#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbw n GLN 65 N 0.00 0.68 -4.06 -0.52 3.00 -1.16 -2.78 117.38 112.55 3hbw n GLN 65 Ca 0.00 -3.49 -0.33 0.00 -0.01 0.00 0.00 57.00 53.18 3hbw n GLN 65 Cb 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 30.24 28.45 3hbw n GLN 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3hbw s LEU 66 N -0.56 3.98 -0.29 1.08 1.43 0.72 -4.87 118.68 120.17 3hbw s LEU 66 Ca 0.32 0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.43 3hbw s LEU 66 Cb 0.06 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 3hbw s LEU 66 CO -0.17 0.26 0.44 -0.75 0.23 0.00 0.00 176.35 176.36 3hbw s LYS 67 N -1.86 3.91 0.00 1.70 2.20 -1.26 0.45 119.74 124.88 3hbw s LYS 67 Ca 0.25 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 3hbw s LYS 67 Cb -0.12 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 3hbw s LYS 67 CO 0.16 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 3hbw n GLY 68 N 4.66 5.24 2.93 5.54 0.00 0.17 -4.64 105.19 119.09 3hbw n GLY 68 Ca -0.07 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 3hbw n GLY 68 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hbw s ILE 69 N -0.61 0.22 -0.23 -0.61 2.07 -1.01 -0.87 121.20 120.15 3hbw s ILE 69 Ca 0.00 -0.24 -0.16 0.00 -1.41 0.00 0.00 60.65 58.84 3hbw s ILE 69 Cb 0.00 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.34 3hbw s ILE 69 CO 0.00 -0.02 0.43 -0.69 -1.91 0.00 0.00 174.94 172.76 3hbw s VAL 70 N -0.26 5.15 0.17 4.00 1.01 0.53 -0.95 120.40 130.05 3hbw s VAL 70 Ca -0.01 0.74 -0.18 0.00 0.00 0.00 0.00 61.98 62.53 3hbw s VAL 70 Cb -0.02 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.64 3hbw s VAL 70 CO -0.00 0.18 0.49 0.28 0.00 0.00 0.00 175.10 176.05 3hbw s THR 71 N 1.79 0.04 0.20 3.92 -1.32 -0.06 0.16 115.64 120.37 3hbw s THR 71 Ca 0.19 -0.58 0.05 0.00 -1.21 0.00 0.00 61.69 60.13 3hbw s THR 71 Cb -0.15 -1.35 -0.03 0.00 -1.51 0.00 0.00 72.50 69.46 3hbw s THR 71 CO 0.09 -0.16 0.27 -0.54 -2.21 0.00 0.00 174.62 172.06 3hbw s LYS 72 N -3.83 3.24 -0.27 7.08 1.02 -0.79 -0.82 119.74 125.37 3hbw s LYS 72 Ca 0.06 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.27 3hbw s LYS 72 Cb -0.00 -2.80 0.07 0.00 -0.52 0.00 0.00 37.83 34.58 3hbw s LYS 72 CO -0.08 0.46 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.28 3hbw s LEU 73 N -3.58 3.15 -0.37 3.17 1.43 -1.26 -0.87 118.68 120.35 3hbw s LEU 73 Ca 0.33 -1.48 -0.20 0.00 -1.03 0.00 0.00 54.13 51.75 3hbw s LEU 73 Cb -0.10 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 44.83 3hbw s LEU 73 CO 0.27 -0.28 0.64 -0.47 0.23 0.00 0.00 176.35 176.74 3hbw s TYR 74 N 1.26 3.13 0.31 0.29 5.04 -0.69 -0.91 117.35 125.79 3hbw s TYR 74 Ca -0.01 0.26 -0.29 0.00 -2.44 0.00 0.00 57.07 54.59 3hbw s TYR 74 Cb -0.19 -3.19 -0.10 0.00 0.35 0.00 0.00 41.96 38.83 3hbw s TYR 74 CO -0.09 -0.68 1.29 0.45 -1.34 0.00 0.00 175.55 175.18 3hbw s SER 75 N 1.84 6.84 0.38 4.32 0.15 0.10 0.11 113.70 127.44 3hbw s SER 75 Ca 0.24 2.62 0.25 0.00 0.70 0.00 0.00 55.95 59.76 3hbw s SER 75 Cb -0.14 -2.64 1.37 0.00 -1.71 0.00 0.00 66.02 62.89 3hbw s SER 75 CO 0.16 -0.49 1.78 -0.09 1.20 0.00 0.00 173.24 175.80 3hbw h ARG 76 N 3.61 0.00 -0.00 5.44 2.43 -1.06 0.48 114.38 125.27 3hbw h ARG 76 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3hbw h ARG 76 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3hbw h ARG 76 CO 0.67 0.00 -0.00 1.04 -1.51 0.00 0.00 179.97 180.16 3hbw n GLN 77 N -2.39 0.85 -0.12 0.20 1.13 -1.26 -4.90 117.38 110.89 3hbw n GLN 77 Ca -0.02 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 3hbw n GLN 77 Cb 0.05 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.90 3hbw n GLN 77 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hbw n GLY 78 N 1.09 0.83 3.29 1.08 0.00 0.16 -4.88 105.19 106.75 3hbw n GLY 78 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 3hbw n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hbw s TYR 79 N -2.07 2.02 -0.05 1.61 2.02 -1.23 -4.87 117.35 114.78 3hbw s TYR 79 Ca 0.00 -0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 56.09 3hbw s TYR 79 Cb 0.00 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 3hbw s TYR 79 CO 0.00 0.10 0.64 -1.01 -1.57 0.00 0.00 175.55 173.71 3hbw s HIS 80 N -0.79 3.60 0.41 2.71 3.76 -0.31 0.02 115.29 124.69 3hbw s HIS 80 Ca 0.09 1.19 -0.26 0.00 -0.15 0.00 0.00 55.06 55.93 3hbw s HIS 80 Cb -0.09 -2.72 -0.09 0.00 1.11 0.00 0.00 32.58 30.79 3hbw s HIS 80 CO 0.02 0.18 1.43 -1.17 -0.85 0.00 0.00 174.74 174.34 3hbw s LEU 81 N 0.48 4.21 -0.00 0.89 2.96 -0.08 -0.82 118.68 126.31 3hbw s LEU 81 Ca 0.34 2.93 -0.01 0.00 -0.22 0.00 0.00 54.13 57.17 3hbw s LEU 81 Cb -0.18 -3.83 -0.00 0.00 0.50 0.00 0.00 46.19 42.69 3hbw s LEU 81 CO 0.17 -1.01 0.02 -1.58 -1.32 0.00 0.00 176.35 172.63 3hbw s GLN 82 N -2.27 0.07 -0.33 1.98 0.74 0.20 -4.44 119.66 115.61 3hbw s GLN 82 Ca 0.57 -0.07 0.02 0.00 0.05 0.00 0.00 55.36 55.93 3hbw s GLN 82 Cb -0.44 0.03 0.10 0.00 1.10 0.00 0.00 33.01 33.80 3hbw s GLN 82 CO 0.58 -0.01 0.08 -1.17 -0.55 0.00 0.00 175.29 174.22 3hbw s LEU 83 N -0.23 3.54 0.56 3.68 2.96 -0.63 -1.90 118.68 126.66 3hbw s LEU 83 Ca -0.03 -1.95 -0.16 0.00 -0.22 0.00 0.00 54.13 51.77 3hbw s LEU 83 Cb -0.02 -1.26 -0.05 0.00 0.50 0.00 0.00 46.19 45.36 3hbw s LEU 83 CO -0.00 -0.39 1.03 -1.10 -1.32 0.00 0.00 176.35 174.57 3hbw s GLN 84 N 1.19 3.57 0.56 1.98 -0.21 -0.71 -4.79 119.66 121.24 3hbw s GLN 84 Ca 0.11 1.12 0.36 0.00 0.02 0.00 0.00 55.36 56.96 3hbw s GLN 84 Cb -0.18 -2.07 1.49 0.00 1.00 0.00 0.00 33.01 33.24 3hbw s GLN 84 CO -0.16 -0.60 1.74 0.00 -2.12 0.00 0.00 175.29 174.16 3hbw h ALA 85 N 0.65 3.02 -0.12 6.09 0.00 -1.97 0.43 119.26 127.35 3hbw h ALA 85 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hbw h ALA 85 Cb 1.21 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hbw h ALA 85 CO 0.59 -1.47 0.00 -0.40 0.00 0.00 0.00 179.25 177.97 3hbw n ASP 86 N -3.96 1.28 0.00 0.00 5.68 -1.26 -4.91 116.55 113.37 3hbw n ASP 86 Ca 0.24 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 3hbw n ASP 86 Cb 1.26 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 41.16 3hbw n ASP 86 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hbw n GLY 87 N 1.06 0.81 3.76 6.12 0.00 0.15 -5.05 105.19 112.04 3hbw n GLY 87 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3hbw n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hbw s THR 88 N -2.91 3.66 -0.15 2.61 -4.23 -1.25 -4.47 115.64 108.90 3hbw s THR 88 Ca 0.00 1.59 0.01 0.00 -1.18 0.00 0.00 61.69 62.11 3hbw s THR 88 Cb 0.00 -3.98 0.00 0.00 1.34 0.00 0.00 72.50 69.86 3hbw s THR 88 CO 0.00 0.32 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.60 3hbw s ILE 89 N -1.27 2.54 0.01 2.99 1.01 -1.26 -1.74 121.20 123.48 3hbw s ILE 89 Ca 0.46 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3hbw s ILE 89 Cb -0.29 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3hbw s ILE 89 CO 0.36 0.52 0.04 -0.90 0.00 0.00 0.00 174.94 174.96 3hbw n ASP 90 N 4.05 -0.09 -4.53 3.58 5.75 -0.80 -4.29 116.55 120.22 3hbw n ASP 90 Ca -0.19 -1.06 -0.31 0.00 -0.01 0.00 0.00 54.79 53.22 3hbw n ASP 90 Cb 0.52 0.15 -0.11 0.00 -1.03 0.00 0.00 41.12 40.64 3hbw n ASP 90 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3hbw s GLY 91 N -1.44 1.67 0.08 6.12 0.00 0.38 0.61 107.32 114.75 3hbw s GLY 91 Ca 0.01 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.63 3hbw s GLY 91 CO 0.00 -0.99 -0.06 -1.08 0.00 0.00 0.00 173.10 170.98 3hbw s THR 92 N -0.97 0.58 -1.99 0.90 -1.32 0.00 -4.85 115.64 107.99 3hbw s THR 92 Ca 0.16 -1.83 0.23 0.00 -1.21 0.00 0.00 61.69 59.03 3hbw s THR 92 Cb -0.11 -1.55 -0.01 0.00 -1.51 0.00 0.00 72.50 69.32 3hbw s THR 92 CO 0.07 -0.86 1.09 0.29 -2.21 0.00 0.00 174.62 173.00 3hbw n LYS 93 N 0.12 1.15 -1.59 7.08 5.02 -1.26 -1.17 118.16 127.52 3hbw n LYS 93 Ca -0.13 -0.95 -0.42 0.00 -2.02 0.00 0.00 58.31 54.79 3hbw n LYS 93 Cb 0.60 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 3hbw n LYS 93 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hbw n ASP 94 N -0.10 4.04 -0.34 4.39 -0.08 -1.26 -4.72 116.55 118.49 3hbw n ASP 94 Ca 0.09 -2.78 0.22 0.00 -1.51 0.00 0.00 54.79 50.81 3hbw n ASP 94 Cb 0.46 -1.55 0.45 0.00 2.34 0.00 0.00 41.12 42.82 3hbw n ASP 94 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 3hbw h GLU 95 N 6.24 0.37 0.00 -0.67 -0.00 -1.99 0.60 114.58 119.14 3hbw h GLU 95 Ca 0.57 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.91 3hbw h GLU 95 Cb 0.61 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.27 3hbw h GLU 95 CO 1.89 0.25 0.00 -0.40 -0.00 0.00 0.00 179.01 180.74 3hbw n ASP 96 N -5.01 0.00 -4.74 3.06 5.75 -1.26 -4.80 116.55 109.54 3hbw n ASP 96 Ca 0.31 -0.19 -0.41 0.00 -0.01 0.00 0.00 54.79 54.48 3hbw n ASP 96 Cb 0.93 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.86 3hbw n ASP 96 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3hbw s SER 97 N -2.26 6.66 0.22 -1.12 0.15 0.21 -4.88 113.70 112.68 3hbw s SER 97 Ca 0.17 2.64 0.23 0.00 0.70 0.00 0.00 55.95 59.69 3hbw s SER 97 Cb 0.09 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.71 3hbw s SER 97 CO 0.18 -0.71 1.70 0.35 1.20 0.00 0.00 173.24 175.96 3hbw n THR 98 N 2.60 0.79 1.63 6.45 -2.24 -1.26 -2.67 114.28 119.58 3hbw n THR 98 Ca 0.08 0.15 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 3hbw n THR 98 Cb 0.40 -1.05 0.42 0.00 -2.10 0.00 0.00 70.33 68.00 3hbw n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3hbw n TYR 99 N -2.16 0.11 0.85 4.78 4.01 -1.26 -3.28 117.16 120.21 3hbw n TYR 99 Ca 0.03 -0.05 0.11 0.00 -0.16 0.00 0.00 57.90 57.83 3hbw n TYR 99 Cb 0.26 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.39 3hbw n TYR 99 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3hbw n THR 100 N -0.26 0.07 -3.11 -0.72 -2.24 -1.09 -1.61 114.28 105.33 3hbw n THR 100 Ca 0.14 -0.54 -0.40 0.00 -2.27 0.00 0.00 64.05 60.99 3hbw n THR 100 Cb 0.18 1.40 -0.05 0.00 -2.10 0.00 0.00 70.33 69.76 3hbw n THR 100 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hbw s LEU 101 N -1.82 4.26 0.10 3.22 1.43 -1.20 -4.26 118.68 120.40 3hbw s LEU 101 Ca 0.28 1.03 0.06 0.00 -1.03 0.00 0.00 54.13 54.47 3hbw s LEU 101 Cb 0.19 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 3hbw s LEU 101 CO 0.29 -0.15 -0.16 -0.36 0.23 