#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h s LEU 75 N 0.00 4.32 0.51 0.99 1.02 -1.26 -4.04 118.68 120.21 1s1h s LEU 75 Ca 0.00 -0.91 -0.19 0.00 0.02 0.00 0.00 54.13 53.05 1s1h s LEU 75 Cb 0.00 -1.94 -0.08 0.00 0.02 0.00 0.00 46.19 44.19 1s1h s LEU 75 CO 0.00 -0.30 1.03 -1.58 0.02 0.00 0.00 176.35 175.52 1s1h s GLN 76 N 1.50 3.75 -0.23 1.70 2.00 0.20 -4.83 119.66 123.76 1s1h s GLN 76 Ca 0.01 1.26 -0.02 0.00 -2.00 0.00 0.00 55.36 54.61 1s1h s GLN 76 Cb -0.19 -2.09 0.07 0.00 0.80 0.00 0.00 33.01 31.60 1s1h s GLN 76 CO 0.04 -0.46 0.05 0.34 -0.50 0.00 0.00 175.29 174.77 1s1h s ASP 77 N -2.30 3.23 0.08 6.67 -1.08 -1.26 -1.84 116.67 120.17 1s1h s ASP 77 Ca 0.65 -1.03 0.06 0.00 -0.52 0.00 0.00 52.55 51.71 1s1h s ASP 77 Cb -0.15 -0.67 -0.04 0.00 -1.46 0.00 0.00 42.92 40.60 1s1h s ASP 77 CO 0.24 -0.33 -0.09 -0.70 0.52 0.00 0.00 175.17 174.81 1s1h s GLU 78 N 1.80 2.23 -0.22 4.34 2.12 -0.30 -4.96 118.70 123.70 1s1h s GLU 78 Ca 0.01 -0.95 -0.06 0.00 0.36 0.00 0.00 54.97 54.33 1s1h s GLU 78 Cb -0.17 -2.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.85 1s1h s GLU 78 CO -0.13 0.53 0.03 0.08 -0.54 0.00 0.00 175.26 175.23 1s1h s VAL 79 N -1.16 4.04 0.05 3.70 1.01 -1.26 0.11 120.40 126.89 1s1h s VAL 79 Ca 0.20 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 1s1h s VAL 79 Cb -0.11 -2.86 -0.17 0.00 0.00 0.00 0.00 36.38 33.24 1s1h s VAL 79 CO 0.12 0.39 1.53 -0.03 0.00 0.00 0.00 175.10 177.12 1s1h h MET 80 N 7.89 -0.33 0.00 2.72 4.05 -1.15 -3.48 114.93 124.62 1s1h h MET 80 Ca -0.38 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 1s1h h MET 80 Cb 1.17 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 1s1h h MET 80 CO 0.60 -0.13 0.00 0.27 0.23 0.00 0.00 176.91 177.88 1s1h n ASN 81 N -5.18 0.00 -4.18 1.39 2.04 -1.22 -4.99 115.26 103.11 1s1h n ASN 81 Ca -0.10 0.00 -0.27 0.00 -0.44 0.00 0.00 54.58 53.77 1s1h n ASN 81 Cb 0.20 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.29 1s1h n ASN 81 CO 0.00 0.00 0.00 0.27 -0.44 0.00 0.00 177.26 177.09 1s1h s ILE 82 N -2.00 1.60 0.13 1.53 -4.36 -1.26 -1.50 121.20 115.34 1s1h s ILE 82 Ca 0.00 -0.83 0.10 0.00 -0.26 0.00 0.00 60.65 59.67 1s1h s ILE 82 Cb 0.00 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.32 1s1h s ILE 82 CO 0.00 0.45 -0.25 -0.75 0.24 0.00 0.00 174.94 174.63 1s1h s LYS 83 N -0.15 1.35 0.29 0.37 2.20 -0.44 -4.96 119.74 118.40 1s1h s LYS 83 Ca -0.00 -1.33 0.11 0.00 -0.36 0.00 0.00 55.97 54.38 1s1h s LYS 83 Cb -0.11 -1.77 0.43 0.00 -1.51 0.00 0.00 37.83 34.87 1s1h s LYS 83 CO 0.02 0.41 1.66 -1.00 -0.36 0.00 0.00 175.35 176.08 1s1h h PRO 84 N 3.84 0.02 -5.28 4.03 0.13 -1.88 -2.35 132.00 130.51 1s1h h PRO 84 Ca -0.49 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 1s1h h PRO 84 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1s1h h PRO 84 CO 0.40 0.57 -0.82 1.33 -0.23 0.00 0.00 178.00 179.26 1s1h n VAL 85 N -3.87 -1.82 -3.07 1.56 0.24 -1.25 -3.57 118.33 106.54 1s1h n VAL 85 Ca -0.01 0.33 -0.28 0.00 -2.04 0.00 0.00 64.34 62.34 1s1h n VAL 85 Cb 0.57 -2.42 -0.02 0.00 -1.47 0.00 0.00 33.84 30.49 1s1h n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s1h s GLN 86 N -0.98 3.64 0.06 7.34 -2.07 -1.26 -2.77 119.66 123.62 1s1h s GLN 86 Ca 0.05 0.13 -0.03 0.00 -1.82 0.00 0.00 55.36 53.69 1s1h s GLN 86 Cb -0.01 -2.52 -0.03 0.00 -1.09 0.00 0.00 33.01 29.36 1s1h s GLN 86 CO 0.12 0.06 0.04 -1.59 -1.32 0.00 0.00 175.29 172.59 1s1h s LYS 87 N -3.95 0.68 -0.03 9.60 -2.85 -1.08 -4.98 119.74 117.12 1s1h s LYS 87 Ca 0.46 -1.13 0.07 0.00 -1.00 0.00 0.00 55.97 54.38 1s1h s LYS 87 Cb -0.10 0.25 -0.02 0.00 -2.06 0.00 0.00 37.83 35.90 1s1h s LYS 87 CO 0.34 -0.16 -0.25 1.14 0.10 0.00 0.00 175.35 176.52 1s1h s GLN 88 N -3.86 2.19 0.00 1.78 1.03 -1.26 -1.50 119.66 118.04 1s1h s GLN 88 Ca 0.06 -0.91 0.00 0.00 0.04 0.00 0.00 55.36 54.55 1s1h s GLN 88 Cb 0.07 -2.04 0.00 0.00 0.03 0.00 0.00 33.01 31.07 1s1h s GLN 88 CO -0.10 0.51 0.00 0.25 -2.54 0.00 0.00 175.29 173.41 1s1h n THR 89 N 2.58 0.00 -1.66 3.63 -2.24 0.52 -4.99 114.28 112.12 1s1h n THR 89 Ca -0.16 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.18 1s1h n THR 89 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1s1h n THR 89 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s1h n ARG 90 N 0.00 2.63 -3.94 -0.78 5.12 -1.26 -2.25 116.66 116.19 1s1h n ARG 90 Ca 0.00 0.95 -0.32 0.00 -1.93 0.00 0.00 57.85 56.55 1s1h n ARG 90 Cb 0.00 -2.95 -0.03 0.00 -1.16 0.00 0.00 32.46 28.31 1s1h n ARG 90 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s1h n ALA 91 N 7.79 -1.17 -3.64 7.54 0.00 -1.26 -4.85 120.51 124.92 1s1h n ALA 91 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.57 1s1h n ALA 91 Cb 0.39 -2.84 -0.07 0.00 0.00 0.00 0.00 19.45 16.93 1s1h n ALA 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1s1h s GLY 92 N -3.02 0.11 -0.06 0.00 0.00 -0.95 -5.13 107.32 98.27 1s1h s GLY 92 Ca 0.62 3.09 -0.08 0.00 0.00 0.00 0.00 44.72 48.35 1s1h s GLY 92 CO 0.76 1.82 0.23 -0.86 0.00 0.00 0.00 173.10 175.05 1s1h s GLN 93 N 0.02 3.57 -0.10 2.90 -2.07 -1.26 -0.35 119.66 122.36 1s1h s GLN 