#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h h TYR 76 N 0.00 0.44 -1.79 -1.55 3.20 -2.11 -3.47 116.97 111.69 1s1h h TYR 76 Ca 0.00 -0.04 0.41 0.00 3.14 0.00 0.00 58.73 62.23 1s1h h TYR 76 Cb 0.00 -0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.05 1s1h h TYR 76 CO 0.00 0.47 1.01 0.00 -1.64 0.00 0.00 178.16 177.99 1s1h s ALA 77 N -5.43 -2.73 0.57 1.82 0.00 -1.26 -5.14 121.76 109.60 1s1h s ALA 77 Ca -0.13 0.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.97 1s1h s ALA 77 Cb 0.08 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 1s1h s ALA 77 CO 0.73 -1.16 1.10 0.54 0.00 0.00 0.00 175.76 176.98 1s1h s ASN 78 N -3.76 5.65 -0.04 0.00 2.20 -1.26 -4.91 114.94 112.83 1s1h s ASN 78 Ca 0.29 2.04 -0.30 0.00 -0.94 0.00 0.00 52.86 53.95 1s1h s ASN 78 Cb 0.02 -2.56 -0.06 0.00 -2.00 0.00 0.00 41.25 36.64 1s1h s ASN 78 CO -0.04 -1.26 1.70 -0.54 -2.94 0.00 0.00 177.10 174.02 1s1h s LYS 79 N -3.61 4.18 0.08 3.55 1.02 -1.26 -4.96 119.74 118.74 1s1h s LYS 79 Ca 0.69 2.26 -0.15 0.00 0.02 0.00 0.00 55.97 58.79 1s1h s LYS 79 Cb -0.21 -4.00 -0.06 0.00 -0.52 0.00 0.00 37.83 33.04 1s1h s LYS 79 CO 0.31 -0.86 0.49 -0.98 -0.92 0.00 0.00 175.35 173.40 1s1h s ARG 80 N 4.05 3.97 0.34 1.68 1.70 -1.26 -5.03 118.95 124.40 1s1h s ARG 80 Ca 0.76 0.47 -0.26 0.00 -0.47 0.00 0.00 55.73 56.23 1s1h s ARG 80 Cb -0.35 -3.08 -0.10 0.00 -0.57 0.00 0.00 34.95 30.85 1s1h s ARG 80 CO 0.31 0.58 0.99 -0.06 -1.08 0.00 0.00 175.30 176.04 1s1h s PHE 81 N -1.28 3.58 -0.01 5.89 0.40 -1.26 -5.03 117.98 120.27 1s1h s PHE 81 Ca 0.31 1.75 0.02 0.00 -0.60 0.00 0.00 56.93 58.41 1s1h s PHE 81 Cb -0.16 -3.01 -0.03 0.00 0.51 0.00 0.00 43.02 40.32 1s1h s PHE 81 CO 0.17 -0.07 -0.04 1.03 0.70 0.00 0.00 175.22 177.02 1s1h s ARG 82 N -2.08 2.69 0.26 0.44 0.52 -1.26 -5.07 118.95 114.45 1s1h s ARG 82 Ca 0.51 -0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 54.79 1s1h s ARG 82 Cb -0.21 -2.59 -0.09 0.00 0.52 0.00 0.00 34.95 32.57 1s1h s ARG 82 CO 0.27 0.62 1.26 -1.59 0.02 0.00 0.00 175.30 175.88 1s1h s LYS 83 N -1.36 4.44 0.88 3.54 0.00 -1.26 -4.86 119.74 121.11 1s1h s LYS 83 Ca 0.17 2.05 -0.11 0.00 0.00 0.00 0.00 55.97 58.08 1s1h s LYS 83 Cb -0.11 -3.15 0.12 0.00 0.00 0.00 0.00 37.83 34.69 1s1h s LYS 83 CO 0.07 -0.12 1.09 0.00 0.00 0.00 0.00 175.35 176.40 1s1h s ALA 84 N -0.63 1.60 0.34 0.59 0.00 -1.26 -4.77 121.76 117.63 1s1h s ALA 84 Ca 0.51 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 52.27 1s1h s ALA 84 Cb -0.37 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 1s1h s ALA 84 CO 0.44 -2.33 1.24 -0.65 0.00 0.00 0.00 175.76 174.46 1s1h s GLN 85 N -4.87 4.31 0.10 0.00 -1.52 -0.88 -4.78 119.66 112.03 1s1h s GLN 85 Ca 0.63 2.06 -0.18 0.00 -1.95 0.00 0.00 55.36 55.93 1s1h s GLN 85 Cb -0.19 -2.99 -0.06 0.00 -0.22 0.00 0.00 33.01 29.56 1s1h s GLN 85 CO 0.57 -0.17 1.61 0.00 -0.25 0.00 0.00 175.29 177.06 1s1h h PRO 87 N 0.29 -0.30 -5.19 0.00 0.11 -1.99 -3.42 132.00 121.50 1s1h h PRO 87 Ca 0.09 0.02 -0.67 0.00 0.11 0.00 0.00 66.00 65.55 1s1h h PRO 87 Cb 0.25 0.07 -0.34 0.00 0.11 0.00 0.00 31.00 31.09 1s1h h PRO 87 CO -0.00 0.07 -0.87 -1.50 -0.21 0.00 0.00 178.00 175.49 1s1h s ILE 88 N -4.08 2.01 -1.48 4.15 1.10 -1.24 -5.01 121.20 116.65 1s1h s ILE 88 Ca -0.13 -0.96 -0.12 0.00 -0.51 0.00 0.00 60.65 58.93 1s1h s ILE 88 Cb 0.01 -1.77 0.03 0.00 0.15 0.00 0.00 42.46 40.88 1s1h s ILE 88 CO 0.51 0.54 2.41 0.00 -2.11 0.00 0.00 174.94 176.29 1s1h n ILE 89 N 3.96 3.95 -4.42 2.00 0.13 -1.05 -3.47 119.36 120.45 1s1h n ILE 89 Ca -0.20 -3.17 -0.34 0.00 -1.10 0.00 0.00 62.75 57.95 1s1h n ILE 89 Cb 0.52 -2.54 -0.14 0.00 -0.84 0.00 0.00 39.64 36.64 1s1h n ILE 89 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 1s1h s GLU 90 N 2.22 3.43 0.18 9.51 0.41 -1.26 -4.46 118.70 128.72 1s1h s GLU 90 Ca 0.53 -0.64 -0.10 0.00 -0.41 0.00 0.00 54.97 54.36 1s1h s GLU 90 Cb 0.15 -2.80 0.06 0.00 -1.78 0.00 0.00 34.13 29.76 1s1h s GLU 90 CO -0.07 0.08 1.64 0.07 -0.49 0.00 0.00 175.26 176.49 1s1h h ARG 91 N 7.16 1.06 -0.52 1.61 0.11 -1.88 -2.26 114.38 119.66 1s1h h ARG 91 Ca -0.32 -0.34 0.02 0.00 0.10 0.00 0.00 59.98 59.44 1s1h h ARG 91 Cb 1.19 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 32.15 1s1h h ARG 91 CO 0.59 1.04 0.34 -0.07 0.10 0.00 0.00 179.97 181.97 1s1h h LEU 92 N 0.96 0.55 -0.49 0.08 4.07 -1.94 -0.12 115.31 118.41 1s1h h LEU 92 Ca 0.17 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 1s1h h LEU 92 Cb 0.56 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1s1h h LEU 92 CO 0.03 0.39 0.19 0.74 -1.08 0.00 0.00 178.44 178.71 1s1h h THR 93 N 0.65 1.21 -0.94 0.22 2.02 -1.88 -2.10 112.91 112.10 1s1h h THR 93 Ca 0.20 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1s1h h THR 93 Cb 0.01 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1s1h h THR 93 CO -0.05 0.25 0.58 -1.13 0.37 0.00 0.00 175.52 175.54 1s1h h ASN 94 N 0.65 1.11 -0.51 4.18 -1.24 -1.02 0.39 115.58 119.14 1s1h h ASN 94 Ca 0.16 -0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.15 1s1h h ASN 94 Cb 0.20 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.93 1s1h h ASN 94 CO -0.01 0.84 0.27 -1.28 -1.29 0.00 0.00 177.43 175.96 1s1h h SER 95 N 1.28 0.41 -0.81 1.15 0.87 -1.00 0.20 113.55 