#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 6.67 0.30 1.61 0.01 -0.79 -4.88 113.70 116.62 2k60 s SER -4 Ca 0.00 0.72 0.18 0.00 1.31 0.00 0.00 55.95 58.15 2k60 s SER -4 Cb 0.00 -2.40 0.12 0.00 0.21 0.00 0.00 66.02 63.95 2k60 s SER -4 CO 0.00 -0.57 1.41 0.45 0.41 0.00 0.00 173.24 174.94 2k60 h HIS -3 N 8.03 0.00 -0.63 2.43 -0.00 -1.99 -3.45 115.15 119.55 2k60 h HIS -3 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.13 2k60 h HIS -3 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2k60 h HIS -3 CO 0.77 0.33 0.00 0.00 -0.00 0.00 0.00 177.93 179.03 2k60 n MET -2 N -3.12 3.64 0.00 2.45 -0.00 -1.26 -4.83 117.12 114.00 2k60 n MET -2 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.71 2k60 n MET -2 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.89 2k60 n MET -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k60 n ALA -1 N -3.00 0.00 -0.05 3.17 0.00 -1.26 -4.63 120.51 114.73 2k60 n ALA -1 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2k60 n ALA -1 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2k60 n ALA -1 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k60 n SER 0 N 1.53 0.18 -4.88 0.00 3.41 -1.26 -4.95 113.62 107.65 2k60 n SER 0 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 2k60 n SER 0 Cb 0.00 1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 65.39 2k60 n SER 0 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k60 s SER 58 N -4.89 6.54 0.00 4.04 0.15 -1.26 -4.63 113.70 113.65 2k60 s SER 58 Ca -0.09 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2k60 s SER 58 Cb 0.10 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2k60 s SER 58 CO 0.84 0.17 0.00 -0.62 1.20 0.00 0.00 173.24 174.83 2k60 n GLU 59 N 0.73 3.76 0.08 5.44 1.02 -1.26 -5.08 120.64 125.33 2k60 n GLU 59 Ca -0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.96 2k60 n GLU 59 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.87 2k60 n GLU 59 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k60 h ASP 60 N 0.00 -0.24 -3.93 1.62 3.58 -2.03 -3.45 116.42 111.97 2k60 h ASP 60 Ca 0.00 -0.27 -0.50 0.00 0.42 0.00 0.00 57.03 56.68 2k60 h ASP 60 Cb 0.00 0.06 0.04 0.00 1.72 0.00 0.00 39.33 41.15 2k60 h ASP 60 CO 0.00 0.28 0.25 -1.61 -2.88 0.00 0.00 179.24 175.28 2k60 s GLU 61 N -3.43 3.63 -1.20 0.28 2.02 -1.26 -4.98 118.70 113.77 2k60 s GLU 61 Ca -0.12 0.51 -0.13 0.00 0.02 0.00 0.00 54.97 55.25 2k60 s GLU 61 Cb 0.01 -2.25 0.18 0.00 0.10 0.00 0.00 34.13 32.17 2k60 s GLU 61 CO 0.43 -0.32 1.40 0.15 0.02 0.00 0.00 175.26 176.94 2k60 s LYS 62 N -4.71 4.11 0.42 1.61 -0.14 -1.26 -4.98 119.74 114.79 2k60 s LYS 62 Ca 0.52 -2.67 -0.20 0.00 -1.36 0.00 0.00 55.97 52.26 2k60 s LYS 62 Cb -0.11 -5.01 -0.11 0.00 -1.68 0.00 0.00 37.83 30.93 2k60 s LYS 62 CO 0.45 -1.71 0.92 -1.17 -0.76 0.00 0.00 175.35 173.09 2k60 s LEU 63 N 1.23 3.95 0.31 3.17 2.96 -1.26 -4.97 118.68 124.08 2k60 s LEU 63 Ca 0.41 1.64 0.04 0.00 -0.22 0.00 0.00 54.13 56.01 2k60 s LEU 63 Cb -0.04 -4.49 0.50 0.00 0.50 0.00 0.00 46.19 42.67 2k60 s LEU 63 CO -0.01 -0.34 1.77 0.77 -1.32 0.00 0.00 176.35 177.22 2k60 h SER 64 N 1.95 0.41 -0.39 3.68 4.64 -2.00 -3.05 113.55 118.79 2k60 h SER 64 Ca -0.49 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 2k60 h SER 64 Cb 1.18 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2k60 h SER 64 CO 0.62 0.64 0.22 0.15 -0.87 0.00 0.00 176.83 177.58 2k60 h PHE 65 N 0.38 0.53 -0.23 4.77 3.04 -2.00 -1.33 116.94 122.11 2k60 h PHE 65 Ca 0.06 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.90 2k60 h PHE 65 Cb 0.59 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.91 2k60 h PHE 65 CO 0.02 0.41 -0.30 1.05 -2.02 0.00 0.00 178.31 177.47 2k60 h GLU 66 N 0.50 0.46 0.05 1.11 4.11 -1.80 -1.27 114.58 117.74 2k60 h GLU 66 Ca 0.14 -0.19 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2k60 h GLU 66 Cb 0.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k60 h GLU 66 CO -0.02 0.71 -0.02 0.00 0.07 0.00 0.00 179.01 179.74 2k60 h ALA 67 N 1.29 -0.07 0.08 1.06 0.00 -1.35 0.12 119.26 120.39 2k60 h ALA 67 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k60 h ALA 67 Cb 0.72 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2k60 h ALA 67 CO 0.06 -0.44 -0.17 0.28 0.00 0.00 0.00 179.25 178.98 2k60 h VAL 68 N -0.25 0.62 0.00 0.00 2.07 -1.03 -0.96 116.25 116.70 2k60 h VAL 68 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2k60 h VAL 68 Cb 0.22 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2k60 h VAL 68 CO 0.01 0.00 -0.18 0.08 0.02 0.00 0.00 177.57 177.51 2k60 h ARG 69 N -0.32 0.00 0.13 1.57 0.11 -1.22 -1.62 114.38 113.04 2k60 h ARG 69 Ca 0.03 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.10 2k60 h ARG 69 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 2k60 h ARG 69 CO -0.10 0.18 -0.06 -0.97 0.10 0.00 0.00 179.97 179.11 2k60 h ASN 70 N 0.00 -0.15 -0.20 0.08 -1.24 0.53 0.54 115.58 115.14 2k60 h ASN 70 Ca -0.00 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 56.88 2k60 h ASN 70 Cb 0.37 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 2k60 h ASN 70 CO 0.02 -0.01 -0.01 0.40 -1.29 0.00 0.00 177.43 176.54 2k60 h ILE 71 N -0.28 1.19 -0.23 2.57 5.03 -0.75 -0.93 117.51 124.11 2k60 h ILE 71 Ca -0.02 -0.74 -0.14 0.00 -0.12 0.00 0.00 64.86 63.84 2k60 h ILE 71 Cb 0.23 0.96 -0.01 0.00 -3.03 0.00 0.00 36.82 34.97 2k60 h ILE 71 CO 0.03 0.25 -0.42 0.45 -0.68 0.00 0.00 178.15 177.78 2k60 h HIS 72 N 0.46 0.67 0.00 1.37 3.86 -0.95 -3.07 115.15 117.50 2k60 h HIS 72 Ca 0.10 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 2k60 h HIS 72 Cb 0.31 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 2k60 h HIS 72 CO 0.01 0.89 -0.19 1.57 0.86 0.00 0.00 177.93 181.07 2k60 h LYS 73 N 0.46 0.00 -0.92 2.45 5.09 0.12 -3.10 116.57 120.67 2k60 h LYS 73 Ca 0.04 0.00 0.27 0.00 0.09 0.00 0.00 60.65 61.04 2k60 h LYS 73 Cb 0.93 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.22 2k60 h LYS 73 CO 0.08 0.19 0.72 -0.07 -2.09 0.00 0.00 179.45 178.29 2k60 h LEU 74 N 0.00 0.00 0.00 7.07 3.38 -1.11 -1.69 115.31 122.95 2k60 h LEU 74 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k60 h LEU 74 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2k60 h LEU 74 CO 0.02 0.00 -0.08 0.24 0.09 0.00 0.00 178.44 178.72 2k60 h MET 75 N 0.00 0.00 -6.68 1.13 2.86 -1.74 -3.46 114.93 107.05 2k60 h MET 75 Ca 0.44 