93 Ca 0.05 -0.02 -0.05 0.00 -1.82 0.00 0.00 55.36 53.53 1s1h s GLN 93 Cb -0.05 -3.17 0.05 0.00 -1.09 0.00 0.00 33.01 28.75 1s1h s GLN 93 CO -0.11 0.73 0.23 -0.98 -1.32 0.00 0.00 175.29 173.84 1s1h s ARG 94 N -1.25 0.19 0.25 9.60 1.70 -0.56 -4.97 118.95 123.91 1s1h s ARG 94 Ca 0.20 0.52 0.09 0.00 -0.47 0.00 0.00 55.73 56.07 1s1h s ARG 94 Cb -0.13 -0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.08 1s1h s ARG 94 CO 0.09 -0.17 0.04 0.95 -1.08 0.00 0.00 175.30 175.13 1s1h s THR 95 N 1.32 3.68 0.23 4.99 -4.23 -1.26 -2.64 115.64 117.74 1s1h s THR 95 Ca -0.09 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 1s1h s THR 95 Cb -0.11 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.72 1s1h s THR 95 CO -0.08 -0.34 0.08 -0.13 -0.54 0.00 0.00 174.62 173.61 1s1h s ARG 96 N -3.62 1.32 0.07 3.99 0.52 -1.11 -4.91 118.95 115.22 1s1h s ARG 96 Ca 0.31 -1.70 0.08 0.00 -0.52 0.00 0.00 55.73 53.91 1s1h s ARG 96 Cb -0.07 -0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.14 1s1h s ARG 96 CO 0.21 -0.26 -0.20 -0.06 0.02 0.00 0.00 175.30 175.00 1s1h s PHE 97 N -3.76 2.48 -0.04 -0.53 0.40 0.11 -3.97 117.98 112.67 1s1h s PHE 97 Ca 0.35 -0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.44 1s1h s PHE 97 Cb 0.07 -1.39 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 1s1h s PHE 97 CO 0.11 0.28 -0.24 0.21 0.70 0.00 0.00 175.22 176.29 1s1h s LYS 98 N -1.69 2.28 -0.03 0.44 2.47 -0.88 -1.11 119.74 121.21 1s1h s LYS 98 Ca 0.15 -0.85 0.03 0.00 -1.56 0.00 0.00 55.97 53.74 1s1h s LYS 98 Cb -0.10 -2.00 0.00 0.00 -1.46 0.00 0.00 37.83 34.27 1s1h s LYS 98 CO 0.06 0.40 -0.11 0.00 0.16 0.00 0.00 175.35 175.86 1s1h s ALA 99 N -0.24 1.01 -0.19 3.13 0.00 -0.62 -1.33 121.76 123.52 1s1h s ALA 99 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 1s1h s ALA 99 Cb -0.12 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1s1h s ALA 99 CO 0.02 0.17 0.04 0.08 0.00 0.00 0.00 175.76 176.07 1s1h s VAL 100 N 0.19 4.49 -0.02 0.00 1.01 -0.56 -2.10 120.40 123.41 1s1h s VAL 100 Ca -0.04 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1s1h s VAL 100 Cb -0.10 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1s1h s VAL 100 CO 0.01 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 1s1h s VAL 101 N 0.62 1.11 -0.08 2.92 1.01 -0.26 -0.50 120.40 125.22 1s1h s VAL 101 Ca 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1s1h s VAL 101 Cb -0.13 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1s1h s VAL 101 CO 0.02 0.32 -0.03 -0.69 0.00 0.00 0.00 175.10 174.72 1s1h s VAL 102 N -0.12 4.04 -0.04 2.92 1.01 0.12 -1.24 120.40 127.10 1s1h s VAL 102 Ca 0.01 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1s1h s VAL 102 Cb -0.08 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1s1h s VAL 102 CO 0.00 0.60 -0.09 -0.69 0.00 0.00 0.00 175.10 174.92 1s1h s VAL 103 N -0.86 0.80 -0.06 2.92 1.01 -0.07 -1.15 120.40 122.99 1s1h s VAL 103 Ca 0.13 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1s1h s VAL 103 Cb -0.11 -0.73 0.07 0.00 0.00 0.00 0.00 36.38 35.60 1s1h s VAL 103 CO 0.02 0.26 0.65 -0.83 0.00 0.00 0.00 175.10 175.21 1s1h s GLY 104 N 0.40 -0.55 0.21 4.51 0.00 -0.77 -0.18 107.32 110.94 1s1h s GLY 104 Ca -0.07 1.28 0.10 0.00 0.00 0.00 0.00 44.72 46.03 1s1h s GLY 104 CO 0.01 0.94 1.45 -1.80 0.00 0.00 0.00 173.10 173.70 1s1h h ASP 105 N 3.17 0.00 -0.07 1.64 1.82 -1.54 0.56 116.42 122.01 1s1h h ASP 105 Ca -0.27 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.34 1s1h h ASP 105 Cb 1.14 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 1s1h h ASP 105 CO 0.37 0.77 -0.03 -0.24 -1.61 0.00 0.00 179.24 178.51 1s1h n SER 106 N -3.53 -4.01 -0.15 2.28 2.88 -1.26 -4.84 113.62 104.98 1s1h n SER 106 Ca -0.00 0.04 0.07 0.00 -1.33 0.00 0.00 58.87 57.64 1s1h n SER 106 Cb 0.77 -1.64 0.11 0.00 -0.75 0.00 0.00 64.21 62.70 1s1h n SER 106 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1s1h n ASN 107 N -0.12 2.43 0.00 -3.46 4.13 -1.26 -3.30 115.26 113.68 1s1h n ASN 107 Ca -0.01 -2.73 0.00 0.00 1.68 0.00 0.00 54.58 53.52 1s1h n ASN 107 Cb 0.19 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 1s1h n ASN 107 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s1h n GLY 108 N -1.00 0.99 3.14 7.41 0.00 -1.26 -4.07 105.19 110.41 1s1h n GLY 108 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1s1h n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s1h s HIS 109 N -2.00 2.37 0.02 1.61 3.76 -1.26 -4.28 115.29 115.51 1s1h s HIS 109 Ca 0.00 -1.09 0.00 0.00 -0.15 0.00 0.00 55.06 53.82 1s1h s HIS 109 Cb 0.00 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 32.04 1s1h s HIS 109 CO 0.00 -0.50 -0.03 0.14 -0.85 0.00 0.00 174.74 173.50 1s1h s VAL 110 N 0.71 0.14 0.01 -0.90 -7.23 -1.05 -2.01 120.40 110.06 1s1h s VAL 110 Ca -0.11 -0.97 -0.01 0.00 -1.81 0.00 0.00 61.98 59.08 1s1h s VAL 110 Cb -0.16 -0.35 -0.01 0.00 0.56 0.00 0.00 36.38 36.41 1s1h s VAL 110 CO 0.02 -0.53 0.00 -0.83 -0.31 0.00 0.00 175.10 173.45 1s1h s GLY 111 N -1.56 0.15 -0.05 2.32 0.00 0.74 0.81 107.32 109.74 1s1h s GLY 111 Ca -0.14 -0.35 0.05 0.00 0.00 