115.66 1s1h h SER 95 Ca 0.34 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.93 1s1h h SER 95 Cb -0.08 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 1s1h h SER 95 CO -0.07 0.29 0.54 0.25 -0.53 0.00 0.00 176.83 177.31 1s1h h LEU 96 N 0.54 0.93 -0.88 2.23 5.85 -0.42 -0.73 115.31 122.83 1s1h h LEU 96 Ca 0.22 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1s1h h LEU 96 Cb 0.09 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1s1h h LEU 96 CO -0.13 0.67 0.20 -0.03 -0.34 0.00 0.00 178.44 178.81 1s1h h MET 97 N 1.09 1.03 -0.62 1.25 4.05 0.69 -1.37 114.93 121.05 1s1h h MET 97 Ca 0.30 -0.21 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 1s1h h MET 97 Cb -0.11 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.50 1s1h h MET 97 CO -0.07 0.88 0.22 0.52 0.23 0.00 0.00 176.91 178.70 1s1h h MET 98 N 0.99 0.92 -0.72 0.39 2.86 0.73 -0.64 114.93 119.46 1s1h h MET 98 Ca 0.22 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1s1h h MET 98 Cb 0.29 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1s1h h MET 98 CO -0.01 0.77 0.30 -0.91 1.06 0.00 0.00 176.91 178.13 1s1h h ASN 99 N 0.90 0.96 -0.34 1.22 -0.26 -0.19 -2.59 115.58 115.28 1s1h h ASN 99 Ca 0.21 -0.13 -0.12 0.00 -0.56 0.00 0.00 56.30 55.70 1s1h h ASN 99 Cb 0.22 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1s1h h ASN 99 CO -0.01 0.84 -0.25 1.23 -1.06 0.00 0.00 177.43 178.17 1s1h h GLY 100 N 1.09 0.84 -2.23 2.83 0.00 -0.64 -3.46 103.07 101.51 1s1h h GLY 100 Ca 0.24 -0.82 -0.52 0.00 0.00 0.00 0.00 47.33 46.24 1s1h h GLY 100 CO -0.02 0.74 0.47 1.09 0.00 0.00 0.00 176.54 178.82 1s1h s ARG 101 N -4.48 3.21 -0.03 4.80 1.70 -0.33 -4.96 118.95 118.86 1s1h s ARG 101 Ca -0.12 1.78 -0.13 0.00 -0.47 0.00 0.00 55.73 56.79 1s1h s ARG 101 Cb 0.10 -2.04 0.02 0.00 -0.57 0.00 0.00 34.95 32.46 1s1h s ARG 101 CO 0.84 -1.00 0.29 0.54 -1.08 0.00 0.00 175.30 174.88 1s1h s ASN 102 N -1.57 -0.19 -1.24 -2.89 6.03 -1.26 -4.83 114.94 108.98 1s1h s ASN 102 Ca 0.74 0.15 0.00 0.00 -1.03 0.00 0.00 52.86 52.72 1s1h s ASN 102 Cb -0.29 0.36 0.00 0.00 -3.03 0.00 0.00 41.25 38.29 1s1h s ASN 102 CO 0.32 -0.37 0.00 0.59 -2.03 0.00 0.00 177.10 175.61 1s1h n ASN 103 N 1.61 -4.68 -1.04 3.54 4.13 -1.26 -2.43 115.26 115.14 1s1h n ASN 103 Ca -0.20 0.29 -0.14 0.00 1.68 0.00 0.00 54.58 56.21 1s1h n ASN 103 Cb 0.56 -3.21 -0.06 0.00 -1.54 0.00 0.00 39.78 35.54 1s1h n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s1h n GLY 104 N -1.19 1.41 3.27 7.41 0.00 -1.26 -4.86 105.19 109.98 1s1h n GLY 104 Ca -0.12 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1s1h n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s1h n LYS 105 N -2.51 3.19 -0.14 1.61 5.02 -1.02 -4.67 118.16 119.64 1s1h n LYS 105 Ca -0.14 -3.25 -0.03 0.00 -2.02 0.00 0.00 58.31 52.88 1s1h n LYS 105 Cb 0.46 -3.30 0.19 0.00 -0.02 0.00 0.00 35.03 32.36 1s1h n LYS 105 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1s1h h LYS 106 N 6.90 0.85 -0.02 1.97 1.79 -1.89 -2.36 116.57 123.80 1s1h h LYS 106 Ca 0.45 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1s1h h LYS 106 Cb 0.79 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1s1h h LYS 106 CO 1.54 0.75 0.01 1.37 -1.08 0.00 0.00 179.45 182.03 1s1h h LEU 107 N 0.82 0.04 -1.00 2.94 -0.00 -2.00 0.39 115.31 116.50 1s1h h LEU 107 Ca 0.18 -0.24 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 1s1h h LEU 107 Cb 0.27 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 40.88 1s1h h LEU 107 CO -0.01 0.27 0.38 0.11 -0.00 0.00 0.00 178.44 179.19 1s1h h LYS 108 N -0.20 1.09 -0.49 0.17 6.56 -1.91 -0.93 116.57 120.87 1s1h h LYS 108 Ca 0.01 -0.15 -0.01 0.00 -1.06 0.00 0.00 60.65 59.44 1s1h h LYS 108 Cb 0.25 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 1s1h h LYS 108 CO 0.00 0.83 0.26 0.00 -2.06 0.00 0.00 179.45 178.48 1s1h h ALA 109 N 1.33 0.63 -0.61 3.86 0.00 -1.14 -0.75 119.26 122.58 1s1h h ALA 109 Ca 0.27 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1s1h h ALA 109 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1s1h h ALA 109 CO -0.04 0.17 0.08 -0.39 0.00 0.00 0.00 179.25 179.08 1s1h h VAL 110 N 0.65 1.26 -0.39 0.00 -1.51 -0.01 -2.81 116.25 113.44 1s1h h VAL 110 Ca 0.17 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1s1h h VAL 110 Cb 0.08 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 29.96 1s1h h VAL 110 CO -0.02 0.38 0.25 0.03 -1.23 0.00 0.00 177.57 176.98 1s1h h ARG 111 N 0.93 0.51 -0.58 5.19 3.08 -0.64 -0.49 114.38 122.39 1s1h h ARG 111 Ca 0.18 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.23 1s1h h ARG 111 Cb 0.45 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1s1h h ARG 111 CO 0.02 0.34 0.35 0.97 -1.07 0.00 0.00 179.97 180.58 1s1h h ILE 112 N 0.52 1.07 -0.69 2.04 2.10 -0.96 0.31 117.51 121.90 1s1h h ILE 112 Ca 0.14 -0.24 -0.08 0.00 1.08 0.00 0.00 64.86 65.77 1s1h h ILE 112 Cb -0.05 0.31 -0.03 0.00 -1.09 0.00 0.00 36.82 35.96 1s1h h ILE 112 CO -0.03 0.13 0.14 0.40 -1.08 0.00 0.00 178.15 177.70 1s1h h ILE 113 N 0.70 1.26 -0.29 2.19 5.03 -1.19 -0.74 117.51 124.48 1s1h h ILE 113 Ca 0.23 -1.01 -0.06 0.00 -0.12 0.00 0.00 64.86 63.90 1s1h h ILE 113 Cb 0.01 0.58 -0.01 0.00 -3.03 0.00 0.00 36.82 34.38 1s1h h ILE 113 CO -0.10 