#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhu n MET 66 N 0.00 0.00 -3.61 0.00 -0.00 -1.26 -5.05 117.12 107.20 2jhu n MET 66 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.70 57.30 2jhu n MET 66 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 33.22 33.12 2jhu n MET 66 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2jhu s VAL 67 N 0.00 4.15 0.79 3.17 1.01 -1.26 -5.12 120.40 123.14 2jhu s VAL 67 Ca 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.39 2jhu s VAL 67 Cb 0.00 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.88 2jhu s VAL 67 CO 0.00 -0.53 1.14 -2.84 0.00 0.00 0.00 175.10 172.87 2jhu s PRO 68 N 1.40 1.93 0.15 2.72 0.02 -1.26 -4.95 135.00 135.01 2jhu s PRO 68 Ca 0.03 1.49 -0.16 0.00 0.02 0.00 0.00 61.00 62.38 2jhu s PRO 68 Cb -0.23 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.47 2jhu s PRO 68 CO 0.01 -1.94 1.77 -0.97 -0.33 0.00 0.00 177.00 175.54 2jhu h ASN 69 N -0.94 0.53 -3.32 2.53 -1.24 -1.96 -3.42 115.58 107.75 2jhu h ASN 69 Ca -0.45 -0.08 -0.66 0.00 0.71 0.00 0.00 56.30 55.82 2jhu h ASN 69 Cb 1.26 -0.13 -0.29 0.00 0.73 0.00 0.00 38.32 39.89 2jhu h ASN 69 CO 0.48 0.45 -0.81 -0.69 -1.29 0.00 0.00 177.43 175.58 2jhu s VAL 70 N -5.91 2.69 -0.14 2.57 1.01 -1.26 -0.07 120.40 119.29 2jhu s VAL 70 Ca -0.13 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 2jhu s VAL 70 Cb 0.11 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.42 2jhu s VAL 70 CO 0.74 0.54 -0.07 -0.69 0.00 0.00 0.00 175.10 175.62 2jhu s VAL 71 N 0.38 1.08 -0.20 2.92 1.01 -0.64 -4.98 120.40 119.97 2jhu s VAL 71 Ca -0.13 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 2jhu s VAL 71 Cb -0.17 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2jhu s VAL 71 CO 0.06 0.27 0.86 -0.69 0.00 0.00 0.00 175.10 175.60 2jhu s VAL 72 N 1.67 4.84 -0.07 2.92 1.01 -1.26 -0.31 120.40 129.19 2jhu s VAL 72 Ca 0.03 1.66 0.14 0.00 0.00 0.00 0.00 61.98 63.81 2jhu s VAL 72 Cb -0.14 -4.15 -0.20 0.00 0.00 0.00 0.00 36.38 31.89 2jhu s VAL 72 CO -0.08 -0.03 0.20 0.35 0.00 0.00 0.00 175.10 175.53 2jhu n THR 73 N 4.99 0.44 -3.52 3.92 -2.24 0.01 -4.40 114.28 113.48 2jhu n THR 73 Ca 0.06 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 2jhu n THR 73 Cb 0.48 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 2jhu n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jhu s GLY 74 N -4.18 -0.46 -0.04 3.38 0.00 -1.12 -0.94 107.32 103.96 2jhu s GLY 74 Ca -0.06 1.37 0.06 0.00 0.00 0.00 0.00 44.72 46.09 2jhu s GLY 74 CO 0.60 0.75 -0.23 -2.27 0.00 0.00 0.00 173.10 171.95 2jhu s LEU 75 N -1.62 2.03 -0.02 0.66 0.20 -0.67 -0.87 118.68 118.38 2jhu s LEU 75 Ca -0.03 -0.44 0.02 0.00 0.69 0.00 0.00 54.13 54.36 2jhu s LEU 75 Cb -0.00 -1.21 0.01 0.00 -0.43 0.00 0.00 46.19 44.55 2jhu s LEU 75 CO 0.01 0.24 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.36 2jhu s THR 76 N -0.28 0.50 -0.35 3.68 2.01 -0.17 -0.06 115.64 120.97 2jhu s THR 76 Ca 0.02 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.60 2jhu s THR 76 Cb -0.11 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2jhu s THR 76 CO 0.01 0.17 0.71 -0.76 -0.69 0.00 0.00 174.62 174.07 2jhu s LEU 77 N 0.32 4.18 -0.41 4.42 1.43 -0.09 -0.30 118.68 128.23 2jhu s LEU 77 Ca -0.04 0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 53.14 2jhu s LEU 77 Cb -0.08 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.25 2jhu s LEU 77 CO -0.00 -0.64 0.78 -0.69 0.23 0.00 0.00 176.35 176.03 2jhu s VAL 78 N 2.88 4.69 -0.24 -1.59 1.01 0.25 -4.60 120.40 122.80 2jhu s VAL 78 Ca 0.28 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.84 2jhu s VAL 78 Cb -0.14 -4.27 0.12 0.00 0.00 0.00 0.00 36.38 32.09 2jhu s VAL 78 CO 0.15 -0.59 0.28 0.00 0.00 0.00 0.00 175.10 174.94 2jhu h SER 80 N 8.26 0.68 1.18 0.00 0.02 -1.94 -2.44 113.55 119.31 2jhu h SER 80 Ca -0.17 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 2jhu h SER 80 Cb 1.13 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2jhu h SER 80 CO 0.29 0.38 -0.20 0.28 -1.14 0.00 0.00 176.83 176.45 2jhu h SER 81 N 0.74 0.00 -3.55 3.07 0.02 -1.96 -3.46 113.55 108.42 2jhu h SER 81 Ca 0.41 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.83 2jhu h SER 81 Cb 0.55 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.14 2jhu h SER 81 CO -0.17 0.20 0.68 0.00 -1.14 0.00 0.00 176.83 176.39 2jhu s ALA 82 N -3.49 3.55 -0.79 3.77 0.00 -0.92 -4.91 121.76 118.96 2jhu s ALA 82 Ca 0.02 1.22 0.26 0.00 0.00 0.00 0.00 51.96 53.46 2jhu s ALA 82 Cb 0.09 -3.50 0.94 0.00 0.00 0.00 0.00 23.12 20.65 2jhu s ALA 82 CO 0.64 -0.62 1.80 -0.35 0.00 0.00 0.00 175.76 177.23 2jhu n PRO 83 N 1.92 0.17 -4.27 0.00 -0.04 -1.26 -4.91 135.00 126.61 2jhu n PRO 83 Ca 0.04 0.18 -0.17 0.00 -0.04 0.00 0.00 63.50 63.51 2jhu n PRO 