#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htn n TYR 45 N 0.00 -2.26 -4.43 1.20 0.18 -1.26 -4.95 117.16 105.64 3htn n TYR 45 Ca 0.00 0.22 -0.24 0.00 1.88 0.00 0.00 57.90 59.76 3htn n TYR 45 Cb 0.00 -1.58 -0.09 0.00 -0.38 0.00 0.00 39.34 37.29 3htn n TYR 45 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 3htn s SER 46 N -1.58 3.84 0.19 9.48 0.01 -0.19 -4.92 113.70 120.53 3htn s SER 46 Ca 0.49 -0.95 -0.18 0.00 1.31 0.00 0.00 55.95 56.63 3htn s SER 46 Cb -0.13 -0.44 0.03 0.00 0.21 0.00 0.00 66.02 65.70 3htn s SER 46 CO 0.70 0.01 0.53 -0.72 0.41 0.00 0.00 173.24 174.17 3htn s TYR 47 N -2.47 -0.14 -0.06 2.43 1.13 -1.26 -1.06 117.35 115.92 3htn s TYR 47 Ca 0.31 -0.20 -0.00 0.00 -1.41 0.00 0.00 57.07 55.77 3htn s TYR 47 Cb -0.05 0.40 0.02 0.00 -1.10 0.00 0.00 41.96 41.24 3htn s TYR 47 CO 0.16 -0.91 -0.03 0.21 -2.51 0.00 0.00 175.55 172.47 3htn s LYS 48 N -3.87 0.78 0.11 -3.49 2.20 -0.15 -4.97 119.74 110.36 3htn s LYS 48 Ca 0.09 -0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 3htn s LYS 48 Cb -0.01 -0.95 -0.06 0.00 -1.51 0.00 0.00 37.83 35.30 3htn s LYS 48 CO -0.03 -0.19 1.02 0.21 -0.36 0.00 0.00 175.35 175.99 3htn s LYS 49 N 1.43 4.64 -0.31 4.03 2.20 -1.26 -0.91 119.74 129.55 3htn s LYS 49 Ca -0.03 1.54 -0.02 0.00 -0.36 0.00 0.00 55.97 57.10 3htn s LYS 49 Cb -0.13 -3.36 0.12 0.00 -1.51 0.00 0.00 37.83 32.95 3htn s LYS 49 CO -0.03 0.12 0.17 0.42 -0.36 0.00 0.00 175.35 175.67 3htn s ILE 50 N 0.12 -0.03 0.00 5.43 1.01 0.38 -4.97 121.20 123.15 3htn s ILE 50 Ca 0.49 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3htn s ILE 50 Cb -0.25 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.20 3htn s ILE 50 CO 0.31 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 175.06 3htn n GLY 51 N 4.80 3.90 0.37 6.18 0.00 -1.26 -1.69 105.19 117.49 3htn n GLY 51 Ca 0.01 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3htn n GLY 51 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3htn n ASN 52 N 7.55 1.11 -4.47 1.61 6.94 -1.26 -4.87 115.26 121.88 3htn n ASN 52 Ca 0.00 -1.66 -0.23 0.00 -0.02 0.00 0.00 54.58 52.66 3htn n ASN 52 Cb 0.00 -0.08 -0.10 0.00 -2.36 0.00 0.00 39.78 37.24 3htn n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3htn s LYS 53 N -1.84 1.65 -0.03 -3.83 1.02 -0.68 -0.81 119.74 115.21 3htn s LYS 53 Ca 0.29 -1.80 0.03 0.00 0.02 0.00 0.00 55.97 54.51 3htn s LYS 53 Cb 0.15 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.89 3htn s LYS 53 CO 0.23 0.21 -0.11 0.71 -0.92 0.00 0.00 175.35 175.46 3htn s TYR 54 N -2.68 1.18 -0.29 3.18 2.02 0.75 -0.47 117.35 121.04 3htn s TYR 54 Ca 0.30 -0.32 -0.16 0.00 -0.37 0.00 0.00 57.07 56.52 3htn s TYR 54 Cb -0.01 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 3htn s TYR 54 CO 0.14 -0.13 0.43 0.42 -1.57 0.00 0.00 175.55 174.84 3htn s ILE 55 N 0.19 5.12 -0.18 2.71 -1.09 -0.09 -0.71 121.20 127.16 3htn s ILE 55 Ca -0.04 0.52 -0.02 0.00 -2.23 0.00 0.00 60.65 58.87 3htn s ILE 55 Cb -0.10 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 3htn s ILE 55 CO 0.01 0.04 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.98 3htn s VAL 56 N 2.18 3.20 -0.38 2.92 1.01 0.95 -0.97 120.40 129.31 3htn s VAL 56 Ca 0.16 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 3htn s VAL 56 Cb -0.16 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.87 3htn s VAL 56 CO 0.11 0.47 0.19 -0.55 0.00 0.00 0.00 175.10 175.32 3htn s SER 57 N 0.98 5.47 0.33 3.32 0.15 -0.22 -0.85 113.70 122.88 3htn s SER 57 Ca -0.01 -1.37 -0.26 0.00 0.70 0.00 0.00 55.95 55.01 3htn s SER 57 Cb -0.15 -1.92 -0.10 0.00 -1.71 0.00 0.00 66.02 62.14 3htn s SER 57 CO -0.00 -0.44 0.98 -0.63 1.20 0.00 0.00 173.24 174.35 3htn s ILE 58 N 1.40 4.02 0.57 6.45 1.01 -0.35 -1.02 121.20 133.27 3htn s ILE 58 Ca 0.01 1.70 -0.20 0.00 0.00 0.00 0.00 60.65 62.17 3htn s ILE 58 Cb -0.21 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 3htn s ILE 58 CO 0.02 0.16 1.22 0.20 0.00 0.00 0.00 174.94 176.54 3htn s ASN 59 N -1.50 5.32 0.73 3.58 0.01 -1.26 -4.37 114.94 117.44 3htn s ASN 59 Ca 0.51 2.41 -0.14 0.00 -0.71 0.00 0.00 52.86 54.93 3htn s ASN 59 Cb -0.21 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 38.88 3htn s ASN 59 CO 0.27 -1.50 1.17 0.21 -1.51 0.00 0.00 177.10 175.73 3htn s ASN 60 N -1.50 4.38 -1.84 -1.22 2.47 -1.26 -3.19 114.94 112.77 3htn s ASN 60 Ca 0.75 2.21 0.00 0.00 0.42 0.00 0.00 52.86 56.24 3htn s ASN 60 Cb -0.31 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 36.92 3htn s ASN 60 CO 0.34 -2.13 0.00 1.41 -3.72 0.00 0.00 177.10 173.00 3htn n HIS 61 N -2.79 -0.52 -4.64 0.43 8.25 -0.60 -4.98 115.22 110.36 3htn n HIS 61 Ca 0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.27 3htn n HIS 61 Cb 0.51 -3.56 -0.12 0.00 1.12 0.00 0.00 29.99 27.94 3htn n HIS 61 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3htn