0.00 0.00 44.72 44.28 1s1h s GLY 111 CO -0.01 -0.41 -0.21 -2.27 0.00 0.00 0.00 173.10 170.19 1s1h s LEU 112 N -1.03 2.00 -0.03 0.66 1.98 -1.26 -0.89 118.68 120.11 1s1h s LEU 112 Ca -0.11 -0.43 -0.02 0.00 -2.89 0.00 0.00 54.13 50.68 1s1h s LEU 112 Cb -0.07 -1.16 0.02 0.00 0.66 0.00 0.00 46.19 45.63 1s1h s LEU 112 CO -0.00 0.21 0.07 -0.83 -1.89 0.00 0.00 176.35 173.90 1s1h s GLY 113 N -0.13 -0.01 -0.26 7.98 0.00 -0.37 -4.31 107.32 110.22 1s1h s GLY 113 Ca -0.02 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.00 1s1h s GLY 113 CO 0.02 0.42 -0.08 -0.26 0.00 0.00 0.00 173.10 173.21 1s1h s ILE 114 N 0.46 2.53 0.06 0.90 -4.36 -1.26 -1.10 121.20 118.42 1s1h s ILE 114 Ca -0.04 -1.37 0.07 0.00 -0.26 0.00 0.00 60.65 59.05 1s1h s ILE 114 Cb -0.05 -2.39 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 1s1h s ILE 114 CO -0.02 0.06 -0.18 -0.54 0.24 0.00 0.00 174.94 174.50 1s1h s LYS 115 N 1.21 1.15 0.11 0.37 1.02 -0.89 -4.85 119.74 117.86 1s1h s LYS 115 Ca -0.05 -0.93 0.09 0.00 0.02 0.00 0.00 55.97 55.10 1s1h s LYS 115 Cb -0.18 -1.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.83 1s1h s LYS 115 CO -0.05 0.31 -0.19 0.99 -0.92 0.00 0.00 175.35 175.50 1s1h s THR 116 N -0.92 2.80 0.19 2.17 2.01 -1.26 -1.59 115.64 119.05 1s1h s THR 116 Ca 0.05 -1.49 -0.23 0.00 0.31 0.00 0.00 61.69 60.33 1s1h s THR 116 Cb -0.09 -2.28 0.05 0.00 0.01 0.00 0.00 72.50 70.20 1s1h s THR 116 CO 0.02 0.12 0.72 0.00 -0.69 0.00 0.00 174.62 174.79 1s1h s ALA 117 N -1.12 -1.47 0.44 7.40 0.00 -0.27 -4.76 121.76 121.98 1s1h s ALA 117 Ca 0.17 0.16 0.14 0.00 0.00 0.00 0.00 51.96 52.44 1s1h s ALA 117 Cb -0.11 0.80 0.98 0.00 0.00 0.00 0.00 23.12 24.80 1s1h s ALA 117 CO 0.09 -0.91 1.98 -0.22 0.00 0.00 0.00 175.76 176.71 1s1h h LYS 118 N 2.00 0.01 -6.62 0.00 3.11 -1.91 0.31 116.57 113.47 1s1h h LYS 118 Ca -0.25 -0.00 -0.66 0.00 -2.81 0.00 0.00 60.65 56.93 1s1h h LYS 118 Cb 1.27 -0.00 -0.18 0.00 -1.00 0.00 0.00 32.23 32.31 1s1h h LYS 118 CO 0.30 0.19 -0.82 -1.83 -2.81 0.00 0.00 179.45 174.48 1s1h s GLU 119 N -4.63 1.57 0.15 1.90 -1.05 -1.26 -4.47 118.70 110.91 1s1h s GLU 119 Ca -0.04 -1.48 -0.15 0.00 -0.15 0.00 0.00 54.97 53.15 1s1h s GLU 119 Cb 0.16 -1.89 0.03 0.00 -0.44 0.00 0.00 34.13 31.99 1s1h s GLU 119 CO 0.70 0.41 1.76 0.28 0.95 0.00 0.00 175.26 179.36 1s1h h VAL 120 N 3.22 1.16 -0.32 1.83 2.07 -1.93 -1.81 116.25 120.47 1s1h h VAL 120 Ca -0.47 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1s1h h VAL 120 Cb 1.20 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1s1h h VAL 120 CO 0.48 0.17 0.12 0.00 0.02 0.00 0.00 177.57 178.35 1s1h h ALA 121 N 1.10 0.42 -0.64 1.67 0.00 -1.96 -0.02 119.26 119.84 1s1h h ALA 121 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1s1h h ALA 121 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1s1h h ALA 121 CO -0.03 0.03 0.35 0.78 0.00 0.00 0.00 179.25 180.39 1s1h h GLY 122 N 0.37 0.94 0.88 0.00 0.00 -1.92 -0.31 103.07 103.02 1s1h h GLY 122 Ca 0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1s1h h GLY 122 CO -0.01 0.39 0.07 0.00 0.00 0.00 0.00 176.54 177.00 1s1h h ALA 123 N 1.50 0.32 -0.41 3.60 0.00 -0.52 0.17 119.26 123.92 1s1h h ALA 123 Ca 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1s1h h ALA 123 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1s1h h ALA 123 CO -0.04 -0.04 0.13 0.97 0.00 0.00 0.00 179.25 180.27 1s1h h ILE 124 N 0.23 1.22 -0.56 0.00 2.10 -0.10 0.28 117.51 120.68 1s1h h ILE 124 Ca 0.08 -0.73 -0.07 0.00 1.08 0.00 0.00 64.86 65.22 1s1h h ILE 124 Cb 0.25 0.91 -0.02 0.00 -1.09 0.00 0.00 36.82 36.87 1s1h h ILE 124 CO -0.00 0.26 0.07 0.08 -1.08 0.00 0.00 178.15 177.47 1s1h h ARG 125 N 0.53 0.91 -0.67 2.19 0.11 -0.98 0.11 114.38 116.58 1s1h h ARG 125 Ca 0.13 -0.23 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 1s1h h ARG 125 Cb 0.27 -0.11 -0.03 0.00 1.11 0.00 0.00 29.97 31.20 1s1h h ARG 125 CO -0.00 0.86 0.34 0.00 0.10 0.00 0.00 179.97 181.27 1s1h h ALA 126 N 1.21 0.87 -0.53 0.08 0.00 0.29 -1.53 119.26 119.64 1s1h h ALA 126 Ca 0.17 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1s1h h ALA 126 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1s1h h ALA 126 CO 0.01 0.42 0.08 0.78 0.00 0.00 0.00 179.25 180.54 1s1h h GLY 127 N 0.93 0.95 0.87 0.00 0.00 0.43 -0.63 103.07 105.62 1s1h h GLY 127 Ca 0.23 -0.64 0.02 0.00 0.00 0.00 0.00 47.33 46.95 1s1h h GLY 127 CO -0.03 0.59 0.24 -2.22 0.00 0.00 0.00 176.54 175.12 1s1h h ILE 128 N 0.77 1.02 -0.69 2.60 2.04 -0.29 0.65 117.51 123.61 1s1h h ILE 128 Ca 0.16 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1s1h h ILE 128 Cb 0.41 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1s1h h ILE 128 CO 0.01 0.09 0.24 -0.29 0.00 0.00 0.00 178.15 178.20 1s1h h ILE 129 N 0.49 1.25 -0.61 -0.67 2.10 -1.03 -0.90 117.51 118.14 1s1h h ILE 129 Ca 0.17 -0.84 -0.08 0.00 1.08 0.00 0.00 64.86 65.20 1s1h h ILE 129 Cb 0.03 0.50 -0.02 0.00 -1.09 0.00 0.00 36.82 36.24 1s1h h ILE 129 CO -0.09 0.33 0.07 -0.29 -1.08 0.00 0.00 178.15 177.09 1s1h h ILE 130 N 1.00 1.26 -0.69 2.19 6.09 0.54 -2.41 117.51 125.48 1s1h h ILE 130 Ca 