83 Cb 0.42 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 2jhu n PRO 83 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2jhu s GLY 84 N -3.39 2.05 0.60 0.55 0.00 -1.26 -5.15 107.32 100.73 2jhu s GLY 84 Ca 0.11 -1.93 -0.18 0.00 0.00 0.00 0.00 44.72 42.72 2jhu s GLY 84 CO 0.54 -1.47 1.16 2.56 0.00 0.00 0.00 173.10 175.89 2jhu s PRO 85 N -3.69 3.01 -0.46 2.90 0.04 -1.26 -5.00 135.00 130.53 2jhu s PRO 85 Ca 0.40 1.65 0.06 0.00 0.04 0.00 0.00 61.00 63.15 2jhu s PRO 85 Cb 0.04 -1.95 0.22 0.00 0.04 0.00 0.00 34.50 32.84 2jhu s PRO 85 CO 0.22 -1.14 0.49 1.28 0.04 0.00 0.00 177.00 177.90 2jhu n LEU 86 N -1.75 0.71 -4.00 -3.56 4.77 -1.26 -5.08 117.00 106.83 2jhu n LEU 86 Ca 0.12 -4.74 -0.20 0.00 -0.03 0.00 0.00 56.01 51.16 2jhu n LEU 86 Cb 0.51 0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 41.75 2jhu n LEU 86 CO 0.44 1.97 -0.43 -1.61 -1.33 0.00 0.00 177.39 176.44 2jhu s GLU 87 N -0.99 0.90 -0.18 3.23 2.02 -1.26 -0.91 118.70 121.50 2jhu s GLU 87 Ca 0.34 -0.29 -0.05 0.00 0.02 0.00 0.00 54.97 54.99 2jhu s GLU 87 Cb 0.11 -0.85 -0.03 0.00 0.10 0.00 0.00 34.13 33.46 2jhu s GLU 87 CO -0.13 0.11 -0.01 -0.51 0.02 0.00 0.00 175.26 174.74 2jhu s LEU 88 N 0.17 3.31 -0.40 1.80 1.43 0.91 -5.00 118.68 120.90 2jhu s LEU 88 Ca -0.03 -0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 52.70 2jhu s LEU 88 Cb -0.08 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.33 2jhu s LEU 88 CO 0.00 0.12 0.77 -0.62 0.23 0.00 0.00 176.35 176.85 2jhu s ASP 89 N 0.68 6.48 0.00 2.29 -1.08 -1.26 -1.67 116.67 122.11 2jhu s ASP 89 Ca -0.01 0.13 0.21 0.00 -0.52 0.00 0.00 52.55 52.37 2jhu s ASP 89 Cb -0.14 -2.39 0.70 0.00 -1.46 0.00 0.00 42.92 39.63 2jhu s ASP 89 CO 0.02 -0.80 1.52 0.18 0.52 0.00 0.00 175.17 176.61 2jhu n LEU 90 N 6.53 1.96 -0.27 -1.34 4.77 -0.11 -2.59 117.00 125.94 2jhu n LEU 90 Ca 0.02 -0.81 0.14 0.00 -0.03 0.00 0.00 56.01 55.33 2jhu n LEU 90 Cb 0.48 -0.12 0.50 0.00 -2.33 0.00 0.00 43.42 41.95 2jhu n LEU 90 CO 0.56 0.41 0.78 0.35 -1.33 0.00 0.00 177.39 178.16 2jhu n THR 91 N 0.52 0.00 -1.99 -5.08 -2.24 -1.25 -4.82 114.28 99.42 2jhu n THR 91 Ca 0.17 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2jhu n THR 91 Cb 0.38 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 2jhu n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jhu n GLY 92 N 1.26 1.36 3.57 3.38 0.00 -1.07 -5.02 105.19 108.68 2jhu n GLY 92 Ca 0.15 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 2jhu n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jhu s ASP 93 N -1.00 6.02 0.48 1.61 -1.08 -1.26 -4.88 116.67 116.55 2jhu s ASP 93 Ca 0.00 0.29 0.17 0.00 -0.52 0.00 0.00 52.55 52.49 2jhu s ASP 93 Cb 0.00 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 40.05 2jhu s ASP 93 CO 0.00 -1.80 2.05 -0.07 0.52 0.00 0.00 175.17 175.87 2jhu h LEU 94 N 13.52 0.00 -1.86 -1.34 3.38 -1.92 -2.67 115.31 124.41 2jhu h LEU 94 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2jhu h LEU 94 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jhu h LEU 94 CO 1.18 0.13 -0.13 -0.08 0.09 0.00 0.00 178.44 179.63 2jhu h GLU 95 N 0.00 0.00 0.00 1.13 4.57 -1.93 -2.89 114.58 115.46 2jhu h GLU 95 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2jhu h GLU 95 Cb 0.24 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2jhu h GLU 95 CO 0.02 0.13 -0.20 0.77 -1.18 0.00 0.00 179.01 178.55 2jhu h SER 96 N 0.00 0.00 0.30 1.04 0.02 -1.86 -2.64 113.55 110.41 2jhu h SER 96 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2jhu h SER 96 Cb 0.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2jhu h SER 96 CO 0.02 0.20 -0.07 -0.26 -1.14 0.00 0.00 176.83 175.58 2jhu h PHE 97 N 0.00 0.00 0.00 3.45 0.04 -1.69 -2.97 116.94 115.76 2jhu h PHE 97 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2jhu h PHE 97 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 2jhu h PHE 97 CO 0.00 0.07 -0.21 0.87 -0.60 0.00 0.00 178.31 178.44 2jhu h LYS 98 N 0.00 0.00 -0.64 1.51 1.57 -1.64 -1.90 116.57 115.46 2jhu h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jhu h LYS 98 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2jhu h LYS 98 CO 0.01 0.21 0.00 1.63 -0.57 0.00 0.00 179.45 180.73 2jhu n LYS 99 N -4.09 2.70 -4.19 3.15 4.76 -1.12 -4.93 118.16 114.42 2jhu n LYS 99 Ca -0.02 -2.54 -0.24 0.00 -2.87 0.00 0.00 58.31 52.64 2jhu n LYS 99 Cb 0.28 -1.53 -0.07 0.00 -1.84 0.00 0.00 35.03 31.87 2jhu n LYS 99 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2jhu s GLN 100 N -1.07 2.25 -0.09 1.97 -0.21 -0.71 -5.15 119.66 116.65 2jhu s GLN 100 Ca 0.45 -1.64 -0.19 0.00 0.02 0.00 0.00 55.36 54.00 2jhu s GLN 100 Cb 0.24 -2.07 0.04 0.00 1.00 0.00 0.00 33.01 32.22 2jhu s GLN 100 CO 0.31 0.11 0.45 0.45 -2.12 0.00 0.00 175.29 174.49 2jhu s SER 101 