0.39 -0.05 0.50 -0.68 0.00 0.00 178.15 178.21 1s1h h LYS 114 N 1.06 0.54 -0.57 2.37 3.11 0.25 -1.69 116.57 121.64 1s1h h LYS 114 Ca 0.21 -0.20 -0.03 0.00 -2.81 0.00 0.00 60.65 57.83 1s1h h LYS 114 Cb 0.41 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.58 1s1h h LYS 114 CO 0.01 0.73 0.23 0.45 -2.81 0.00 0.00 179.45 178.06 1s1h h HIS 115 N 0.31 0.83 -0.73 1.91 3.86 -0.27 0.56 115.15 121.62 1s1h h HIS 115 Ca 0.08 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1s1h h HIS 115 Cb 0.51 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1s1h h HIS 115 CO 0.05 0.64 0.35 1.79 0.86 0.00 0.00 177.93 181.61 1s1h h THR 116 N 0.82 1.24 -0.60 2.45 1.35 -0.85 -0.78 112.91 116.53 1s1h h THR 116 Ca 0.20 -0.67 0.01 0.00 -0.55 0.00 0.00 66.41 65.40 1s1h h THR 116 Cb 0.15 0.33 -0.03 0.00 -1.73 0.00 0.00 68.15 66.88 1s1h h THR 116 CO -0.02 0.28 0.40 -0.07 -0.25 0.00 0.00 175.52 175.86 1s1h h LEU 117 N 1.02 0.67 -0.96 3.87 4.07 0.01 0.47 115.31 124.46 1s1h h LEU 117 Ca 0.25 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.10 1s1h h LEU 117 Cb 0.12 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1s1h h LEU 117 CO -0.03 0.48 -0.23 0.44 -1.08 0.00 0.00 178.44 178.02 1s1h h ASP 118 N 0.79 0.48 -0.31 -0.43 5.19 -0.24 -1.54 116.42 120.36 1s1h h ASP 118 Ca 0.23 -0.16 -0.10 0.00 -0.62 0.00 0.00 57.03 56.38 1s1h h ASP 118 Cb -0.04 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 1s1h h ASP 118 CO -0.05 0.71 -0.15 0.40 -3.12 0.00 0.00 179.24 177.04 1s1h h ILE 119 N 0.43 1.26 -0.21 0.35 2.04 0.11 -2.24 117.51 119.25 1s1h h ILE 119 Ca 0.07 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.63 1s1h h ILE 119 Cb 0.64 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1s1h h ILE 119 CO 0.05 0.41 -0.25 0.40 0.00 0.00 0.00 178.15 178.76 1s1h h ILE 120 N 0.68 1.26 -0.08 -0.67 2.04 -0.09 -2.56 117.51 118.08 1s1h h ILE 120 Ca 0.11 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1s1h h ILE 120 Cb 0.63 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1s1h h ILE 120 CO 0.04 0.38 -0.04 0.78 0.00 0.00 0.00 178.15 179.31 1s1h h ASN 121 N 0.35 0.17 0.48 1.72 2.35 -0.77 -1.79 115.58 118.09 1s1h h ASN 121 Ca 0.05 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.37 1s1h h ASN 121 Cb 0.63 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1s1h h ASN 121 CO 0.04 0.54 -0.23 -0.37 -1.65 0.00 0.00 177.43 175.77 1s1h h VAL 122 N -0.20 0.26 -0.58 2.81 -1.51 -1.39 -3.26 116.25 112.38 1s1h h VAL 122 Ca 0.02 -0.53 -0.03 0.00 -1.23 0.00 0.00 66.70 64.93 1s1h h VAL 122 Cb 0.48 0.39 -0.03 0.00 -2.13 0.00 0.00 31.29 30.00 1s1h h VAL 122 CO 0.01 0.05 0.23 -0.07 -1.23 0.00 0.00 177.57 176.57 1s1h h LEU 123 N -1.06 0.76 -8.36 4.19 4.07 -1.61 -3.40 115.31 109.89 1s1h h LEU 123 Ca -0.07 -0.09 -0.62 0.00 0.08 0.00 0.00 57.88 57.18 1s1h h LEU 123 Cb 0.57 -0.20 -0.31 0.00 1.08 0.00 0.00 40.66 41.81 1s1h h LEU 123 CO 0.11 0.68 -0.86 -0.89 -1.08 0.00 0.00 178.44 176.40 1s1h s THR 124 N -5.39 1.69 0.48 0.22 2.01 -0.67 -5.00 115.64 108.97 1s1h s THR 124 Ca -0.10 -0.88 0.21 0.00 0.31 0.00 0.00 61.69 61.24 1s1h s THR 124 Cb 0.16 -1.44 0.26 0.00 0.01 0.00 0.00 72.50 71.50 1s1h s THR 124 CO 0.79 0.48 2.09 -0.78 -0.69 0.00 0.00 174.62 176.50 1s1h h ASP 125 N 6.05 0.00 -4.25 3.53 3.58 -1.78 -3.33 116.42 120.22 1s1h h ASP 125 Ca -0.34 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.61 1s1h h ASP 125 Cb 1.17 0.00 0.09 0.00 1.72 0.00 0.00 39.33 42.31 1s1h h ASP 125 CO 0.48 0.11 0.36 -1.10 -2.88 0.00 0.00 179.24 176.20 1s1h s GLN 126 N -4.57 2.88 0.16 0.28 1.11 -1.26 -4.98 119.66 113.28 1s1h s GLN 126 Ca -0.04 1.21 -0.30 0.00 0.01 0.00 0.00 55.36 56.24 1s1h s GLN 126 Cb 0.15 -1.97 -0.07 0.00 -1.01 0.00 0.00 33.01 30.10 1s1h s GLN 126 CO 0.63 -1.16 1.12 -0.80 0.01 0.00 0.00 175.29 175.09 1s1h s ASN 127 N -3.03 7.23 0.27 5.90 0.01 -1.26 -4.44 114.94 119.61 1s1h s ASN 127 Ca 0.63 2.09 0.00 0.00 -0.71 0.00 0.00 52.86 54.87 1s1h s ASN 127 Cb -0.17 -2.60 0.54 0.00 0.41 0.00 0.00 41.25 39.43 1s1h s ASN 127 CO 0.45 -0.26 1.80 1.55 -1.51 0.00 0.00 177.10 179.13 1s1h h PRO 128 N 5.31 0.78 -0.96 -0.60 0.13 -1.87 -1.98 132.00 132.81 1s1h h PRO 128 Ca -0.44 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1s1h h PRO 128 Cb 1.21 -0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 1s1h h PRO 128 CO 0.73 0.52 0.63 -0.84 -0.23 0.00 0.00 178.00 178.81 1s1h h ILE 129 N 0.80 1.20 -0.53 -3.56 3.07 -1.94 0.54 117.51 117.08 1s1h h ILE 129 Ca 0.48 -0.43 -0.12 0.00 1.55 0.00 0.00 64.86 66.35 1s1h h ILE 129 Cb 0.57 -0.16 -0.02 0.00 -0.27 0.00 0.00 36.82 36.95 1s1h h ILE 129 CO -0.31 0.23 -0.12 1.56 -1.05 0.00 0.00 178.15 178.46 1s1h h GLN 130 N 1.24 1.01 -0.47 0.16 1.08 -1.77 -2.56 115.11 113.81 1s1h h GLN 130 Ca 0.37 -0.38 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1s1h h GLN 130 Cb -0.06 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1s1h h GLN 130 CO -0.10 1.06 0.17 0.28 -0.95 0.00 0.00 178.83 179.28 1s1h h VAL 131 N 0.89 1.22 0.05 -0.54 2.07 -0.66 -1.64 116.25 117.64 1s1h h VAL 131 Ca 0.14 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1s1h h VAL 131 Cb 0.69 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1s1h h VAL 131 CO 0.05 0.25 -0.02 -0.37 0.02 0.00 0.00 177.57 177.50 1s1h h VAL 132 N 0.61 1.03 -0.86 2.57 -1.51 -0.95 -1.41 116.25 115.73 1s1h h VAL 132 Ca 0.15 -0.26 0.04 0.00 -1.23 0.00 0.00 66.70 65.41 1s1h h VAL 132 Cb 0.23 1.20 -0.05 0.00 -2.13 0.00 0.00 31.29 30.54 1s1h h VAL 132 CO -0.01 0.07 0.55 0.58 -1.23 0.00 0.00 177.57 177.52 1s1h h VAL 133 N -0.18 1.10 -0.33 7.19 2.07 -1.31 0.43 116.25 125.23 1s1h h VAL 133 Ca -0.01 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1s1h h VAL 133 Cb 0.16 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1s1h h VAL 133 CO 0.01 0.19 0.00 -0.78 0.02 0.00 0.00 177.57 177.01 1s1h h ASP 134 N 1.04 0.48 -0.20 0.57 1.82 -1.01 -2.11 116.42 117.01 1s1h h ASP 134 Ca 0.36 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.90 1s1h h ASP 134 Cb 0.07 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1s1h h ASP 134 CO -0.14 0.55 0.08 0.00 -1.61 0.00 0.00 179.24 178.12 1s1h h ALA 135 N 1.52 0.26 -0.89 -0.78 0.00 0.95 -2.20 119.26 118.11 1s1h h ALA 135 Ca 0.11 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1s1h h ALA 135 Cb 0.32 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1s1h h ALA 135 CO 0.01 -0.16 0.58 0.97 0.00 0.00 0.00 179.25 180.65 1s1h h ILE 136 N 0.17 1.10 -0.65 0.00 2.10 -0.74 -0.12 117.51 119.37 1s1h h ILE 136 Ca 0.07 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1s1h h ILE 136 Cb 0.16 -0.04 -0.03 0.00 -1.09 0.00 0.00 36.82 35.82 1s1h h ILE 136 CO -0.01 0.19 0.41 0.71 -1.08 0.00 0.00 178.15 178.38 1s1h h THR 137 N 1.05 1.18 -0.21 2.19 1.35 -0.79 -1.19 112.91 116.49 1s1h h THR 137 Ca 0.37 -0.37 -0.07 0.00 -0.55 0.00 0.00 66.41 65.79 1s1h h THR 137 Cb 0.12 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 66.78 1s1h h THR 137 CO -0.13 0.18 -0.17 0.78 -0.25 0.00 0.00 175.52 175.93 1s1h h ASN 138 N 0.89 0.36 1.42 5.36 4.21 -0.67 -2.97 115.58 124.18 1s1h h ASN 138 Ca 0.24 -0.09 -0.07 0.00 1.21 0.00 0.00 56.30 57.58 1s1h h ASN 138 Cb -0.06 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 1s1h h ASN 138 CO -0.05 0.55 -0.33 0.71 -1.29 0.00 0.00 177.43 177.02 1s1h h THR 139 N 0.34 0.61 -3.00 2.81 1.35 -0.54 -3.46 112.91 111.03 1s1h h THR 139 Ca 0.06 -1.68 -0.55 0.00 -0.55 0.00 0.00 66.41 63.69 1s1h h THR 139 Cb 0.50 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1s1h h THR 139 CO 0.03 0.32 0.77 -0.83 -0.25 0.00 0.00 175.52 175.57 1s1h s GLY 140 N -4.36 1.97 0.08 5.82 0.00 -0.54 -4.57 107.32 105.72 1s1h s GLY 140 Ca 0.04 0.73 -0.30 0.00 0.00 0.00 0.00 44.72 45.18 1s1h s GLY 140 CO 0.70 2.36 1.03 2.56 0.00 0.00 0.00 173.10 179.75 1s1h s PRO 141 N 2.37 4.60 0.06 2.90 0.04 -1.26 -4.94 135.00 138.77 1s1h s PRO 141 Ca 0.59 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.05 1s1h s PRO 141 Cb -0.27 -3.38 -0.28 0.00 0.04 0.00 0.00 34.50 30.61 1s1h s PRO 141 CO 0.24 0.04 1.11 0.07 0.04 0.00 0.00 177.00 178.49 1s1h h ARG 142 N 6.05 0.53 -4.59 4.56 0.11 -1.94 -3.44 114.38 115.67 1s1h h ARG 142 Ca -0.42 -0.75 -0.32 0.00 0.10 0.00 0.00 59.98 58.58 1s1h h ARG 142 Cb 1.21 0.26 -0.24 0.00 1.11 0.00 0.00 29.97 32.31 1s1h h ARG 142 CO 0.74 1.34 -0.75 -1.21 0.10 0.00 0.00 179.97 180.19 1s1h s GLU 143 N -2.89 0.55 0.09 0.08 2.02 -1.26 -2.58 118.70 114.71 1s1h s GLU 143 Ca -0.08 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 54.38 1s1h s GLU 143 Cb 0.06 -0.44 -0.04 0.00 0.10 0.00 0.00 34.13 33.81 1s1h s GLU 143 CO 0.92 0.10 -0.07 0.34 0.02 0.00 0.00 175.26 176.58 1s1h s ASP 144 N -0.96 1.08 -0.15 -0.19 2.15 -0.18 -3.87 116.67 114.54 1s1h s ASP 144 Ca -0.04 -0.91 -0.06 0.00 0.43 0.00 0.00 52.55 51.97 1s1h s ASP 144 Cb -0.07 0.08 -0.04 0.00 -0.30 0.00 0.00 42.92 42.60 1s1h s ASP 144 CO 0.00 -0.41 0.04 0.42 -0.17 0.00 0.00 175.17 175.05 1s1h s THR 145 N -3.17 4.61 -0.01 1.71 -4.23 -1.26 -0.43 115.64 112.85 1s1h s THR 145 Ca 0.07 -0.11 0.08 0.00 -1.18 0.00 0.00 61.69 60.56 1s1h s THR 145 Cb 0.02 -3.04 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 1s1h s THR 145 CO -0.04 0.51 -0.26 -0.89 -0.54 0.00 0.00 174.62 173.40 1s1h s THR 146 N 0.01 2.03 0.60 3.99 2.01 0.14 -4.93 115.64 119.48 1s1h s THR 146 Ca 0.05 -1.14 -0.14 0.00 0.31 0.00 0.00 61.69 60.76 1s1h s THR 146 Cb -0.12 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1s1h s THR 146 CO 0.01 0.53 1.03 0.00 -0.69 0.00 0.00 174.62 175.50 1s1h s ARG 147 N -0.72 3.48 0.02 4.92 1.70 -1.26 0.20 118.95 127.29 1s1h s ARG 147 Ca 0.10 0.99 -0.24 0.00 -0.47 0.00 0.00 55.73 56.11 1s1h s ARG 147 Cb -0.10 -2.06 0.06 0.00 -0.57 0.00 0.00 34.95 32.27 1s1h s ARG 147 CO -0.00 -0.66 0.55 0.54 -1.08 0.00 0.00 175.30 174.64 1s1h s VAL 148 N -2.78 0.02 -0.29 4.99 0.11 -0.03 -4.77 120.40 117.65 1s1h s VAL 148 Ca 0.59 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 59.34 1s1h s VAL 148 Cb -0.13 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1s1h s VAL 148 CO 0.42 -0.10 0.22 -0.83 -3.33 0.00 0.00 175.10 171.48 1s1h s GLY 149 N -1.75 1.93 0.01 6.54 0.00 -1.26 -0.76 107.32 112.04 1s1h s GLY 149 Ca -0.07 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1s1h s GLY 149 CO 0.01 0.71 0.02 0.61 0.00 0.00 0.00 173.10 174.45 1s1h n GLY 150 N 5.03 1.48 0.24 0.20 0.00 -0.92 -4.93 105.19 106.30 1s1h n GLY 150 Ca -0.13 -2.07 -0.05 0.00 0.00 0.00 0.00 46.02 43.77 1s1h n GLY 150 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s1h h GLY 151 N -0.00 0.85 -5.30 -0.02 0.00 -2.04 -3.39 103.07 93.17 1s1h h GLY 151 Ca -0.01 -0.30 -0.65 0.00 0.00 0.00 0.00 47.33 46.38 1s1h h GLY 151 CO 0.01 0.28 -0.87 -0.32 0.00 0.00 0.00 176.54 175.64 1s1h s GLY 152 N -2.78 1.21 0.51 4.60 0.00 -1.26 -5.04 107.32 104.56 1s1h s GLY 152 Ca -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1s1h s GLY 152 CO 0.75 -0.36 0.00 0.00 0.00 0.00 0.00 173.10 173.50 1s1h n ALA 153 N 3.36 -3.38 -2.59 3.20 0.00 -1.26 -4.63 120.51 115.21 1s1h n ALA 153 Ca -0.19 0.76 -0.43 0.00 0.00 0.00 0.00 53.44 53.58 1s1h n ALA 153 Cb 0.53 -1.