#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k60 s SER -4 N 0.00 -0.67 0.12 1.61 0.01 -0.38 -5.00 113.70 109.38 2k60 s SER -4 Ca 0.00 0.88 -0.14 0.00 1.31 0.00 0.00 55.95 58.00 2k60 s SER -4 Cb 0.00 0.75 -0.06 0.00 0.21 0.00 0.00 66.02 66.92 2k60 s SER -4 CO 0.00 -0.52 1.47 -0.74 0.41 0.00 0.00 173.24 173.86 2k60 h HIS -3 N 3.49 0.89 0.45 2.43 -0.00 -2.02 -3.32 115.15 117.07 2k60 h HIS -3 Ca -0.27 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.37 59.84 2k60 h HIS -3 Cb 1.15 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 28.34 2k60 h HIS -3 CO 0.38 0.99 -0.40 1.98 -0.00 0.00 0.00 177.93 180.88 2k60 h MET -2 N 0.54 -0.81 -3.25 5.26 1.85 -1.93 -3.45 114.93 113.13 2k60 h MET -2 Ca 0.07 0.06 -0.15 0.00 -0.61 0.00 0.00 59.70 59.06 2k60 h MET -2 Cb 0.78 0.18 -0.23 0.00 0.43 0.00 0.00 31.60 32.76 2k60 h MET -2 CO 0.06 -0.54 -0.43 0.00 -0.40 0.00 0.00 176.91 175.61 2k60 s ALA -1 N -5.32 -0.54 -0.27 0.39 0.00 -1.25 -4.89 121.76 109.89 2k60 s ALA -1 Ca -0.14 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 2k60 s ALA -1 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2k60 s ALA -1 CO 0.48 -0.17 0.12 0.43 0.00 0.00 0.00 175.76 176.62 2k60 n SER 0 N 2.16 -6.82 -4.87 0.00 7.64 -1.26 -3.86 113.62 106.62 2k60 n SER 0 Ca -0.18 0.98 -0.34 0.00 1.01 0.00 0.00 58.87 60.34 2k60 n SER 0 Cb 0.57 -4.49 -0.06 0.00 -1.01 0.00 0.00 64.21 59.22 2k60 n SER 0 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k60 s SER 58 N -1.55 6.20 -0.36 6.43 0.15 -1.25 0.35 113.70 123.67 2k60 s SER 58 Ca 0.05 0.33 -0.22 0.00 0.70 0.00 0.00 55.95 56.81 2k60 s SER 58 Cb -0.01 -1.93 0.01 0.00 -1.71 0.00 0.00 66.02 62.38 2k60 s SER 58 CO 0.63 0.31 0.73 -1.61 1.20 0.00 0.00 173.24 174.49 2k60 s GLU 59 N -1.62 3.72 0.00 5.44 0.41 -1.26 -4.28 118.70 121.11 2k60 s GLU 59 Ca 0.23 0.21 0.00 0.00 -0.41 0.00 0.00 54.97 55.00 2k60 s GLU 59 Cb -0.12 -3.81 0.00 0.00 -1.78 0.00 0.00 34.13 28.42 2k60 s GLU 59 CO 0.13 -0.81 0.00 -3.47 -0.49 0.00 0.00 175.26 170.62 2k60 n ASP 60 N 6.29 0.00 -3.62 -0.19 2.03 -1.26 -5.06 116.55 114.74 2k60 n ASP 60 Ca 0.01 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.30 2k60 n ASP 60 Cb 0.48 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 2k60 n ASP 60 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2k60 s GLU 61 N 0.00 0.39 -0.56 -0.67 2.56 -1.26 -5.10 118.70 114.06 2k60 s GLU 61 Ca 0.00 0.70 -0.27 0.00 0.00 0.00 0.00 54.97 55.41 2k60 s GLU 61 Cb 0.00 0.13 -0.02 0.00 2.00 0.00 0.00 34.13 36.24 2k60 s GLU 61 CO 0.00 -0.09 1.84 0.15 -0.56 0.00 0.00 175.26 176.60 2k60 s LYS 62 N 1.51 2.77 0.60 4.30 -0.14 -1.26 -4.95 119.74 122.57 2k60 s LYS 62 Ca -0.08 0.77 -0.09 0.00 -1.36 0.00 0.00 55.97 55.21 2k60 s LYS 62 Cb -0.04 -4.35 -0.01 0.00 -1.68 0.00 0.00 37.83 31.75 2k60 s LYS 62 CO -0.15 -2.55 0.96 -1.17 -0.76 0.00 0.00 175.35 171.67 2k60 s LEU 63 N 8.62 3.23 0.40 3.17 2.96 -1.26 -4.97 118.68 130.83 2k60 s LEU 63 Ca 0.69 1.05 0.20 0.00 -0.22 0.00 0.00 54.13 55.86 2k60 s LEU 63 Cb -0.14 -3.96 0.80 0.00 0.50 0.00 0.00 46.19 43.38 2k60 s LEU 63 CO 0.23 -0.98 1.78 0.28 -1.32 0.00 0.00 176.35 176.35 2k60 h SER 64 N -0.25 0.00 -0.08 3.68 0.02 -1.99 -2.69 113.55 112.25 2k60 h SER 64 Ca -0.45 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 2k60 h SER 64 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2k60 h SER 64 CO 0.62 0.32 -0.19 0.15 -1.14 0.00 0.00 176.83 176.58 2k60 h PHE 65 N 0.00 0.35 -0.33 3.45 3.57 -1.99 0.12 116.94 122.11 2k60 h PHE 65 Ca -0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 2k60 h PHE 65 Cb 0.81 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2k60 h PHE 65 CO 0.00 0.81 0.11 1.05 -2.23 0.00 0.00 178.31 178.04 2k60 h GLU 66 N -0.21 0.46 0.20 1.11 4.11 -1.96 0.39 114.58 118.68 2k60 h GLU 66 Ca -0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2k60 h GLU 66 Cb 0.80 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2k60 h GLU 66 CO 0.04 0.41 -0.09 0.00 0.07 0.00 0.00 179.01 179.43 2k60 h ALA 67 N 1.66 -0.26 -0.71 1.06 0.00 -1.34 0.03 119.26 119.71 2k60 h ALA 67 Ca 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k60 h ALA 67 Cb 0.13 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2k60 h ALA 67 CO -0.01 -0.51 0.35 -0.24 0.00 0.00 0.00 179.25 178.84 2k60 h VAL 68 N -0.53 1.22 0.00 0.00 3.04 -0.31 -0.19 116.25 119.49 2k60 h VAL 68 Ca -0.03 -0.62 -0.10 0.00 -1.01 0.00 0.00 66.70 64.94 2k60 h VAL 68 Cb 0.40 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 29.97 2k60 h VAL 68 CO 0.04 0.26 -0.47 0.08 -1.01 0.00 0.00 177.57 176.48 2k60 h ARG 69 N 1.01 0.00 -0.06 4.17 0.11 -0.90 -1.45 114.38 117.25 2k60 h ARG 69 Ca 0.25 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.32 2k60 h ARG 69 Cb 0.09 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.17 2k60 h ARG 69 CO -0.03 0.47 0.01 -0.97 0.10 0.00 0.00 179.97 179.54 2k60 h ASN 70 N 0.00 0.10 0.22 0.08 -0.73 0.76 0.49 115.58 116.50 2k60 h ASN 70 Ca -0.00 -0.27 -0.09 0.00 1.87 0.00 0.00 56.30 57.80 2k60 h ASN 70 Cb 0.89 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.44 2k60 h ASN 70 CO 0.06 0.35 -0.35 0.40 -0.37 0.00 0.00 177.43 177.52 2k60 h ILE 71 N -0.15 1.28 -0.72 2.57 5.03 -1.11 -0.21 117.51 124.20 2k60 h ILE 71 Ca 0.02 -1.33 -0.06 0.00 -0.12 0.00 0.00 