N -3.80 -0.40 0.07 5.90 0.15 -1.26 -4.18 113.70 110.18 2jhu s SER 101 Ca 0.37 0.56 -0.25 0.00 0.70 0.00 0.00 55.95 57.33 2jhu s SER 101 Cb -0.01 0.62 -0.06 0.00 -1.71 0.00 0.00 66.02 64.86 2jhu s SER 101 CO 0.21 -0.36 0.76 -0.36 1.20 0.00 0.00 173.24 174.69 2jhu s PHE 102 N -0.66 3.78 -0.16 3.44 0.08 -0.51 -4.91 117.98 119.03 2jhu s PHE 102 Ca -0.08 1.50 -0.12 0.00 0.12 0.00 0.00 56.93 58.35 2jhu s PHE 102 Cb -0.03 -2.80 -0.05 0.00 -0.57 0.00 0.00 43.02 39.57 2jhu s PHE 102 CO 0.04 0.34 0.23 0.08 -0.10 0.00 0.00 175.22 175.81 2jhu s VAL 103 N -0.33 5.34 -0.02 -0.44 1.01 -1.26 -0.02 120.40 124.68 2jhu s VAL 103 Ca 0.38 0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.84 2jhu s VAL 103 Cb -0.21 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2jhu s VAL 103 CO 0.24 0.44 -0.21 -0.76 0.00 0.00 0.00 175.10 174.80 2jhu s LEU 104 N 0.22 2.03 0.31 3.92 1.43 -0.49 -4.95 118.68 121.14 2jhu s LEU 104 Ca 0.14 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 2jhu s LEU 104 Cb -0.12 -1.12 -0.10 0.00 0.03 0.00 0.00 46.19 44.88 2jhu s LEU 104 CO 0.02 0.25 1.33 -0.75 0.23 0.00 0.00 176.35 177.43 2jhu s LYS 105 N -0.40 4.34 0.32 1.70 2.20 -1.26 -1.50 119.74 125.14 2jhu s LYS 105 Ca 0.05 2.22 -0.28 0.00 -0.36 0.00 0.00 55.97 57.61 2jhu s LYS 105 Cb -0.09 -3.08 -0.13 0.00 -1.51 0.00 0.00 37.83 33.01 2jhu s LYS 105 CO 0.00 -0.23 1.23 -0.85 -0.36 0.00 0.00 175.35 175.13 2jhu n GLU 106 N 1.17 1.92 -0.47 4.03 0.28 0.48 -2.53 120.64 125.52 2jhu n GLU 106 Ca 0.02 0.67 0.00 0.00 -0.16 0.00 0.00 57.16 57.69 2jhu n GLU 106 Cb 0.42 -2.21 0.00 0.00 1.43 0.00 0.00 31.44 31.08 2jhu n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jhu n GLY 107 N 1.00 2.04 3.78 -1.84 0.00 -0.67 -4.93 105.19 104.57 2jhu n GLY 107 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2jhu n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jhu s VAL 108 N -3.46 3.39 0.16 1.61 -7.23 -1.05 -4.40 120.40 109.41 2jhu s VAL 108 Ca 0.00 0.90 -0.24 0.00 -1.81 0.00 0.00 61.98 60.83 2jhu s VAL 108 Cb 0.00 -3.38 -0.08 0.00 0.56 0.00 0.00 36.38 33.48 2jhu s VAL 108 CO 0.00 -0.16 0.74 -1.61 -0.31 0.00 0.00 175.10 173.76 2jhu s GLU 109 N -3.16 4.48 0.18 4.82 2.02 -1.26 -0.58 118.70 125.20 2jhu s GLU 109 Ca 0.69 1.07 -0.18 0.00 0.02 0.00 0.00 54.97 56.57 2jhu s GLU 109 Cb -0.22 -3.22 0.03 0.00 0.10 0.00 0.00 34.13 30.82 2jhu s GLU 109 CO 0.25 0.57 0.51 1.52 0.02 0.00 0.00 175.26 178.13 2jhu s TYR 110 N -1.18 -0.18 0.24 1.61 1.13 -0.02 -4.55 117.35 114.39 2jhu s TYR 110 Ca 0.35 -0.14 0.12 0.00 -1.41 0.00 0.00 57.07 55.99 2jhu s TYR 110 Cb -0.22 0.38 -0.05 0.00 -1.10 0.00 0.00 41.96 40.97 2jhu s TYR 110 CO 0.25 -0.86 -0.21 1.03 -2.51 0.00 0.00 175.55 173.24 2jhu s ARG 111 N -3.85 1.59 -0.20 -3.49 0.52 -0.65 -0.89 118.95 111.98 2jhu s ARG 111 Ca 0.07 -1.65 -0.10 0.00 -0.52 0.00 0.00 55.73 53.53 2jhu s ARG 111 Cb -0.00 -1.77 -0.05 0.00 0.52 0.00 0.00 34.95 33.65 2jhu s ARG 111 CO -0.06 0.35 0.12 0.42 0.02 0.00 0.00 175.30 176.16 2jhu s ILE 112 N -2.15 5.35 -0.19 1.52 1.01 -1.26 -0.58 121.20 124.90 2jhu s ILE 112 Ca 0.25 0.17 -0.02 0.00 0.00 0.00 0.00 60.65 61.05 2jhu s ILE 112 Cb -0.06 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 2jhu s ILE 112 CO 0.12 0.44 -0.08 -0.75 0.00 0.00 0.00 174.94 174.67 2jhu s LYS 113 N 0.38 3.36 -0.23 2.79 2.20 0.59 -1.03 119.74 127.80 2jhu s LYS 113 Ca 0.08 -0.65 -0.08 0.00 -0.36 0.00 0.00 55.97 54.96 2jhu s LYS 113 Cb -0.11 -2.87 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 2jhu s LYS 113 CO -0.02 -0.07 0.08 0.42 -0.36 0.00 0.00 175.35 175.40 2jhu s ILE 114 N 1.11 4.56 -0.16 5.43 -1.09 0.49 -1.00 121.20 130.54 2jhu s ILE 114 Ca 0.01 -0.10 -0.07 0.00 -2.23 0.00 0.00 60.65 58.26 2jhu s ILE 114 Cb -0.15 -3.11 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 2jhu s ILE 114 CO -0.02 0.37 0.10 -0.44 -1.23 0.00 0.00 174.94 173.72 2jhu s SER 115 N 1.22 6.02 0.03 3.58 0.01 -0.05 -0.83 113.70 123.69 2jhu s SER 115 Ca 0.05 0.26 -0.18 0.00 1.31 0.00 0.00 55.95 57.39 2jhu s SER 115 Cb -0.14 -1.98 0.04 0.00 0.21 0.00 0.00 66.02 64.14 2jhu s SER 115 CO 0.04 0.28 0.41 0.72 0.41 0.00 0.00 173.24 175.10 2jhu s PHE 116 N -0.24 -0.27 0.03 2.43 -0.71 -0.50 -0.81 117.98 117.91 2jhu s PHE 116 Ca 0.10 0.27 0.08 0.00 -1.04 0.00 0.00 56.93 56.33 2jhu s PHE 116 Cb -0.12 0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.88 2jhu s PHE 116 CO 0.01 -0.55 -0.23 1.03 -1.34 0.00 0.00 175.22 174.14 2jhu s ARG 117 N -2.29 1.96 -0.15 1.99 0.52 0.58 0.13 118.95 121.69 2jhu s ARG 117 Ca -0.06 -1.03 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 2jhu s ARG 117 Cb -0.01 -2.08 0.02 0.00 0.52 0.00 0.00 34.95 33.39 2jhu s ARG 117 CO -0.01 0.53 -0.19 0.08 0.02 0.00 0.00 175.30 175.74 2jhu s VAL 118 N -0.82 1.85 -0.13 3.52 1.01 -1.26 -1.62 120.40 122.94 2jhu s VAL 118 Ca 0.13 -0.83 0.12 0.00 0.00 0.00 0.00 61.98 61.39 2jhu s VAL 118 Cb -0.10 -1.67 -0.18 0.00 0.00 0.00 0.00 36.38 34.43 2jhu s VAL 118 CO 0.03 0.51 0.32 0.59 0.00 0.00 0.00 175.10 176.55 2jhu n ASN 119 N 4.37 1.83 0.00 3.32 3.02 0.91 -2.02 115.26 126.69 2jhu n ASN 119 Ca -0.19 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 2jhu n ASN 119 Cb 0.51 1.44 0.00 0.00 -0.61 0.00 0.00 39.78 41.12 2jhu n ASN 119 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jhu n ARG 120 N -1.79 0.00 -3.95 3.52 0.63 -1.26 -4.85 116.66 108.96 2jhu n ARG 120 Ca -0.01 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.83 2jhu n ARG 120 Cb 0.29 -0.22 -0.08 0.00 0.45 0.00 0.00 32.46 32.90 2jhu n ARG 120 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2jhu s GLU 121 N -1.68 0.73 0.37 -0.14 -1.05 -1.26 -4.74 118.70 110.92 2jhu s GLU 121 Ca 0.00 -1.02 -0.27 0.00 -0.15 0.00 0.00 54.97 53.53 2jhu s GLU 121 Cb 0.00 0.28 -0.11 0.00 -0.44 0.00 0.00 34.13 33.86 2jhu s GLU 121 CO 0.00 -0.20 1.34 -0.89 0.95 0.00 0.00 175.26 176.46 2jhu n ILE 122 N 0.11 2.13 -4.62 1.83 5.41 -1.26 -4.47 119.36 118.50 2jhu n ILE 122 Ca -0.15 -0.50 -0.28 0.00 1.00 0.00 0.00 62.75 62.82 2jhu n ILE 122 Cb 0.61 -1.68 -0.17 0.00 -0.71 0.00 0.00 39.64 37.70 2jhu n ILE 122 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2jhu s VAL 123 N -1.12 1.51 0.04 1.39 1.01 0.05 -5.00 120.40 118.28 2jhu s VAL 123 Ca 0.56 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2jhu s VAL 123 Cb -0.53 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2jhu s VAL 123 CO 0.62 0.44 0.08 -0.94 0.00 0.00 0.00 175.10 175.30 2jhu s SER 124 N 0.80 5.63 -0.99 3.32 1.04 -1.26 -1.14 113.70 121.10 2jhu s SER 124 Ca -0.11 0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 2jhu s SER 124 Cb -0.16 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.39 2jhu s SER 124 CO 0.01 0.22 0.24 0.61 0.98 0.00 0.00 173.24 175.30 2jhu n GLY 125 N 0.81 -0.08 3.65 7.32 0.00 -1.16 -2.15 105.19 113.58 2jhu n GLY 125 Ca -0.11 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2jhu n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jhu n MET 126 N -2.54 1.66 -3.77 1.61 2.81 0.55 -2.99 117.12 114.46 2jhu n MET 126 Ca -0.10 0.59 -0.13 0.00 -1.81 0.00 0.00 57.70 56.26 2jhu n MET 126 Cb 0.59 -2.18 -0.12 0.00 -0.71 0.00 0.00 33.22 30.80 2jhu n MET 126 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2jhu s LYS 127 N -2.01 0.26 -0.15 0.03 2.20 -0.17 -0.53 119.74 119.37 2jhu s LYS 127 Ca 0.61 0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 56.60 2jhu s LYS 127 Cb -0.56 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 35.79 2jhu s LYS 127 CO 0.58 -0.08 -0.08 -0.47 -0.36 0.00 0.00 175.35 174.94 2jhu s TYR 128 N 0.53 2.92 -0.07 4.03 5.04 -0.23 -0.82 117.35 128.75 2jhu s TYR 128 Ca -0.03 -0.49 0.04 0.00 -2.44 0.00 0.00 57.07 54.14 2jhu s TYR 128 Cb -0.05 -1.91 0.00 0.00 0.35 0.00 0.00 41.96 40.35 2jhu s TYR 128 CO -0.03 -0.14 -0.17 0.42 -1.34 0.00 0.00 175.55 174.28 2jhu s ILE 129 N 0.42 1.52 -0.03 3.14 1.01 -0.10 -0.49 121.20 126.66 2jhu s ILE 129 Ca -0.07 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2jhu s ILE 129 Cb -0.15 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 2jhu s ILE 129 CO 0.04 0.44 -0.22 -1.10 0.00 0.00 0.00 174.94 174.10 2jhu s GLN 130 N 0.35 1.97 -0.05 2.79 -0.21 -0.05 -0.82 119.66 123.64 2jhu s GLN 130 Ca -0.12 -0.79 0.06 0.00 0.02 0.00 0.00 55.36 54.53 2jhu s GLN 130 Cb -0.15 -1.81 -0.01 0.00 1.00 0.00 0.00 33.01 32.04 2jhu s GLN 130 CO 0.05 0.42 -0.24 -1.01 -2.12 0.00 0.00 175.29 172.39 2jhu s HIS 131 N -0.35 2.28 -0.10 0.91 3.76 0.17 -1.12 115.29 120.85 2jhu s HIS 131 Ca 0.04 -0.62 -0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2jhu s HIS 131 Cb -0.10 -1.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 2jhu s HIS 131 CO 0.01 -0.17 -0.08 0.99 -0.85 0.00 0.00 174.74 174.64 2jhu s THR 132 N -0.24 3.59 0.10 1.30 2.01 -0.05 -0.78 115.64 121.58 2jhu s THR 132 Ca -0.00 -0.50 0.09 0.00 0.31 0.00 0.00 61.69 61.58 2jhu s THR 132 Cb -0.12 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 2jhu s THR 132 CO 0.02 0.56 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.98 2jhu s TYR 133 N -0.34 1.91 -0.09 4.92 1.51 0.18 -0.38 117.35 125.07 2jhu s TYR 133 Ca 0.05 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 2jhu s TYR 133 Cb -0.12 -1.05 0.02 0.00 -0.11 0.00 0.00 41.96 40.69 2jhu s TYR 133 CO 0.02 0.22 -0.09 0.50 -1.11 0.00 0.00 175.55 175.10 2jhu s ARG 134 N -1.87 1.51 -1.60 -0.62 3.52 0.26 -0.89 118.95 119.26 2jhu s ARG 134 Ca 0.08 -0.29 -0.12 0.00 -0.13 0.00 0.00 55.73 55.27 2jhu s ARG 134 Cb -0.10 -1.44 0.10 0.00 -1.56 0.00 0.00 34.95 31.96 2jhu