0.22 -1.03 -0.04 0.00 -1.37 0.00 0.00 64.86 62.64 1s1h h ILE 130 Cb 0.27 0.72 -0.03 0.00 0.47 0.00 0.00 36.82 38.24 1s1h h ILE 130 CO -0.01 0.38 0.29 0.00 -3.07 0.00 0.00 178.15 175.74 1s1h h ALA 131 N 1.13 1.20 -0.83 0.18 0.00 0.89 -1.72 119.26 120.11 1s1h h ALA 131 Ca 0.18 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1s1h h ALA 131 Cb 0.45 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1s1h h ALA 131 CO 0.02 0.59 0.55 -0.22 0.00 0.00 0.00 179.25 180.18 1s1h h LYS 132 N 0.99 0.95 -7.16 0.00 3.64 -0.69 -3.37 116.57 110.95 1s1h h LYS 132 Ca 0.23 -0.06 -0.48 0.00 -1.27 0.00 0.00 60.65 59.08 1s1h h LYS 132 Cb 0.17 -0.21 0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1s1h h LYS 132 CO -0.02 0.63 0.34 -1.17 -2.27 0.00 0.00 179.45 176.96 1s1h s LEU 133 N -9.90 3.63 -0.69 5.20 1.98 -0.64 -4.32 118.68 113.93 1s1h s LEU 133 Ca -0.11 1.50 -0.02 0.00 -2.89 0.00 0.00 54.13 52.61 1s1h s LEU 133 Cb 0.19 -4.44 0.00 0.00 0.66 0.00 0.00 46.19 42.60 1s1h s LEU 133 CO 0.79 -0.58 0.68 -0.24 -1.89 0.00 0.00 176.35 175.11 1s1h n SER 134 N -1.60 -7.76 -4.84 3.68 2.88 -1.26 -4.74 113.62 99.97 1s1h n SER 134 Ca 0.06 0.01 -0.28 0.00 -1.33 0.00 0.00 58.87 57.33 1s1h n SER 134 Cb 0.54 -5.28 -0.05 0.00 -0.75 0.00 0.00 64.21 58.67 1s1h n SER 134 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1s1h s VAL 135 N -2.95 4.81 -0.05 2.46 0.11 -1.26 -4.06 120.40 119.45 1s1h s VAL 135 Ca 0.03 -0.84 0.05 0.00 -2.93 0.00 0.00 61.98 58.29 1s1h s VAL 135 Cb -0.01 -3.42 -0.01 0.00 -1.53 0.00 0.00 36.38 31.42 1s1h s VAL 135 CO 0.74 -0.03 -0.21 -0.51 -3.33 0.00 0.00 175.10 171.76 1s1h s ILE 136 N -1.65 1.76 -1.36 7.04 1.10 0.24 -4.94 121.20 123.40 1s1h s ILE 136 Ca 0.32 -0.89 -0.11 0.00 -0.51 0.00 0.00 60.65 59.46 1s1h s ILE 136 Cb -0.11 -1.50 -0.06 0.00 0.15 0.00 0.00 42.46 40.94 1s1h s ILE 136 CO 0.25 0.49 2.54 -2.65 -2.11 0.00 0.00 174.94 173.47 1s1h n PRO 137 N 3.09 2.98 -1.65 3.50 -0.02 -1.26 -2.53 135.00 139.12 1s1h n PRO 137 Ca -0.18 -2.06 -0.49 0.00 -2.02 0.00 0.00 63.50 58.75 1s1h n PRO 137 Cb 0.52 -2.81 -0.05 0.00 -0.02 0.00 0.00 33.50 31.14 1s1h n PRO 137 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1s1h n ILE 138 N 4.20 0.07 -2.67 4.25 3.06 -1.26 -5.02 119.36 121.98 1s1h n ILE 138 Ca 0.63 -0.01 -0.42 0.00 -2.50 0.00 0.00 62.75 60.45 1s1h n ILE 138 Cb 0.25 -1.33 -0.02 0.00 0.54 0.00 0.00 39.64 39.08 1s1h n ILE 138 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1s1h s ARG 139 N 1.18 3.70 0.00 9.51 1.81 -1.26 -4.78 118.95 129.11 1s1h s ARG 139 Ca 0.83 -1.53 0.00 0.00 -1.72 0.00 0.00 55.73 53.30 1s1h s ARG 139 Cb -0.78 -5.28 0.00 0.00 -0.45 0.00 0.00 34.95 28.44 1s1h s ARG 139 CO 0.43 -2.09 0.00 -2.13 -0.68 0.00 0.00 175.30 170.83 1s1h n ARG 140 N 8.04 3.26 -1.68 3.54 0.63 -1.26 -4.16 116.66 125.04 1s1h n ARG 140 Ca 0.34 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.96 1s1h n ARG 140 Cb 0.49 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.44 1s1h n ARG 140 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1s1h s GLY 141 N -0.40 1.66 0.05 5.14 0.00 -0.87 -2.82 107.32 110.08 1s1h s GLY 141 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.75 1s1h s GLY 141 CO 0.00 0.31 0.05 2.98 0.00 0.00 0.00 173.10 176.44 1s1h n TYR 142 N -3.00 -0.21 -1.64 1.90 9.36 -1.24 -4.24 117.16 118.09 1s1h n TYR 142 Ca 0.07 -0.39 -0.38 0.00 3.32 0.00 0.00 57.90 60.52 1s1h n TYR 142 Cb 0.54 0.05 0.05 0.00 -0.63 0.00 0.00 39.34 39.35 1s1h n TYR 142 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 1s1h n TRP 143 N -0.09 1.10 -1.49 2.98 -0.00 -1.21 -4.68 117.44 114.06 1s1h n TRP 143 Ca 0.01 0.45 -0.51 0.00 -0.00 0.00 0.00 57.50 57.45 1s1h n TRP 143 Cb 0.09 -2.18 -0.07 0.00 -0.00 0.00 0.00 31.31 29.15 1s1h n TRP 143 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1s1h n GLY 144 N 1.19 0.61 0.00 5.87 0.00 -1.26 -4.61 105.19 107.00 1s1h n GLY 144 Ca 0.13 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.07 1s1h n GLY 144 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s1h n THR 145 N 6.92 0.00 -2.08 2.61 -1.04 -1.26 -5.10 114.28 114.33 1s1h n THR 145 Ca 0.38 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 62.02 1s1h n THR 145 Cb 0.24 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.76 1s1h n THR 145 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1s1h s ASN 146 N 2.00 5.67 -0.00 8.00 4.22 -1.26 -4.97 114.94 128.60 1s1h s ASN 146 Ca 0.00 2.42 -0.05 0.00 -2.14 0.00 0.00 52.86 53.09 1s1h s ASN 146 Cb 0.00 -2.61 -0.04 0.00 1.28 0.00 0.00 41.25 39.88 1s1h s ASN 146 CO 0.00 -1.27 0.24 -0.76 -2.04 0.00 0.00 177.10 173.27 1s1h s LEU 147 N -3.48 4.37 0.00 3.54 1.43 -1.26 -4.66 118.68 118.62 1s1h s LEU 147 Ca 0.70 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1s1h s LEU 147 Cb -0.31 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1s1h s LEU 147 CO 0.37 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.82 1s1h n GLY 148 N 1.08 1.75 3.34 -3.19 0.00 -1.21 -4.96 105.19 102.00 1s1h n GLY 148 Ca -0.11 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 1s1h n GLY 148 