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1s1h n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1h s ALA 154 N -3.77 3.46 0.47 0.00 0.00 -1.26 -2.15 121.76 118.50 1s1h s ALA 154 Ca 0.00 -1.79 -0.20 0.00 0.00 0.00 0.00 51.96 49.97 1s1h s ALA 154 Cb 0.00 -2.87 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 1s1h s ALA 154 CO 0.00 -1.50 0.98 -0.98 0.00 0.00 0.00 175.76 174.27 1s1h s ARG 155 N 1.65 4.01 -0.51 0.00 1.70 0.06 -4.65 118.95 121.22 1s1h s ARG 155 Ca 0.04 1.15 -0.16 0.00 -0.47 0.00 0.00 55.73 56.29 1s1h s ARG 155 Cb -0.20 -2.14 0.09 0.00 -0.57 0.00 0.00 34.95 32.13 1s1h s ARG 155 CO 0.09 -0.22 0.49 1.03 -1.08 0.00 0.00 175.30 175.60 1s1h s ARG 156 N -3.42 3.01 0.07 3.89 0.52 -1.26 -0.85 118.95 120.90 1s1h s ARG 156 Ca 0.63 -1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 54.16 1s1h s ARG 156 Cb -0.11 -4.18 -0.05 0.00 0.52 0.00 0.00 34.95 31.12 1s1h s ARG 156 CO 0.20 -1.18 1.03 -1.14 0.02 0.00 0.00 175.30 174.23 1s1h s GLN 157 N 1.88 4.58 0.29 3.54 2.00 0.13 -4.72 119.66 127.36 1s1h s GLN 157 Ca 0.06 1.54 -0.22 0.00 -2.00 0.00 0.00 55.36 54.74 1s1h s GLN 157 Cb -0.25 -3.39 -0.09 0.00 0.80 0.00 0.00 33.01 30.08 1s1h s GLN 157 CO 0.06 0.01 0.84 0.00 -0.50 0.00 0.00 175.29 175.71 1s1h s ALA 158 N 0.53 3.29 0.18 1.58 0.00 -1.26 0.25 121.76 126.32 1s1h s ALA 158 Ca 0.51 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 1s1h s ALA 158 Cb -0.25 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1s1h s ALA 158 CO 0.30 0.24 0.50 0.54 0.00 0.00 0.00 175.76 177.34 1s1h s VAL 159 N -1.64 0.03 1.01 0.00 0.11 0.43 -4.91 120.40 115.42 1s1h s VAL 159 Ca 0.48 -0.74 -0.14 0.00 -2.93 0.00 0.00 61.98 58.66 1s1h s VAL 159 Cb -0.17 -1.51 0.19 0.00 -1.53 0.00 0.00 36.38 33.37 1s1h s VAL 159 CO 0.21 -0.14 1.13 -1.81 -3.33 0.00 0.00 175.10 171.16 1s1h s ASP 160 N -2.86 2.63 0.01 3.54 1.01 -1.26 -1.01 116.67 118.73 1s1h s ASP 160 Ca 0.08 0.93 0.07 0.00 0.71 0.00 0.00 52.55 54.34 1s1h s ASP 160 Cb -0.00 -1.44 -0.02 0.00 1.01 0.00 0.00 42.92 42.46 1s1h s ASP 160 CO -0.04 -3.10 -0.21 0.54 0.21 0.00 0.00 175.17 172.57 1s1h s VAL 161 N -3.15 1.66 0.71 -1.27 0.11 -1.06 -4.61 120.40 112.78 1s1h s VAL 161 Ca 0.66 -1.04 -0.15 0.00 -2.93 0.00 0.00 61.98 58.52 1s1h s VAL 161 Cb -0.15 -1.41 0.03 0.00 -1.53 0.00 0.00 36.38 33.32 1s1h s VAL 161 CO 0.55 0.34 1.20 -0.55 -3.33 0.00 0.00 175.10 173.32 1s1h s SER 162 N -0.83 4.37 0.35 3.54 0.15 -1.26 -4.78 113.70 115.25 1s1h s SER 162 Ca 0.08 2.35 0.06 0.00 0.70 0.00 0.00 55.95 59.14 1s1h s SER 162 Cb -0.08 -2.59 0.64 0.00 -1.71 0.00 0.00 66.02 62.28 1s1h s SER 162 CO 0.00 -2.14 1.86 -0.65 1.20 0.00 0.00 173.24 173.51 1s1h h PRO 163 N -0.13 0.37 -0.31 5.44 0.11 -1.99 0.31 132.00 135.81 1s1h h PRO 163 Ca -0.48 -0.10 -0.11 0.00 0.11 0.00 0.00 66.00 65.42 1s1h h PRO 163 Cb 1.29 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1s1h h PRO 163 CO 0.51 0.50 -0.24 1.25 -0.21 0.00 0.00 178.00 179.80 1s1h h LEU 164 N 0.35 0.76 -0.81 2.35 5.85 -2.01 -3.12 115.31 118.68 1s1h h LEU 164 Ca 0.07 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 1s1h h LEU 164 Cb 0.43 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1s1h h LEU 164 CO 0.02 1.05 0.25 -0.09 -0.34 0.00 0.00 178.44 179.33 1s1h h ARG 165 N 0.48 1.14 -0.78 1.25 2.43 -1.77 -2.67 114.38 114.46 1s1h h ARG 165 Ca 0.06 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1s1h h ARG 165 Cb 0.80 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1s1h h ARG 165 CO 0.06 0.95 0.37 0.07 -1.51 0.00 0.00 179.97 179.92 1s1h h ARG 166 N 1.10 1.13 -0.30 0.20 -0.00 -0.91 -1.36 114.38 114.24 1s1h h ARG 166 Ca 0.24 -0.17 -0.03 0.00 -0.00 0.00 0.00 59.98 60.02 1s1h h ARG 166 Cb 0.28 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.97 30.03 1s1h h ARG 166 CO -0.01 0.89 0.07 -0.39 -0.00 0.00 0.00 179.97 180.52 1s1h h VAL 167 N 1.11 1.22 -0.77 0.08 -1.51 -1.42 0.41 116.25 115.38 1s1h h VAL 167 Ca 0.27 -0.74 -0.01 0.00 -1.23 0.00 0.00 66.70 64.99 1s1h h VAL 167 Cb 0.13 1.12 -0.04 0.00 -2.13 0.00 0.00 31.29 30.38 1s1h h VAL 167 CO -0.03 0.24 0.43 -0.55 -1.23 0.00 0.00 177.57 176.43 1s1h h ASN 168 N 0.33 0.95 -0.38 4.19 -1.07 -1.21 0.26 115.58 118.63 1s1h h ASN 168 Ca 0.09 -0.07 -0.07 0.00 0.07 0.00 0.00 56.30 56.32 1s1h h ASN 168 Cb 0.30 -0.24 -0.01 0.00 -2.07 0.00 0.00 38.32 36.29 1s1h h ASN 168 CO 0.00 0.76 -0.03 1.56 0.07 0.00 0.00 177.43 179.79 1s1h h GLN 169 N 1.07 0.70 -0.10 4.14 4.20 -0.98 -1.32 115.11 122.82 1s1h h GLN 169 Ca 0.27 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1s1h