64.86 63.37 2k60 h ILE 71 Cb 0.29 1.59 -0.03 0.00 -3.03 0.00 0.00 36.82 35.64 2k60 h ILE 71 CO 0.00 0.40 0.22 -0.74 -0.68 0.00 0.00 178.15 177.35 2k60 h HIS 72 N 0.17 1.16 0.00 1.37 2.76 -1.02 -2.68 115.15 116.90 2k60 h HIS 72 Ca 0.02 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 2k60 h HIS 72 Cb 0.70 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 2k60 h HIS 72 CO 0.01 0.91 -0.04 -0.22 -1.30 0.00 0.00 177.93 177.29 2k60 h LYS 73 N 1.07 0.00 -0.98 5.26 1.63 0.16 0.38 116.57 124.10 2k60 h LYS 73 Ca 0.23 0.00 0.25 0.00 -0.85 0.00 0.00 60.65 60.29 2k60 h LYS 73 Cb 0.30 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.86 2k60 h LYS 73 CO -0.01 0.04 0.66 -0.07 -3.45 0.00 0.00 179.45 176.62 2k60 h LEU 74 N 0.00 0.31 0.00 5.20 4.07 -0.81 -2.71 115.31 121.37 2k60 h LEU 74 Ca -0.00 0.05 -0.31 0.00 0.08 0.00 0.00 57.88 57.69 2k60 h LEU 74 Cb 0.11 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.80 2k60 h LEU 74 CO 0.01 0.09 -1.72 0.23 -1.08 0.00 0.00 178.44 175.97 2k60 n MET 75 N -4.48 0.57 -2.76 1.13 2.81 -0.09 -4.73 117.12 109.57 2k60 n MET 75 Ca 0.22 0.46 -0.43 0.00 -1.81 0.00 0.00 57.70 56.15 2k60 n MET 75 Cb 0.87 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.70 2k60 n MET 75 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k60 s ASP 76 N -7.07 6.41 0.22 7.83 2.15 -0.07 -3.44 116.67 122.71 2k60 s ASP 76 Ca -0.32 -1.40 -0.08 0.00 0.43 0.00 0.00 52.55 51.18 2k60 s ASP 76 Cb 0.09 -2.47 0.35 0.00 -0.30 0.00 0.00 42.92 40.59 2k60 s ASP 76 CO 0.55 -1.38 1.71 -0.78 -0.17 0.00 0.00 175.17 175.10 2k60 h ASP 77 N 9.44 0.08 0.56 -0.34 3.58 -1.77 -0.96 116.42 127.00 2k60 h ASP 77 Ca -0.01 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2k60 h ASP 77 Cb 1.04 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2k60 h ASP 77 CO 1.23 0.03 -0.30 -0.90 -2.88 0.00 0.00 179.24 176.43 2k60 n ASP 78 N -5.09 0.45 -3.59 2.28 5.75 -1.26 -4.96 116.55 110.12 2k60 n ASP 78 Ca 0.11 -0.21 -0.22 0.00 -0.01 0.00 0.00 54.79 54.46 2k60 n ASP 78 Cb 0.36 0.02 0.02 0.00 -1.03 0.00 0.00 41.12 40.48 2k60 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k60 n ALA 79 N -1.31 -2.64 0.96 2.12 0.00 -0.37 -4.89 120.51 114.39 2k60 n ALA 79 Ca 0.08 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.43 2k60 n ALA 79 Cb 0.33 -2.19 0.19 0.00 0.00 0.00 0.00 19.45 17.77 2k60 n ALA 79 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2k60 n ASN 80 N -2.40 2.82 0.00 0.00 6.94 -1.26 -4.90 115.26 116.46 2k60 n ASN 80 Ca -0.15 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 2k60 n ASN 80 Cb 0.60 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 2k60 n ASN 80 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k60 n GLY 81 N 1.35 1.11 3.15 4.83 0.00 -1.26 -5.03 105.19 109.33 2k60 n GLY 81 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2k60 n GLY 81 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k60 s ASP 82 N -1.80 -0.37 -0.08 1.61 1.47 -1.26 -0.31 116.67 115.93 2k60 s ASP 82 Ca 0.00 0.68 -0.23 0.00 1.18 0.00 0.00 52.55 54.18 2k60 s ASP 82 Cb 0.00 0.57 -0.03 0.00 -0.34 0.00 0.00 42.92 43.12 2k60 s ASP 82 CO 0.00 -0.17 0.70 0.54 0.68 0.00 0.00 175.17 176.92 2k60 s VAL 83 N 1.25 5.04 0.36 2.11 0.11 0.62 -4.90 120.40 124.99 2k60 s VAL 83 Ca -0.09 1.43 -0.00 0.00 -2.93 0.00 0.00 61.98 60.39 2k60 s VAL 83 Cb -0.09 -4.04 -0.03 0.00 -1.53 0.00 0.00 36.38 30.69 2k60 s VAL 83 CO -0.10 0.23 0.57 -0.62 -3.33 0.00 0.00 175.10 171.86 2k60 s ASP 84 N 0.84 6.28 0.28 3.54 2.15 -1.26 -3.26 116.67 125.24 2k60 s ASP 84 Ca 0.37 0.49 0.02 0.00 0.43 0.00 0.00 52.55 53.86 2k60 s ASP 84 Cb -0.17 -2.04 0.63 0.00 -0.30 0.00 0.00 42.92 41.03 2k60 s ASP 84 CO 0.17 -0.33 1.76 -0.37 -0.17 0.00 0.00 175.17 176.23 2k60 h VAL 85 N 0.69 0.70 -0.13 1.11 -1.51 -1.97 -0.34 116.25 114.80 2k60 h VAL 85 Ca -0.49 -0.23 -0.12 0.00 -1.23 0.00 0.00 66.70 64.63 2k60 h VAL 85 Cb 1.22 -0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 2k60 h VAL 85 CO 0.61 0.12 -0.46 -0.33 -1.23 0.00 0.00 177.57 176.29 2k60 h GLU 86 N 0.66 0.33 -0.38 5.19 4.39 -1.99 -3.00 114.58 119.78 2k60 h GLU 86 Ca 0.52 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.89 2k60 h GLU 86 Cb 0.78 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2k60 h GLU 86 CO -0.39 0.72 -0.36 0.93 -1.16 0.00 0.00 179.01 178.75 2k60 h GLU 87 N 0.27 0.92 -0.00 2.33 5.08 -1.38 -2.75 114.58 119.04 2k60 h GLU 87 Ca 0.02 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2k60 h GLU 87 Cb 0.91 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2k60 h GLU 87 CO 0.08 1.13 0.00 -1.13 -1.00 0.00 0.00 179.01 178.09 2k60 n SER 88 N -4.09 0.25 -0.17 1.42 3.41 -0.94 -4.46 113.62 109.04 2k60 n SER 88 Ca -0.02 -1.11 -0.05 0.00 -0.26 0.00 0.00 58.87 57.43 2k60 n SER 88 Cb 0.53 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 2k60 n SER 88 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k60 h ASP 89 N 0.38 -0.91 0.50 4.04 3.58 -1.35 0.27 116.42 122.94 2k60 h ASP 89 Ca 0.00 0.14 -0.30 0.00 0.42 0.00 0.00 57.03 57.29 2k60 h ASP 89 Cb 0.08 0.40 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 2k60 h ASP 89 CO 0.00 -0.10 -1.43 1.05 -2.88 0.00 0.00 179.24 175.88 2k60 h GLU 90 N -0.00 0.27 0.05 0.28 4.11 -1.86 -3.41 114.58 114.02 2k60 h GLU 90 Ca 0.07 -0.46 0.00 