s ARG 134 CO 0.04 -0.14 0.68 1.63 -0.81 0.00 0.00 175.30 176.70 2jhu n LYS 135 N 4.45 -3.36 -0.51 5.12 4.76 -1.26 -1.29 118.16 126.06 2jhu n LYS 135 Ca -0.17 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2jhu n LYS 135 Cb 0.51 -4.94 0.00 0.00 -1.84 0.00 0.00 35.03 28.76 2jhu n LYS 135 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jhu n GLY 136 N -1.62 1.52 3.57 0.72 0.00 -1.26 -5.02 105.19 103.09 2jhu n GLY 136 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 2jhu n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jhu s VAL 137 N -3.34 4.72 0.17 1.61 1.01 -0.41 -5.04 120.40 119.11 2jhu s VAL 137 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 61.98 61.62 2jhu s VAL 137 Cb 0.00 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 33.10 2jhu s VAL 137 CO 0.00 0.39 1.72 -0.75 0.00 0.00 0.00 175.10 176.45 2jhu s LYS 138 N 1.00 4.15 0.00 2.72 2.20 -1.26 -0.58 119.74 127.97 2jhu s LYS 138 Ca 0.05 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 2jhu s LYS 138 Cb -0.14 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2jhu s LYS 138 CO 0.03 -0.75 0.00 0.44 -0.36 0.00 0.00 175.35 174.71 2jhu n ILE 139 N 4.20 0.00 -3.46 5.43 -5.35 0.48 -4.90 119.36 115.76 2jhu n ILE 139 Ca 0.16 -0.08 -0.14 0.00 -0.27 0.00 0.00 62.75 62.42 2jhu n ILE 139 Cb 0.37 0.55 -0.04 0.00 -1.74 0.00 0.00 39.64 38.79 2jhu n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2jhu s ASP 140 N -1.68 -0.60 -0.01 7.28 3.68 -1.06 -4.99 116.67 119.30 2jhu s ASP 140 Ca 0.00 0.28 0.00 0.00 2.13 0.00 0.00 52.55 54.96 2jhu s ASP 140 Cb 0.00 0.57 0.01 0.00 -1.45 0.00 0.00 42.92 42.05 2jhu s ASP 140 CO 0.00 -0.82 0.01 -0.75 0.13 0.00 0.00 175.17 173.74 2jhu s LYS 141 N -2.73 0.02 -0.01 4.34 2.20 -1.26 -0.87 119.74 121.43 2jhu s LYS 141 Ca -0.03 0.06 0.01 0.00 -0.36 0.00 0.00 55.97 55.64 2jhu s LYS 141 Cb -0.01 -0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 2jhu s LYS 141 CO -0.04 -0.06 -0.04 0.99 -0.36 0.00 0.00 175.35 175.85 2jhu s THR 142 N 0.39 0.32 -0.00 3.43 2.01 -0.27 -5.02 115.64 116.49 2jhu s THR 142 Ca -0.03 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 61.89 2jhu s THR 142 Cb -0.05 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.15 2jhu s THR 142 CO -0.01 0.10 -0.24 -1.81 -0.69 0.00 0.00 174.62 171.97 2jhu s ASP 143 N 0.03 3.25 -0.10 3.53 -0.00 -1.26 -0.87 116.67 121.26 2jhu s ASP 143 Ca 0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 52.55 52.09 2jhu s ASP 143 Cb -0.03 -0.41 0.02 0.00 -0.00 0.00 0.00 42.92 42.50 2jhu s ASP 143 CO -0.00 0.31 -0.08 -0.31 -0.00 0.00 0.00 175.17 175.08 2jhu s TYR 144 N -0.69 1.42 -0.17 4.23 2.02 0.35 -5.00 117.35 119.51 2jhu s TYR 144 Ca 0.11 -0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 55.87 2jhu s TYR 144 Cb -0.10 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 2jhu s TYR 144 CO 0.00 -0.43 1.11 -1.64 -1.57 0.00 0.00 175.55 173.02 2jhu s MET 145 N 1.40 4.30 -0.22 -0.62 -1.94 -1.26 -1.07 119.30 119.88 2jhu s MET 145 Ca -0.01 1.48 -0.09 0.00 -1.71 0.00 0.00 55.69 55.36 2jhu s MET 145 Cb -0.13 -3.64 -0.18 0.00 2.01 0.00 0.00 34.83 32.88 2jhu s MET 145 CO -0.05 -0.56 -0.03 0.28 -0.01 0.00 0.00 175.02 174.65 2jhu n VAL 146 N 5.09 1.58 0.00 -6.03 0.31 0.31 -4.96 118.33 114.63 2jhu n VAL 146 Ca 0.12 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2jhu n VAL 146 Cb 0.46 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 2jhu n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jhu n GLY 147 N 1.78 0.50 3.70 2.92 0.00 -0.84 -4.93 105.19 108.32 2jhu n GLY 147 Ca -0.42 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.02 2jhu n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jhu s SER 148 N -4.00 5.66 0.00 1.61 0.01 -1.26 -0.33 113.70 115.39 2jhu s SER 148 Ca 0.00 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.46 2jhu s SER 148 Cb 0.00 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 2jhu s SER 148 CO 0.00 0.29 -0.06 -0.31 0.41 0.00 0.00 173.24 173.56 2jhu s TYR 149 N -0.32 0.57 0.46 2.43 2.02 -0.29 -4.98 117.35 117.24 2jhu s TYR 149 Ca 0.09 -0.15 0.08 0.00 -0.37 0.00 0.00 57.07 56.71 2jhu s TYR 149 Cb -0.12 -0.37 0.01 0.00 -0.40 0.00 0.00 41.96 41.09 2jhu s TYR 149 CO 0.02 -0.02 0.48 0.20 -1.57 0.00 0.00 175.55 174.66 2jhu s GLY 150 N -0.31 2.08 0.54 0.71 0.00 -1.26 -0.77 107.32 108.31 2jhu s GLY 150 Ca 0.01 -1.79 -0.20 0.00 0.00 0.00 0.00 44.72 42.75 2jhu s GLY 150 CO -0.00 -1.70 1.16 2.56 0.00 0.00 0.00 173.10 175.12 2jhu s PRO 151 N -4.28 3.32 0.20 2.90 0.04 -1.26 -4.74 135.00 131.19 2jhu s PRO 151 Ca 0.49 1.70 -0.23 0.00 0.04 0.00 0.00 61.00 63.00 2jhu s PRO 151 Cb -0.05 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.49 2jhu s PRO 151 CO 0.29 -0.89 0.82 -0.98 0.04 0.00 0.00 