h GLN 169 Cb 0.02 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1s1h h GLN 169 CO -0.05 0.81 0.04 0.00 -0.67 0.00 0.00 178.83 178.97 1s1h h ALA 170 N 0.86 0.13 -0.43 3.87 0.00 0.51 0.24 119.26 124.46 1s1h h ALA 170 Ca 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1s1h h ALA 170 Cb 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1s1h h ALA 170 CO 0.03 -0.29 0.16 0.82 0.00 0.00 0.00 179.25 179.96 1s1h h ILE 171 N 0.02 1.21 -0.46 0.00 2.04 -1.02 -0.13 117.51 119.18 1s1h h ILE 171 Ca 0.03 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1s1h h ILE 171 Cb 0.15 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1s1h h ILE 171 CO -0.00 0.24 0.23 0.00 0.00 0.00 0.00 178.15 178.61 1s1h h ALA 172 N 1.00 0.59 -0.48 1.87 0.00 -0.98 -2.08 119.26 119.19 1s1h h ALA 172 Ca 0.14 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1s1h h ALA 172 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1s1h h ALA 172 CO -0.01 0.14 0.00 1.37 0.00 0.00 0.00 179.25 180.75 1s1h h LEU 173 N 0.59 0.75 0.13 0.00 8.10 -0.03 -1.12 115.31 123.74 1s1h h LEU 173 Ca 0.16 -0.18 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 1s1h h LEU 173 Cb 0.10 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 40.13 1s1h h LEU 173 CO -0.02 0.82 -0.06 -0.07 -4.11 0.00 0.00 178.44 174.99 1s1h h LEU 174 N 0.73 -0.15 -0.99 0.17 -0.00 -0.47 0.06 115.31 114.67 1s1h h LEU 174 Ca 0.14 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 1s1h h LEU 174 Cb 0.45 0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.10 1s1h h LEU 174 CO 0.02 -0.10 0.52 0.71 -0.00 0.00 0.00 178.44 179.59 1s1h h THR 175 N -0.19 1.25 -0.16 0.22 1.35 -1.04 0.41 112.91 114.75 1s1h h THR 175 Ca -0.02 -0.57 -0.02 0.00 -0.55 0.00 0.00 66.41 65.25 1s1h h THR 175 Cb 0.15 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.56 1s1h h THR 175 CO 0.03 0.27 0.02 0.40 -0.25 0.00 0.00 175.52 175.99 1s1h h ILE 176 N 1.24 1.22 -0.46 6.82 2.04 -0.83 -0.73 117.51 126.81 1s1h h ILE 176 Ca 0.32 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1s1h h ILE 176 Cb -0.03 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1s1h h ILE 176 CO -0.06 0.22 0.03 1.23 0.00 0.00 0.00 178.15 179.57 1s1h h GLY 177 N 0.04 0.80 1.02 5.37 0.00 -0.35 -0.73 103.07 109.21 1s1h h GLY 177 Ca 0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1s1h h GLY 177 CO 0.00 0.47 0.43 0.00 0.00 0.00 0.00 176.54 177.44 1s1h h ALA 178 N 1.33 1.01 0.00 3.60 0.00 0.08 0.14 119.26 125.43 1s1h h ALA 178 Ca 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1s1h h ALA 178 Cb 0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1s1h h ALA 178 CO 0.01 0.52 -0.25 0.00 0.00 0.00 0.00 179.25 179.54 1s1h h ARG 179 N 1.10 0.00 -0.32 0.00 3.08 -0.37 -2.29 114.38 115.58 1s1h h ARG 179 Ca 0.28 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.26 1s1h h ARG 179 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1s1h h ARG 179 CO -0.04 0.25 -0.07 1.49 -1.07 0.00 0.00 179.97 180.52 1s1h h GLU 180 N 0.00 0.52 -6.90 0.04 4.22 0.72 -3.45 114.58 109.73 1s1h h GLU 180 Ca -0.00 -0.14 -0.56 0.00 0.08 0.00 0.00 59.36 58.74 1s1h h GLU 180 Cb 0.49 -0.06 0.13 0.00 0.50 0.00 0.00 28.75 29.80 1s1h h GLU 180 CO 0.03 0.61 0.54 0.00 -2.18 0.00 0.00 179.01 178.01 1s1h n ALA 181 N -2.48 1.45 -0.12 2.92 0.00 -0.77 -4.91 120.51 116.61 1s1h n ALA 181 Ca 0.01 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 1s1h n ALA 181 Cb 0.29 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 1s1h n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1h h ALA 182 N 1.92 0.50 -1.98 0.00 0.00 -1.89 -3.44 119.26 114.37 1s1h h ALA 182 Ca -0.49 -0.38 -0.63 0.00 0.00 0.00 0.00 54.91 53.41 1s1h h ALA 182 Cb 1.29 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1s1h h ALA 182 CO 0.59 0.47 1.04 1.19 0.00 0.00 0.00 179.25 182.54 1s1h n PHE 183 N -4.26 2.27 -3.57 0.00 3.01 -1.26 -4.88 117.46 108.77 1s1h n PHE 183 Ca -0.02 0.10 -0.40 0.00 1.01 0.00 0.00 57.45 58.13 1s1h n PHE 183 Cb 0.44 -2.62 -0.07 0.00 -0.01 0.00 0.00 39.48 37.21 1s1h n PHE 183 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1s1h s ARG 184 N 3.66 2.76 0.09 -1.08 3.52 -1.26 -4.57 118.95 122.07 1s1h s ARG 184 Ca 0.92 -2.23 0.09 0.00 -0.13 0.00 0.00 55.73 54.38 1s1h s ARG 184 Cb -0.75 -3.96 -0.03 0.00 -1.56 0.00 0.00 34.95 28.65 1s1h s ARG 184 CO 0.52 -1.21 -0.22 -0.80 -0.81 0.00 0.00 175.30 172.79 1s1h s ASN 185 N 1.75 2.69 0.08 -2.12 -0.87 -1.25 -4.97 114.94 110.24 1s1h s ASN 185 Ca 0.13 -0.65 0.00 0.00 -1.57 0.00 0.00 52.86 50.77 1s1h s ASN 185 Cb -0.20 -0.17 0.00 0.00 -0.02 0.00 0.00 41.25 40.86 1s1h s ASN 185 CO -0.04 0.11 0.00 0.00 -2.57 0.00 0.00 177.10 174.60 1s1h n ILE 186 N 1.26 -0.10 -0.19 0.60 3.06 -1.26 -1.86 119.36 120.88 1s1h n ILE 186 Ca -0.19 0.12 0.14 0.00 -2.50 0.00 0.00 62.75 60.32 1s1h n ILE 186 Cb 0.53 -0.18 0.47 0.00 0.54 0.00 0.00 39.64 41.00 1s1h n ILE 186 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 1s1h h LYS 187 N -0.19 0.48 0.00 9.51 3.11 -2.03 -3.41 116.57 124.04 1s1h h LYS 187 Ca -0.02 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1s1h h LYS 187 Cb 0.19 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 1s1h h LYS 187 CO 0.01 