0.00 0.00 176.35 176.19 3hbw s PHE 102 N 1.13 1.46 -0.29 0.29 0.40 0.00 -0.92 117.98 120.05 3hbw s PHE 102 Ca 0.33 -0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 56.06 3hbw s PHE 102 Cb -0.17 -0.79 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 3hbw s PHE 102 CO 0.14 0.14 0.25 -0.80 0.70 0.00 0.00 175.22 175.66 3hbw s ASN 103 N -2.07 6.10 -0.57 1.36 0.01 0.18 -0.88 114.94 119.08 3hbw s ASN 103 Ca 0.05 0.02 -0.11 0.00 -0.71 0.00 0.00 52.86 52.10 3hbw s ASN 103 Cb -0.08 -2.15 0.14 0.00 0.41 0.00 0.00 41.25 39.57 3hbw s ASN 103 CO 0.03 -0.12 0.47 -0.76 -1.51 0.00 0.00 177.10 175.21 3hbw s LEU 104 N 1.86 5.98 -0.27 0.60 1.02 -0.12 -1.43 118.68 126.32 3hbw s LEU 104 Ca 0.09 -2.10 -0.10 0.00 0.02 0.00 0.00 54.13 52.04 3hbw s LEU 104 Cb -0.16 -2.09 -0.05 0.00 0.02 0.00 0.00 46.19 43.91 3hbw s LEU 104 CO 0.11 -0.69 0.17 -0.63 0.02 0.00 0.00 176.35 175.32 3hbw s ILE 105 N 1.09 5.14 0.10 -0.59 1.01 -0.74 -2.39 121.20 124.82 3hbw s ILE 105 Ca 0.08 0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 3hbw s ILE 105 Cb -0.24 -3.44 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3hbw s ILE 105 CO -0.01 0.27 1.41 -2.16 0.00 0.00 0.00 174.94 174.46 3hbw s PRO 106 N 1.66 4.30 -0.09 2.79 0.04 -1.26 -0.84 135.00 141.60 3hbw s PRO 106 Ca 0.07 2.09 0.13 0.00 0.04 0.00 0.00 61.00 63.34 3hbw s PRO 106 Cb -0.16 -3.29 0.27 0.00 0.04 0.00 0.00 34.50 31.36 3hbw s PRO 106 CO 0.09 -0.48 1.13 1.33 0.04 0.00 0.00 177.00 179.11 3hbw n VAL 107 N 4.06 1.14 0.00 -0.36 0.24 -0.06 -4.92 118.33 118.43 3hbw n VAL 107 Ca 0.12 -1.67 0.00 0.00 -2.04 0.00 0.00 64.34 60.75 3hbw n VAL 107 Cb 0.42 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 3hbw n VAL 107 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hbw n GLY 108 N -0.65 -0.22 3.58 7.63 0.00 -1.16 -4.92 105.19 109.45 3hbw n GLY 108 Ca 0.11 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3hbw n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hbw s LEU 109 N 0.00 3.42 -1.50 0.99 1.02 -1.26 -2.31 118.68 119.04 3hbw s LEU 109 Ca 0.00 1.01 -0.05 0.00 0.02 0.00 0.00 54.13 55.10 3hbw s LEU 109 Cb 0.00 -3.06 0.02 0.00 0.02 0.00 0.00 46.19 43.16 3hbw s LEU 109 CO 0.00 -2.10 0.55 0.54 0.02 0.00 0.00 176.35 175.37 3hbw n ARG 110 N 8.77 -4.45 -4.80 1.70 5.12 -1.26 -4.92 116.66 116.83 3hbw n ARG 110 Ca 0.24 0.82 -0.30 0.00 -1.93 0.00 0.00 57.85 56.68 3hbw n ARG 110 Cb 0.49 -5.64 -0.17 0.00 -1.16 0.00 0.00 32.46 25.99 3hbw n ARG 110 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hbw s VAL 111 N -3.11 1.76 0.20 1.55 1.01 -0.98 -0.28 120.40 120.55 3hbw s VAL 111 Ca 0.31 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3hbw s VAL 111 Cb -0.14 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 3hbw s VAL 111 CO 0.38 0.49 -0.08 0.68 0.00 0.00 0.00 175.10 176.57 3hbw s VAL 112 N 0.67 1.31 -0.07 2.92 -7.23 0.14 -0.88 120.40 117.27 3hbw s VAL 112 Ca -0.12 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 57.94 3hbw s VAL 112 Cb -0.16 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 3hbw s VAL 112 CO 0.03 -0.55 -0.02 0.00 -0.31 0.00 0.00 175.10 174.25 3hbw s ALA 113 N -3.24 3.20 -0.33 1.32 0.00 -0.02 -1.16 121.76 121.53 3hbw s ALA 113 Ca 0.22 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3hbw s ALA 113 Cb 0.03 -1.39 0.08 0.00 0.00 0.00 0.00 23.12 21.83 3hbw s ALA 113 CO 0.05 0.59 0.05 0.42 0.00 0.00 0.00 175.76 176.87 3hbw s ILE 114 N -0.89 2.71 -0.12 0.00 1.01 -1.26 -1.80 121.20 120.85 3hbw s ILE 114 Ca 0.14 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 58.90 3hbw s ILE 114 Cb -0.11 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 3hbw s ILE 114 CO 0.03 -0.39 -0.14 -1.58 0.00 0.00 0.00 174.94 172.86 3hbw s GLN 115 N 1.09 3.29 0.05 2.79 0.74 -0.51 -0.93 119.66 126.19 3hbw s GLN 115 Ca 0.02 -0.70 -0.31 0.00 0.05 0.00 0.00 55.36 54.43 3hbw s GLN 115 Cb -0.20 -2.59 -0.07 0.00 1.10 0.00 0.00 33.01 31.25 3hbw s GLN 115 CO -0.05 0.25 1.51 0.20 -0.55 0.00 0.00 175.29 176.64 3hbw s GLY 116 N 0.26 1.74 0.13 2.59 0.00 0.47 0.51 107.32 113.02 3hbw s GLY 116 Ca -0.10 1.07 -0.18 0.00 0.00 0.00 0.00 44.72 45.51 3hbw s GLY 116 CO 0.06 2.64 1.76 -2.08 0.00 0.00 0.00 173.10 175.48 3hbw h VAL 117 N 4.73 1.11 -0.37 1.40 2.07 -1.36 0.38 116.25 124.21 3hbw h VAL 117 Ca -0.41 -0.25 -0.15 0.00 0.82 0.00 0.00 66.70 66.72 3hbw h VAL 117 Cb 1.19 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3hbw h VAL 117 CO 0.91 0.11 -0.35 -0.61 0.02 0.00 0.00 177.57 177.65 3hbw h GLN 118 N 0.40 0.85 0.00 1.57 5.75 -1.79 -3.30 115.11 118.58 3hbw h GLN 118 Ca 0.11 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 3hbw h GLN 118 Cb 0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 3hbw h GLN 118 CO -0.02 1.06 -1.56 0.25 -2.65 0.00 0.00 178.83 175.91 3hbw n THR 119 N -4.06 0.24 -0.91 2.39 -2.24 -1.21 -4.97 114.28 103.52 3hbw n THR 119 Ca -0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3hbw n THR 119 Cb 0.52 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3hbw n THR 119 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hbw n LYS 120 N -2.38 -0.64 -2.99 -0.78 4.76 0.13 -4.98 118.16 111.28 3hbw n LYS 120 Ca -0.02 0.16 -0.36 0.00 -2.87 0.00 0.00 58.31 55.22 3hbw n LYS 120 Cb 0.55 -3.82 -0.06 0.00 -1.84 0.00 0.00 35.03 29.86 3hbw n LYS 120 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3hbw s LEU 121 N 0.00 4.30 0.02 -0.35 1.43 -1.24 -4.76 118.68 118.08 3hbw s LEU 121 Ca 0.00 1.55 -0.09 0.00 -1.03 0.00 0.00 54.13 54.56 3hbw s LEU 121 Cb 0.00 -3.