s THR 62 N -2.86 2.96 -0.29 1.59 2.01 -1.19 -4.81 115.64 113.04 3htn s THR 62 Ca 0.00 -1.08 -0.29 0.00 0.31 0.00 0.00 61.69 60.63 3htn s THR 62 Cb 0.00 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.27 3htn s THR 62 CO 0.00 0.36 1.25 -0.70 -0.69 0.00 0.00 174.62 174.84 3htn s GLU 63 N -1.39 3.98 0.30 4.92 -6.30 -1.26 -1.26 118.70 117.70 3htn s GLU 63 Ca 0.15 1.25 0.05 0.00 -2.50 0.00 0.00 54.97 53.93 3htn s GLU 63 Cb -0.11 -3.83 0.46 0.00 0.00 0.00 0.00 34.13 30.65 3htn s GLU 63 CO 0.05 -1.03 1.72 -0.84 0.02 0.00 0.00 175.26 175.19 3htn h ILE 64 N 5.86 1.29 -0.24 -3.70 3.07 -1.24 -2.01 117.51 120.54 3htn h ILE 64 Ca -0.25 -1.40 -0.06 0.00 1.55 0.00 0.00 64.86 64.70 3htn h ILE 64 Cb 1.09 1.56 -0.01 0.00 -0.27 0.00 0.00 36.82 39.19 3htn h ILE 64 CO 1.03 0.43 -0.10 0.58 -1.05 0.00 0.00 178.15 179.03 3htn h VAL 65 N 0.27 1.30 -0.50 0.16 2.07 -1.88 0.12 116.25 117.78 3htn h VAL 65 Ca 0.03 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.45 3htn h VAL 65 Cb 0.75 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 3htn h VAL 65 CO 0.06 0.36 0.23 0.50 0.02 0.00 0.00 177.57 178.73 3htn h LYS 66 N 0.21 0.43 -0.34 1.57 3.64 -1.89 -0.55 116.57 119.64 3htn h LYS 66 Ca 0.05 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3htn h LYS 66 Cb 0.59 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3htn h LYS 66 CO 0.03 0.29 0.12 0.00 -2.27 0.00 0.00 179.45 177.62 3htn h ALA 67 N 1.29 0.45 -0.60 5.00 0.00 -1.15 -1.07 119.26 123.17 3htn h ALA 67 Ca 0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3htn h ALA 67 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3htn h ALA 67 CO -0.18 0.07 0.16 -0.07 0.00 0.00 0.00 179.25 179.23 3htn h LEU 68 N 0.40 0.86 -0.69 0.00 3.38 -0.47 -0.03 115.31 118.76 3htn h LEU 68 Ca 0.11 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3htn h LEU 68 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3htn h LEU 68 CO -0.01 0.83 -0.01 -1.13 0.09 0.00 0.00 178.44 178.21 3htn h ASN 69 N 0.89 0.98 -0.59 -0.43 -1.24 -0.90 -1.71 115.58 112.59 3htn h ASN 69 Ca 0.20 -0.28 -0.10 0.00 0.71 0.00 0.00 56.30 56.83 3htn h ASN 69 Cb 0.30 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 3htn h ASN 69 CO -0.00 1.04 -0.01 0.00 -1.29 0.00 0.00 177.43 177.17 3htn h ALA 70 N 1.05 0.85 0.09 1.57 0.00 -0.82 -1.71 119.26 120.29 3htn h ALA 70 Ca 0.16 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3htn h ALA 70 Cb 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3htn h ALA 70 CO 0.03 0.67 -0.04 0.35 0.00 0.00 0.00 179.25 180.25 3htn h PHE 71 N 0.96 -0.12 -0.86 0.00 3.57 -0.75 0.84 116.94 120.59 3htn h PHE 71 Ca 0.17 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3htn h PHE 71 Cb 0.56 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 3htn h PHE 71 CO 0.04 -0.04 0.45 0.00 -2.23 0.00 0.00 178.31 176.53 3htn h LYS 73 N 1.21 0.13 -0.85 0.00 3.64 -1.15 -0.21 116.57 119.34 3htn h LYS 73 Ca 0.30 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.74 3htn h LYS 73 Cb 0.06 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 3htn h LYS 73 CO -0.04 0.25 0.50 1.49 -2.27 0.00 0.00 179.45 179.37 3htn h GLU 74 N -0.02 0.84 -0.10 1.90 4.81 -0.42 -2.13 114.58 119.45 3htn h GLU 74 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3htn h GLU 74 Cb 0.17 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3htn h GLU 74 CO -0.00 0.55 0.00 1.63 -0.73 0.00 0.00 179.01 180.46 3htn n LYS 75 N -4.70 1.75 -3.10 1.92 4.76 -0.48 -4.95 118.16 113.37 3htn n LYS 75 Ca 0.14 -1.11 -0.21 0.00 -2.87 0.00 0.00 58.31 54.25 3htn n LYS 75 Cb 0.25 -1.44 0.04 0.00 -1.84 0.00 0.00 35.03 32.05 3htn n LYS 75 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3htn n GLY 76 N 1.17 -0.45 3.66 0.72 0.00 -0.28 -4.93 105.19 105.08 3htn n GLY 76 Ca 0.17 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 3htn n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3htn s ILE 77 N -3.18 4.63 -0.02 -0.61 1.01 -0.25 -4.90 121.20 117.87 3htn s ILE 77 Ca 0.35 1.97 -0.03 0.00 0.00 0.00 0.00 60.65 62.94 3htn s ILE 77 Cb -0.15 -4.27 -0.27 0.00 0.01 0.00 0.00 42.46 37.77 3htn s ILE 77 CO 0.43 -0.17 0.75 -0.07 0.00 0.00 0.00 174.94 175.88 3htn h LEU 78 N 9.47 0.38 -7.33 2.97 3.38 -1.89 -3.46 115.31 118.83 3htn h LEU 78 Ca -0.20 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.16 3htn h LEU 78 Cb 1.07 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 3htn h LEU 78 CO 0.98 1.50 0.10 -0.94 0.09 0.00 0.00 178.44 180.17 3htn s SER 79 N -6.93 -0.39 0.00 -0.43 1.04 -1.18 -3.54 113.70 102.26 3htn s SER 79 Ca -0.11 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3htn s SER 79 Cb 0.07 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3htn s SER 79 CO 0.84 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.68 