0.00 0.07 0.00 0.00 59.36 59.03 2k60 h GLU 90 Cb 0.17 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2k60 h GLU 90 CO -0.39 1.16 -0.14 0.74 0.07 0.00 0.00 179.01 180.45 2k60 h PHE 91 N 0.07 -0.41 -0.18 2.06 0.04 -1.41 -1.50 116.94 115.61 2k60 h PHE 91 Ca -0.21 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.58 2k60 h PHE 91 Cb 2.01 0.17 -0.02 0.00 2.20 0.00 0.00 35.95 40.31 2k60 h PHE 91 CO 0.07 -0.17 0.08 1.25 -0.60 0.00 0.00 178.31 178.94 2k60 h LEU 92 N -0.22 0.12 -0.02 1.54 5.85 -1.27 0.51 115.31 121.81 2k60 h LEU 92 Ca -0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2k60 h LEU 92 Cb 0.21 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2k60 h LEU 92 CO -0.07 0.09 -0.22 0.03 -0.34 0.00 0.00 178.44 177.93 2k60 h ARG 93 N 0.18 -0.26 0.00 1.25 3.08 -1.67 -0.26 114.38 116.70 2k60 h ARG 93 Ca 0.07 0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.97 2k60 h ARG 93 Cb 0.02 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2k60 h ARG 93 CO -0.06 -0.17 -0.96 0.93 -1.07 0.00 0.00 179.97 178.64 2k60 h GLU 94 N -0.27 0.00 0.00 0.04 5.08 -1.29 0.47 114.58 118.62 2k60 h GLU 94 Ca 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k60 h GLU 94 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2k60 h GLU 94 CO -0.16 1.00 -0.02 0.22 -1.00 0.00 0.00 179.01 179.05 2k60 h ASP 95 N -0.99 0.00 0.00 1.42 3.58 -0.94 -1.45 116.42 118.05 2k60 h ASP 95 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2k60 h ASP 95 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2k60 h ASP 95 CO -0.16 0.02 -0.13 0.00 -2.88 0.00 0.00 179.24 176.09 2k60 n LEU 96 N -3.48 0.00 -0.01 2.28 -0.00 -0.80 -4.58 117.00 110.41 2k60 n LEU 96 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.10 2k60 n LEU 96 Cb 0.11 0.00 0.23 0.00 -0.00 0.00 0.00 43.42 43.76 2k60 n LEU 96 CO 0.25 0.00 0.43 -3.20 -0.00 0.00 0.00 177.39 174.87 2k60 n ASN 97 N -0.46 0.55 -0.65 1.45 4.05 -0.14 -4.83 115.26 115.24 2k60 n ASN 97 Ca 0.00 -0.32 -0.05 0.00 0.45 0.00 0.00 54.58 54.66 2k60 n ASN 97 Cb 0.03 0.30 -0.02 0.00 1.23 0.00 0.00 39.78 41.32 2k60 n ASN 97 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k60 n TYR 98 N -1.47 -0.30 0.00 1.20 4.11 0.15 -4.29 117.16 116.56 2k60 n TYR 98 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.96 2k60 n TYR 98 Cb 0.34 -1.61 0.00 0.00 -0.00 0.00 0.00 39.34 38.06 2k60 n TYR 98 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 2k60 n HIS 99 N -1.23 0.00 -4.29 -3.48 -0.00 -1.13 -4.91 115.22 100.17 2k60 n HIS 99 Ca -0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.47 2k60 n HIS 99 Cb 0.25 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.08 2k60 n HIS 99 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2k60 s ASP 100 N 2.00 1.13 0.00 0.26 -4.77 -1.26 -4.58 116.67 109.45 2k60 s ASP 100 Ca 0.00 -0.17 0.18 0.00 -3.30 0.00 0.00 52.55 49.26 2k60 s ASP 100 Cb 0.00 -0.50 0.98 0.00 -1.09 0.00 0.00 42.92 42.31 2k60 s ASP 100 CO 0.00 -0.01 1.64 -0.81 0.70 0.00 0.00 175.17 176.69 2k60 n PRO 101 N 3.83 1.16 -0.15 2.11 -0.04 -1.26 -3.88 135.00 136.77 2k60 n PRO 101 Ca -0.24 -0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.11 2k60 n PRO 101 Cb 0.52 -1.30 0.46 0.00 -0.04 0.00 0.00 33.50 33.14 2k60 n PRO 101 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k60 h THR 102 N 0.47 0.87 0.66 0.52 2.02 -1.98 0.26 112.91 115.74 2k60 h THR 102 Ca 0.00 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2k60 h THR 102 Cb 0.10 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2k60 h THR 102 CO 0.00 0.09 -0.32 0.58 0.37 0.00 0.00 175.52 176.24 2k60 h VAL 103 N 0.50 0.29 -0.31 3.16 2.07 -1.98 -0.63 116.25 119.35 2k60 h VAL 103 Ca 0.33 -0.15 -0.17 0.00 0.82 0.00 0.00 66.70 67.53 2k60 h VAL 103 Cb 0.62 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2k60 h VAL 103 CO -0.11 0.02 -0.48 0.11 0.02 0.00 0.00 177.57 177.13 2k60 h LYS 104 N -1.00 0.83 0.81 1.57 1.79 -1.66 0.29 116.57 119.19 2k60 h LYS 104 Ca -0.09 -0.49 -0.04 0.00 -2.18 0.00 0.00 60.65 57.85 2k60 h LYS 104 Cb 0.71 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2k60 h LYS 104 CO 0.15 1.12 -0.39 0.45 -1.08 0.00 0.00 179.45 179.70 2k60 h HIS 105 N 0.66 -1.00 0.00 -1.35 3.86 -0.53 -0.39 115.15 116.39 2k60 h HIS 105 Ca 0.03 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2k60 h HIS 105 Cb 1.07 0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.87 2k60 h HIS 105 CO 0.06 -0.62 0.00 0.77 0.86 0.00 0.00 177.93 179.00 2k60 h SER 106 N -1.10 0.00 0.06 2.45 0.02 -1.15 -1.01 113.55 112.81 2k60 h SER 106 Ca -0.11 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.67 2k60 h SER 106 Cb 0.83 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.39 2k60 h SER 106 CO 0.18 0.00 -0.68 0.74 -1.14 0.00 0.00 176.83 175.93 2k60 h THR 107 N 0.00 1.47 0.30 -2.27 2.02 -0.90 -2.84 112.91 110.69 2k60 h THR 107 Ca 0.00 -2.26 -0.01 0.00 0.77 0.00 0.00 66.41 64.90 2k60 h THR 107 Cb 0.78 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 2k60 h THR 107 CO 0.00 0.65 -0.14 0.15 0.37 0.00 0.00 175.52 176.55 2k60 h PHE 108 N -0.23 -0.37 0.09 3.16 3.57 -0.89 -3.38 116.94 118.89 2k60 h PHE 108 Ca -0.10 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2k60 h PHE 108 Cb 1.44 0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.30 