177.00 176.28 2jhu s ARG 152 N -3.20 1.44 0.05 4.56 1.70 -0.86 -4.99 118.95 117.66 2jhu s ARG 152 Ca 0.72 -0.77 -0.21 0.00 -0.47 0.00 0.00 55.73 55.00 2jhu s ARG 152 Cb -0.26 0.51 -0.13 0.00 -0.57 0.00 0.00 34.95 34.49 2jhu s ARG 152 CO 0.30 -0.66 1.46 0.00 -1.08 0.00 0.00 175.30 175.32 2jhu h ALA 153 N 2.00 0.19 -2.45 7.88 0.00 -1.97 -3.43 119.26 121.49 2jhu h ALA 153 Ca -0.22 -0.21 -0.51 0.00 0.00 0.00 0.00 54.91 53.97 2jhu h ALA 153 Cb 1.25 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2jhu h ALA 153 CO 0.26 -0.09 0.13 0.00 0.00 0.00 0.00 179.25 179.54 2jhu s ALA 154 N -4.86 3.36 0.47 0.00 0.00 -1.26 -5.03 121.76 114.45 2jhu s ALA 154 Ca -0.14 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.74 2jhu s ALA 154 Cb 0.05 -2.84 -0.08 0.00 0.00 0.00 0.00 23.12 20.26 2jhu s ALA 154 CO 0.72 0.31 1.21 0.00 0.00 0.00 0.00 175.76 178.00 2jhu n ALA 155 N 0.36 1.05 -2.22 0.00 0.00 -1.26 -4.83 120.51 113.61 2jhu n ALA 155 Ca -0.00 0.19 -0.29 0.00 0.00 0.00 0.00 53.44 53.34 2jhu n ALA 155 Cb 0.52 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 2jhu n ALA 155 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2jhu s TYR 156 N -1.27 3.51 -0.07 0.00 2.02 0.12 -4.90 117.35 116.75 2jhu s TYR 156 Ca 0.66 0.95 0.02 0.00 -0.37 0.00 0.00 57.07 58.32 2jhu s TYR 156 Cb -0.48 -2.38 0.02 0.00 -0.40 0.00 0.00 41.96 38.71 2jhu s TYR 156 CO 0.54 -0.16 -0.11 -1.21 -1.57 0.00 0.00 175.55 173.04 2jhu s GLU 157 N -4.16 1.62 -0.17 -0.62 0.41 -1.26 -1.41 118.70 113.11 2jhu s GLU 157 Ca 0.50 -0.37 -0.02 0.00 -0.41 0.00 0.00 54.97 54.66 2jhu s GLU 157 Cb -0.10 -1.39 -0.02 0.00 -1.78 0.00 0.00 34.13 30.84 2jhu s GLU 157 CO 0.36 -0.02 -0.08 0.12 -0.49 0.00 0.00 175.26 175.15 2jhu s PHE 158 N 0.83 2.92 -0.13 1.61 5.36 -0.01 -4.96 117.98 123.60 2jhu s PHE 158 Ca -0.11 -0.64 -0.00 0.00 -0.96 0.00 0.00 56.93 55.21 2jhu s PHE 158 Cb -0.15 -1.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.55 2jhu s PHE 158 CO 0.02 -0.27 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.88 2jhu s LEU 159 N 0.71 2.77 0.85 6.12 1.02 -1.26 -0.38 118.68 128.52 2jhu s LEU 159 Ca -0.04 -0.30 -0.11 0.00 0.02 0.00 0.00 54.13 53.70 2jhu s LEU 159 Cb -0.15 -1.63 0.10 0.00 0.02 0.00 0.00 46.19 44.54 2jhu s LEU 159 CO 0.02 0.17 1.09 0.42 0.02 0.00 0.00 176.35 178.07 2jhu s THR 160 N 0.33 2.88 0.79 5.49 -4.23 -0.20 -4.98 115.64 115.73 2jhu s THR 160 Ca -0.10 0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.57 2jhu s THR 160 Cb -0.16 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 70.93 2jhu s THR 160 CO 0.05 -0.37 1.15 -2.84 -0.54 0.00 0.00 174.62 172.07 2jhu s PRO 161 N -4.98 1.88 0.24 3.99 0.02 -1.26 -4.53 135.00 130.36 2jhu s PRO 161 Ca 0.62 1.49 -0.31 0.00 0.02 0.00 0.00 61.00 62.82 2jhu s PRO 161 Cb -0.17 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.40 2jhu s PRO 161 CO 0.56 -1.98 1.59 0.28 -0.33 0.00 0.00 177.00 177.12 2jhu n VAL 162 N -3.39 0.58 -4.33 3.83 0.31 -1.26 -4.70 118.33 109.37 2jhu n VAL 162 Ca 0.11 -0.14 -0.17 0.00 -0.01 0.00 0.00 64.34 64.13 2jhu n VAL 162 Cb 0.52 -1.80 -0.10 0.00 -0.91 0.00 0.00 33.84 31.54 2jhu n VAL 162 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2jhu s GLU 163 N 0.17 1.29 -0.09 5.55 -1.05 -0.07 -4.97 118.70 119.53 2jhu s GLU 163 Ca 0.70 -1.61 -0.02 0.00 -0.15 0.00 0.00 54.97 53.89 2jhu s GLU 163 Cb -0.56 -0.80 -0.03 0.00 -0.44 0.00 0.00 34.13 32.30 2jhu s GLU 163 CO 0.43 0.03 0.01 -1.21 0.95 0.00 0.00 175.26 175.47 2jhu s GLU 164 N -3.77 3.07 0.61 -4.83 2.02 -1.26 -0.84 118.70 113.70 2jhu s GLU 164 Ca 0.24 -0.40 -0.19 0.00 0.02 0.00 0.00 54.97 54.64 2jhu s GLU 164 Cb 0.03 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 2jhu s GLU 164 CO 0.06 0.67 1.26 0.00 0.02 0.00 0.00 175.26 177.27 2jhu n ALA 165 N 2.25 1.12 -1.27 5.21 0.00 0.26 -4.91 120.51 123.16 2jhu n ALA 165 Ca -0.19 0.04 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 2jhu n ALA 165 Cb 0.54 -2.30 0.07 0.00 0.00 0.00 0.00 19.45 17.76 2jhu n ALA 165 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jhu n PRO 166 N -1.45 0.31 -3.87 0.00 -0.02 -1.26 -2.19 135.00 126.53 2jhu n PRO 166 Ca 0.14 0.15 -0.11 0.00 -2.02 0.00 0.00 63.50 61.65 2jhu n PRO 166 Cb 0.47 -1.84 -0.12 0.00 -0.02 0.00 0.00 33.50 31.98 2jhu n PRO 166 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jhu s LYS 167 N -2.76 0.20 0.00 -0.52 2.20 -1.26 -1.67 119.74 115.93 2jhu s LYS 167 Ca 0.66 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2jhu s LYS 167 Cb -0.35 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.05 2jhu s LYS 167 CO 0.58 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.94 2jhu n GLY 168 N 2.53 2.85 0.28 5.54 0.00 -1.26 -4.74 105.19 110.39 2jhu n GLY 168 Ca -0.16 -1.54 0.06 0.00 0.00 0.00 