3htn n GLY 80 N -0.34 -0.89 3.16 7.32 0.00 -0.97 -1.28 105.19 112.18 3htn n GLY 80 Ca -0.14 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 3htn n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3htn s SER 81 N -4.00 1.26 -0.02 1.61 1.04 -0.78 -0.94 113.70 111.87 3htn s SER 81 Ca 0.00 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.56 3htn s SER 81 Cb 0.00 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.18 3htn s SER 81 CO 0.00 -0.35 -0.04 -0.63 0.98 0.00 0.00 173.24 173.20 3htn s ILE 82 N -2.91 0.37 -0.12 -1.02 1.01 -0.56 -1.07 121.20 116.91 3htn s ILE 82 Ca 0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 3htn s ILE 82 Cb 0.00 -0.37 0.03 0.00 0.01 0.00 0.00 42.46 42.13 3htn s ILE 82 CO -0.02 0.15 0.32 0.20 0.00 0.00 0.00 174.94 175.59 3htn s ASN 83 N 0.41 -0.34 0.00 3.58 0.01 -0.73 -1.20 114.94 116.66 3htn s ASN 83 Ca -0.04 0.66 0.00 0.00 -0.71 0.00 0.00 52.86 52.76 3htn s ASN 83 Cb -0.08 0.65 0.00 0.00 0.41 0.00 0.00 41.25 42.24 3htn s ASN 83 CO -0.00 -0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.08 3htn n GLY 84 N 3.05 -1.05 3.29 0.66 0.00 -0.59 -0.17 105.19 110.38 3htn n GLY 84 Ca -0.14 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 3htn n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3htn s ILE 85 N -3.00 0.05 -4.38 -0.61 -4.36 -0.68 -1.13 121.20 107.09 3htn s ILE 85 Ca 0.00 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 3htn s ILE 85 Cb 0.00 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.60 3htn s ILE 85 CO 0.00 -0.23 0.00 0.61 0.24 0.00 0.00 174.94 175.56 3htn n GLY 86 N -0.22 -1.18 3.05 6.27 0.00 -1.22 -0.71 105.19 111.18 3htn n GLY 86 Ca -0.04 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 3htn n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htn s ALA 87 N -1.00 0.63 0.04 4.61 0.00 -0.53 0.02 121.76 125.54 3htn s ALA 87 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 3htn s ALA 87 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 3htn s ALA 87 CO 0.00 0.04 -0.03 0.96 0.00 0.00 0.00 175.76 176.73 3htn s ILE 88 N -1.05 0.22 -0.65 0.00 -4.36 -1.26 -1.25 121.20 112.85 3htn s ILE 88 Ca -0.06 -1.60 0.08 0.00 -0.26 0.00 0.00 60.65 58.81 3htn s ILE 88 Cb -0.08 -1.22 -0.02 0.00 1.25 0.00 0.00 42.46 42.39 3htn s ILE 88 CO 0.00 -0.87 0.51 0.61 0.24 0.00 0.00 174.94 175.43 3htn n GLY 89 N 0.46 -0.09 3.28 6.27 0.00 0.05 -4.32 105.19 110.84 3htn n GLY 89 Ca -0.16 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 3htn n GLY 89 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3htn s GLU 90 N -1.27 0.59 -0.08 1.61 2.12 -1.23 -2.57 118.70 117.86 3htn s GLU 90 Ca 0.06 0.19 -0.06 0.00 0.36 0.00 0.00 54.97 55.52 3htn s GLU 90 Cb 0.06 0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.75 3htn s GLU 90 CO 0.22 -0.13 0.20 -1.17 -0.54 0.00 0.00 175.26 173.84 3htn s LEU 91 N -0.59 1.02 -0.13 2.70 2.96 -0.56 -1.77 118.68 122.32 3htn s LEU 91 Ca -0.07 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 3htn s LEU 91 Cb -0.04 0.65 0.01 0.00 0.50 0.00 0.00 46.19 47.32 3htn s LEU 91 CO 0.03 -0.10 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.90 3htn s THR 92 N 0.46 1.70 0.14 3.68 2.01 0.11 -0.16 115.64 123.58 3htn s THR 92 Ca -0.03 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.30 3htn s THR 92 Cb -0.04 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 3htn s THR 92 CO -0.02 0.48 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.53 3htn s LEU 93 N 1.02 3.00 -0.08 4.42 1.43 -0.38 -0.86 118.68 127.22 3htn s LEU 93 Ca -0.05 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3htn s LEU 93 Cb -0.15 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3htn s LEU 93 CO -0.03 0.14 -0.17 -0.60 0.23 0.00 0.00 176.35 175.91 3htn s ARG 94 N -2.54 2.87 -0.20 1.70 3.52 -0.37 -0.54 118.95 123.39 3htn s ARG 94 Ca 0.23 -0.76 -0.00 0.00 -0.13 0.00 0.00 55.73 55.07 3htn s ARG 94 Cb -0.10 -2.41 0.02 0.00 -1.56 0.00 0.00 34.95 30.90 3htn s ARG 94 CO 0.14 0.39 -0.14 0.12 -0.81 0.00 0.00 175.30 175.01 3htn s PHE 95 N -0.13 2.89 -0.20 5.12 5.36 0.41 -3.92 117.98 127.51 3htn s PHE 95 Ca -0.02 -1.50 -0.10 0.00 -0.96 0.00 0.00 56.93 54.34 3htn s PHE 95 Cb -0.14 -1.99 -0.05 0.00 -0.34 0.00 0.00 43.02 40.51 3htn s PHE 95 CO 0.04 -0.74 0.14 0.12 -1.46 0.00 0.00 175.22 173.32 3htn s PHE 96 N 1.33 3.41 -0.45 10.12 5.36 -1.26 -1.11 117.98 135.38 3htn s PHE 96 Ca 0.04 0.34 -0.17 0.00 -0.96 0.00 0.00 56.93 56.18 3htn s PHE 96 Cb -0.14 -2.18 0.05 0.00 -0.34 0.00 0.00 43.02 40.41 3htn s PHE 96 CO -0.09 0.27 0.44 1.21 -1.46 0.00 0.00 175.22 175.60 3htn s ASN 97 N 0.41 6.17 0.51 6.13 3.84 0.10 -4.95 114.94 127.16 3htn s ASN 97 Ca 0.08 -0.97 0.28 0.00 0.21 0.00 0.00 52.86 52.46 3htn s ASN 97 Cb -0.11 -2.22 1.37 0.00 -0.55 0.00 0.00 41.25 39.74 3htn s ASN 97 