2k60 h PHE 108 CO 0.17 -0.23 -0.04 1.25 -2.23 0.00 0.00 178.31 177.22 2k60 h HIS 109 N -1.10 -0.11 0.00 0.41 2.76 -1.39 -3.48 115.15 112.24 2k60 h HIS 109 Ca -0.04 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2k60 h HIS 109 Cb 0.31 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.31 2k60 h HIS 109 CO 0.00 0.38 0.00 0.41 -1.30 0.00 0.00 177.93 177.42 2k60 n GLY 110 N 1.05 2.52 0.12 5.26 0.00 -1.07 -4.59 105.19 108.48 2k60 n GLY 110 Ca -0.07 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.38 2k60 n GLY 110 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2k60 h GLU 111 N 0.00 0.00 0.00 1.61 4.81 -1.89 -3.44 114.58 115.67 2k60 h GLU 111 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k60 h GLU 111 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2k60 h GLU 111 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.81 2k60 n ASP 112 N -2.71 0.00 -0.02 1.04 2.03 -1.26 -5.08 116.55 110.55 2k60 n ASP 112 Ca 0.00 -0.26 0.03 0.00 0.52 0.00 0.00 54.79 55.08 2k60 n ASP 112 Cb 0.55 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.98 2k60 n ASP 112 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k60 n LYS 113 N 0.00 2.55 -3.11 -0.67 4.01 -1.26 -4.18 118.16 115.50 2k60 n LYS 113 Ca 0.00 -1.78 -0.40 0.00 -0.51 0.00 0.00 58.31 55.63 2k60 n LYS 113 Cb 0.00 -1.13 -0.05 0.00 -0.51 0.00 0.00 35.03 33.34 2k60 n LYS 113 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2k60 s LEU 114 N -1.48 4.25 -0.09 -0.35 1.43 -1.26 -4.66 118.68 116.52 2k60 s LEU 114 Ca 0.08 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.19 2k60 s LEU 114 Cb 0.07 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 2k60 s LEU 114 CO 0.01 -0.16 -0.02 -0.63 0.23 0.00 0.00 176.35 175.78 2k60 s ILE 115 N 1.17 4.09 -0.01 -0.59 -1.09 -1.20 -4.43 121.20 119.14 2k60 s ILE 115 Ca 0.33 -0.32 0.06 0.00 -2.23 0.00 0.00 60.65 58.48 2k60 s ILE 115 Cb -0.17 -2.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 2k60 s ILE 115 CO 0.14 0.59 -0.18 -0.44 -1.23 0.00 0.00 174.94 173.82 2k60 s SER 116 N -0.70 2.09 0.08 3.58 0.01 -1.26 -0.28 113.70 117.22 2k60 s SER 116 Ca 0.11 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 2k60 s SER 116 Cb -0.12 -0.23 -0.16 0.00 0.21 0.00 0.00 66.02 65.73 2k60 s SER 116 CO 0.02 0.21 1.65 0.58 0.41 0.00 0.00 173.24 176.11 2k60 h VAL 117 N 4.68 0.50 0.00 3.43 2.07 -1.07 0.38 116.25 126.23 2k60 h VAL 117 Ca -0.37 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 2k60 h VAL 117 Cb 1.15 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2k60 h VAL 117 CO 0.48 0.00 -0.36 1.05 0.02 0.00 0.00 177.57 178.76 2k60 h GLU 118 N -0.61 0.00 -0.09 1.57 4.11 -1.98 0.17 114.58 117.75 2k60 h GLU 118 Ca -0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.23 2k60 h GLU 118 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2k60 h GLU 118 CO 0.04 0.36 -0.62 0.22 0.07 0.00 0.00 179.01 179.08 2k60 h ASP 119 N 0.00 0.38 -0.32 3.06 3.58 -1.81 -0.84 116.42 120.47 2k60 h ASP 119 Ca -0.00 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.20 2k60 h ASP 119 Cb 0.64 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2k60 h ASP 119 CO 0.05 0.90 0.11 -0.07 -2.88 0.00 0.00 179.24 177.34 2k60 h LEU 120 N 0.24 0.46 -0.28 2.28 3.38 0.77 0.17 115.31 122.34 2k60 h LEU 120 Ca -0.01 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.83 2k60 h LEU 120 Cb 1.14 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 2k60 h LEU 120 CO 0.10 0.53 -0.29 -0.25 0.09 0.00 0.00 178.44 178.62 2k60 h TRP 121 N 0.36 -0.79 -0.58 1.13 2.91 -0.14 0.74 115.95 119.58 2k60 h TRP 121 Ca 0.10 0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 2k60 h TRP 121 Cb 0.23 0.39 -0.03 0.00 -0.51 0.00 0.00 29.16 29.25 2k60 h TRP 121 CO 0.00 -0.36 0.27 0.87 -1.03 0.00 0.00 178.44 178.20 2k60 h LYS 122 N -0.28 0.83 -0.13 2.65 6.56 -1.05 -1.76 116.57 123.39 2k60 h LYS 122 Ca 0.14 -0.12 -0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2k60 h LYS 122 Cb 0.51 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.02 2k60 h LYS 122 CO -0.44 0.68 0.06 0.00 -2.06 0.00 0.00 179.45 177.70 2k60 h ALA 123 N 1.11 0.17 -0.41 3.86 0.00 -0.01 -2.69 119.26 121.29 2k60 h ALA 123 Ca 0.20 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.10 2k60 h ALA 123 Cb 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2k60 h ALA 123 CO -0.02 -0.27 0.07 2.35 0.00 0.00 0.00 179.25 181.38 2k60 h TRP 124 N 0.09 0.12 0.00 0.00 7.01 0.60 0.40 115.95 124.18 2k60 h TRP 124 Ca 0.05 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 2k60 h TRP 124 Cb 0.12 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2k60 h TRP 124 CO -0.03 0.00 -0.01 0.87 -2.79 0.00 0.00 178.44 176.48 2k60 h LYS 125 N 0.20 0.00 -0.01 2.65 1.57 -1.17 -1.27 116.57 118.54 2k60 h LYS 125 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2k60 h LYS 125 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2k60 h LYS 125 CO -0.27 0.01 -0.58 0.45 -0.57 0.00 0.00 179.45 178.48 2k60 n SER 126 N -3.31 1.31 -4.96 0.86 2.88 0.29 -4.84 113.62 105.85 2k60 n SER 126 Ca -0.03 -1.16 -0.22 0.00 -1.33 0.00 0.00 58.87 56.14 2k60 n SER 126 Cb 0.11 0.72 0.02 0.00 -0.75 0.00 0.00 64.21 64.30 2k60 n SER 126 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k60 s SER 127 