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.35 3hbw s LEU 121 CO 0.00 -0.04 0.33 -0.31 0.23 0.00 0.00 176.35 176.56 3hbw s TYR 122 N -1.63 3.61 0.39 0.29 1.51 0.33 -0.40 117.35 121.46 3hbw s TYR 122 Ca 0.47 0.72 -0.22 0.00 -1.01 0.00 0.00 57.07 57.03 3hbw s TYR 122 Cb -0.16 -2.10 -0.11 0.00 -0.11 0.00 0.00 41.96 39.48 3hbw s TYR 122 CO 0.21 0.59 0.93 -0.51 -1.11 0.00 0.00 175.55 175.67 3hbw s LEU 123 N -1.63 4.07 0.13 -1.29 1.43 -0.10 -0.10 118.68 121.18 3hbw s LEU 123 Ca 0.28 1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.93 3hbw s LEU 123 Cb -0.14 -4.34 0.03 0.00 0.03 0.00 0.00 46.19 41.77 3hbw s LEU 123 CO 0.15 -0.26 0.38 0.00 0.23 0.00 0.00 176.35 176.86 3hbw s ALA 124 N -1.99 -0.84 -0.08 4.21 0.00 0.19 -4.47 121.76 118.78 3hbw s ALA 124 Ca 0.58 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3hbw s ALA 124 Cb -0.12 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.70 3hbw s ALA 124 CO 0.17 -0.64 -0.10 1.41 0.00 0.00 0.00 175.76 176.59 3hbw s MET 125 N -3.82 1.59 0.83 0.00 1.75 -0.78 -0.33 119.30 118.54 3hbw s MET 125 Ca 0.04 -0.34 -0.06 0.00 -1.25 0.00 0.00 55.69 54.07 3hbw s MET 125 Cb 0.02 -1.42 0.17 0.00 2.84 0.00 0.00 34.83 36.43 3hbw s MET 125 CO -0.11 -0.07 1.14 0.54 -0.65 0.00 0.00 175.02 175.86 3hbw s ASN 126 N 1.00 3.76 0.23 1.11 2.20 -0.30 -4.79 114.94 118.16 3hbw s ASN 126 Ca -0.08 -0.22 0.18 0.00 -0.94 0.00 0.00 52.86 51.79 3hbw s ASN 126 Cb -0.15 0.04 0.91 0.00 -2.00 0.00 0.00 41.25 40.05 3hbw s ASN 126 CO -0.00 -2.28 1.56 -1.54 -2.94 0.00 0.00 177.10 171.90 3hbw n SER 127 N -3.22 0.46 -0.75 3.54 3.41 -1.26 -0.86 113.62 114.93 3hbw n SER 127 Ca 0.16 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.58 3hbw n SER 127 Cb 0.60 -0.75 0.19 0.00 -0.26 0.00 0.00 64.21 63.99 3hbw n SER 127 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hbw n GLU 128 N -2.09 1.95 -0.40 4.33 1.02 -1.26 -4.95 120.64 119.24 3hbw n GLU 128 Ca -0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 3hbw n GLU 128 Cb 0.09 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3hbw n GLU 128 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hbw n GLY 129 N 1.32 0.72 3.77 0.62 0.00 -0.04 -4.88 105.19 106.70 3hbw n GLY 129 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3hbw n GLY 129 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hbw s TYR 130 N -2.65 3.91 0.03 1.61 1.51 -1.26 0.06 117.35 120.56 3hbw s TYR 130 Ca 0.00 1.68 -0.18 0.00 -1.01 0.00 0.00 57.07 57.56 3hbw s TYR 130 Cb 0.00 -2.81 -0.06 0.00 -0.11 0.00 0.00 41.96 38.98 3hbw s TYR 130 CO 0.00 0.49 0.53 -0.51 -1.11 0.00 0.00 175.55 174.95 3hbw s LEU 131 N -1.22 4.49 0.27 -1.29 1.02 -1.26 -1.14 118.68 119.54 3hbw s LEU 131 Ca 0.37 1.15 -0.09 0.00 0.02 0.00 0.00 54.13 55.59 3hbw s LEU 131 Cb -0.23 -2.82 -0.01 0.00 0.02 0.00 0.00 46.19 43.15 3hbw s LEU 131 CO 0.27 0.25 0.43 -0.72 0.02 0.00 0.00 176.35 176.60 3hbw s TYR 132 N -0.88 0.65 -0.10 0.29 -0.85 0.55 -4.98 117.35 112.03 3hbw s TYR 132 Ca 0.28 -0.97 -0.04 0.00 -0.52 0.00 0.00 57.07 55.82 3hbw s TYR 132 Cb -0.18 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.15 3hbw s TYR 132 CO 0.17 -0.99 0.04 0.95 -1.52 0.00 0.00 175.55 174.20 3hbw s THR 133 N -3.75 4.68 -0.05 -3.49 -4.23 -1.26 -0.63 115.64 106.90 3hbw s THR 133 Ca 0.27 -0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.73 3hbw s THR 133 Cb 0.00 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 3hbw s THR 133 CO 0.12 0.60 -0.22 -0.55 -0.54 0.00 0.00 174.62 174.04 3hbw s SER 134 N -0.85 2.67 0.09 3.99 0.15 0.86 -4.93 113.70 115.68 3hbw s SER 134 Ca 0.13 -0.44 -0.08 0.00 0.70 0.00 0.00 55.95 56.26 3hbw s SER 134 Cb -0.12 -0.69 -0.22 0.00 -1.71 0.00 0.00 66.02 63.29 3hbw s SER 134 CO 0.03 0.21 1.18 -0.33 1.20 0.00 0.00 173.24 175.53 3hbw h GLU 135 N 6.08 0.45 -5.96 5.44 5.08 -1.91 0.97 114.58 124.72 3hbw h GLU 135 Ca -0.33 -0.60 -0.61 0.00 -1.00 0.00 0.00 59.36 56.81 3hbw h GLU 135 Cb 1.17 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 3hbw h GLU 135 CO 0.47 1.25 -0.45 -0.51 -1.00 0.00 0.00 179.01 178.77 3hbw s LEU 136 N -7.61 4.34 -0.29 1.33 1.43 -1.26 -4.77 118.68 111.84 3hbw s LEU 136 Ca -0.07 0.37 -0.26 0.00 -1.03 0.00 0.00 54.13 53.15 3hbw s LEU 136 Cb 0.07 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 43.30 3hbw s LEU 136 CO 0.90 0.15 0.92 0.12 0.23 0.00 0.00 176.35 178.67 3hbw s PHE 137 N -1.52 3.21 0.42 0.29 5.36 -1.26 -4.89 117.98 119.60 3hbw s PHE 137 Ca 0.35 1.05 0.04 0.00 -0.96 0.00 0.00 56.93 57.41 3hbw s PHE 137 Cb -0.13 -3.36 -0.02 0.00 -0.34 0.00 0.00 43.02 39.17 3hbw s PHE 137 CO 0.26 -0.60 0.12 0.95 -1.46 0.00 0.00 175.22 174.49 3hbw s THR 138 N 3.20 0.63 0.54 0.12 -4.23 -1.26 -0.77 115.64 113.87 3hbw s THR 138 Ca 0.38 