CO -0.01 -0.65 2.03 1.55 -2.79 0.00 0.00 177.10 177.22 3htn h PRO 98 N 8.78 0.00 -0.02 0.43 0.13 -1.94 0.11 132.00 139.50 3htn h PRO 98 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 3htn h PRO 98 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3htn h PRO 98 CO 0.85 0.13 -0.15 -0.22 -0.23 0.00 0.00 178.00 178.38 3htn h LYS 99 N 0.00 0.13 -0.00 0.86 1.63 -1.95 -3.36 116.57 113.88 3htn h LYS 99 Ca -0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3htn h LYS 99 Cb 0.42 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3htn h LYS 99 CO 0.02 0.82 -0.90 0.25 -3.45 0.00 0.00 179.45 176.18 3htn n THR 100 N -4.60 0.00 -0.84 1.00 -2.24 -1.20 -4.96 114.28 101.44 3htn n THR 100 Ca -0.09 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3htn n THR 100 Cb 0.43 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3htn n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3htn n LYS 101 N -1.35 -0.56 -1.59 -0.78 4.76 0.39 -5.00 118.16 114.03 3htn n LYS 101 Ca 0.04 0.14 -0.34 0.00 -2.87 0.00 0.00 58.31 55.28 3htn n LYS 101 Cb 0.32 -3.92 0.07 0.00 -1.84 0.00 0.00 35.03 29.67 3htn n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3htn s ALA 102 N -1.84 2.27 0.01 7.82 0.00 -1.24 -4.78 121.76 124.00 3htn s ALA 102 Ca 0.00 0.77 -0.05 0.00 0.00 0.00 0.00 51.96 52.68 3htn s ALA 102 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3htn s ALA 102 CO 0.00 -1.62 0.08 1.52 0.00 0.00 0.00 175.76 175.75 3htn s TYR 103 N -2.08 0.14 0.02 0.00 1.13 -1.26 -0.72 117.35 114.58 3htn s TYR 103 Ca 0.72 -0.32 0.03 0.00 -1.41 0.00 0.00 57.07 56.09 3htn s TYR 103 Cb -0.26 -0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.48 3htn s TYR 103 CO 0.43 -0.28 -0.11 0.16 -2.51 0.00 0.00 175.55 173.25 3htn s ASP 104 N -1.57 1.24 -0.26 -0.18 1.47 -0.26 -4.98 116.67 112.14 3htn s ASP 104 Ca -0.13 -0.36 -0.02 0.00 1.18 0.00 0.00 52.55 53.22 3htn s ASP 104 Cb -0.07 -0.08 0.02 0.00 -0.34 0.00 0.00 42.92 42.46 3htn s ASP 104 CO -0.00 0.01 -0.04 -1.81 0.68 0.00 0.00 175.17 174.01 3htn s ASP 105 N -0.88 4.45 -0.18 2.11 1.01 -1.26 -0.45 116.67 121.48 3htn s ASP 105 Ca -0.00 -0.87 -0.04 0.00 0.71 0.00 0.00 52.55 52.35 3htn s ASP 105 Cb -0.07 -1.69 -0.03 0.00 1.01 0.00 0.00 42.92 42.14 3htn s ASP 105 CO 0.01 -0.14 -0.02 -0.75 0.21 0.00 0.00 175.17 174.47 3htn s LYS 106 N 1.34 3.65 -0.22 8.23 2.20 0.29 -4.94 119.74 130.30 3htn s LYS 106 Ca 0.00 -0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 55.04 3htn s LYS 106 Cb -0.17 -2.99 -0.02 0.00 -1.51 0.00 0.00 37.83 33.14 3htn s LYS 106 CO -0.03 0.13 0.01 0.99 -0.36 0.00 0.00 175.35 176.09 3htn s THR 107 N 0.67 3.92 -0.15 3.43 2.01 -1.26 -1.25 115.64 123.01 3htn s THR 107 Ca -0.01 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.60 3htn s THR 107 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 3htn s THR 107 CO 0.02 0.40 0.12 -0.36 -0.69 0.00 0.00 174.62 174.12 3htn s PHE 108 N 1.26 3.47 -0.56 4.92 0.40 0.77 -4.95 117.98 123.29 3htn s PHE 108 Ca 0.04 0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.80 3htn s PHE 108 Cb -0.15 -2.02 0.15 0.00 0.51 0.00 0.00 43.02 41.52 3htn s PHE 108 CO 0.01 0.51 0.35 1.03 0.70 0.00 0.00 175.22 177.83 3htn s ARG 109 N -0.41 1.88 0.09 0.44 0.52 -1.26 -1.50 118.95 118.71 3htn s ARG 109 Ca 0.11 -2.69 -0.27 0.00 -0.52 0.00 0.00 55.73 52.36 3htn s ARG 109 Cb -0.12 -2.92 0.08 0.00 0.52 0.00 0.00 34.95 32.52 3htn s ARG 109 CO 0.01 -1.22 1.02 -1.83 0.02 0.00 0.00 175.30 173.31 3htn s GLU 110 N -0.54 0.97 0.72 3.54 -1.05 -1.06 -5.02 118.70 116.26 3htn s GLU 110 Ca 0.22 -0.52 -0.11 0.00 -0.15 0.00 0.00 54.97 54.41 3htn s GLU 110 Cb -0.14 0.34 0.02 0.00 -0.44 0.00 0.00 34.13 33.91 3htn s GLU 110 CO -0.08 -0.44 1.10 -1.14 0.95 0.00 0.00 175.26 175.65 3htn s GLN 111 N -3.07 2.74 -0.05 -4.83 2.00 -1.26 -3.97 119.66 111.21 3htn s GLN 111 Ca 0.12 0.46 0.03 0.00 -2.00 0.00 0.00 55.36 53.96 3htn s GLN 111 Cb -0.00 -2.01 0.01 0.00 0.80 0.00 0.00 33.01 31.81 3htn s GLN 111 CO -0.00 -1.12 -0.12 -1.21 -0.50 0.00 0.00 175.29 172.34 3htn s GLU 113 N -5.35 1.52 -0.56 1.67 0.41 -0.41 -4.25 118.70 111.74 3htn s GLU 113 Ca 0.59 -0.40 -0.28 0.00 -0.41 0.00 0.00 54.97 54.47 3htn s GLU 113 Cb -0.11 -1.30 0.03 0.00 -1.78 0.00 0.00 34.13 30.97 3htn s GLU 113 CO 0.52 0.07 1.15 0.42 -0.49 0.00 0.00 175.26 176.93 3htn s ILE 114 N 0.50 4.10 -0.05 -1.63 1.01 0.10 -0.28 121.20 124.94 3htn s ILE 114 Ca -0.11 0.88 0.14 0.00 0.00 0.00 0.00 60.65 61.56 3htn s ILE 114 Cb -0.14 -4.68 0.03 0.00 0.01 0.00 0.00 42.46 37.68 3htn s ILE 114 CO 0.03 -1.26 1.47 0.77 0.00 0.00 0.00 174.94 175.95 3htn h SER 115 N 9.46 0.00 -2.78 3.58 4.64 -1.30 -3.23 113.55 123.91 3htn h SER 115 Ca -0.25 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.14 3htn h SER 115 Cb 1.06 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.91 