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s1h s GLN 149 N 3.43 3.39 -0.85 1.61 -0.21 -1.13 -4.41 119.66 121.49 1s1h s GLN 149 Ca 0.00 -0.65 -0.27 0.00 0.02 0.00 0.00 55.36 54.45 1s1h s GLN 149 Cb 0.00 -2.80 -0.18 0.00 1.00 0.00 0.00 33.01 31.02 1s1h s GLN 149 CO 0.00 0.03 2.56 -0.35 -2.12 0.00 0.00 175.29 175.41 1s1h n PRO 150 N 4.09 0.32 -0.99 2.91 -0.04 -1.26 0.64 135.00 140.66 1s1h n PRO 150 Ca -0.18 -0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.23 1s1h n PRO 150 Cb 0.52 -2.10 -0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1s1h n PRO 150 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s1h n HIS 151 N 11.96 -0.00 -4.39 0.54 8.25 -1.26 -4.85 115.22 125.47 1s1h n HIS 151 Ca 0.57 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.83 1s1h n HIS 151 Cb 0.20 -2.01 -0.09 0.00 1.12 0.00 0.00 29.99 29.21 1s1h n HIS 151 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1s1h s SER 152 N -1.96 1.94 0.11 0.41 0.15 0.21 -0.69 113.70 113.87 1s1h s SER 152 Ca 0.00 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.10 1s1h s SER 152 Cb 0.00 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 1s1h s SER 152 CO 0.00 -0.85 0.26 -0.22 1.20 0.00 0.00 173.24 173.64 1s1h s LEU 153 N -3.44 4.33 0.15 3.45 2.96 -1.26 -3.72 118.68 121.14 1s1h s LEU 153 Ca 0.33 0.29 -0.14 0.00 -0.22 0.00 0.00 54.13 54.39 1s1h s LEU 153 Cb 0.05 -3.00 0.02 0.00 0.50 0.00 0.00 46.19 43.76 1s1h s LEU 153 CO 0.16 0.11 1.66 0.00 -1.32 0.00 0.00 176.35 176.96 1s1h h ALA 154 N 2.69 0.64 -2.90 5.97 0.00 -1.90 -3.42 119.26 120.35 1s1h h ALA 154 Ca -0.46 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1s1h h ALA 154 Cb 1.17 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1s1h h ALA 154 CO 0.73 0.32 -0.02 0.95 0.00 0.00 0.00 179.25 181.23 1s1h s THR 155 N -5.33 0.00 0.08 0.00 -4.23 -1.26 -4.98 115.64 99.92 1s1h s THR 155 Ca -0.13 -1.33 -0.25 0.00 -1.18 0.00 0.00 61.69 58.80 1s1h s THR 155 Cb 0.11 -2.37 -0.06 0.00 1.34 0.00 0.00 72.50 71.52 1s1h s THR 155 CO 0.79 0.00 0.77 -0.75 -0.54 0.00 0.00 174.62 174.89 1s1h s LYS 156 N -3.54 4.51 0.02 3.99 2.20 -1.26 -4.59 119.74 121.07 1s1h s LYS 156 Ca 0.21 1.09 0.02 0.00 -0.36 0.00 0.00 55.97 56.94 1s1h s LYS 156 Cb -0.02 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1s1h s LYS 156 CO 0.11 0.37 -0.07 0.99 -0.36 0.00 0.00 175.35 176.40 1s1h s THR 157 N -0.38 0.50 -0.06 3.43 2.01 -0.88 -4.99 115.64 115.27 1s1h s THR 157 Ca 0.38 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.84 1s1h s THR 157 Cb -0.21 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 1s1h s THR 157 CO 0.24 -0.07 -0.23 0.28 -0.69 0.00 0.00 174.62 174.14 1s1h s THR 158 N -0.63 1.92 -0.02 -0.82 -1.32 -1.26 -1.30 115.64 112.21 1s1h s THR 158 Ca -0.02 -0.98 0.02 0.00 -1.21 0.00 0.00 61.69 59.49 1s1h s THR 158 Cb -0.05 -1.64 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 1s1h s THR 158 CO 0.00 0.53 -0.06 -0.83 -2.21 0.00 0.00 174.62 172.05 1s1h s GLY 159 N -0.00 0.37 -0.15 6.08 0.00 0.08 -4.97 107.32 108.73 1s1h s GLY 159 Ca -0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 44.72 44.42 1s1h s GLY 159 CO 0.05 -0.06 -0.13 1.25 0.00 0.00 0.00 173.10 174.21 1s1h s LYS 160 N 0.13 3.31 -0.16 2.90 2.20 -1.26 -0.02 119.74 126.84 1s1h s LYS 160 Ca -0.01 -0.70 -0.00 0.00 -0.36 0.00 0.00 55.97 54.89 1s1h s LYS 160 Cb -0.06 -2.68 0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1s1h s LYS 160 CO -0.00 0.08 -0.06 0.00 -0.36 0.00 0.00 175.35 175.00 1s1h n GLY 162 N 4.86 1.82 0.00 0.00 0.00 -1.26 -0.91 105.19 109.69 1s1h n GLY 162 Ca -0.12 -0.58 0.14 0.00 0.00 0.00 0.00 46.02 45.45 1s1h n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s1h n SER 163 N 0.82 0.00 -4.75 1.61 7.64 -1.26 -4.84 113.62 112.84 1s1h n SER 163 Ca 0.00 0.44 -0.39 0.00 1.01 0.00 0.00 58.87 59.93 1s1h n SER 163 Cb 0.00 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.67 1s1h n SER 163 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1s1h s VAL 164 N -2.96 4.87 -0.04 0.44 1.01 -0.09 -0.24 120.40 123.39 1s1h s VAL 164 Ca 0.15 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.55 1s1h s VAL 164 Cb 0.19 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1s1h s VAL 164 CO 0.52 0.38 -0.16 -0.89 0.00 0.00 0.00 175.10 174.95 1s1h s THR 165 N -0.05 1.32 0.02 3.92 2.01 0.51 0.91 115.64 124.27 1s1h s THR 165 Ca 0.34 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.76 1s1h s THR 165 Cb -0.19 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 1s1h s THR 165 CO 0.19 0.38 -0.23 0.68 -0.69 0.00 0.00 174.62 174.96 1s1h s VAL 166 N 0.06 1.83 -0.06 3.82 -7.23 0.97 -0.34 120.40 119.45 1s1h s VAL 166 Ca -0.04 -1.14 0.04 0.00 -1.81 0.00 0.00 61.98 59.03 1s1h s VAL 166 Cb -0.11 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.28 1s1h s VAL 166 CO 0.02 0.38 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.89 1s1h s ARG 167 N -0.90 1.89 -0.06 4.82 0.52 0.44 -0.74 118.95 124.92 1s1h s ARG 167 Ca 0.09 -0.58 0.05 0.00 -0.52 0.00 0.00 55.73 54.77 1s1h s ARG 167 Cb -0.09 -1.59 -0.01 0.00 0.52 0.00 0.00 