N -2.34 5.70 0.33 -3.46 0.01 0.12 -4.98 113.70 109.08 2k60 s SER 127 Ca 0.11 0.20 0.06 0.00 1.31 0.00 0.00 55.95 57.63 2k60 s SER 127 Cb 0.14 -1.36 0.73 0.00 0.21 0.00 0.00 66.02 65.75 2k60 s SER 127 CO 0.57 -0.81 1.86 -0.33 0.41 0.00 0.00 173.24 174.95 2k60 h GLU 128 N 0.33 0.76 -0.43 12.44 4.39 -1.87 -2.73 114.58 127.47 2k60 h GLU 128 Ca -0.45 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.29 2k60 h GLU 128 Cb 1.26 -0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 29.65 2k60 h GLU 128 CO 0.56 0.51 -0.18 -0.24 -1.16 0.00 0.00 179.01 178.49 2k60 h VAL 129 N 0.79 0.43 0.00 3.13 3.04 -1.82 -1.28 116.25 120.54 2k60 h VAL 129 Ca 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.15 2k60 h VAL 129 Cb 0.64 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 2k60 h VAL 129 CO -0.22 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.34 2k60 n TYR 130 N -5.37 0.83 0.08 3.17 9.36 -1.03 -1.80 117.16 122.40 2k60 n TYR 130 Ca 0.03 0.31 0.07 0.00 3.32 0.00 0.00 57.90 61.63 2k60 n TYR 130 Cb 0.28 -1.00 -0.02 0.00 -0.63 0.00 0.00 39.34 37.97 2k60 n TYR 130 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 2k60 h ASN 131 N 0.00 0.00 -2.81 2.98 -1.24 -1.33 -3.45 115.58 109.73 2k60 h ASN 131 Ca 0.00 0.00 -0.56 0.00 0.71 0.00 0.00 56.30 56.45 2k60 h ASN 131 Cb 0.44 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.46 2k60 h ASN 131 CO 0.00 0.23 0.98 0.26 -1.29 0.00 0.00 177.43 177.61 2k60 s TRP 132 N -3.19 2.51 0.04 0.67 0.51 -0.75 -4.98 118.94 113.76 2k60 s TRP 132 Ca -0.01 0.70 -0.01 0.00 -2.12 0.00 0.00 56.10 54.67 2k60 s TRP 132 Cb 0.09 -3.68 0.01 0.00 -0.81 0.00 0.00 33.47 29.08 2k60 s TRP 132 CO 0.79 -2.49 0.06 -2.37 -0.51 0.00 0.00 176.95 172.43 2k60 n THR 133 N 5.50 0.00 -0.17 2.01 5.66 -1.26 -1.45 114.28 124.57 2k60 n THR 133 Ca 0.15 -0.05 -0.09 0.00 -3.05 0.00 0.00 64.05 61.01 2k60 n THR 133 Cb 0.44 -1.82 0.01 0.00 -1.55 0.00 0.00 70.33 67.40 2k60 n THR 133 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2k60 h VAL 134 N -0.88 1.24 -0.34 1.08 2.07 -1.96 0.17 116.25 117.64 2k60 h VAL 134 Ca -0.02 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.69 2k60 h VAL 134 Cb 0.05 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2k60 h VAL 134 CO 0.01 0.30 0.17 -0.78 0.02 0.00 0.00 177.57 177.29 2k60 h ASP 135 N 0.67 0.25 -0.05 0.57 3.58 -1.94 0.16 116.42 119.66 2k60 h ASP 135 Ca 0.15 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2k60 h ASP 135 Cb 0.33 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 2k60 h ASP 135 CO 0.00 0.19 0.03 -0.33 -2.88 0.00 0.00 179.24 176.25 2k60 h GLU 136 N 0.35 0.08 -0.27 0.28 4.39 -1.88 -1.48 114.58 116.05 2k60 h GLU 136 Ca 0.14 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 2k60 h GLU 136 Cb 0.05 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2k60 h GLU 136 CO -0.10 0.12 -0.08 -0.24 -1.16 0.00 0.00 179.01 177.56 2k60 h VAL 137 N 0.01 1.20 -0.12 3.13 3.04 -0.62 -0.17 116.25 122.74 2k60 h VAL 137 Ca 0.02 -0.86 -0.00 0.00 -1.01 0.00 0.00 66.70 64.85 2k60 h VAL 137 Cb 0.06 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 2k60 h VAL 137 CO -0.00 0.28 0.05 0.58 -1.01 0.00 0.00 177.57 177.47 2k60 h VAL 138 N 0.41 1.12 0.00 1.51 2.07 -0.25 0.55 116.25 121.67 2k60 h VAL 138 Ca 0.08 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 2k60 h VAL 138 Cb 0.39 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2k60 h VAL 138 CO 0.02 0.11 -0.44 0.06 0.02 0.00 0.00 177.57 177.34 2k60 h GLN 139 N 0.06 0.00 -0.08 1.57 3.07 -0.94 -1.56 115.11 117.22 2k60 h GLN 139 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.73 2k60 h GLN 139 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.69 2k60 h GLN 139 CO -0.00 0.44 -0.15 2.35 0.09 0.00 0.00 178.83 181.56 2k60 h TRP 140 N 0.00 0.31 -0.71 0.06 2.91 -0.66 -0.68 115.95 117.18 2k60 h TRP 140 Ca -0.00 -0.11 -0.05 0.00 1.13 0.00 0.00 58.89 59.86 2k60 h TRP 140 Cb 0.81 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 29.37 2k60 h TRP 140 CO 0.00 0.74 0.25 1.37 -1.03 0.00 0.00 178.44 179.77 2k60 h LEU 141 N -0.21 1.00 -0.01 0.65 8.10 0.36 0.12 115.31 125.32 2k60 h LEU 141 Ca 0.01 -0.17 -0.01 0.00 0.11 0.00 0.00 57.88 57.82 2k60 h LEU 141 Cb 0.72 -0.26 -0.00 0.00 -0.44 0.00 0.00 40.66 40.68 2k60 h LEU 141 CO 0.03 0.91 -0.02 0.16 -4.11 0.00 0.00 178.44 175.42 2k60 h ILE 142 N 1.04 1.44 0.00 0.15 3.07 -1.26 0.31 117.51 122.26 2k60 h ILE 142 Ca 0.23 -1.32 0.00 0.00 1.55 0.00 0.00 64.86 65.33 2k60 h ILE 142 Cb 0.26 2.