3htn h SER 115 CO 1.16 0.56 0.19 0.21 -0.87 0.00 0.00 176.83 178.08 3htn s ASN 116 N -6.50 -0.74 -0.08 4.97 3.84 -1.03 -4.88 114.94 110.53 3htn s ASN 116 Ca 0.03 1.19 0.04 0.00 0.21 0.00 0.00 52.86 54.32 3htn s ASN 116 Cb 0.09 1.30 -0.02 0.00 -0.55 0.00 0.00 41.25 42.07 3htn s ASN 116 CO 0.75 -0.19 -0.19 -0.22 -2.79 0.00 0.00 177.10 174.46 3htn s LEU 117 N 1.50 2.44 -0.16 3.21 0.20 -0.29 -0.78 118.68 124.79 3htn s LEU 117 Ca -0.10 -0.37 -0.18 0.00 0.69 0.00 0.00 54.13 54.17 3htn s LEU 117 Cb -0.04 -1.49 0.05 0.00 -0.43 0.00 0.00 46.19 44.27 3htn s LEU 117 CO -0.18 0.25 0.50 0.28 -0.29 0.00 0.00 176.35 176.91 3htn s THR 118 N -0.16 0.01 0.00 3.68 -1.32 -0.58 -1.54 115.64 115.73 3htn s THR 118 Ca -0.02 -0.05 -0.11 0.00 -1.21 0.00 0.00 61.69 60.30 3htn s THR 118 Cb -0.14 -0.72 0.04 0.00 -1.51 0.00 0.00 72.50 70.17 3htn s THR 118 CO 0.04 -0.03 0.51 0.61 -2.21 0.00 0.00 174.62 173.54 3htn n GLY 119 N 2.50 0.53 3.21 6.08 0.00 -0.35 -1.23 105.19 115.94 3htn n GLY 119 Ca -0.15 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 3htn n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3htn s ASN 120 N -2.14 1.01 -0.02 1.61 2.20 -0.06 -1.49 114.94 116.04 3htn s ASN 120 Ca 0.12 -1.16 0.07 0.00 -0.94 0.00 0.00 52.86 50.95 3htn s ASN 120 Cb -0.00 0.15 -0.02 0.00 -2.00 0.00 0.00 41.25 39.38 3htn s ASN 120 CO 0.00 -0.59 -0.23 -0.63 -2.94 0.00 0.00 177.10 172.71 3htn s ILE 121 N -3.74 1.78 0.00 0.54 1.01 -0.12 -1.73 121.20 118.94 3htn s ILE 121 Ca 0.22 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3htn s ILE 121 Cb 0.06 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 41.05 3htn s ILE 121 CO 0.02 0.50 0.00 -1.54 0.00 0.00 0.00 174.94 173.92 3htn n SER 122 N 2.55 0.00 -3.66 3.58 3.41 -0.34 -2.30 113.62 116.86 3htn n SER 122 Ca -0.16 -0.86 -0.22 0.00 -0.26 0.00 0.00 58.87 57.38 3htn n SER 122 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 3htn n SER 122 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3htn n SER 123 N -1.32 2.01 -0.72 4.04 3.41 0.20 -0.98 113.62 120.27 3htn n SER 123 Ca 0.00 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 3htn n SER 123 Cb 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3htn n SER 123 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3htn n ASN 125 N -1.46 0.00 -1.74 4.04 6.94 -1.26 -2.99 115.26 118.78 3htn n ASN 125 Ca -0.10 0.00 -0.20 0.00 -0.02 0.00 0.00 54.58 54.26 3htn n ASN 125 Cb 0.49 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.84 3htn n ASN 125 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3htn n GLU 126 N -0.27 -1.44 -4.10 -3.83 1.02 -1.26 -4.97 120.64 105.78 3htn n GLU 126 Ca 0.00 1.13 -0.09 0.00 -0.02 0.00 0.00 57.16 58.18 3htn n GLU 126 Cb 0.00 -5.55 -0.10 0.00 -0.02 0.00 0.00 31.44 25.77 3htn n GLU 126 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3htn s GLN 127 N -4.07 0.65 0.36 3.49 -1.52 -1.26 -5.12 119.66 112.19 3htn s GLN 127 Ca 0.00 -1.18 -0.28 0.00 -1.95 0.00 0.00 55.36 51.95 3htn s GLN 127 Cb 0.00 0.05 -0.11 0.00 -0.22 0.00 0.00 33.01 32.73 3htn s GLN 127 CO 0.00 -0.07 1.48 0.28 -0.25 0.00 0.00 175.29 176.73 3htn n VAL 128 N 0.26 1.86 -4.01 1.09 0.31 -1.26 -4.44 118.33 112.14 3htn n VAL 128 Ca -0.15 -0.47 -0.31 0.00 -0.01 0.00 0.00 64.34 63.41 3htn n VAL 128 Cb 0.60 -1.93 -0.16 0.00 -0.91 0.00 0.00 33.84 31.44 3htn n VAL 128 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3htn s TYR 129 N -0.96 2.37 -0.13 3.52 6.14 -0.15 -4.95 117.35 123.19 3htn s TYR 129 Ca 0.55 -1.48 -0.05 0.00 0.64 0.00 0.00 57.07 56.73 3htn s TYR 129 Cb -0.49 -1.65 -0.04 0.00 0.42 0.00 0.00 41.96 40.21 3htn s TYR 129 CO 0.62 -0.72 0.04 -0.51 0.64 0.00 0.00 175.55 175.61 3htn s LEU 130 N 1.42 3.76 -0.27 6.97 1.43 -1.26 -1.20 118.68 129.52 3htn s LEU 130 Ca 0.01 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3htn s LEU 130 Cb -0.15 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.24 3htn s LEU 130 CO -0.09 0.29 -0.04 -2.28 0.23 0.00 0.00 176.35 174.47 3htn s HIS 131 N -0.36 2.90 -0.07 0.29 2.46 -0.71 -5.00 115.29 114.80 3htn s HIS 131 Ca 0.08 -2.20 0.03 0.00 0.47 0.00 0.00 55.06 53.44 3htn s HIS 131 Cb -0.12 -1.99 0.01 0.00 -0.13 0.00 0.00 32.58 30.34 3htn s HIS 131 CO 0.02 -0.85 -0.16 -0.51 -2.47 0.00 0.00 174.74 170.77 3htn s LEU 132 N 1.22 1.80 0.35 8.88 1.43 -1.26 -0.88 118.68 130.21 3htn s LEU 132 Ca -0.02 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 3htn s LEU 132 Cb -0.19 -0.