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.53 2k60 h MET 75 Cb 1.88 0.00 0.08 0.00 0.06 0.00 0.00 31.60 33.62 2k60 h MET 75 CO -0.00 0.85 0.82 -3.47 1.06 0.00 0.00 176.91 176.17 2k60 n ASP 76 N -4.62 3.49 0.09 1.22 -0.08 -0.64 -3.42 116.55 112.59 2k60 n ASP 76 Ca -0.10 1.12 -0.15 0.00 -1.51 0.00 0.00 54.79 54.15 2k60 n ASP 76 Cb 0.42 -1.52 -0.09 0.00 2.34 0.00 0.00 41.12 42.27 2k60 n ASP 76 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2k60 h ASP 77 N 5.15 0.52 0.10 1.67 3.58 -1.80 -3.32 116.42 122.32 2k60 h ASP 77 Ca -0.45 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.51 2k60 h ASP 77 Cb 1.24 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2k60 h ASP 77 CO 0.83 1.32 -0.85 -0.90 -2.88 0.00 0.00 179.24 176.76 2k60 n ASP 78 N -3.66 0.99 -3.06 2.28 5.75 -1.26 -1.89 116.55 115.71 2k60 n ASP 78 Ca -0.08 -0.90 -0.22 0.00 -0.01 0.00 0.00 54.79 53.58 2k60 n ASP 78 Cb 0.93 0.79 0.02 0.00 -1.03 0.00 0.00 41.12 41.84 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 -1.36 -0.98 1.68 2.12 0.00 -1.25 -4.78 120.51 115.95 2k60 n ALA 79 Ca 0.05 0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.80 2k60 n ALA 79 Cb 0.34 -3.51 0.47 0.00 0.00 0.00 0.00 19.45 16.76 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 -2.43 0.00 0.00 0.00 6.94 -1.26 -4.80 115.26 113.71 2k60 n ASN 80 Ca -0.10 -1.18 0.00 0.00 -0.02 0.00 0.00 54.58 53.28 2k60 n ASN 80 Cb 0.61 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 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 0.54 1.00 2.85 4.83 0.00 -1.26 -5.00 105.19 108.15 2k60 n GLY 81 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.90 3.08 -0.39 1.61 -4.77 -1.26 -0.94 116.67 112.10 2k60 s ASP 82 Ca 0.00 -0.83 -0.25 0.00 -3.30 0.00 0.00 52.55 48.17 2k60 s ASP 82 Cb 0.00 -0.86 0.02 0.00 -1.09 0.00 0.00 42.92 40.98 2k60 s ASP 82 CO 0.00 -0.24 0.90 -0.69 0.70 0.00 0.00 175.17 175.85 2k60 s VAL 83 N 1.65 4.58 0.50 2.11 1.01 0.17 -4.86 120.40 125.56 2k60 s VAL 83 Ca -0.01 1.04 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 2k60 s VAL 83 Cb -0.17 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 31.88 2k60 s VAL 83 CO -0.07 -0.59 0.73 -0.62 0.00 0.00 0.00 175.10 174.55 2k60 s ASP 84 N 1.96 5.66 0.37 3.32 2.15 -1.26 -0.52 116.67 128.35 2k60 s ASP 84 Ca 0.37 0.28 0.04 0.00 0.43 0.00 0.00 52.55 53.68 2k60 s ASP 84 Cb -0.12 -1.41 0.70 0.00 -0.30 0.00 0.00 42.92 41.80 2k60 s ASP 84 CO 0.20 -0.86 1.99 -0.37 -0.17 0.00 0.00 175.17 175.96 2k60 h VAL 85 N 0.23 1.15 0.01 1.11 -1.51 -1.90 0.42 116.25 115.76 2k60 h VAL 85 Ca -0.45 -0.40 -0.23 0.00 -1.23 0.00 0.00 66.70 64.39 2k60 h VAL 85 Cb 1.26 0.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2k60 h VAL 85 CO 0.57 0.17 -0.96 -0.33 -1.23 0.00 0.00 177.57 175.78 2k60 h GLU 86 N 0.65 0.43 0.11 5.19 5.08 -1.97 -1.60 114.58 122.47 2k60 h GLU 86 Ca 0.17 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2k60 h GLU 86 Cb 0.04 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k60 h GLU 86 CO -0.03 1.13 -0.05 0.93 -1.00 0.00 0.00 179.01 179.99 2k60 h GLU 87 N 0.24 -0.15 -0.02 2.33 5.08 -1.78 -3.14 114.58 117.14 2k60 h GLU 87 Ca -0.09 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k60 