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 2k60 h ILE 142 CO -0.01 0.35 0.00 0.00 -1.05 0.00 0.00 178.15 177.43 2k60 h THR 143 N -0.51 0.00 0.00 0.16 1.03 -0.83 -0.67 112.91 112.08 2k60 h THR 143 Ca 0.00 -0.46 -0.09 0.00 -0.01 0.00 0.00 66.41 65.85 2k60 h THR 143 Cb 0.58 1.40 -0.01 0.00 -1.07 0.00 0.00 68.15 69.04 2k60 h THR 143 CO 0.00 0.00 -1.01 -1.22 -0.01 0.00 0.00 175.52 173.28 2k60 n TYR 144 N -2.90 0.00 0.15 0.00 4.01 0.38 -4.72 117.16 114.08 2k60 n TYR 144 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 2k60 n TYR 144 Cb 0.29 -0.28 0.17 0.00 -0.31 0.00 0.00 39.34 39.22 2k60 n TYR 144 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k60 h VAL 145 N -0.36 1.06 -2.55 -0.72 2.07 -0.52 -3.47 116.25 111.74 2k60 h VAL 145 Ca -0.14 -2.03 -0.21 0.00 0.82 0.00 0.00 66.70 65.14 2k60 h VAL 145 Cb 0.83 2.21 0.03 0.00 -1.52 0.00 0.00 31.29 32.84 2k60 h VAL 145 CO -0.08 0.51 -0.32 -0.62 0.02 0.00 0.00 177.57 177.08 2k60 n GLU 146 N -3.46 -2.55 -3.56 1.57 1.02 -0.26 -4.84 120.64 108.55 2k60 n GLU 146 Ca 0.00 0.47 -0.41 0.00 -0.02 0.00 0.00 57.16 57.21 2k60 n GLU 146 Cb 0.64 -4.43 -0.09 0.00 -0.02 0.00 0.00 31.44 27.54 2k60 n GLU 146 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k60 s LEU 147 N -3.70 5.47 -0.04 -4.62 2.01 -1.24 -4.94 118.68 111.63 2k60 s LEU 147 Ca 0.16 -1.71 0.02 0.00 0.01 0.00 0.00 54.13 52.61 2k60 s LEU 147 Cb -0.07 -2.01 0.11 0.00 0.01 0.00 0.00 46.19 44.23 2k60 s LEU 147 CO 0.19 -0.63 0.75 -0.81 1.01 0.00 0.00 176.35 176.87 2k60 n PRO 148 N 4.93 1.47 -0.45 1.29 -0.05 -1.26 -3.34 135.00 137.59 2k60 n PRO 148 Ca -0.09 -0.43 0.09 0.00 -0.05 0.00 0.00 63.50 63.02 2k60 n PRO 148 Cb 0.42 -1.53 0.30 0.00 -0.05 0.00 0.00 33.50 32.64 2k60 n PRO 148 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 2k60 n GLN 149 N 0.12 3.01 -0.36 0.54 -0.06 -1.26 -4.57 117.38 114.80 2k60 n GLN 149 Ca 0.05 -2.38 0.06 0.00 -2.00 0.00 0.00 57.00 52.73 2k60 n GLN 149 Cb 0.43 -1.69 0.23 0.00 -4.06 0.00 0.00 30.24 25.15 2k60 n GLN 149 CO 0.00 0.00 0.00 0.10 -0.20 0.00 0.00 177.06 176.96 2k60 h TYR 150 N 3.59 1.15 0.41 3.69 -0.00 -1.95 -0.73 116.97 123.12 2k60 h TYR 150 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.75 2k60 h TYR 150 Cb 1.11 -0.37 -0.02 0.00 -0.00 0.00 0.00 36.73 37.46 2k60 h TYR 150 CO 0.57 0.49 -0.35 1.49 -0.00 0.00 0.00 178.16 180.36 2k60 h GLU 151 N 1.03 -0.74 -0.28 0.10 4.57 -1.92 0.65 114.58 117.98 2k60 h GLU 151 Ca 0.48 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.69 2k60 h GLU 151 Cb 0.43 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2k60 h GLU 151 CO -0.24 -0.49 0.09 0.93 -1.18 0.00 0.00 179.01 178.12 2k60 h GLU 152 N -0.76 0.44 -0.34 1.92 4.39 -1.75 -1.46 114.58 117.01 2k60 h GLU 152 Ca -0.03 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 2k60 h GLU 152 Cb 0.67 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2k60 h GLU 152 CO -0.03 0.50 -0.12 0.00 -1.16 0.00 0.00 179.01 178.20 2k60 h THR 153 N 0.29 1.28 -0.28 1.13 1.03 -1.01 0.10 112.91 115.46 2k60 h THR 153 Ca 0.09 -1.21 -0.11 0.00 -0.01 0.00 0.00 66.41 65.17 2k60 h THR 153 Cb 0.24 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 68.66 2k60 h THR 153 CO -0.00 0.40 -0.28 2.19 -0.01 0.00 0.00 175.52 177.81 2k60 h PHE 154 N 0.47 0.65 0.00 0.00 -5.15 -0.81 0.08 116.94 112.18 2k60 h PHE 154 Ca 0.08 -0.15 -0.06 0.00 -0.20 0.00 0.00 57.97 57.64 2k60 h PHE 154 Cb 0.64 -0.15 -0.01 0.00 0.22 0.00 0.00 35.95 36.65 2k60 h PHE 154 CO 0.05 0.79 -0.28 0.07 -2.00 0.00 0.00 178.31 176.95 2k60 h ARG 155 N 0.50 0.00 0.01 6.09 0.11 -1.02 0.22 114.38 120.28 2k60 h ARG 155 Ca 0.07 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 2k60 h ARG 155 Cb 0.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.82 2k60 h ARG 155 CO 0.06 0.28 -0.01 0.87 0.10 0.00 0.00 179.97 181.27 2k60 h LYS 156 N 0.00 -0.02 0.00 0.08 1.79 0.09 -3.42 116.57 115.09 2k60 h LYS 156 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k60 h LYS 156 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2k60 h LYS 156 CO 0.04 0.77 -0.58 1.47 -1.08 0.00 0.00 179.45 180.07 2k60 n LEU 157 N -4.69 0.01 -2.76 2.94 -0.00 -0.07 -5.03 117.00 107.39 2k60 n LEU 157 Ca -0.09 -0.22 -0.01 0.00 -0.00 0.00 0.00 56.01 55.70 2k60 n LEU 157 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 2k60 n LEU 157 CO 0.31 0.00 -0.46 0.00 -0.00 0.00 0.00 177.39 177.23 2k60 n GLN 158 N -1.29 -3.28 -2.83 1.47 6.02 0.76 -5.02 117.38 113.22 2k60 n GLN 158 Ca -0.00 2.66 -0.23 0.00 -0.01 0.00 0.00 57.00 59.42 2k60 n GLN 158 Cb 0.01 -5.18 0.02 0.00 1.02 0.00 0.00 30.24 26.11 2k60 n GLN 158 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2k60 s LEU 159 N -1.67 3.51 0.00 1.08 2.34 -1.26 -4.89 118.68 117.79 2k60 s LEU 159 Ca 0.02 0.30 0.00 0.00 0.06 0.00 0.00 54.13 54.50 2k60 s LEU 159 Cb -0.00 -3.16 0.00 0.00 -0.56 0.00 0.00 46.19 42.46 2k60 s LEU 159 CO 0.75 -0.84 0.00 -1.54 -1.06 0.00 0.00 176.35 173.65 2k60 n SER 160 N -2.21 0.00 0.29 1.48 3.41 -1.26 -3.74 113.62 111.59 2k60 n SER 160 Ca 0.03 -0.02 0.16 0.00 -0.26 0.00 0.00 58.87 58.79 2k60 n SER 160 Cb 0.58 0.00 0.88 0.00 -0.26 0.00 0.00 64.21 65.41 2k60 n SER 160 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2k60 h GLY 161 N 0.00 0.00 1.17 5.00 0.00 -1.31 0.20 103.07 108.13 2k60 h GLY 161 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2k60 h GLY 161 CO 0.00 0.00 -1.57 0.84 0.00 0.00 0.00 176.54 175.81 2k60 h HIS 162 N 0.00 0.76 -0.11 5.60 -0.00 -1.86 -3.32 115.15 116.23 2k60 h HIS 162 Ca -0.00 -0.55 -0.11 0.00 -0.00 0.00 0.00 60.37 59.70 2k60 h HIS 162 Cb 0.23 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2k60 h HIS 162 CO 0.00 1.55 -0.44 0.00 -0.00 0.00 0.00 177.93 179.04 2k60 h ALA 163 N 0.24 1.06 -0.36 5.26 0.00 -1.67 -2.34 119.26 121.44 2k60 h ALA 163 Ca -0.28 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.26 2k60 h ALA 163 Cb 2.10 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.72 2k60 h ALA 163 CO 0.22 0.61 -0.44 0.52 0.00 0.00 0.00 179.25 180.16 2k60 h MET 164 N 0.21 -0.35 -0.27 0.00 2.86 -0.73 