34.95 33.79 1s1h s ARG 167 CO 0.01 0.18 -0.22 -0.51 0.02 0.00 0.00 175.30 174.78 1s1h s LEU 168 N 0.24 2.00 -0.01 2.53 1.43 -0.42 -1.52 118.68 122.93 1s1h s LEU 168 Ca -0.08 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1s1h s LEU 168 Cb -0.13 -1.22 -0.00 0.00 0.03 0.00 0.00 46.19 44.87 1s1h s LEU 168 CO 0.03 0.19 -0.07 -0.51 0.23 0.00 0.00 176.35 176.22 1s1h s ILE 169 N 0.00 0.59 0.55 -0.59 -1.16 0.38 -2.06 121.20 118.90 1s1h s ILE 169 Ca -0.06 -0.31 -0.18 0.00 -0.51 0.00 0.00 60.65 59.59 1s1h s ILE 169 Cb -0.14 -0.50 -0.06 0.00 0.61 0.00 0.00 42.46 42.37 1s1h s ILE 169 CO 0.04 0.17 1.07 -2.84 -2.81 0.00 0.00 174.94 170.57 1s1h s PRO 170 N -0.09 3.48 0.06 3.50 0.02 -1.26 -1.16 135.00 139.54 1s1h s PRO 170 Ca 0.02 1.36 -0.00 0.00 0.02 0.00 0.00 61.00 62.39 1s1h s PRO 170 Cb -0.04 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 1s1h s PRO 170 CO -0.00 -0.70 -0.04 0.00 -0.33 0.00 0.00 177.00 175.93 1s1h s ALA 171 N -2.13 0.64 0.86 -1.55 0.00 -1.25 -4.70 121.76 113.62 1s1h s ALA 171 Ca 0.67 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1s1h s ALA 171 Cb -0.18 0.24 0.10 0.00 0.00 0.00 0.00 23.12 23.28 1s1h s ALA 171 CO 0.29 -0.33 1.12 -2.14 0.00 0.00 0.00 175.76 174.69 1s1h s PRO 172 N -3.88 1.60 0.38 0.00 0.02 -1.26 -4.78 135.00 127.08 1s1h s PRO 172 Ca 0.08 0.46 -0.26 0.00 0.02 0.00 0.00 61.00 61.30 1s1h s PRO 172 Cb 0.07 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.62 1s1h s PRO 172 CO -0.09 -1.91 1.20 1.03 -0.33 0.00 0.00 177.00 176.90 1s1h s ARG 173 N -5.22 4.15 0.00 5.54 0.52 -1.26 -2.65 118.95 120.02 1s1h s ARG 173 Ca 0.62 1.93 0.00 0.00 -0.52 0.00 0.00 55.73 57.77 1s1h s ARG 173 Cb -0.15 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.53 1s1h s ARG 173 CO 0.54 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.00 1s1h n GLY 174 N 0.72 0.25 0.17 -3.53 0.00 -1.26 -4.92 105.19 96.62 1s1h n GLY 174 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1s1h n GLY 174 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s1h h SER 175 N 0.00 0.55 -4.66 1.61 0.02 -1.86 -3.50 113.55 105.71 1s1h h SER 175 Ca 0.00 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1s1h h SER 175 Cb 0.00 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1s1h h SER 175 CO 0.00 0.89 0.00 0.61 -1.14 0.00 0.00 176.83 177.19 1s1h n GLY 176 N 0.13 0.09 3.38 -3.77 0.00 -1.26 -4.77 105.19 98.99 1s1h n GLY 176 Ca -0.05 -1.86 -0.45 0.00 0.00 0.00 0.00 46.02 43.67 1s1h n GLY 176 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s1h s ILE 177 N -1.67 4.92 -0.50 -0.61 2.07 -1.11 -1.59 121.20 122.72 1s1h s ILE 177 Ca 0.00 -0.95 -0.17 0.00 -1.41 0.00 0.00 60.65 58.12 1s1h s ILE 177 Cb 0.00 -4.39 0.07 0.00 0.13 0.00 0.00 42.46 38.27 1s1h s ILE 177 CO 0.00 -0.97 0.51 -0.69 -1.91 0.00 0.00 174.94 171.88 1s1h s VAL 178 N 2.44 5.07 0.14 4.00 1.01 -0.59 -4.93 120.40 127.54 1s1h s VAL 178 Ca 0.11 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 1s1h s VAL 178 Cb -0.24 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 31.97 1s1h s VAL 178 CO 0.07 -0.73 0.88 0.00 0.00 0.00 0.00 175.10 175.33 1s1h s ALA 179 N 2.08 -1.62 0.88 5.51 0.00 -1.26 -1.75 121.76 125.60 1s1h s ALA 179 Ca 0.08 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 1s1h s ALA 179 Cb -0.23 0.65 0.12 0.00 0.00 0.00 0.00 23.12 23.66 1s1h s ALA 179 CO 0.08 -0.95 1.11 -1.12 0.00 0.00 0.00 175.76 174.89 1s1h s SER 180 N -2.83 3.72 0.13 0.00 0.01 -1.26 -4.68 113.70 108.79 1s1h s SER 180 Ca 0.10 1.15 -0.19 0.00 1.31 0.00 0.00 55.95 58.31 1s1h s SER 180 Cb -0.02 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.40 1s1h s SER 180 CO -0.00 -2.44 1.72 -0.65 0.41 0.00 0.00 173.24 172.28 1s1h h PRO 181 N -1.42 0.07 -0.30 12.44 0.11 -2.01 0.21 132.00 141.12 1s1h h PRO 181 Ca -0.50 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1s1h h PRO 181 Cb 1.31 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1s1h h PRO 181 CO 0.60 0.05 0.18 0.00 -0.21 0.00 0.00 178.00 178.62 1s1h h ALA 182 N 1.19 0.38 -0.53 -0.75 0.00 -1.97 0.44 119.26 118.02 1s1h h ALA 182 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1s1h h ALA 182 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1s1h h ALA 182 CO -0.18 -0.13 0.21 0.28 0.00 0.00 0.00 179.25 179.44 1s1h h VAL 183 N 0.38 1.22 -0.12 0.00 2.07 -1.87 -2.93 116.25 114.99 1s1h h VAL 183 Ca 0.11 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1s1h h VAL 183 Cb 0.00 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1s1h h VAL 183 CO -0.02 0.26 0.08 0.50 0.02 0.00 0.00 177.57 178.40 1s1h h LYS 184 N 0.72 0.16 -0.90 1.57 3.64 0.73 -1.14 116.57 121.36 1s1h h LYS 184 Ca 0.18 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1s1h h LYS 184 Cb 0.19 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1s1h h LYS 184 CO -0.01 0.12 0.59 1.57 -2.27 0.00 0.00 179.45 179.45 1s1h h LYS 185 N 0.15 1.07 -0.11 1.90 2.10 -0.02 0.21 116.57 121.87 1s1h h LYS 185 Ca 0.04 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.60 1s1h h LYS 185 Cb 0.00 -0.24 -0.00 0.00 -0.90 0.00 0.00 32.23 31.09 1s1h h LYS 185 