0.00 46.02 44.38 2jhu n GLY 168 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2jhu h MET 169 N 0.00 0.11 0.00 1.61 4.05 -1.99 -0.34 114.93 118.37 2jhu h MET 169 Ca 0.00 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2jhu h MET 169 Cb 0.00 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2jhu h MET 169 CO 0.00 0.08 -0.03 -0.07 0.23 0.00 0.00 176.91 177.12 2jhu h LEU 170 N 0.12 0.00 0.00 3.39 -0.00 -2.04 -2.34 115.31 114.44 2jhu h LEU 170 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.30 2jhu h LEU 170 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 2jhu h LEU 170 CO -0.66 0.03 -0.83 0.00 -0.00 0.00 0.00 178.44 176.98 2jhu n ALA 171 N -2.33 4.26 -1.50 1.53 0.00 -0.16 -4.95 120.51 117.36 2jhu n ALA 171 Ca -0.03 -0.50 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 2jhu n ALA 171 Cb 0.11 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 18.71 2jhu n ALA 171 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jhu s ARG 172 N -3.01 2.76 0.00 0.00 0.52 -0.88 -4.87 118.95 113.47 2jhu s ARG 172 Ca 0.09 1.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 2jhu s ARG 172 Cb 0.16 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.69 2jhu s ARG 172 CO 0.81 -1.28 0.00 0.41 0.02 0.00 0.00 175.30 175.26 2jhu n GLY 173 N -0.54 0.68 3.86 -3.53 0.00 -0.67 -4.96 105.19 100.03 2jhu n GLY 173 Ca 0.10 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 2jhu n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jhu s SER 174 N -3.80 6.65 0.05 1.61 0.01 -1.26 -0.61 113.70 116.35 2jhu s SER 174 Ca 0.00 0.78 0.06 0.00 1.31 0.00 0.00 55.95 58.10 2jhu s SER 174 Cb 0.00 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 2jhu s SER 174 CO 0.00 0.26 -0.16 -0.31 0.41 0.00 0.00 173.24 173.45 2jhu s TYR 175 N -1.23 1.37 0.07 2.43 1.51 0.10 -4.44 117.35 117.17 2jhu s TYR 175 Ca 0.27 -0.38 0.07 0.00 -1.01 0.00 0.00 57.07 56.01 2jhu s TYR 175 Cb -0.15 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 2jhu s TYR 175 CO 0.15 0.06 -0.12 -1.54 -1.11 0.00 0.00 175.55 172.98 2jhu s SER 176 N -1.32 4.22 -0.06 2.29 1.04 -0.07 -0.97 113.70 118.84 2jhu s SER 176 Ca 0.02 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.10 2jhu s SER 176 Cb -0.09 -0.79 0.01 0.00 0.10 0.00 0.00 66.02 65.26 2jhu s SER 176 CO 0.02 0.22 -0.13 -0.63 0.98 0.00 0.00 173.24 173.69 2jhu s ILE 177 N -1.10 1.21 -0.23 -1.02 1.01 0.80 -0.64 121.20 121.23 2jhu s ILE 177 Ca 0.19 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 2jhu s ILE 177 Cb -0.11 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 2jhu s ILE 177 CO 0.10 0.37 0.05 -0.54 0.00 0.00 0.00 174.94 174.91 2jhu s LYS 178 N 0.51 3.65 -0.00 2.79 1.02 0.04 -1.45 119.74 126.29 2jhu s LYS 178 Ca -0.12 -0.49 0.04 0.00 0.02 0.00 0.00 55.97 55.42 2jhu s LYS 178 Cb -0.15 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2jhu s LYS 178 CO 0.04 -0.12 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.11 2jhu s SER 179 N 1.39 4.25 0.01 2.83 0.01 0.64 -0.66 113.70 122.17 2jhu s SER 179 Ca 0.05 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2jhu s SER 179 Cb -0.15 -0.90 -0.01 0.00 0.21 0.00 0.00 66.02 65.18 2jhu s SER 179 CO 0.03 0.30 -0.02 -0.13 0.41 0.00 0.00 173.24 173.83 2jhu s ARG 180 N -1.21 0.14 -0.14 12.44 3.00 -0.00 -1.23 118.95 131.95 2jhu s ARG 180 Ca 0.15 -0.18 0.02 0.00 0.00 0.00 0.00 55.73 55.71 2jhu s ARG 180 Cb -0.11 -0.04 0.02 0.00 0.00 0.00 0.00 34.95 34.82 2jhu s ARG 180 CO 0.05 0.01 -0.18 0.12 0.00 0.00 0.00 175.30 175.29 2jhu s PHE 181 N -0.37 2.40 0.06 -0.53 2.19 -0.12 -0.92 117.98 120.69 2jhu s PHE 181 Ca -0.03 -1.26 0.01 0.00 0.33 0.00 0.00 56.93 55.98 2jhu s PHE 181 Cb -0.03 -1.68 -0.00 0.00 -1.31 0.00 0.00 43.02 40.00 2jhu s PHE 181 CO -0.00 -0.62 0.05 -2.37 1.83 0.00 0.00 175.22 174.11 2jhu n THR 182 N 4.34 0.00 -3.69 0.12 5.66 0.00 -1.60 114.28 119.11 2jhu n THR 182 Ca -0.19 -0.40 -0.03 0.00 -3.05 0.00 0.00 64.05 60.38 2jhu n THR 182 Cb 0.51 0.20 -0.01 0.00 -1.55 0.00 0.00 70.33 69.48 2jhu n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2jhu n ASP 183 N -2.67 -0.29 0.00 1.09 5.68 -1.25 -1.00 116.55 118.10 2jhu n ASP 183 Ca 0.01 -1.42 0.11 0.00 -0.50 0.00 0.00 54.79 53.00 2jhu n ASP 183 Cb 0.10 0.55 0.56 0.00 -1.14 0.00 0.00 41.12 41.19 2jhu n ASP 183 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2jhu n ASP 184 N -2.05 0.00 -0.40 -1.12 5.68 -0.91 -1.07 116.55 116.68 2jhu n ASP 184 Ca 0.00 0.13 0.14 0.00 -0.50 0.00 0.00 54.79 54.56 2jhu n ASP 184 Cb 0.13 -0.36 0.57 0.00 -1.14 0.00 0.00 41.12 40.32 2jhu n ASP 184 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2jhu n ASP 185 N -1.36 1.23 -1.72 -1.12 8.00 -1.26 -4.95 116.55 115.38 2jhu n ASP 185 Ca 0.09 -1.45 -0.17 0.00 0.71 0.00 0.00 54.79 53.97 