0.32 0.00 0.25 -2.81 0.00 0.00 179.45 177.22 1s1h n THR 188 N -4.50 0.00 0.39 1.00 -2.24 -1.26 -5.00 114.28 102.67 1s1h n THR 188 Ca 0.15 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 1s1h n THR 188 Cb 0.50 -0.35 0.52 0.00 -2.10 0.00 0.00 70.33 68.90 1s1h n THR 188 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1s1h h ILE 189 N 0.00 0.00 -1.02 2.28 2.04 -1.80 -3.34 117.51 115.67 1s1h h ILE 189 Ca 0.00 -0.33 0.25 0.00 1.00 0.00 0.00 64.86 65.78 1s1h h ILE 189 Cb 0.00 1.14 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 1s1h h ILE 189 CO 0.00 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.78 1s1h h ALA 190 N 2.22 1.96 -0.43 1.87 0.00 -1.83 0.27 119.26 123.33 1s1h h ALA 190 Ca 0.00 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1s1h h ALA 190 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1s1h h ALA 190 CO 0.00 -0.39 -0.29 1.49 0.00 0.00 0.00 179.25 180.06 1s1h h GLU 191 N 0.53 0.93 -0.82 0.00 4.81 -1.61 -2.14 114.58 116.28 1s1h h GLU 191 Ca 0.62 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1s1h h GLU 191 Cb 1.31 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 1s1h h GLU 191 CO -0.40 1.09 0.54 1.79 -0.73 0.00 0.00 179.01 181.30 1s1h h THR 192 N 0.78 1.16 -0.44 0.32 1.35 -0.67 0.44 112.91 115.85 1s1h h THR 192 Ca 0.09 -0.36 -0.06 0.00 -0.55 0.00 0.00 66.41 65.53 1s1h h THR 192 Cb 0.86 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.28 1s1h h THR 192 CO 0.08 0.19 0.04 -0.07 -0.25 0.00 0.00 175.52 175.51 1s1h h LEU 193 N 1.05 0.72 -0.15 3.87 4.07 -1.38 0.62 115.31 124.10 1s1h h LEU 193 Ca 0.32 -0.28 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 1s1h h LEU 193 Cb -0.03 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1s1h h LEU 193 CO -0.08 0.82 0.08 0.00 -1.08 0.00 0.00 178.44 178.18 1s1h h ALA 194 N 0.93 0.20 -0.60 1.53 0.00 0.26 -0.87 119.26 120.70 1s1h h ALA 194 Ca 0.13 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1s1h h ALA 194 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1s1h h ALA 194 CO 0.01 -0.25 -0.01 1.49 0.00 0.00 0.00 179.25 180.49 1s1h h GLU 195 N 0.14 1.05 -0.39 0.00 4.81 -0.32 -2.77 114.58 117.10 1s1h h GLU 195 Ca 0.05 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1s1h h GLU 195 Cb 0.09 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1s1h h GLU 195 CO -0.01 1.03 0.22 1.49 -0.73 0.00 0.00 179.01 181.01 1s1h h GLU 196 N 0.96 0.54 -0.44 1.92 4.57 -0.51 -0.36 114.58 121.27 1s1h h GLU 196 Ca 0.17 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1s1h h GLU 196 Cb 0.56 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1s1h h GLU 196 CO 0.03 0.43 0.22 -0.07 -1.18 0.00 0.00 179.01 178.44 1s1h h LEU 197 N 0.51 0.57 -0.54 1.64 3.38 -1.00 -0.09 115.31 119.78 1s1h h LEU 197 Ca 0.14 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1s1h h LEU 197 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1s1h h LEU 197 CO -0.02 0.53 0.23 -0.29 0.09 0.00 0.00 178.44 178.98 1s1h h ILE 198 N 0.57 1.21 -0.18 1.22 2.10 -1.20 -1.43 117.51 119.80 1s1h h ILE 198 Ca 0.15 -0.64 0.01 0.00 1.08 0.00 0.00 64.86 65.46 1s1h h ILE 198 Cb 0.11 0.63 -0.01 0.00 -1.09 0.00 0.00 36.82 36.46 1s1h h ILE 198 CO -0.02 0.25 0.12 0.78 -1.08 0.00 0.00 178.15 178.20 1s1h h ASN 199 N 0.73 0.19 0.37 2.19 2.35 -0.45 -1.30 115.58 119.65 1s1h h ASN 199 Ca 0.18 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.81 1s1h h ASN 199 Cb 0.17 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1s1h h ASN 199 CO -0.02 0.14 -0.51 0.00 -1.65 0.00 0.00 177.43 175.39 1s1h h ALA 200 N 1.89 1.04 -0.40 -0.83 0.00 0.05 0.72 119.26 121.73 1s1h h ALA 200 Ca 0.07 -0.47 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1s1h h ALA 200 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1s1h h ALA 200 CO -0.01 0.65 0.55 0.00 0.00 0.00 0.00 179.25 180.44 1s1h h ALA 201 N 1.35 2.08 0.00 0.00 0.00 0.17 -3.37 119.26 119.50 1s1h h ALA 201 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s1h h ALA 201 Cb 0.94 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1s1h h ALA 201 CO 0.07 -0.76 0.00 1.17 0.00 0.00 0.00 179.25 179.73 1s1h n LYS 202 N -3.44 0.00 -0.19 0.00 4.81 -1.26 -4.27 118.16 113.80 1s1h n LYS 202 Ca 0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.43 1s1h n LYS 202 Cb 0.72 -1.10 0.02 0.00 0.02 0.00 0.00 35.03 34.69 1s1h n LYS 202 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1s1h h GLY 203 N 0.00 1.00 -7.38 3.14 0.00 -1.87 -3.33 103.07 94.64 1s1h h GLY 203 Ca 0.00 -0.68 -0.56 0.00 0.00 0.00 0.00 47.33 46.08 1s1h h GLY 203 CO 0.00 0.63 -0.77 -0.45 0.00 0.00 0.00 176.54 175.95 1s1h s SER 204 N -6.34 3.47 -0.92 0.19 0.15 -1.26 -5.03 113.70 103.96 1s1h s SER 204 Ca -0.12 -1.12 -0.00 0.00 0.70 0.00 0.00 55.95 55.40 1s1h s SER 204 Cb 0.12 -0.86 0.29 0.00 -1.71 0.00 0.00 66.02 63.87 1s1h s SER 204 CO 0.82 -0.31 1.27 -1.54 1.20 0.00 0.00 173.24 174.69 1s1h n SER 205 N 4.87 5.64 -1.88 5.45 3.41 -1.22 0.88 113.62 130.77 1s1h n SER 205 Ca -0.08 -3.47 -0.06 0.00 -0.26 0.00 0.00 58.87 55.00 1s1h n SER 205 Cb 0.45 -1.04 -0.02 0.00 -0.26 0.00 0.00 64.21 63.34 1s1h n SER 205 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1s1h n THR 206 N 0.95 0.00 0.00 