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.10 3hbw s THR 138 Cb -0.14 -2.33 0.31 0.00 1.34 0.00 0.00 72.50 71.69 3hbw s THR 138 CO 0.12 0.00 2.14 -0.65 -0.54 0.00 0.00 174.62 175.69 3hbw h PRO 139 N 1.75 0.00 0.00 3.99 0.11 -1.93 -0.22 132.00 135.69 3hbw h PRO 139 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3hbw h PRO 139 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hbw h PRO 139 CO 0.58 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.76 3hbw n GLU 140 N -4.32 0.70 0.00 1.05 1.02 -1.26 -2.76 120.64 115.07 3hbw n GLU 140 Ca -0.01 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.26 3hbw n GLU 140 Cb 0.19 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.18 3hbw n GLU 140 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hbw s LYS 142 N -2.42 4.40 -0.09 0.00 1.02 -1.11 -4.31 119.74 117.23 3hbw s LYS 142 Ca 0.21 0.74 0.02 0.00 0.02 0.00 0.00 55.97 56.96 3hbw s LYS 142 Cb 0.19 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.07 3hbw s LYS 142 CO 0.53 0.10 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.84 3hbw s PHE 143 N 0.71 1.93 -0.01 3.18 0.08 -0.31 -3.40 117.98 120.16 3hbw s PHE 143 Ca 0.34 -0.82 -0.30 0.00 0.12 0.00 0.00 56.93 56.26 3hbw s PHE 143 Cb -0.17 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 3hbw s PHE 143 CO 0.16 -0.40 1.11 0.21 -0.10 0.00 0.00 175.22 176.20 3hbw s LYS 144 N 0.73 4.45 -0.16 0.44 2.20 0.41 -0.68 119.74 127.13 3hbw s LYS 144 Ca -0.12 1.59 -0.16 0.00 -0.36 0.00 0.00 55.97 56.92 3hbw s LYS 144 Cb -0.16 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 3hbw s LYS 144 CO 0.03 -0.26 0.38 -1.21 -0.36 0.00 0.00 175.35 173.92 3hbw s GLU 145 N 1.50 4.26 -0.04 4.03 2.02 0.62 -1.67 118.70 129.42 3hbw s GLU 145 Ca 0.54 0.23 0.02 0.00 0.02 0.00 0.00 54.97 55.78 3hbw s GLU 145 Cb -0.24 -3.46 0.01 0.00 0.10 0.00 0.00 34.13 30.54 3hbw s GLU 145 CO 0.25 0.13 -0.08 -1.12 0.02 0.00 0.00 175.26 174.46 3hbw s SER 146 N 0.69 1.21 0.20 -0.19 0.01 -0.07 -4.88 113.70 110.66 3hbw s SER 146 Ca 0.20 -0.19 -0.30 0.00 1.31 0.00 0.00 55.95 56.97 3hbw s SER 146 Cb -0.14 -0.47 -0.08 0.00 0.21 0.00 0.00 66.02 65.54 3hbw s SER 146 CO 0.07 0.02 0.97 0.68 0.41 0.00 0.00 173.24 175.38 3hbw s VAL 147 N 0.54 4.14 -0.06 3.43 -7.23 -1.26 0.60 120.40 120.57 3hbw s VAL 147 Ca -0.09 2.01 0.01 0.00 -1.81 0.00 0.00 61.98 62.10 3hbw s VAL 147 Cb -0.12 -4.28 0.02 0.00 0.56 0.00 0.00 36.38 32.56 3hbw s VAL 147 CO 0.01 0.42 -0.07 0.12 -0.31 0.00 0.00 175.10 175.27 3hbw s PHE 148 N -0.75 1.04 -1.48 2.82 5.36 0.20 -4.83 117.98 120.34 3hbw s PHE 148 Ca 0.44 -0.36 -0.07 0.00 -0.96 0.00 0.00 56.93 55.98 3hbw s PHE 148 Cb -0.26 -0.86 0.05 0.00 -0.34 0.00 0.00 43.02 41.62 3hbw s PHE 148 CO 0.32 -0.25 0.68 0.39 -1.46 0.00 0.00 175.22 174.90 3hbw n GLU 149 N 4.11 -4.08 0.00 10.12 1.02 -1.26 -1.51 120.64 129.04 3hbw n GLU 149 Ca -0.22 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3hbw n GLU 149 Cb 0.51 -4.99 0.00 0.00 -0.02 0.00 0.00 31.44 26.94 3hbw n GLU 149 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hbw n ASN 150 N -2.89 0.00 -0.01 1.62 4.13 -1.26 -4.24 115.26 112.60 3hbw n ASN 150 Ca -0.15 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.22 3hbw n ASN 150 Cb 0.61 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.68 3hbw n ASN 150 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3hbw n TYR 151 N 0.00 0.00 -3.44 3.10 4.02 -1.23 -5.00 117.16 114.61 3hbw n TYR 151 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 3hbw n TYR 151 Cb 0.00 -0.48 -0.00 0.00 -0.02 0.00 0.00 39.34 38.84 3hbw n TYR 151 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hbw s TYR 152 N -3.45 3.27 0.04 -0.72 2.02 -0.57 -4.57 117.35 113.37 3hbw s TYR 152 Ca -0.08 0.02 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 3hbw s TYR 152 Cb 0.13 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 3hbw s TYR 152 CO 0.87 0.01 -0.08 0.14 -1.57 0.00 0.00 175.55 174.92 3hbw s VAL 153 N -2.25 0.57 0.17 0.71 -7.23 -0.31 0.59 120.40 112.65 3hbw s VAL 153 Ca 0.43 -1.08 0.10 0.00 -1.81 0.00 0.00 61.98 59.61 3hbw s VAL 153 Cb -0.10 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 3hbw s VAL 153 CO 0.33 -0.36 -0.21 0.42 -0.31 0.00 0.00 175.10 174.96 3hbw s THR 154 N -1.36 2.03 -0.10 5.32 -4.23 0.20 -1.70 115.64 115.80 3hbw s THR 154 Ca -0.09 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3hbw s THR 154 Cb -0.10 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.84 3hbw s THR 154 CO 0.01 -0.19 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.48 3hbw s TYR 155 N -1.74 1.62 0.15 3.99 2.02 -1.26 -0.90 117.35 121.23 3hbw s TYR 155 Ca 0.16 -0.76 0.06 0.00 -0.37 0.00 0.00 57.07 56.17 3hbw s TYR 155 Cb -0.07 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 3hbw s TYR 155 CO 0.07 -0.46 -0.14 -1.54 -1.57 0.00 0.00 175.55 171.92 3hbw s SER 156 N 1.27 2.13 0.47 2.29 1.04 -0.67 -1.07 113.70 119.16 3hbw s SER 156 Ca -0.02 -0.90 -0.24 0.00 0.48 0.00 0.00 55.95 55.26 3hbw s SER 156 Cb -0.14 -0.08 -0.07 0.00 0.10 0.00 0.00 66.02 65.83 3hbw s SER 156 CO -0.04 -0.18 1.36 -0.55 0.98 0.00 0.00 173.24 174.81 