0.71 114.93 117.35 2k60 h MET 164 Ca 0.02 0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.52 2k60 h MET 164 Cb 0.86 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2k60 h MET 164 CO 0.07 -0.23 -0.48 -1.00 1.06 0.00 0.00 176.91 176.33 2k60 h PRO 165 N -0.36 0.73 0.00 -0.22 0.13 -1.73 -1.96 132.00 128.60 2k60 h PRO 165 Ca 0.12 -0.42 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 2k60 h PRO 165 Cb 0.59 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 2k60 h PRO 165 CO -0.55 1.05 -0.11 0.07 -0.23 0.00 0.00 178.00 178.22 2k60 h ARG 166 N 0.58 0.00 0.00 0.86 -0.00 -0.70 -2.31 114.38 112.80 2k60 h ARG 166 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.01 2k60 h ARG 166 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.01 2k60 h ARG 166 CO 0.10 0.11 -0.83 1.47 -0.00 0.00 0.00 179.97 180.82 2k60 n LEU 167 N -4.34 0.63 0.00 0.08 -0.00 0.24 -4.08 117.00 109.53 2k60 n LEU 167 Ca -0.03 0.02 0.09 0.00 -0.00 0.00 0.00 56.01 56.09 2k60 n LEU 167 Cb 0.19 -0.14 0.46 0.00 -0.00 0.00 0.00 43.42 43.93 2k60 n LEU 167 CO 0.35 0.05 0.76 0.00 -0.00 0.00 0.00 177.39 178.54 2k60 n ALA 168 N -1.75 2.00 -4.07 1.47 0.00 -0.74 -4.50 120.51 112.91 2k60 n ALA 168 Ca 0.03 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 2k60 n ALA 168 Cb 0.41 -1.29 -0.16 0.00 0.00 0.00 0.00 19.45 18.41 2k60 n ALA 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k60 s VAL 169 N -2.47 1.87 0.58 0.00 0.11 -1.25 -4.45 120.40 114.79 2k60 s VAL 169 Ca 0.19 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 2k60 s VAL 169 Cb 0.12 -1.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.20 2k60 s VAL 169 CO 0.26 0.41 0.00 0.35 -3.33 0.00 0.00 175.10 172.79 2k60 n THR 170 N 4.65 -2.17 0.11 5.04 -2.24 -1.26 -4.41 114.28 114.00 2k60 n THR 170 Ca -0.18 1.24 -0.04 0.00 -2.27 0.00 0.00 64.05 62.80 2k60 n THR 170 Cb 0.49 -2.02 0.12 0.00 -2.10 0.00 0.00 70.33 66.82 2k60 n THR 170 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k60 h ASN 171 N -0.38 0.15 -0.71 3.42 7.08 -1.89 -3.30 115.58 119.95 2k60 h ASN 171 Ca -0.07 -0.09 0.16 0.00 -3.08 0.00 0.00 56.30 53.22 2k60 h ASN 171 Cb 1.07 -0.04 -0.12 0.00 -2.08 0.00 0.00 38.32 37.15 2k60 h ASN 171 CO 0.03 0.75 0.04 0.74 -2.08 0.00 0.00 177.43 176.91 2k60 h THR 172 N 0.09 0.42 0.24 6.14 2.02 -1.92 0.91 112.91 120.81 2k60 h THR 172 Ca -0.01 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 2k60 h THR 172 Cb 1.15 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2k60 h THR 172 CO 0.09 0.03 -0.11 0.74 0.37 0.00 0.00 175.52 176.63 2k60 h THR 173 N 0.14 0.82 0.10 3.16 2.02 -1.77 -3.34 112.91 114.05 2k60 h THR 173 Ca 0.39 -0.39 -0.26 0.00 0.77 0.00 0.00 66.41 66.92 2k60 h THR 173 Cb 0.67 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2k60 h THR 173 CO -0.59 0.09 -1.19 -0.03 0.37 0.00 0.00 175.52 174.16 2k60 h MET 174 N -0.52 0.23 -6.12 6.66 1.85 -1.44 -3.42 114.93 112.18 2k60 h MET 174 Ca -0.03 -0.39 -0.51 0.00 -0.61 0.00 0.00 59.70 58.16 2k60 h MET 174 Cb 0.38 0.14 -0.06 0.00 0.43 0.00 0.00 31.60 32.49 2k60 h MET 174 CO 0.05 1.18 1.18 -0.08 -0.40 0.00 0.00 176.91 178.85 2k60 s THR 175 N -2.69 3.60 0.15 -0.77 -1.32 0.22 -4.79 115.64 110.04 2k60 s THR 175 Ca -0.03 0.06 -0.10 0.00 -1.21 0.00 0.00 61.69 60.41 2k60 s THR 175 Cb 0.08 -4.52 -0.06 0.00 -1.51 0.00 0.00 72.50 66.49 2k60 s THR 175 CO 0.87 -1.46 1.46 1.23 -2.21 0.00 0.00 174.62 174.52 2k60 h GLY 176 N 14.68 0.96 0.00 6.08 0.00 -1.88 -3.47 103.07 119.44 2k60 h GLY 176 Ca -0.15 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.15 2k60 h GLY 176 CO 1.28 0.93 0.00 2.41 0.00 0.00 0.00 176.54 181.15 2k60 n THR 177 N -4.03 0.00 -4.06 4.70 -1.04 -1.26 -5.08 114.28 103.50 2k60 n THR 177 Ca -0.03 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 2k60 n THR 177 Cb 0.58 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.93 2k60 n THR 177 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k60 s VAL 178 N -0.29 2.02 -0.35 12.58 0.11 -1.26 -5.03 120.40 128.19 2k60 s VAL 178 Ca 0.00 -1.35 0.07 0.00 -2.93 0.00 0.00 61.98 57.76 2k60 s VAL 178 Cb 0.00 -2.06 0.19 0.00 -1.53 0.00 0.00 36.38 32.98 2k60 s VAL 178 CO 0.00 0.13 0.62 -0.22 -3.33 0.00 0.00 175.10 172.30 2k60 s LEU 179 N 1.21 -1.56 -0.08 2.54 2.96 -1.26 -4.77 118.68 117.71 2k60 s LEU 179 Ca -0.04 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 53.52 2k60 s LEU 179 Cb -0.18 1.98 0.02 0.00 0.50 0.00 0.00 46.19 48.52 2k60 s LEU 179 CO -0.07 -0.23 0.13 1.17 -1.32 0.00 0.00 176.35 176.02 2k60 n LYS 180 N 4.91 -4.59 -0.17 1.98 3.00 -1.26 -4.87 118.16 117.16 2k60 n LYS 180 Ca 0.08 3.40 0.01 0.00 -0.00 0.00 0.00 58.31 61.80 2k60 n LYS 180 Cb 0.56 -4.60 0.28 0.00 0.00 0.00 0.00 35.03 31.27 2k60 n LYS 180 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 2k60 h MET 181 N 4.26 0.89 -6.40 1.64 1.85 -2.01 -3.39 114.93 111.78 2k60 h MET 181 Ca -0.29 -0.06 -0.55 0.00 -0.61 0.00 0.00 59.70 58.20 2k60 h MET 181 Cb 0.65 -0.20 -0.06 0.00 0.43 0.00 0.00 31.60 32.42 2k60 h MET 181 CO 0.00 0.59 1.11 0.95 -0.40 0.00 0.00 176.91 179.17 2k60 s THR 182 N -5.76 3.77 0.14 -0.77 -4.23 -1.26 -4.89 115.64 102.63 2k60 s THR 182 Ca -0.10 0.67 -0.26 0.00 -1.18 0.00 0.00 61.69 60.81 2k60 s THR 182 Cb 0.18 -4.38 -0.01 0.00 1.34 0.00 0.00 72.50 69.62 2k60 s THR 182 