h GLU 87 Cb 1.61 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.89 2k60 h GLU 87 CO 0.17 0.12 0.00 -1.13 -1.00 0.00 0.00 179.01 177.16 2k60 n SER 88 N -5.04 0.51 -0.40 1.42 3.41 0.09 -3.69 113.62 109.92 2k60 n SER 88 Ca -0.08 -1.29 -0.09 0.00 -0.26 0.00 0.00 58.87 57.14 2k60 n SER 88 Cb 0.18 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.04 2k60 n SER 88 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k60 n ASP 89 N -0.55 -0.97 0.08 4.04 2.03 -0.60 -0.85 116.55 119.73 2k60 n ASP 89 Ca 0.19 1.73 -0.23 0.00 0.52 0.00 0.00 54.79 57.01 2k60 n ASP 89 Cb 0.18 -0.25 -0.15 0.00 -0.72 0.00 0.00 41.12 40.18 2k60 n ASP 89 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2k60 h GLU 90 N 0.00 0.40 0.05 -0.67 4.11 -1.88 -3.40 114.58 113.19 2k60 h GLU 90 Ca 0.18 -0.68 0.03 0.00 0.07 0.00 0.00 59.36 58.96 2k60 h GLU 90 Cb 0.43 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2k60 h GLU 90 CO -0.92 1.32 -0.28 0.74 0.07 0.00 0.00 179.01 179.94 2k60 h PHE 91 N -0.03 -0.75 -0.00 2.06 0.04 -1.38 -1.52 116.94 115.36 2k60 h PHE 91 Ca -0.28 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.52 2k60 h PHE 91 Cb 1.99 0.32 -0.01 0.00 2.20 0.00 0.00 35.95 40.45 2k60 h PHE 91 CO 0.13 -0.37 -0.05 1.25 -0.60 0.00 0.00 178.31 178.66 2k60 h LEU 92 N -0.45 -0.15 0.07 1.54 5.85 -1.24 0.85 115.31 121.78 2k60 h LEU 92 Ca 0.05 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2k60 h LEU 92 Cb 0.51 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2k60 h LEU 92 CO -0.20 -0.08 -0.29 0.03 -0.34 0.00 0.00 178.44 177.56 2k60 h ARG 93 N -0.09 -0.40 0.00 1.25 3.08 -1.68 -1.26 114.38 115.29 2k60 h ARG 93 Ca 0.02 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2k60 h ARG 93 Cb 0.12 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2k60 h ARG 93 CO -0.06 -0.27 -0.21 0.93 -1.07 0.00 0.00 179.97 179.29 2k60 h GLU 94 N -0.41 0.00 0.00 0.04 5.08 -1.28 0.64 114.58 118.65 2k60 h GLU 94 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k60 h GLU 94 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k60 h GLU 94 CO -0.15 0.76 -0.02 0.22 -1.00 0.00 0.00 179.01 178.82 2k60 h ASP 95 N -1.00 0.00 0.00 1.42 3.58 -0.87 -1.39 116.42 118.16 2k60 h ASP 95 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2k60 h ASP 95 Cb 0.83 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2k60 h ASP 95 CO -0.03 0.02 -0.26 0.00 -2.88 0.00 0.00 179.24 176.09 2k60 n LEU 96 N -3.63 0.00 -0.29 2.28 -0.00 -0.81 -4.51 117.00 110.04 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 0.14 0.00 -0.00 0.00 0.00 43.42 43.66 2k60 n LEU 96 CO 0.26 0.00 0.39 -3.20 -0.00 0.00 0.00 177.39 174.84 2k60 n ASN 97 N -0.69 1.38 0.00 1.45 4.05 -0.00 -4.81 115.26 116.63 2k60 n ASN 97 Ca 0.00 -1.09 0.00 0.00 0.45 0.00 0.00 54.58 53.94 2k60 n ASN 97 Cb 0.08 0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.50 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 -0.60 0.00 0.00 1.20 4.11 0.20 -3.95 117.16 118.12 2k60 n TYR 98 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.99 2k60 n TYR 98 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 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 