.00 0.00 57.07 56.27 3hie s TYR 237 Cb -0.06 0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 41.23 3hie s TYR 237 CO -0.12 -0.72 -0.06 -0.51 -2.51 0.00 0.00 175.55 171.63 3hie s LEU 238 N -2.00 3.22 0.50 -3.49 1.43 -1.26 -5.12 118.68 111.96 3hie s LEU 238 Ca -0.05 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 3hie s LEU 238 Cb -0.01 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 3hie s LEU 238 CO -0.02 0.36 0.91 -1.81 0.23 0.00 0.00 176.35 176.02 3hie s ASP 239 N -0.88 6.49 0.46 2.29 1.01 -1.26 -5.06 116.67 119.72 3hie s ASP 239 Ca 0.13 1.36 -0.22 0.00 0.71 0.00 0.00 52.55 54.53 3hie s ASP 239 Cb -0.11 -2.42 -0.08 0.00 1.01 0.00 0.00 42.92 41.32 3hie s ASP 239 CO 0.02 -0.58 1.11 -1.61 0.21 0.00 0.00 175.17 174.32 3hie s GLU 240 N -4.27 3.79 0.00 8.23 0.41 -1.26 -5.37 118.70 120.23 3hie s GLU 240 Ca 0.55 1.62 0.00 0.00 -0.41 0.00 0.00 54.97 56.73 3hie s GLU 240 Cb -0.10 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 29.92 3hie s GLU 240 CO 0.37 -0.48 0.23 0.54 -0.49 0.00 0.00 175.26 175.42