CO -0.01 0.71 -0.06 1.25 -2.00 0.00 0.00 179.45 179.33 1s1h h LEU 186 N 1.10 0.24 -1.31 7.07 5.85 -1.29 -3.00 115.31 123.97 1s1h h LEU 186 Ca 0.37 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1s1h h LEU 186 Cb 0.07 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1s1h h LEU 186 CO -0.12 0.62 0.05 -0.07 -0.34 0.00 0.00 178.44 178.58 1s1h h LEU 187 N -0.14 0.48 -0.09 2.25 4.07 0.27 0.26 115.31 122.41 1s1h h LEU 187 Ca 0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1s1h h LEU 187 Cb 0.53 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 1s1h h LEU 187 CO 0.02 0.51 -0.04 0.06 -1.08 0.00 0.00 178.44 177.91 1s1h h GLN 188 N 0.51 0.18 0.00 1.13 3.07 -0.71 0.19 115.11 119.48 1s1h h GLN 188 Ca 0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 58.65 58.74 1s1h h GLN 188 Cb 0.25 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 1s1h h GLN 188 CO 0.00 0.54 -0.19 -0.07 0.09 0.00 0.00 178.83 179.20 1s1h h LEU 189 N -0.18 0.00 -2.04 0.06 4.07 -1.34 0.34 115.31 116.22 1s1h h LEU 189 Ca 0.02 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1s1h h LEU 189 Cb 0.48 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 1s1h h LEU 189 CO 0.01 0.19 0.04 0.00 -1.08 0.00 0.00 178.44 177.60 1s1h h ALA 190 N 1.81 2.01 0.00 1.53 0.00 -0.08 -3.45 119.26 121.08 1s1h h ALA 190 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s1h h ALA 190 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1s1h h ALA 190 CO 0.02 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1s1h n GLY 191 N -1.53 0.51 3.70 0.00 0.00 0.12 -4.86 105.19 103.12 1s1h n GLY 191 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1s1h n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s1h s VAL 192 N -2.00 4.30 -0.11 1.61 1.01 -0.00 -4.75 120.40 120.45 1s1h s VAL 192 Ca 0.00 1.64 0.12 0.00 0.00 0.00 0.00 61.98 63.74 1s1h s VAL 192 Cb 0.00 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 32.09 1s1h s VAL 192 CO 0.00 0.06 0.39 -0.62 0.00 0.00 0.00 175.10 174.93 1s1h n GLU 193 N 4.59 0.66 -3.74 2.72 -0.58 0.14 -4.20 120.64 120.24 1s1h n GLU 193 Ca 0.09 0.19 -0.24 0.00 -0.42 0.00 0.00 57.16 56.78 1s1h n GLU 193 Cb 0.47 -1.68 -0.17 0.00 -0.57 0.00 0.00 31.44 29.48 1s1h n GLU 193 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1s1h s ASP 194 N -6.01 1.87 0.14 1.62 1.01 -0.19 -2.73 116.67 112.38 1s1h s ASP 194 Ca -0.10 -0.26 -0.20 0.00 0.71 0.00 0.00 52.55 52.70 1s1h s ASP 194 Cb 0.07 -0.42 0.06 0.00 1.01 0.00 0.00 42.92 43.63 1s1h s ASP 194 CO 0.81 -0.24 0.52 0.68 0.21 0.00 0.00 175.17 177.15 1s1h s VAL 195 N 1.98 0.03 -0.09 -1.27 -7.23 -0.62 -3.83 120.40 109.37 1s1h s VAL 195 Ca 0.04 -0.23 0.04 0.00 -1.81 0.00 0.00 61.98 60.01 1s1h s VAL 195 Cb -0.13 -1.06 -0.01 0.00 0.56 0.00 0.00 36.38 35.73 1s1h s VAL 195 CO -0.06 -0.13 -0.21 -0.47 -0.31 0.00 0.00 175.10 173.92 1s1h s TYR 196 N -3.71 2.59 0.38 2.82 6.14 -0.31 -1.55 117.35 123.70 1s1h s TYR 196 Ca 0.01 -0.82 0.04 0.00 0.64 0.00 0.00 57.07 56.94 1s1h s TYR 196 Cb 0.00 -1.70 -0.03 0.00 0.42 0.00 0.00 41.96 40.65 1s1h s TYR 196 CO -0.12 -0.28 0.13 0.95 0.64 0.00 0.00 175.55 176.87 1s1h s THR 197 N 0.14 0.59 -0.28 4.34 -4.23 -0.72 -0.47 115.64 115.01 1s1h s THR 197 Ca -0.11 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.22 1s1h s THR 197 Cb -0.16 -2.44 0.09 0.00 1.34 0.00 0.00 72.50 71.33 1s1h s THR 197 CO 0.06 0.00 0.73 -1.58 -0.54 0.00 0.00 174.62 173.29 1s1h s GLN 198 N -3.74 0.70 -0.16 3.99 2.00 -0.57 -4.86 119.66 117.01 1s1h s GLN 198 Ca 0.28 1.12 -0.05 0.00 -2.00 0.00 0.00 55.36 54.72 1s1h s GLN 198 Cb 0.04 0.18 -0.03 0.00 0.80 0.00 0.00 33.01 34.00 1s1h s GLN 198 CO 0.16 -0.13 -0.01 -1.12 -0.50 0.00 0.00 175.29 173.69 1s1h s SER 199 N 1.37 5.03 0.16 6.67 0.01 -1.26 -0.42 113.70 125.26 1s1h s SER 199 Ca -0.08 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.13 1s1h s SER 199 Cb -0.05 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.30 1s1h s SER 199 CO -0.16 0.17 -0.02 0.54 0.41 0.00 0.00 173.24 174.19 1s1h s ASN 200 N 0.36 1.26 0.07 2.44 4.22 0.54 -5.01 114.94 118.83 1s1h s ASN 200 Ca -0.02 -1.13 0.00 0.00 -2.14 0.00 0.00 52.86 49.57 1s1h s ASN 200 Cb -0.14 0.10 0.00 0.00 1.28 0.00 0.00 41.25 42.49 1s1h s ASN 200 CO 0.02 -0.53 0.00 0.61 -2.04 0.00 0.00 177.10 175.16 1s1h n GLY 201 N -0.21 -0.51 3.75 0.45 0.00 -1.26 -0.36 105.19 107.04 1s1h n GLY 201 Ca -0.08 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1s1h n GLY 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1h s LYS 202 N 0.00 4.23 -0.46 1.61 2.20 0.67 -4.84 119.74 123.14 1s1h s LYS 202 Ca 0.00 2.38 0.04 0.00 -0.36 0.00 0.00 55.97 58.03 1s1h s LYS 202 Cb 0.00 -3.07 0.44 0.00 -1.51 0.00 0.00 37.83 33.69 1s1h s LYS 202 CO 0.00 -0.45 1.47 -2.37 -0.36 0.00 0.00 175.35 173.64 1s1h n THR 203 N 1.93 2.89 -2.35 3.43 5.66 -1.26 -3.86 114.28 120.71 1s1h n THR 203 Ca 0.06 -4.02 -0.42 0.00 -3.05 0.00 0.00 64.05 56.62 1s1h n THR 203 Cb 0.40 -1.18 -0.03 0.00 -1.55 0.00 0.00 70.33 67.98 1s1h n THR 203 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1s1h s ARG 204 N -3.69 4.28 0.09 