0.00 0.00 -4.03 -3.48 -0.00 -1.25 -4.48 115.22 101.97 2k60 n HIS 99 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2k60 n HIS 99 Cb 0.00 -0.01 -0.14 0.00 -0.00 0.00 0.00 29.99 29.84 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 -1.70 0.37 0.00 0.26 -4.77 -1.25 -4.67 116.67 104.91 2k60 s ASP 100 Ca 0.00 -0.05 0.19 0.00 -3.30 0.00 0.00 52.55 49.39 2k60 s ASP 100 Cb 0.00 -0.06 0.85 0.00 -1.09 0.00 0.00 42.92 42.62 2k60 s ASP 100 CO 0.00 0.03 1.59 -0.81 0.70 0.00 0.00 175.17 176.67 2k60 n PRO 101 N 3.11 1.44 -0.29 2.11 -0.04 -1.26 -4.06 135.00 136.00 2k60 n PRO 101 Ca -0.14 -0.66 0.12 0.00 -0.04 0.00 0.00 63.50 62.78 2k60 n PRO 101 Cb 0.58 -1.34 0.35 0.00 -0.04 0.00 0.00 33.50 33.06 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 1.31 0.83 0.50 0.52 2.02 -1.97 0.39 112.91 116.51 2k60 h THR 102 Ca 0.00 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2k60 h THR 102 Cb 0.29 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2k60 h THR 102 CO 0.00 0.13 -0.30 0.58 0.37 0.00 0.00 175.52 176.31 2k60 h VAL 103 N 0.74 0.39 -0.28 3.16 2.07 -1.98 0.11 116.25 120.46 2k60 h VAL 103 Ca 0.47 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.84 2k60 h VAL 103 Cb 0.72 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2k60 h VAL 103 CO -0.23 0.00 -0.44 0.11 0.02 0.00 0.00 177.57 177.03 2k60 h LYS 104 N -0.75 0.79 0.24 1.57 1.79 -1.55 0.10 116.57 118.75 2k60 h LYS 104 Ca -0.06 -0.48 -0.01 0.00 -2.18 0.00 0.00 60.65 57.92 2k60 h LYS 104 Cb 0.61 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2k60 h LYS 104 CO 0.07 1.11 -0.11 0.45 -1.08 0.00 0.00 179.45 179.88 2k60 h HIS 105 N 0.55 -0.30 0.00 -1.35 3.86 -0.22 0.42 115.15 118.10 2k60 h HIS 105 Ca 0.02 -0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 59.04 2k60 h HIS 105 Cb 1.04 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.58 2k60 h HIS 105 CO 0.08 -0.16 -0.90 0.77 0.86 0.00 0.00 177.93 178.58 2k60 h SER 106 N -0.35 0.00 -0.15 2.45 0.02 -0.83 -0.17 113.55 114.52 2k60 h SER 106 Ca -0.03 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 2k60 h SER 106 Cb 0.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k60 h SER 106 CO 0.05 0.90 -0.16 0.74 -1.14 0.00 0.00 176.83 177.21 2k60 h THR 107 N 0.00 1.35 0.26 -2.27 2.02 -0.97 -2.21 112.91 111.09 2k60 h THR 107 Ca -0.01 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 2k60 h THR 107 Cb 1.62 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 2k60 h THR 107 CO 0.12 0.40 -0.12 0.15 0.37 0.00 0.00 175.52 176.43 2k60 h PHE 108 N 0.00 -0.32 0.11 3.16 3.57 -0.91 -3.39 116.94 119.16 2k60 h PHE 108 Ca 0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2k60 h PHE 108 Cb 0.70 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2k60 h PHE 108 CO 0.09 -0.20 -0.05 1.25 -2.23 0.00 0.00 178.31 177.16 2k60 h HIS 109 N -1.00 -0.13 0.00 0.41 2.76 -1.20 -3.48 115.15 112.51 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 0.27 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.27 2k60 h HIS 109 CO 0.01 0.35 0.00 0.41 -1.30 0.00 0.00 177.93 177.40 2k60 n GLY 110 N 0.95 2.76 2.01 5.26 0.00 -0.83 -4.85 105.19 110.50 2k60 n GLY 110 