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 3htn s LEU 132 CO -0.08 0.08 0.07 -1.00 0.23 0.00 0.00 176.35 175.66 3htn s HIS 133 N 0.47 2.60 0.03 0.29 3.76 -0.36 -1.10 115.29 120.98 3htn s HIS 133 Ca -0.14 -0.44 -0.18 0.00 -0.15 0.00 0.00 55.06 54.15 3htn s HIS 133 Cb -0.16 -1.60 0.04 0.00 1.11 0.00 0.00 32.58 31.97 3htn s HIS 133 CO 0.05 0.40 0.41 -1.50 -0.85 0.00 0.00 174.74 173.25 3htn s ILE 134 N -2.50 0.05 -0.07 0.60 2.07 -0.42 -1.53 121.20 119.40 3htn s ILE 134 Ca 0.36 -0.44 0.02 0.00 -1.41 0.00 0.00 60.65 59.18 3htn s ILE 134 Cb -0.00 -0.91 0.02 0.00 0.13 0.00 0.00 42.46 41.69 3htn s ILE 134 CO 0.21 -0.24 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.00 3htn s THR 135 N -2.26 1.09 0.12 4.00 2.01 0.04 -1.63 115.64 119.01 3htn s THR 135 Ca -0.07 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 61.58 3htn s THR 135 Cb -0.01 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 3htn s THR 135 CO -0.01 0.35 -0.18 0.68 -0.69 0.00 0.00 174.62 174.78 3htn s VAL 136 N 0.89 1.59 -0.12 3.82 -7.23 -0.08 -0.91 120.40 118.37 3htn s VAL 136 Ca -0.10 -1.69 -0.04 0.00 -1.81 0.00 0.00 61.98 58.34 3htn s VAL 136 Cb -0.15 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 3htn s VAL 136 CO 0.01 -0.25 0.03 -0.83 -0.31 0.00 0.00 175.10 173.75 3htn s GLY 137 N -2.27 1.89 0.74 2.32 0.00 0.61 -1.03 107.32 109.57 3htn s GLY 137 Ca 0.09 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 3htn s GLY 137 CO 0.05 -0.38 1.01 0.50 0.00 0.00 0.00 173.10 174.28 3htn s ARG 138 N -0.54 1.60 0.47 2.90 0.52 -0.02 -1.28 118.95 122.60 3htn s ARG 138 Ca 0.10 -1.14 0.32 0.00 -0.52 0.00 0.00 55.73 54.49 3htn s ARG 138 Cb -0.12 -2.32 1.52 0.00 0.52 0.00 0.00 34.95 34.55 3htn s ARG 138 CO 0.02 -1.51 1.97 0.66 0.02 0.00 0.00 175.30 176.45 3htn h SER 139 N -0.58 0.00 -0.52 0.23 4.64 -1.89 -0.12 113.55 115.30 3htn h SER 139 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3htn h SER 139 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3htn h SER 139 CO 0.39 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.45 3htn n ASP 140 N -2.74 3.21 0.00 4.97 5.75 -1.26 -4.94 116.55 121.54 3htn n ASP 140 Ca -0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 3htn n ASP 140 Cb 0.18 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 3htn n ASP 140 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3htn n TYR 141 N 1.27 0.00 -2.18 2.11 4.01 -0.06 -5.00 117.16 117.31 3htn n TYR 141 Ca 0.20 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.58 3htn n TYR 141 Cb 0.53 -0.34 0.01 0.00 -0.31 0.00 0.00 39.34 39.23 3htn n TYR 141 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3htn s SER 142 N -2.71 5.65 -0.06 7.72 1.04 -1.26 -4.61 113.70 119.47 3htn s SER 142 Ca 0.00 2.28 -0.02 0.00 0.48 0.00 0.00 55.95 58.69 3htn s SER 142 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 3htn s SER 142 CO 0.00 -1.27 0.04 0.00 0.98 0.00 0.00 173.24 172.99 3htn s ALA 143 N -1.67 3.44 0.16 5.32 0.00 -1.26 -0.84 121.76 126.92 3htn s ALA 143 Ca 0.72 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.96 3htn s ALA 143 Cb -0.27 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 3htn s ALA 143 CO 0.31 0.63 -0.14 -0.51 0.00 0.00 0.00 175.76 176.04 3htn s LEU 144 N -1.21 2.81 -0.07 0.00 1.43 -0.20 -4.98 118.68 116.47 3htn s LEU 144 Ca 0.17 -0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 52.47 3htn s LEU 144 Cb -0.12 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.58 3htn s LEU 144 CO 0.06 0.13 0.46 0.00 0.23 0.00 0.00 176.35 177.24 3htn s ALA 145 N -1.49 -1.18 0.00 4.21 0.00 -1.26 -0.90 121.76 121.14 3htn s ALA 145 Ca 0.22 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3htn s ALA 145 Cb -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3htn s ALA 145 CO 0.13 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3htn n GLY 146 N 1.61 -1.09 3.67 0.00 0.00 -0.65 -5.02 105.19 103.71 3htn n GLY 146 Ca -0.19 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 3htn n GLY 146 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3htn s HIS 147 N -3.00 3.20 -0.13 1.61 5.65 -1.25 -1.30 115.29 120.07 3htn s HIS 147 Ca 0.00 1.32 -0.26 0.00 0.25 0.00 0.00 55.06 56.37 3htn s HIS 147 Cb 0.00 -3.35 -0.02 0.00 -1.18 0.00 0.00 32.58 28.03 3htn s HIS 147 CO 0.00 -0.92 0.83 -1.17 -0.65 0.00 0.00 174.74 172.83 3htn s LEU 148 N 2.95 4.23 -0.25 8.88 2.96 -0.26 -1.23 118.68 135.96 3htn s LEU 148 Ca 0.50 1.25 0.01 0.00 -0.22 0.00 0.00 54.13 55.66 3htn s LEU 148 Cb -0.19 -3.26 -0.18 0.00 0.50 0.00 0.00 46.19 43.07 3htn s LEU 148 CO 0.13 -0.33 -0.18 0.18 -1.32 0.00 0.00 176.35 174.83 3htn n LEU 149 N 4.79 2.91 -3.59 -0.68 4.77 -0.04 -4.66 117.00 120.50 3htn n LEU 149 Ca 0.04 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 3htn n LEU 149 Cb 0.49 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 3htn n LEU 149 CO 0.49 0.92 0.59 -0.55 -1.33 0.00 0.00 177.39 177.50 3htn s SER 150 N -6.60 -0.56 -0.20 -1.43 0.15 -1.11 -4.83 113.70 99.12 3htn s SER 150 Ca -0.34 0.87 -0.14 0.00 0.70 0.00 0.00 55.95 57.04 3htn s SER 150 Cb 0.09 0.81 0.06 0.00 -1.71 0.00 0.00 66.02 65.27 3htn s SER 150 