3hbw s SER 157 N -2.80 5.83 0.12 7.02 0.15 -0.32 -0.44 113.70 123.27 3hbw s SER 157 Ca 0.14 2.77 0.23 0.00 0.70 0.00 0.00 55.95 59.80 3hbw s SER 157 Cb -0.03 -2.64 0.14 0.00 -1.71 0.00 0.00 66.02 61.78 3hbw s SER 157 CO 0.04 -1.19 1.13 0.23 1.20 0.00 0.00 173.24 174.64 3hbw n MET 158 N -0.37 0.40 -0.00 5.44 2.81 -1.22 -4.46 117.12 119.73 3hbw n MET 158 Ca 0.06 0.07 0.01 0.00 -1.81 0.00 0.00 57.70 56.03 3hbw n MET 158 Cb 0.43 -1.70 -0.02 0.00 -0.71 0.00 0.00 33.22 31.22 3hbw n MET 158 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3hbw n ILE 159 N -2.25 0.00 -4.71 2.02 -5.35 -1.26 -5.04 119.36 102.76 3hbw n ILE 159 Ca 0.02 -0.08 -0.31 0.00 -0.27 0.00 0.00 62.75 62.10 3hbw n ILE 159 Cb 0.48 0.47 -0.13 0.00 -1.74 0.00 0.00 39.64 38.72 3hbw n ILE 159 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3hbw s TYR 160 N -2.13 2.62 0.18 4.28 2.02 -1.26 -5.11 117.35 117.94 3hbw s TYR 160 Ca -0.01 -0.21 -0.24 0.00 -0.37 0.00 0.00 57.07 56.24 3hbw s TYR 160 Cb 0.02 -1.52 0.06 0.00 -0.40 0.00 0.00 41.96 40.12 3hbw s TYR 160 CO 0.11 0.24 0.94 -0.98 -1.57 0.00 0.00 175.55 174.29 3hbw s ARG 161 N -1.25 1.32 0.11 -0.62 1.70 -1.26 -3.96 118.95 114.98 3hbw s ARG 161 Ca 0.14 -0.75 -0.31 0.00 -0.47 0.00 0.00 55.73 54.34 3hbw s ARG 161 Cb -0.11 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.62 3hbw s ARG 161 CO 0.04 -0.61 1.62 -0.65 -1.08 0.00 0.00 175.30 174.62 3hbw s GLN 162 N -3.17 4.21 0.56 3.89 -1.52 0.46 -4.90 119.66 119.18 3hbw s GLN 162 Ca 0.13 2.34 0.36 0.00 -1.95 0.00 0.00 55.36 56.24 3hbw s GLN 162 Cb -0.02 -3.41 1.57 0.00 -0.22 0.00 0.00 33.01 30.93 3hbw s GLN 162 CO 0.04 -0.68 2.05 -0.56 -0.25 0.00 0.00 175.29 175.89 3hbw h GLN 163 N 7.69 0.00 0.00 2.91 3.07 -1.96 0.63 115.11 127.45 3hbw h GLN 163 Ca -0.43 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.11 3hbw h GLN 163 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.73 3hbw h GLN 163 CO 0.92 0.00 -1.24 0.00 0.09 0.00 0.00 178.83 178.60 3hbw n GLN 164 N -3.05 0.54 -0.01 0.06 10.64 -1.26 -4.65 117.38 119.65 3hbw n GLN 164 Ca -0.00 0.53 0.10 0.00 -1.83 0.00 0.00 57.00 55.79 3hbw n GLN 164 Cb 0.25 -1.70 -0.16 0.00 -0.86 0.00 0.00 30.24 27.77 3hbw n GLN 164 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3hbw n SER 165 N -4.45 0.06 0.00 2.61 3.41 -1.25 -4.97 113.62 109.04 3hbw n SER 165 Ca -0.29 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3hbw n SER 165 Cb 0.62 1.82 0.00 0.00 -0.26 0.00 0.00 64.21 66.38 3hbw n SER 165 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbw n GLY 166 N 1.29 0.71 3.73 5.00 0.00 0.21 -5.00 105.19 111.12 3hbw n GLY 166 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3hbw n GLY 166 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hbw s ARG 167 N -0.31 4.17 0.91 1.61 3.00 -1.26 -4.56 118.95 122.51 3hbw s ARG 167 Ca 0.00 2.49 -0.12 0.00 0.00 0.00 0.00 55.73 58.11 3hbw s ARG 167 Cb 0.00 -3.09 0.14 0.00 0.00 0.00 0.00 34.95 32.00 3hbw s ARG 167 CO 0.00 -0.65 1.09 0.20 0.00 0.00 0.00 175.30 175.95 3hbw s GLY 168 N 0.92 1.61 -0.16 -3.53 0.00 -1.26 -0.41 107.32 104.49 3hbw s GLY 168 Ca 0.69 -0.07 -0.05 0.00 0.00 0.00 0.00 44.72 45.30 3hbw s GLY 168 CO 0.37 0.43 -0.01 -0.98 0.00 0.00 0.00 173.10 172.91 3hbw s TRP 169 N -2.92 3.09 0.24 1.90 0.52 -1.25 -4.78 118.94 115.74 3hbw s TRP 169 Ca 0.64 -0.18 0.10 0.00 0.02 0.00 0.00 56.10 56.68 3hbw s TRP 169 Cb -0.18 -1.98 -0.05 0.00 -1.15 0.00 0.00 33.47 30.10 3hbw s TRP 169 CO 0.57 0.03 -0.19 0.71 0.02 0.00 0.00 176.95 178.10 3hbw s TYR 170 N 0.32 2.09 0.07 -1.98 1.51 -0.61 -1.17 117.35 117.57 3hbw s TYR 170 Ca -0.02 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 3hbw s TYR 170 Cb -0.14 -0.95 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 3hbw s TYR 170 CO 0.02 0.56 1.12 -1.17 -1.11 0.00 0.00 175.55 174.97 3hbw s LEU 171 N -3.27 4.40 0.06 -1.29 2.96 -0.23 -4.06 118.68 117.24 3hbw s LEU 171 Ca 0.25 1.94 -0.25 0.00 -0.22 0.00 0.00 54.13 55.85 3hbw s LEU 171 Cb -0.04 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.13 3hbw s LEU 171 CO 0.11 -0.37 0.60 -0.83 -1.32 0.00 0.00 176.35 174.55 3hbw s GLY 172 N 0.81 -0.55 -0.04 7.98 0.00 -1.26 -4.45 107.32 109.80 3hbw s GLY 172 Ca 0.55 0.78 0.05 0.00 0.00 0.00 0.00 44.72 46.10 3hbw s GLY 172 CO 0.30 0.45 -0.19 1.08 0.00 0.00 0.00 173.10 174.74 3hbw s LEU 173 N -2.03 1.96 0.00 0.66 1.43 -0.92 -1.48 118.68 118.30 3hbw s LEU 173 Ca -0.05 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 3hbw s LEU 173 Cb -0.01 -1.06 0.14 0.00 0.03 0.00 0.00 46.19 45.30 3hbw s LEU 173 CO -0.02 0.18 0.74 -0.46 0.23 0.00 0.00 176.35 177.02 3hbw n ASN 174 N 3.04 -0.28 0.23 2.29 0.23 -0.29 -4.49 115.26 115.99 3hbw n ASN 174 Ca -0.18 -1.20 0.16 0.00 -0.53 0.00 0.00 54.58 52.84 3hbw n ASN 174 Cb 0.53 -0.58 0.76 0.00 -2.08 0.00 0.00 39.78 38.41 3hbw n ASN 174 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3hbw h LYS 175 N 0.00 0.00 -0.22 -3.83 1.57 -1.90 -0.53 116.57 111.66 3hbw h LYS 175 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3hbw h LYS 175 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3hbw h LYS 175 CO 0.17 