Ca -0.07 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 2k60 n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k60 n GLU 111 N 0.00 2.08 -3.14 1.61 2.13 -1.26 -4.49 120.64 117.58 2k60 n GLU 111 Ca 0.00 -2.29 -0.14 0.00 0.66 0.00 0.00 57.16 55.38 2k60 n GLU 111 Cb 0.00 -1.90 0.06 0.00 0.27 0.00 0.00 31.44 29.87 2k60 n GLU 111 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2k60 n ASP 112 N -0.45 -3.24 0.00 4.31 2.03 -1.26 -4.98 116.55 112.98 2k60 n ASP 112 Ca 0.45 -0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2k60 n ASP 112 Cb 0.94 -3.83 0.00 0.00 -0.72 0.00 0.00 41.12 37.51 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 -3.46 0.79 -2.41 -0.67 5.02 -1.26 -4.88 118.16 111.28 2k60 n LYS 113 Ca -0.13 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.76 2k60 n LYS 113 Cb 0.59 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.56 2k60 n LYS 113 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k60 s LEU 114 N 0.00 4.52 -0.30 -0.35 1.02 -1.25 -4.70 118.68 117.62 2k60 s LEU 114 Ca 0.00 2.34 -0.04 0.00 0.02 0.00 0.00 54.13 56.44 2k60 s LEU 114 Cb 0.00 -3.65 0.03 0.00 0.02 0.00 0.00 46.19 42.59 2k60 s LEU 114 CO 0.00 -0.22 0.03 -0.63 0.02 0.00 0.00 176.35 175.55 2k60 s ILE 115 N -1.17 3.43 -0.01 -0.59 -1.09 0.33 -4.52 121.20 117.57 2k60 s ILE 115 Ca 0.46 -1.05 0.07 0.00 -2.23 0.00 0.00 60.65 57.90 2k60 s ILE 115 Cb -0.33 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.67 2k60 s ILE 115 CO 0.43 -0.00 -0.23 -0.94 -1.23 0.00 0.00 174.94 172.96 2k60 s SER 116 N 1.37 3.33 0.28 3.58 1.04 -1.26 0.42 113.70 122.46 2k60 s SER 116 Ca -0.01 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 55.97 2k60 s SER 116 Cb -0.18 -0.46 0.39 0.00 0.10 0.00 0.00 66.02 65.87 2k60 s SER 116 CO 0.00 0.31 1.88 -0.37 0.98 0.00 0.00 173.24 176.04 2k60 h VAL 117 N 4.37 1.22 -0.14 5.02 -1.51 -1.42 0.13 116.25 123.92 2k60 h VAL 117 Ca -0.45 -0.65 -0.18 0.00 -1.23 0.00 0.00 66.70 64.20 2k60 h VAL 117 Cb 1.13 0.36 0.01 0.00 -2.13 0.00 0.00 31.29 30.66 2k60 h VAL 117 CO 0.47 0.27 -0.61 1.05 -1.23 0.00 0.00 177.57 177.52 2k60 h GLU 118 N 0.97 0.67 -0.16 5.19 4.11 -1.96 0.89 114.58 124.30 2k60 h GLU 118 Ca 0.24 -0.53 -0.15 0.00 0.07 0.00 0.00 59.36 58.99 2k60 h GLU 118 Cb 0.12 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k60 h GLU 118 CO -0.03 1.14 -0.54 0.22 0.07 0.00 0.00 179.01 179.87 2k60 h ASP 119 N 0.34 0.51 -0.56 3.06 3.58 -1.89 -1.58 116.42 119.88 2k60 h ASP 119 Ca -0.04 -0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.10 2k60 h ASP 119 Cb 1.24 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 2k60 h ASP 119 CO 0.13 0.95 0.19 -0.07 -2.88 0.00 0.00 179.24 177.56 2k60 h LEU 120 N 0.36 0.81 -0.29 2.28 3.38 -0.68 0.17 115.31 121.34 2k60 h LEU 120 Ca 0.01 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.84 2k60 h LEU 120 Cb 1.07 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 2k60 h LEU 120 CO 0.10 0.79 -0.10 -0.25 0.09 0.00 0.00 178.44 179.07 2k60 h TRP 121 N 0.78 -0.22 -0.70 1.13 2.91 -0.29 0.62 115.95 120.19 2k60 h TRP 121 Ca 0.18 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.21 2k60 h TRP 121 Cb 0.26 