CO 0.61 -0.34 0.50 0.00 1.20 0.00 0.00 173.24 175.21 3htn s ALA 151 N -0.40 -1.27 -0.31 5.45 0.00 -1.26 0.04 121.76 124.01 3htn s ALA 151 Ca -0.02 1.62 -0.11 0.00 0.00 0.00 0.00 51.96 53.44 3htn s ALA 151 Cb -0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 3htn s ALA 151 CO 0.02 -0.27 0.19 0.42 0.00 0.00 0.00 175.76 176.12 3htn s ILE 152 N 0.92 5.07 0.40 0.00 1.01 -0.73 -0.60 121.20 127.27 3htn s ILE 152 Ca -0.05 -0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.18 3htn s ILE 152 Cb -0.06 -3.53 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 3htn s ILE 152 CO -0.08 0.11 1.45 -1.58 0.00 0.00 0.00 174.94 174.85 3htn s GLN 153 N 1.70 3.97 -0.45 2.79 0.74 -0.39 -0.77 119.66 127.26 3htn s GLN 153 Ca 0.06 2.49 0.05 0.00 0.05 0.00 0.00 55.36 58.01 3htn s GLN 153 Cb -0.17 -2.86 0.18 0.00 1.10 0.00 0.00 33.01 31.26 3htn s GLN 153 CO 0.09 -0.61 0.47 1.21 -0.55 0.00 0.00 175.29 175.90 3htn s ASN 154 N -0.30 0.44 0.00 6.67 2.47 -0.38 -1.56 114.94 122.28 3htn s ASN 154 Ca 0.55 -2.59 0.00 0.00 0.42 0.00 0.00 52.86 51.24 3htn s ASN 154 Cb -0.45 0.37 0.00 0.00 -1.45 0.00 0.00 41.25 39.72 3htn s ASN 154 CO 0.60 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 174.46 3htn n GLY 155 N 2.91 0.43 3.96 1.21 0.00 -1.26 -4.13 105.19 108.32 3htn n GLY 155 Ca 0.26 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 3htn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htn s ALA 156 N -1.23 3.91 -0.28 4.61 0.00 -1.26 -4.56 121.76 122.95 3htn s ALA 156 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.81 3htn s ALA 156 Cb 0.00 -1.91 0.16 0.00 0.00 0.00 0.00 23.12 21.36 3htn s ALA 156 CO 0.00 -0.05 0.42 0.20 0.00 0.00 0.00 175.76 176.33 3htn s GLY 157 N -4.10 -0.59 -0.27 0.00 0.00 -1.26 -1.45 107.32 99.65 3htn s GLY 157 Ca 0.42 0.47 0.01 0.00 0.00 0.00 0.00 44.72 45.63 3htn s GLY 157 CO 0.33 3.01 -0.01 -0.54 0.00 0.00 0.00 173.10 175.89 3htn s GLU 158 N 2.57 1.50 0.03 2.90 2.02 0.11 -1.21 118.70 126.63 3htn s GLU 158 Ca 0.11 -1.22 0.06 0.00 0.02 0.00 0.00 54.97 53.93 3htn s GLU 158 Cb -0.13 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 3htn s GLU 158 CO -0.27 -0.73 -0.17 -0.06 0.02 0.00 0.00 175.26 174.06 3htn s PHE 159 N 1.30 1.47 -0.22 1.61 0.08 -0.03 -1.68 117.98 120.50 3htn s PHE 159 Ca -0.00 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.65 3htn s PHE 159 Cb -0.19 -0.88 -0.02 0.00 -0.57 0.00 0.00 43.02 41.36 3htn s PHE 159 CO -0.09 0.05 0.01 0.08 -0.10 0.00 0.00 175.22 175.16 3htn s VAL 160 N -0.76 3.89 -0.25 -0.44 1.01 0.76 -0.03 120.40 124.57 3htn s VAL 160 Ca 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3htn s VAL 160 Cb -0.08 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.54 3htn s VAL 160 CO 0.01 0.40 -0.03 -0.69 0.00 0.00 0.00 175.10 174.80 3htn s VAL 161 N 1.28 3.21 -0.12 2.92 1.01 0.11 -1.78 120.40 127.04 3htn s VAL 161 Ca 0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 3htn s VAL 161 Cb -0.15 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 3htn s VAL 161 CO 0.01 0.22 0.26 -0.70 0.00 0.00 0.00 175.10 174.89 3htn s GLU 162 N 1.39 3.95 -0.31 2.72 2.12 -0.23 -0.18 118.70 128.17 3htn s GLU 162 Ca 0.02 0.07 -0.10 0.00 0.36 0.00 0.00 54.97 55.32 3htn s GLU 162 Cb -0.16 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 3htn s GLU 162 CO -0.03 0.49 0.16 0.34 -0.54 0.00 0.00 175.26 175.69 3htn s ASP 163 N -0.29 5.62 0.22 -1.70 2.15 0.01 -1.86 116.67 120.81 3htn s ASP 163 Ca 0.17 -0.46 0.26 0.00 0.43 0.00 0.00 52.55 52.95 3htn s ASP 163 Cb -0.13 -2.02 0.82 0.00 -0.30 0.00 0.00 42.92 41.28 3htn s ASP 163 CO 0.05 -0.18 1.77 -1.22 -0.17 0.00 0.00 175.17 175.42 3htn n TYR 164 N 5.00 0.95 -3.01 -5.34 4.01 -0.41 -4.85 117.16 113.50 3htn n TYR 164 Ca -0.14 0.28 -0.22 0.00 -0.16 0.00 0.00 57.90 57.67 3htn n TYR 164 Cb 0.49 -0.96 0.02 0.00 -0.31 0.00 0.00 39.34 38.58 3htn n TYR 164 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3htn n SER 165 N -2.28 -5.39 -3.84 7.72 7.64 -1.26 -4.97 113.62 111.23 3htn n SER 165 Ca 0.05 -0.26 -0.12 0.00 1.01 0.00 0.00 58.87 59.56 3htn n SER 165 Cb 0.42 -4.40 -0.10 0.00 -1.01 0.00 0.00 64.21 59.11 3htn n SER 165 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3htn s GLU 166 N -5.68 0.42 0.14 1.43 0.41 -1.26 -5.05 118.70 109.11 3htn s GLU 166 Ca 0.28 -0.15 -0.30 0.00 -0.41 0.00 0.00 54.97 54.39 3htn s GLU 166 Cb -0.13 0.18 -0.07 0.00 -1.78 0.00 0.00 34.13 32.33 3htn s GLU 166 CO 0.35 -0.09 1.10 0.50 -0.49 0.00 0.00 175.26 176.62 3htn s ARG 167 N -0.89 4.57 -0.05 1.61 3.52 -1.26 -3.12 118.95 123.34 3htn s ARG 167 Ca -0.10 1.68 -0.02 0.00 -0.13 0.00 0.00 55.73 57.16 3htn s ARG 167 Cb -0.05 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.06 3htn s ARG 167 CO 0.01 0.03 0.07 0.42 -0.81 0.00 0.00 175.30 175.02 3htn s ILE 168 N 0.07 -0.13 