6.66 5.66 0.25 -4.82 114.28 122.98 1s1h n THR 206 Ca 0.29 -0.60 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1s1h n THR 206 Cb 0.35 0.25 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1s1h n THR 206 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1s1h n SER 207 N -2.21 0.00 -0.07 1.09 2.88 -1.26 -3.21 113.62 110.83 1s1h n SER 207 Ca -0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1s1h n SER 207 Cb 0.15 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.87 1s1h n SER 207 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1s1h h TYR 208 N 0.00 0.71 -0.09 0.66 3.20 -1.95 -2.25 116.97 117.25 1s1h h TYR 208 Ca 0.00 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1s1h h TYR 208 Cb 0.00 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 1s1h h TYR 208 CO 0.00 0.60 0.05 0.00 -1.64 0.00 0.00 178.16 177.17 1s1h h ALA 209 N 1.45 0.11 -0.28 1.82 0.00 -1.84 -2.34 119.26 118.19 1s1h h ALA 209 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1s1h h ALA 209 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1s1h h ALA 209 CO -0.00 -0.35 -0.03 0.82 0.00 0.00 0.00 179.25 179.68 1s1h h ILE 210 N 0.05 1.18 -0.14 0.00 5.03 -1.68 -2.30 117.51 119.66 1s1h h ILE 210 Ca 0.03 -0.74 0.02 0.00 -0.12 0.00 0.00 64.86 64.05 1s1h h ILE 210 Cb 0.07 1.01 -0.02 0.00 -3.03 0.00 0.00 36.82 34.85 1s1h h ILE 210 CO -0.00 0.25 -0.00 0.50 -0.68 0.00 0.00 178.15 178.21 1s1h h LYS 211 N 0.41 0.04 -0.59 2.37 3.64 -0.88 0.20 116.57 121.76 1s1h h LYS 211 Ca 0.09 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1s1h h LYS 211 Cb 0.32 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1s1h h LYS 211 CO 0.01 0.03 0.38 0.87 -2.27 0.00 0.00 179.45 178.47 1s1h h LYS 212 N 0.04 0.75 -0.27 1.90 1.57 -1.12 0.38 116.57 119.82 1s1h h LYS 212 Ca 0.06 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1s1h h LYS 212 Cb 0.08 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1s1h h LYS 212 CO -0.11 0.50 0.15 -0.22 -0.57 0.00 0.00 179.45 179.20 1s1h h LYS 213 N 0.77 0.31 -0.41 3.15 3.11 -1.08 -0.06 116.57 122.37 1s1h h LYS 213 Ca 0.22 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.95 1s1h h LYS 213 Cb -0.06 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.08 1s1h h LYS 213 CO -0.06 0.21 -0.13 -0.44 -2.81 0.00 0.00 179.45 176.21 1s1h h ASP 214 N 0.32 0.73 -0.58 4.20 3.32 0.30 -2.65 116.42 122.06 1s1h h ASP 214 Ca 0.11 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 1s1h h ASP 214 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1s1h h ASP 214 CO -0.05 0.88 0.01 -0.33 -1.72 0.00 0.00 179.24 178.03 1s1h h GLU 215 N 0.67 1.02 -0.33 3.56 4.39 0.60 -0.63 114.58 123.85 1s1h h GLU 215 Ca 0.11 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 1s1h h GLU 215 Cb 0.60 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1s1h h GLU 215 CO 0.04 1.00 0.10 -0.07 -1.16 0.00 0.00 179.01 178.93 1s1h h LEU 216 N 0.91 0.48 -1.01 1.33 4.07 -0.78 -0.14 115.31 120.17 1s1h h LEU 216 Ca 0.17 -0.21 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 1s1h h LEU 216 Cb 0.54 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.12 1s1h h LEU 216 CO 0.03 0.56 0.37 -0.33 -1.08 0.00 0.00 178.44 177.98 1s1h h GLU 217 N 0.38 1.07 -0.63 1.13 5.08 -1.32 0.31 114.58 120.60 1s1h h GLU 217 Ca 0.11 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1s1h h GLU 217 Cb 0.25 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1s1h h GLU 217 CO -0.00 0.82 0.27 -0.09 -1.00 0.00 0.00 179.01 179.01 1s1h h ARG 218 N 1.06 0.93 -0.57 2.33 9.65 -0.67 -2.06 114.38 125.05 1s1h h ARG 218 Ca 0.26 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1s1h h ARG 218 Cb 0.10 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 1s1h h ARG 218 CO -0.03 0.77 0.37 0.28 2.80 0.00 0.00 179.97 184.16 1s1h h VAL 219 N 0.87 1.15 -4.28 0.20 2.07 0.67 -3.19 116.25 113.74 1s1h h VAL 219 Ca 0.21 -0.28 -0.51 0.00 0.82 0.00 0.00 66.70 66.95 1s1h h VAL 219 Cb 0.17 0.32 0.11 0.00 -1.52 0.00 0.00 31.29 30.36 1s1h h VAL 219 CO -0.02 0.14 0.35 0.00 0.02 0.00 0.00 177.57 178.06 1s1h s ALA 220 N -6.13 2.48 0.00 1.67 0.00 -0.07 -2.18 121.76 117.53 1s1h s ALA 220 Ca -0.13 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1s1h s ALA 220 Cb 0.13 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1s1h s ALA 220 CO 0.75 -1.39 0.00 1.17 0.00 0.00 0.00 175.76 176.29 1s1h n LYS 221 N -2.99 0.00 0.02 0.00 4.81 -1.26 -4.55 118.16 114.19 1s1h n LYS 221 Ca 0.09 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.34 1s1h n LYS 221 Cb 0.53 -2.69 -0.12 0.00 0.02 0.00 0.00 35.03 32.76 1s1h n LYS 221 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1s1h h SER 222 N 0.00 0.51 -2.09 3.14 0.02 -1.42 -3.24 113.55 110.48 1s1h h SER 222 Ca 0.00 -0.84 -0.77 0.00 -0.84 0.00 0.00 61.79 59.35 1s1h h SER 222 Cb 0.00 -0.16 -0.29 0.00 0.14 0.00 0.00 62.40 62.09 1s1h h SER 222 CO 0.00 1.29 0.88 0.59 -1.14 0.00 0.00 176.83 178.45 1s1h n ASN 223 N -4.18 7.18 0.00 3.07 3.02 -1.20 -5.13 115.26 118.02 1s1h n ASN 223 Ca -0.12 -3.77 0.06 0.00 -0.03 0.00 0.00 54.58 50.72 1s1h n ASN 223 Cb 0.74 -1.05 0.34 0.00 -0.61 0.00 0.00 39.78 39.20 1s1h n ASN 223 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53