1.09 3.52 -1.26 -4.82 118.95 118.16 1s1h s ARG 204 Ca 0.54 1.78 -0.22 0.00 -0.13 0.00 0.00 55.73 57.70 1s1h s ARG 204 Cb 0.44 -3.67 -0.12 0.00 -1.56 0.00 0.00 34.95 30.04 1s1h s ARG 204 CO -0.05 -0.60 1.72 1.79 -0.81 0.00 0.00 175.30 177.35 1s1h h THR 205 N 5.20 1.05 0.11 4.11 1.35 -1.96 -0.57 112.91 122.20 1s1h h THR 205 Ca -0.33 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 1s1h h THR 205 Cb 1.15 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1s1h h THR 205 CO 0.92 0.04 -0.05 -0.07 -0.25 0.00 0.00 175.52 176.11 1s1h h LEU 206 N 0.07 -0.13 -0.45 3.87 -0.00 -1.97 0.12 115.31 116.83 1s1h h LEU 206 Ca 0.03 -0.38 0.09 0.00 -0.00 0.00 0.00 57.88 57.62 1s1h h LEU 206 Cb 0.03 0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 40.63 1s1h h LEU 206 CO -0.01 0.35 -0.13 -0.08 -0.00 0.00 0.00 178.44 178.58 1s1h h GLU 207 N -0.65 -0.02 0.00 1.13 4.81 -1.92 -3.37 114.58 114.56 1s1h h GLU 207 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1s1h h GLU 207 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1s1h h GLU 207 CO 0.03 -0.01 0.00 0.09 -0.73 0.00 0.00 179.01 178.38 1s1h n ASN 208 N -5.35 0.00 -0.14 1.04 3.02 -1.06 -4.76 115.26 108.01 1s1h n ASN 208 Ca 0.03 -1.00 -0.11 0.00 -0.03 0.00 0.00 54.58 53.47 1s1h n ASN 208 Cb 0.25 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1s1h n ASN 208 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1s1h h THR 209 N 1.10 1.28 -0.13 3.41 1.35 -0.51 0.77 112.91 120.18 1s1h h THR 209 Ca 0.00 -1.27 -0.02 0.00 -0.55 0.00 0.00 66.41 64.57 1s1h h THR 209 Cb 0.52 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1s1h h THR 209 CO 0.00 0.43 0.00 0.17 -0.25 0.00 0.00 175.52 175.87 1s1h h LEU 210 N 0.66 0.22 -0.99 3.87 8.10 -0.97 0.90 115.31 127.10 1s1h h LEU 210 Ca 0.10 -0.31 -0.01 0.00 0.11 0.00 0.00 57.88 57.77 1s1h h LEU 210 Cb 0.69 -0.06 -0.04 0.00 -0.44 0.00 0.00 40.66 40.81 1s1h h LEU 210 CO 0.05 0.48 0.54 0.50 -4.11 0.00 0.00 178.44 175.90 1s1h h LYS 211 N -0.04 1.24 -0.75 0.17 1.63 -1.72 0.88 116.57 117.98 1s1h h LYS 211 Ca 0.04 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1s1h h LYS 211 Cb 0.36 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1s1h h LYS 211 CO 0.01 0.87 0.35 0.00 -3.45 0.00 0.00 179.45 177.22 1s1h h ALA 212 N 1.34 0.97 -0.25 5.00 0.00 0.85 0.07 119.26 127.24 1s1h h ALA 212 Ca 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1s1h h ALA 212 Cb -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1s1h h ALA 212 CO -0.06 0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.82 1s1h h ALA 213 N 1.17 0.32 -0.49 0.00 0.00 0.15 -0.66 119.26 119.76 1s1h h ALA 213 Ca 0.26 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1s1h h ALA 213 Cb 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1s1h h ALA 213 CO -0.03 -0.06 0.24 0.35 0.00 0.00 0.00 179.25 179.75 1s1h h PHE 214 N 0.24 0.44 -0.59 0.00 3.57 -0.62 0.23 116.94 120.20 1s1h h PHE 214 Ca 0.08 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1s1h h PHE 214 Cb 0.22 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1s1h h PHE 214 CO 0.00 0.21 0.13 -0.39 -2.23 0.00 0.00 178.31 176.03 1s1h h VAL 215 N 0.47 1.24 -0.76 1.41 -1.51 -0.77 -1.28 116.25 115.06 1s1h h VAL 215 Ca 0.22 -0.89 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 1s1h h VAL 215 Cb 0.14 0.65 -0.04 0.00 -2.13 0.00 0.00 31.29 29.91 1s1h h VAL 215 CO -0.16 0.33 0.47 0.00 -1.23 0.00 0.00 177.57 176.98 1s1h h ALA 216 N 1.25 0.96 -0.52 5.19 0.00 0.94 -1.15 119.26 125.93 1s1h h ALA 216 Ca 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1s1h h ALA 216 Cb 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1s1h h ALA 216 CO 0.00 0.41 0.09 0.97 0.00 0.00 0.00 179.25 180.72 1s1h h ILE 217 N 1.03 1.25 -0.72 0.00 2.10 -0.13 -2.45 117.51 118.59 1s1h h ILE 217 Ca 0.27 -0.93 -0.00 0.00 1.08 0.00 0.00 64.86 65.28 1s1h h ILE 217 Cb -0.07 0.85 -0.04 0.00 -1.09 0.00 0.00 36.82 36.48 1s1h h ILE 217 CO -0.05 0.34 0.43 1.23 -1.08 0.00 0.00 178.15 179.01 1s1h h GLY 218 N 0.74 1.04 1.84 8.18 0.00 -0.57 -1.92 103.07 112.38 1s1h h GLY 218 Ca 0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1s1h h GLY 218 CO 0.01 0.42 -0.11 -0.57 0.00 0.00 0.00 176.54 176.29 1s1h h ASN 219 N 0.99 0.19 -3.50 0.19 -0.73 -0.76 -3.44 115.58 108.52 1s1h h ASN 219 Ca 0.26 -0.03 -0.56 0.00 1.87 0.00 0.00 56.30 57.84 1s1h h ASN 219 Cb -0.04 -0.05 0.11 0.00 0.27 0.00 0.00 38.32 38.61 1s1h h ASN 219 CO -0.05 0.32 0.61 0.35 -0.37 0.00 0.00 177.43 178.29 1s1h n THR 220 N -4.31 1.95 -4.30 -3.57 -2.24 -0.72 -4.99 114.28 96.10 1s1h n THR 220 Ca -0.01 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.09 1s1h n THR 220 Cb 0.24 -1.71 -0.11 0.00 -2.10 0.00 0.00 70.33 66.65 1s1h n THR 220 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1s1h s TYR 221 N -1.05 1.60 0.00 4.78 2.02 -1.26 -4.92 117.35 118.52 1s1h s TYR 221 Ca 0.55 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 1s1h s TYR 221 Cb -0.54 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.23 1s1h s TYR 221 CO 0.62 0.26 0.00 0.41 -1.57 0.00 0.00 175.55 175.27