0.22 4.11 1.01 -1.26 -4.98 121.20 120.24 3htn s ILE 168 Ca 0.51 0.38 0.02 0.00 0.00 0.00 0.00 60.65 61.56 3htn s ILE 168 Cb -0.28 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.01 3htn s ILE 168 CO 0.33 0.14 0.19 -0.24 0.00 0.00 0.00 174.94 175.37 3htn n SER 169 N 5.30 1.51 -3.85 3.58 2.88 -1.19 -0.63 113.62 121.22 3htn n SER 169 Ca -0.03 -1.72 -0.10 0.00 -1.33 0.00 0.00 58.87 55.69 3htn n SER 169 Cb 0.50 -0.05 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 3htn n SER 169 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3htn s ARG 170 N -2.92 0.76 -0.04 -1.46 0.52 -1.16 -1.23 118.95 113.42 3htn s ARG 170 Ca 0.15 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.59 3htn s ARG 170 Cb -0.01 0.31 0.02 0.00 0.52 0.00 0.00 34.95 35.79 3htn s ARG 170 CO 0.09 -0.23 -0.05 0.99 0.02 0.00 0.00 175.30 176.13 3htn s THR 171 N -3.14 0.55 -0.04 0.02 2.01 -0.42 -4.81 115.64 109.81 3htn s THR 171 Ca -0.01 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 3htn s THR 171 Cb 0.02 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 3htn s THR 171 CO -0.07 0.23 1.42 -0.47 -0.69 0.00 0.00 174.62 175.04 3htn s TYR 172 N 0.85 2.68 -0.49 4.92 5.04 -1.26 -1.48 117.35 127.61 3htn s TYR 172 Ca -0.12 0.73 -0.21 0.00 -2.44 0.00 0.00 57.07 55.03 3htn s TYR 172 Cb -0.14 -3.68 0.04 0.00 0.35 0.00 0.00 41.96 38.53 3htn s TYR 172 CO 0.00 -2.57 0.72 1.21 -1.34 0.00 0.00 175.55 173.58 3htn s ASN 173 N 2.19 6.30 0.54 4.32 3.84 0.04 -4.94 114.94 127.23 3htn s ASN 173 Ca 0.64 -0.52 0.32 0.00 0.21 0.00 0.00 52.86 53.52 3htn s ASN 173 Cb -0.30 -2.34 1.37 0.00 -0.55 0.00 0.00 41.25 39.42 3htn s ASN 173 CO 0.25 -0.94 1.99 1.55 -2.79 0.00 0.00 177.10 177.16 3htn h PRO 174 N 9.03 0.00 -0.17 0.43 0.13 -1.94 0.27 132.00 139.75 3htn h PRO 174 Ca -0.26 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.66 3htn h PRO 174 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3htn h PRO 174 CO 0.97 0.05 -0.70 -0.44 -0.23 0.00 0.00 178.00 177.65 3htn h ASP 175 N 0.00 0.84 0.55 1.44 3.32 -1.96 -3.30 116.42 117.31 3htn h ASP 175 Ca -0.00 -0.52 -0.28 0.00 0.02 0.00 0.00 57.03 56.24 3htn h ASP 175 Cb 0.51 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3htn h ASP 175 CO 0.01 1.30 -1.56 -0.07 -1.72 0.00 0.00 179.24 177.20 3htn h LEU 176 N 0.51 0.11 0.00 1.55 3.38 -1.90 -3.49 115.31 115.48 3htn h LEU 176 Ca -0.03 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3htn h LEU 176 Cb 1.31 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3htn h LEU 176 CO 0.14 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.44 3htn n GLY 177 N 1.57 0.42 3.20 0.83 0.00 0.91 -4.98 105.19 107.14 3htn n GLY 177 Ca -0.15 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 3htn n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3htn s LEU 178 N 0.00 2.31 -0.49 0.99 1.43 -1.19 -4.97 118.68 116.76 3htn s LEU 178 Ca 0.00 -0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 52.21 3htn s LEU 178 Cb 0.00 -0.56 0.04 0.00 0.03 0.00 0.00 46.19 45.70 3htn s LEU 178 CO 0.00 -0.08 0.75 0.20 0.23 0.00 0.00 176.35 177.45 3htn s ASN 179 N -1.94 6.33 -0.10 2.29 0.01 -1.26 -0.78 114.94 119.49 3htn s ASN 179 Ca 0.02 -0.42 -0.04 0.00 -0.71 0.00 0.00 52.86 51.71 3htn s ASN 179 Cb -0.09 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 3htn s ASN 179 CO 0.03 -0.96 0.05 -0.63 -1.51 0.00 0.00 177.10 174.07 3htn s ILE 180 N 3.19 4.71 0.16 0.60 -1.09 -0.55 -4.85 121.20 123.38 3htn s ILE 180 Ca 0.25 -0.09 -0.32 0.00 -2.23 0.00 0.00 60.65 58.25 3htn s ILE 180 Cb -0.14 -3.01 -0.17 0.00 -1.58 0.00 0.00 42.46 37.56 3htn s ILE 180 CO 0.18 0.61 0.97 -1.22 -1.23 0.00 0.00 174.94 174.25 3htn n TYR 181 N 2.11 0.72 -3.77 3.97 4.01 -1.26 -1.30 117.16 121.64 3htn n TYR 181 Ca -0.19 0.83 -0.29 0.00 -0.16 0.00 0.00 57.90 58.09 3htn n TYR 181 Cb 0.54 -2.16 -0.16 0.00 -0.31 0.00 0.00 39.34 37.26 3htn n TYR 181 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3htn s ASP 182 N -0.31 3.62 0.00 7.72 -1.08 -0.36 -4.72 116.67 121.53 3htn s ASP 182 Ca 0.73 -1.28 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 3htn s ASP 182 Cb -0.94 -0.83 1.28 0.00 -1.46 0.00 0.00 42.92 40.97 3htn s ASP 182 CO 0.55 -0.35 1.89 0.49 0.52 0.00 0.00 175.17 178.27 3htn n PHE 183 N 4.88 0.00 -0.06 -5.34 3.72 -1.26 -3.15 117.46 116.25 3htn n PHE 183 Ca -0.06 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.15 3htn n PHE 183 Cb 0.44 -0.14 -0.13 0.00 -0.94 0.00 0.00 39.48 38.71 3htn n PHE 183 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3htn n GLU 184 N -0.83 0.70 0.00 -1.08 -0.58 -1.26 -4.98 120.64 112.62 3htn n GLU 184 Ca 0.16 0.20 0.15 0.00 -0.42 0.00 0.00 57.16 57.25 3htn n GLU 184 Cb 0.27 -1.62 0.88 0.00 -0.57 0.00 0.00 31.44 30.40 3htn n GLU 184 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54