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.44 3hbw n GLU 176 N -2.71 2.10 -2.00 3.15 -0.58 -1.26 -4.93 120.64 114.42 3hbw n GLU 176 Ca -0.00 -1.65 -0.07 0.00 -0.42 0.00 0.00 57.16 55.02 3hbw n GLU 176 Cb 0.17 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 3hbw n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hbw n GLY 177 N 1.31 0.21 3.76 0.62 0.00 -0.21 -4.92 105.19 105.95 3hbw n GLY 177 Ca 0.17 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 3hbw n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hbw s GLU 178 N -4.08 3.10 0.29 1.61 2.02 -1.26 -0.47 118.70 119.91 3hbw s GLU 178 Ca 0.00 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 3hbw s GLU 178 Cb 0.00 -2.90 -0.10 0.00 0.10 0.00 0.00 34.13 31.23 3hbw s GLU 178 CO 0.00 0.70 1.41 -1.50 0.02 0.00 0.00 175.26 175.89 3hbw s ILE 179 N -1.01 2.60 0.30 -1.63 1.10 -1.26 -1.14 121.20 120.16 3hbw s ILE 179 Ca 0.17 0.54 0.08 0.00 -0.51 0.00 0.00 60.65 60.92 3hbw s ILE 179 Cb -0.12 -3.35 -0.03 0.00 0.15 0.00 0.00 42.46 39.11 3hbw s ILE 179 CO 0.06 0.10 0.22 -0.04 -2.11 0.00 0.00 174.94 173.17 3hbw s MET 180 N -0.94 2.71 0.26 3.50 -1.94 -0.55 -4.89 119.30 117.44 3hbw s MET 180 Ca 0.56 -1.26 -0.30 0.00 -1.71 0.00 0.00 55.69 52.98 3hbw s MET 180 Cb -0.42 -2.44 -0.09 0.00 2.01 0.00 0.00 34.83 33.89 3hbw s MET 180 CO 0.48 0.22 1.14 0.15 -0.01 0.00 0.00 175.02 177.00 3hbw s LYS 181 N -3.90 4.58 0.28 2.03 1.02 -1.26 -4.63 119.74 117.86 3hbw s LYS 181 Ca 0.37 1.85 0.02 0.00 0.02 0.00 0.00 55.97 58.23 3hbw s LYS 181 Cb -0.06 -3.19 0.61 0.00 -0.52 0.00 0.00 37.83 34.66 3hbw s LYS 181 CO 0.25 0.10 1.78 0.78 -0.92 0.00 0.00 175.35 177.34 3hbw h GLY 182 N 4.16 1.56 1.47 -3.33 0.00 -0.52 -0.86 103.07 105.56 3hbw h GLY 182 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3hbw h GLY 182 CO 0.69 -0.02 0.00 1.16 0.00 0.00 0.00 176.54 178.36 3hbw n ASN 183 N -4.80 0.00 -0.00 0.19 0.23 -1.26 -1.58 115.26 108.04 3hbw n ASN 183 Ca 0.20 -0.12 0.09 0.00 -0.53 0.00 0.00 54.58 54.22 3hbw n ASN 183 Cb 0.47 -0.24 -0.12 0.00 -2.08 0.00 0.00 39.78 37.82 3hbw n ASN 183 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3hbw n HIS 184 N -1.24 0.00 -3.43 -2.53 8.25 -0.34 -4.89 115.22 111.04 3hbw n HIS 184 Ca 0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.17 3hbw n HIS 184 Cb 0.15 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 3hbw n HIS 184 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hbw s VAL 185 N -2.92 5.20 0.00 1.59 1.01 -1.00 -5.00 120.40 119.29 3hbw s VAL 185 Ca 0.07 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 3hbw s VAL 185 Cb 0.15 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3hbw s VAL 185 CO 0.82 0.06 0.33 -0.54 0.00 0.00 0.00 175.10 175.77 3hbw s LYS 186 N 1.98 3.72 0.48 2.72 1.02 -1.26 -3.96 119.74 124.44 3hbw s LYS 186 Ca 0.12 0.16 0.18 0.00 0.02 0.00 0.00 55.97 56.45 3hbw s LYS 186 Cb -0.16 -3.13 1.19 0.00 -0.52 0.00 0.00 37.83 35.21 3hbw s LYS 186 CO 0.11 0.66 2.00 -0.22 -0.92 0.00 0.00 175.35 176.99 3hbw h LYS 187 N 4.35 0.21 -0.20 1.68 3.64 -1.97 -2.06 116.57 122.22 3hbw h LYS 187 Ca -0.51 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3hbw h LYS 187 Cb 1.21 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3hbw h LYS 187 CO 0.63 0.14 0.00 0.27 -2.27 0.00 0.00 179.45 178.22 3hbw n ASN 188 N -4.45 2.00 -4.89 4.20 6.94 -1.26 -4.84 115.26 112.96 3hbw n ASN 188 Ca 0.08 -1.76 -0.35 0.00 -0.02 0.00 0.00 54.58 52.53 3hbw n ASN 188 Cb 0.43 -0.12 -0.05 0.00 -2.36 0.00 0.00 39.78 37.67 3hbw n ASN 188 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3hbw s LYS 189 N -1.75 3.45 0.53 -3.83 1.02 -0.77 -4.99 119.74 113.39 3hbw s LYS 189 Ca 0.33 -0.22 0.32 0.00 0.02 0.00 0.00 55.97 56.42 3hbw s LYS 189 Cb 0.18 -3.14 1.47 0.00 -0.52 0.00 0.00 37.83 35.83 3hbw s LYS 189 CO 0.27 0.72 1.86 -1.35 -0.92 0.00 0.00 175.35 175.93 3hbw h PRO 190 N 4.32 0.04 -0.77 -1.68 0.11 -1.90 -0.72 132.00 131.40 3hbw h PRO 190 Ca -0.52 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.74 3hbw h PRO 190 Cb 1.21 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3hbw h PRO 190 CO 0.64 0.03 0.51 0.00 -0.21 0.00 0.00 178.00 178.97 3hbw h ALA 191 N 1.52 2.09 -0.00 -0.75 0.00 -1.88 -1.25 119.26 118.97 3hbw h ALA 191 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3hbw h ALA 191 Cb 1.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3hbw h ALA 191 CO -0.03 -0.30 -0.33 0.00 0.00 0.00 0.00 179.25 178.60 3hbw n ALA 192 N -2.51 3.18 -2.71 0.00 0.00 -0.28 -2.16 120.51 116.02 3hbw n ALA 192 Ca 0.15 -0.32 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 3hbw n ALA 192 Cb 0.52 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 3hbw n ALA 192 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hbw s HIS 193 N -2.81 3.50 -0.03 0.00 3.76 -0.47 -4.35 115.29 114.88 3hbw s HIS 193 Ca 0.17 0.90 0.04 0.00 -0.15 0.00 0.00 55.06 56.03 3hbw s HIS 193 Cb 0.18 -2.59 -0.00 0.00 1.11 0.00 0.00 32.58 31.28 3hbw s HIS 193 CO 0.61 0.12 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.40 3hbw s PHE 194 N 0.80 1.55 -0.43 1.40 0.40 -0.69 -0.66 117.98 120.34 3hbw s