CO 0.77 -1.11 1.60 -0.78 -0.54 0.00 0.00 174.62 174.57 2k60 h ASP 183 N 11.24 -1.07 -0.31 3.99 3.58 -1.96 0.28 116.42 132.17 2k60 h ASP 183 Ca -0.27 0.16 -0.15 0.00 0.42 0.00 0.00 57.03 57.19 2k60 h ASP 183 Cb 1.10 0.46 -0.01 0.00 1.72 0.00 0.00 39.33 42.60 2k60 h ASP 183 CO 1.17 -0.36 -0.37 0.08 -2.88 0.00 0.00 179.24 176.87 2k60 h ARG 184 N -0.39 0.86 -0.45 0.28 -0.00 -1.95 0.32 114.38 113.05 2k60 h ARG 184 Ca 0.11 -0.44 -0.09 0.00 -0.00 0.00 0.00 59.98 59.56 2k60 h ARG 184 Cb 0.56 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.52 2k60 h ARG 184 CO -0.39 1.08 -0.07 1.03 -0.00 0.00 0.00 179.97 181.62 2k60 h SER 185 N 0.71 0.78 0.81 0.08 0.87 -1.90 0.26 113.55 115.16 2k60 h SER 185 Ca 0.06 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 2k60 h SER 185 Cb 0.95 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2k60 h SER 185 CO 0.09 0.89 -0.39 -0.74 -0.53 0.00 0.00 176.83 176.14 2k60 h HIS 186 N 0.73 -1.01 0.00 2.24 -0.00 -0.00 -1.50 115.15 115.60 2k60 h HIS 186 Ca 0.13 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.43 2k60 h HIS 186 Cb 0.54 0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 28.28 2k60 h HIS 186 CO 0.03 -0.63 -0.24 0.07 -0.00 0.00 0.00 177.93 177.16 2k60 h ARG 187 N -1.24 0.00 0.04 5.26 0.11 -0.83 -0.37 114.38 117.34 2k60 h ARG 187 Ca -0.11 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 2k60 h ARG 187 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 2k60 h ARG 187 CO 0.18 0.24 -0.02 1.96 0.10 0.00 0.00 179.97 182.44 2k60 h GLN 188 N 0.00 -0.05 -0.23 0.08 1.08 -0.43 0.18 115.11 115.75 2k60 h GLN 188 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2k60 h GLN 188 Cb 0.43 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2k60 h GLN 188 CO 0.03 0.30 0.06 0.87 -0.95 0.00 0.00 178.83 179.14 2k60 h LYS 189 N -0.40 0.36 -0.20 1.46 1.79 -0.90 -0.52 116.57 118.15 2k60 h LYS 189 Ca -0.00 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2k60 h LYS 189 Cb 0.37 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2k60 h LYS 189 CO 0.01 0.46 0.06 -0.07 -1.08 0.00 0.00 179.45 178.83 2k60 h LEU 190 N 0.19 0.30 -0.45 2.94 -0.00 -1.11 -1.71 115.31 115.48 2k60 h LEU 190 Ca 0.07 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.88 57.69 2k60 h LEU 190 Cb 0.26 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.82 2k60 h LEU 190 CO -0.00 0.44 0.10 0.06 -0.00 0.00 0.00 178.44 179.03 2k60 h GLN 191 N 0.15 0.72 0.15 1.13 3.07 -0.57 0.24 115.11 120.00 2k60 h GLN 191 Ca 0.06 -0.18 0.01 0.00 0.09 0.00 0.00 58.65 58.63 2k60 h GLN 191 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.70 2k60 h GLN 191 CO -0.00 0.73 -0.16 -0.07 0.09 0.00 0.00 178.83 179.42 2k60 h LEU 192 N 0.60 -0.43 0.24 0.06 -0.00 -0.99 0.68 115.31 115.46 2k60 h LEU 192 Ca 0.14 0.04 -0.34 0.00 -0.00 0.00 0.00 57.88 57.72 2k60 h LEU 192 Cb 0.34 0.15 0.03 0.00 -0.00 0.00 0.00 40.66 41.18 2k60 h LEU 192 CO 0.00 -0.24 -1.55 0.11 -0.00 0.00 0.00 178.44 176.76 2k60 h LYS 193 N -0.35 0.50 -0.36 1.13 6.56 -1.23 -1.55 116.57 121.27 2k60 h LYS 193 Ca 0.01 -0.86 -0.08 0.00 -1.06 0.00 0.00 60.65 58.65 2k60 h LYS 193 Cb 0.33 0.32 -0.01 0.00 -0.57 0.00 0.00 32.23 32.30 2k60 h LYS 193 CO -0.05 1.41 -0.10 0.00 -2.06 0.00 0.00 179.45 178.66 2k60 h ALA 194 N 0.14 0.50 -0.23 3.86 0.00 -0.53 0.49 119.26 123.48 2k60 h ALA 194 Ca -0.28 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2k60 h ALA 194 Cb 2.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2k60 h ALA 194 CO 0.25 0.36 -0.13 1.25 0.00 0.00 0.00 179.25 180.98 2k60 h LEU 195 N 0.50 0.52 -1.83 0.00 5.85 -0.95 0.15 115.31 119.55 2k60 h LEU 195 Ca 0.09 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2k60 h LEU 195 Cb 0.61 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2k60 h LEU 195 CO 0.04 0.83 -0.02 -0.78 -0.34 0.00 0.00 178.44 178.16 2k60 h ASP 196 N 0.21 0.06 -0.16 1.25 3.58 -1.21 0.05 116.42 120.22 2k60 h ASP 196 Ca 0.05 -0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.32 2k60 h ASP 196 Cb 0.64 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.68 2k60 h ASP 196 CO 0.04 0.11 -0.60 0.74 -2.88 0.00 0.00 179.24 176.64 2k60 h THR 197 N 0.07 1.32 0.00 2.25 2.02 -0.36 0.47 112.91 118.67 2k60 h THR 197 Ca 0.02 -1.84 -0.06 0.00 0.77 0.00 0.00 66.41 65.29 2k60 h THR 197 Cb 0.10 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2k60 h THR 197 CO 0.00 0.57 -0.28 -0.37 0.37 0.00 0.00 175.52 175.81 2k60 h VAL 198 N 0.36 0.63 0.00 3.16 -1.51 -0.11 -2.22 116.25 116.56 2k60 h VAL 198 Ca -0.03 -1.36 -0.10 0.00 -1.23 0.00 0.00 66.70 63.97 2k60 h VAL 198 Cb 1.23 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 32.29 2k60 h VAL 198 CO 0.13 0.28 -0.89 0.18 -1.23 0.00 0.00 177.57 176.04 2k60 n LEU 199 N -3.37 1.84 -0.11 4.19 4.77 -0.05 -4.47 117.00 119.80 2k60 n LEU 199 Ca 0.01 0.53 -0.17 0.00 -0.03 0.00 0.00 56.01 56.35 2k60 n LEU 199 Cb 0.50 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 2k60 n LEU 199 CO 0.35 -0.15 -0.92 0.33 -1.33 0.00 0.00 177.39 175.66 2k60 n PHE 200 N -4.53 0.18 -0.61 -1.77 -0.00 0.15 -4.94 117.46 105.95 2k60 n PHE 200 Ca -0.18 0.08 0.00 0.00 -0.00 0.00 0.00 57.45 57.34 2k60 n PHE 200 Cb 0.45 -0.76 0.00 0.00 -0.00 0.00 0.00 39.48 39.17 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17