2jhu n ASP 185 Cb 0.21 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 2jhu n ASP 185 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jhu n LYS 186 N -0.02 -1.32 -1.93 -1.24 5.02 -0.24 -4.98 118.16 113.46 2jhu n LYS 186 Ca 0.19 0.96 -0.41 0.00 -2.02 0.00 0.00 58.31 57.02 2jhu n LYS 186 Cb 0.30 -5.33 -0.02 0.00 -0.02 0.00 0.00 35.03 29.96 2jhu n LYS 186 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2jhu s THR 187 N -2.78 2.43 -1.19 -0.18 2.01 -1.26 -4.82 115.64 109.85 2jhu s THR 187 Ca 0.00 0.37 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 2jhu s THR 187 Cb 0.00 -3.23 0.12 0.00 0.01 0.00 0.00 72.50 69.40 2jhu s THR 187 CO 0.00 0.06 1.50 -0.62 -0.69 0.00 0.00 174.62 174.87 2jhu s ASP 188 N 0.35 6.90 0.18 3.53 2.15 -1.26 -3.94 116.67 124.57 2jhu s ASP 188 Ca 0.60 -2.58 -0.13 0.00 0.43 0.00 0.00 52.55 50.88 2jhu s ASP 188 Cb -0.44 -2.47 0.09 0.00 -0.30 0.00 0.00 42.92 39.79 2jhu s ASP 188 CO 0.46 -0.98 1.80 0.45 -0.17 0.00 0.00 175.17 176.73 2jhu h HIS 189 N 7.71 0.81 -1.67 -5.34 3.86 -1.65 -3.44 115.15 115.43 2jhu h HIS 189 Ca 0.33 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.57 2jhu h HIS 189 Cb 0.90 -0.26 -0.24 0.00 1.06 0.00 0.00 27.41 28.87 2jhu h HIS 189 CO 1.23 0.57 0.41 -1.17 0.86 0.00 0.00 177.93 179.83 2jhu s LEU 190 N -10.00 -0.49 -0.04 2.43 2.96 -1.18 -4.70 118.68 107.66 2jhu s LEU 190 Ca -0.13 0.84 0.05 0.00 -0.22 0.00 0.00 54.13 54.66 2jhu s LEU 190 Cb 0.13 2.00 -0.01 0.00 0.50 0.00 0.00 46.19 48.81 2jhu s LEU 190 CO 0.77 -0.23 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.94 2jhu s SER 191 N -0.12 2.25 0.16 3.68 0.01 -1.26 -0.94 113.70 117.48 2jhu s SER 191 Ca 0.01 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 56.76 2jhu s SER 191 Cb -0.04 -0.59 0.02 0.00 0.21 0.00 0.00 66.02 65.62 2jhu s SER 191 CO -0.03 0.17 0.41 -1.66 0.41 0.00 0.00 173.24 172.54 2jhu s TRP 192 N -0.03 0.01 0.01 2.43 -2.14 -0.36 -5.01 118.94 113.85 2jhu s TRP 192 Ca -0.03 -0.36 0.05 0.00 2.66 0.00 0.00 56.10 58.42 2jhu s TRP 192 Cb -0.11 0.21 -0.02 0.00 -3.10 0.00 0.00 33.47 30.45 2jhu s TRP 192 CO 0.02 -0.79 -0.16 -2.00 -2.66 0.00 0.00 176.95 171.36 2jhu s GLU 193 N -3.88 1.23 0.26 3.25 2.12 -1.26 -0.26 118.70 120.15 2jhu s GLU 193 Ca 0.09 -0.67 -0.13 0.00 0.36 0.00 0.00 54.97 54.63 2jhu s GLU 193 Cb 0.01 -1.22 -0.00 0.00 0.26 0.00 0.00 34.13 33.18 2jhu s GLU 193 CO -0.05 0.32 0.49 1.67 -0.54 0.00 0.00 175.26 177.16 2jhu s TRP 194 N -0.55 0.38 0.06 5.30 1.48 -0.53 -4.25 118.94 120.84 2jhu s TRP 194 Ca 0.05 -0.75 0.05 0.00 -1.06 0.00 0.00 56.10 54.40 2jhu s TRP 194 Cb -0.07 0.21 -0.03 0.00 -1.16 0.00 0.00 33.47 32.42 2jhu s TRP 194 CO 0.00 -1.02 -0.14 -0.80 -4.06 0.00 0.00 176.95 170.93 2jhu s ASN 195 N -3.03 1.65 -0.08 -2.66 0.01 -1.26 -0.14 114.94 109.43 2jhu s ASN 195 Ca 0.22 -0.56 0.02 0.00 -0.71 0.00 0.00 52.86 51.84 2jhu s ASN 195 Cb -0.01 -0.07 0.01 0.00 0.41 0.00 0.00 41.25 41.60 2jhu s ASN 195 CO 0.10 -0.04 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.28 2jhu s LEU 196 N -1.53 1.69 -0.18 0.60 2.96 -0.14 -1.42 118.68 120.66 2jhu s LEU 196 Ca -0.01 -0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2jhu s LEU 196 Cb -0.09 -0.97 -0.00 0.00 0.50 0.00 0.00 46.19 45.62 2jhu s LEU 196 CO 0.02 0.03 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.09 2jhu s THR 197 N 0.78 2.99 -0.23 3.68 2.01 0.98 0.02 115.64 125.86 2jhu s THR 197 Ca -0.12 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 2jhu s THR 197 Cb -0.16 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 2jhu s THR 197 CO 0.02 0.48 0.23 -0.63 -0.69 0.00 0.00 174.62 174.04 2jhu s ILE 198 N 1.08 5.31 0.25 1.82 -1.09 0.22 -1.40 121.20 127.39 2jhu s ILE 198 Ca 0.00 0.34 0.07 0.00 -2.23 0.00 0.00 60.65 58.83 2jhu s ILE 198 Cb -0.15 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 2jhu s ILE 198 CO -0.02 0.31 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.37 2jhu s LYS 199 N 1.17 1.48 0.30 2.79 1.02 -0.56 -1.68 119.74 124.27 2jhu s LYS 199 Ca 0.11 -1.72 -0.01 0.00 0.02 0.00 0.00 55.97 54.37 2jhu s LYS 199 Cb -0.14 -1.16 0.47 0.00 -0.52 0.00 0.00 37.83 36.48 2jhu s LYS 199 CO 0.06 0.10 1.94 -0.22 -0.92 0.00 0.00 175.35 176.31 2jhu h LYS 200 N 2.37 0.97 -4.60 1.68 3.64 -1.96 0.14 116.57 118.81 2jhu h LYS 200 Ca -0.39 -0.09 -0.23 0.00 -1.27 0.00 0.00 60.65 58.67 2jhu h LYS 200 Cb 1.23 -0.20 -0.15 0.00 -0.41 0.00 0.00 32.23 32.70 2jhu h LYS 200 CO 0.65 0.69 -0.66 -0.51 -2.27 0.00 0.00 179.45 177.35 2jhu s ASP 201 N -6.41 0.83 0.00 4.20 1.11 -1.26 -4.45 116.67 110.69 2jhu s ASP 201 Ca -0.11 -1.15 0.06 0.00 0.18 0.00 0.00 52.55 51.53 2jhu s ASP 201 Cb 0.17 0.18 0.34 0.00 1.07 0.00 0.00 42.92 44.68 2jhu s ASP 201 CO 0.79 -0.62 0.80 0.79 1.18 0.00 0.00 175.17 178.12