PHE 194 Ca 0.27 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 56.05 3hbw s PHE 194 Cb -0.15 -1.04 0.05 0.00 0.51 0.00 0.00 43.02 42.39 3hbw s PHE 194 CO 0.11 -0.12 0.32 -1.17 0.70 0.00 0.00 175.22 175.06 3hbw s LEU 195 N -0.04 5.28 0.27 -0.37 2.96 0.12 -1.16 118.68 125.73 3hbw s LEU 195 Ca -0.01 -1.17 -0.29 0.00 -0.22 0.00 0.00 54.13 52.43 3hbw s LEU 195 Cb -0.10 -2.13 -0.09 0.00 0.50 0.00 0.00 46.19 44.37 3hbw s LEU 195 CO 0.01 -0.53 1.21 -2.16 -1.32 0.00 0.00 176.35 173.55 3hbw s PRO 196 N 1.61 4.50 -0.63 0.98 0.04 -1.26 -1.70 135.00 138.54 3hbw s PRO 196 Ca 0.04 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.10 3hbw s PRO 196 Cb -0.22 -3.16 0.16 0.00 0.04 0.00 0.00 34.50 31.32 3hbw s PRO 196 CO 0.07 -0.02 0.41 0.15 0.04 0.00 0.00 177.00 177.65 3hbw s LYS 197 N -1.16 2.19 0.52 4.56 1.02 -0.05 -4.94 119.74 121.88 3hbw s LYS 197 Ca 0.49 -3.02 -0.22 0.00 0.02 0.00 0.00 55.97 53.24 3hbw s LYS 197 Cb -0.35 -3.24 -0.07 0.00 -0.52 0.00 0.00 37.83 33.66 3hbw s LYS 197 CO 0.43 -1.24 1.19 -2.30 -0.92 0.00 0.00 175.35 172.51 3hbw n PRO 198 N 2.40 1.47 -0.09 -1.68 -0.02 -1.26 -1.89 135.00 133.93 3hbw n PRO 198 Ca 0.16 0.54 -0.16 0.00 -2.02 0.00 0.00 63.50 62.02 3hbw n PRO 198 Cb 0.35 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.40 3hbw n PRO 198 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3hbw n LEU 199 N -0.50 2.11 -3.58 2.45 7.94 0.12 -4.90 117.00 120.64 3hbw n LEU 199 Ca 0.10 0.07 -0.05 0.00 -1.11 0.00 0.00 56.01 55.02 3hbw n LEU 199 Cb 0.44 -0.56 -0.02 0.00 0.53 0.00 0.00 43.42 43.80 3hbw n LEU 199 CO 0.54 0.57 0.96 -1.59 -1.11 0.00 0.00 177.39 176.76 3hbw s LYS 200 N -2.33 0.38 0.28 1.96 -2.85 -1.09 -5.01 119.74 111.08 3hbw s LYS 200 Ca -0.24 -0.11 -0.15 0.00 -1.00 0.00 0.00 55.97 54.47 3hbw s LYS 200 Cb 0.08 0.18 -0.08 0.00 -2.06 0.00 0.00 37.83 35.94 3hbw s LYS 200 CO 0.35 -0.16 0.69 0.08 0.10 0.00 0.00 175.35 176.41 3hbw s VAL 201 N -2.31 4.71 0.19 1.79 1.01 -1.26 -0.35 120.40 124.17 3hbw s VAL 201 Ca 0.08 0.92 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 3hbw s VAL 201 Cb -0.01 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3hbw s VAL 201 CO -0.05 -0.08 0.39 0.00 0.00 0.00 0.00 175.10 175.35 3hbw s ALA 202 N -1.86 -0.31 -0.11 5.51 0.00 -0.05 -4.87 121.76 120.07 3hbw s ALA 202 Ca 0.50 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 3hbw s ALA 202 Cb -0.12 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 3hbw s ALA 202 CO 0.19 -0.73 0.09 -1.64 0.00 0.00 0.00 175.76 173.67 3hbw s MET 203 N -3.95 3.33 0.08 0.00 -1.94 -1.26 0.42 119.30 115.98 3hbw s MET 203 Ca 0.16 -0.23 0.05 0.00 -1.71 0.00 0.00 55.69 53.95 3hbw s MET 203 Cb 0.01 -3.07 -0.03 0.00 2.01 0.00 0.00 34.83 33.76 3hbw s MET 203 CO 0.01 0.72 -0.12 0.71 -0.01 0.00 0.00 175.02 176.32 3hbw s TYR 204 N -0.88 1.12 0.05 -0.03 1.51 0.17 -4.92 117.35 114.38 3hbw s TYR 204 Ca 0.14 -0.51 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 3hbw s TYR 204 Cb -0.12 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 3hbw s TYR 204 CO 0.03 0.03 0.97 0.21 -1.11 0.00 0.00 175.55 175.68 3hbw s LYS 205 N -1.99 4.62 0.01 -0.62 2.20 -1.12 -0.20 119.74 122.64 3hbw s LYS 205 Ca -0.01 1.42 -0.30 0.00 -0.36 0.00 0.00 55.97 56.72 3hbw s LYS 205 Cb -0.08 -3.42 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 3hbw s LYS 205 CO 0.02 0.07 2.00 -1.91 -0.36 0.00 0.00 175.35 175.17 3hbw n GLU 206 N 3.38 2.75 -1.63 4.03 2.13 -1.25 -4.77 120.64 125.29 3hbw n GLU 206 Ca 0.04 0.99 -0.46 0.00 0.66 0.00 0.00 57.16 58.39 3hbw n GLU 206 Cb 0.50 -3.02 -0.03 0.00 0.27 0.00 0.00 31.44 29.17 3hbw n GLU 206 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3hbw n PRO 207 N 7.62 1.64 -2.17 5.31 -0.02 -1.26 -4.58 135.00 141.53 3hbw n PRO 207 Ca 0.21 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 3hbw n PRO 207 Cb 0.41 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 3hbw n PRO 207 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hbw s SER 208 N -0.02 6.80 -0.11 2.55 0.15 -1.26 -4.98 113.70 116.83 3hbw s SER 208 Ca 0.67 2.14 -0.21 0.00 0.70 0.00 0.00 55.95 59.25 3hbw s SER 208 Cb -0.72 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.00 3hbw s SER 208 CO 0.54 -0.77 0.61 -0.22 1.20 0.00 0.00 173.24 174.59 3hbw s LEU 209 N 2.76 4.26 -0.05 3.45 2.96 -1.26 -4.12 118.68 126.69 3hbw s LEU 209 Ca 0.66 0.98 0.06 0.00 -0.22 0.00 0.00 54.13 55.61 3hbw s LEU 209 Cb -0.32 -2.90 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 3hbw s LEU 209 CO 0.27 -0.11 -0.23 -1.00 -1.32 0.00 0.00 176.35 173.96 3hbw s HIS 210 N 0.98 2.46 0.83 5.38 3.76 0.05 -5.02 115.29 123.74 3hbw s HIS 210 Ca 0.31 -0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 54.60 3hbw s HIS 210 Cb -0.16 -1.58 0.09 0.00 1.11 0.00 0.00 32.58 32.04 3hbw s HIS 210 CO 0.14 -0.08 1.10 -0.51 -0.85 0.00 0.00 174.74 174.53 3hbw s ASP 211 N -0.41 3.95 0.00 1.40 1.01 -1.26 -4.04 116.67 117.31 3hbw s ASP 211 Ca 0.04 1.81 0.32 0.00 0.71 0.00 0.00 52.55 55.43 3hbw s ASP 211 Cb -0.12 -2.46 1.91 0.00 1.01 0.00 0.00 42.92 43.26 3hbw s ASP 211 CO 0.01 -2.39 2.23 0.18 0.21 0.00 0.00 175.17 175.41