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.02 2k60 h TRP 121 CO 0.01 -0.16 0.33 0.87 -1.03 0.00 0.00 178.44 178.47 2k60 h LYS 122 N -0.04 1.00 -0.15 2.65 6.56 -1.01 -1.61 116.57 123.97 2k60 h LYS 122 Ca 0.14 -0.15 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2k60 h LYS 122 Cb 0.26 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 2k60 h LYS 122 CO -0.32 0.79 0.03 0.00 -2.06 0.00 0.00 179.45 177.90 2k60 h ALA 123 N 1.16 0.20 -0.46 3.86 0.00 0.04 -2.81 119.26 121.25 2k60 h ALA 123 Ca 0.24 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2k60 h ALA 123 Cb 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2k60 h ALA 123 CO -0.03 -0.15 0.12 2.35 0.00 0.00 0.00 179.25 181.54 2k60 h TRP 124 N 0.05 0.20 0.00 0.00 7.01 0.40 0.35 115.95 123.95 2k60 h TRP 124 Ca 0.05 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 2k60 h TRP 124 Cb 0.28 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.32 2k60 h TRP 124 CO 0.01 0.04 -0.03 0.87 -2.79 0.00 0.00 178.44 176.54 2k60 h LYS 125 N 0.26 0.00 0.00 2.65 1.57 -1.25 -1.37 116.57 118.43 2k60 h LYS 125 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2k60 h LYS 125 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2k60 h LYS 125 CO -0.27 0.03 -1.11 0.45 -0.57 0.00 0.00 179.45 177.98 2k60 n SER 126 N -3.26 0.87 -4.96 0.86 2.88 0.07 -4.83 113.62 105.25 2k60 n SER 126 Ca -0.02 -0.86 -0.22 0.00 -1.33 0.00 0.00 58.87 56.44 2k60 n SER 126 Cb 0.18 1.10 0.03 0.00 -0.75 0.00 0.00 64.21 64.77 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 -3.19 5.46 0.43 -3.46 0.01 0.10 -4.97 113.70 108.09 2k60 s SER 127 Ca 0.06 0.17 0.15 0.00 1.31 0.00 0.00 55.95 57.64 2k60 s SER 127 Cb 0.16 -1.18 1.05 0.00 0.21 0.00 0.00 66.02 66.26 2k60 s SER 127 CO 0.87 -1.01 1.96 -0.33 0.41 0.00 0.00 173.24 175.14 2k60 h GLU 128 N 0.13 0.39 0.01 12.44 3.07 -1.90 -3.11 114.58 125.61 2k60 h GLU 128 Ca -0.44 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.41 2k60 h GLU 128 Cb 1.28 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 29.06 2k60 h GLU 128 CO 0.55 0.26 -0.43 0.28 -1.40 0.00 0.00 179.01 178.27 2k60 h VAL 129 N 0.40 0.00 0.00 3.13 2.07 -1.87 -1.10 116.25 118.87 2k60 h VAL 129 Ca 0.31 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.83 2k60 h VAL 129 Cb 0.66 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2k60 h VAL 129 CO -0.09 0.00 -0.00 0.22 0.02 0.00 0.00 177.57 177.72 2k60 h TYR 130 N -0.55 0.00 0.00 1.57 3.20 -1.55 0.19 116.97 119.83 2k60 h TYR 130 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2k60 h TYR 130 Cb 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2k60 h TYR 130 CO -0.48 0.00 -0.89 -0.97 -1.64 0.00 0.00 178.16 174.18 2k60 h ASN 131 N 0.00 0.00 -2.89 -2.11 -1.24 -1.43 -3.43 115.58 104.48 2k60 h ASN 131 Ca -0.00 -0.09 -0.54 0.00 0.71 0.00 0.00 56.30 56.37 2k60 h ASN 131 Cb 0.14 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.19 2k60 h ASN 131 CO 0.00 0.05 0.85 0.26 -1.29 0.00 0.00 177.43 177.30 2k60 s TRP 132 N -3.29 2.80 0.20 0.67 0.51 0.05 -4.94 118.94 114.93 2k60 s TRP 132 Ca 0.02 0.78 -0.02 0.00 -2.12 0.00 0.00 56.10 54.76 2k60 s TRP 132 Cb 0.11 -3.68 0.04 0.00 -0.81 0.00 0.00 33.47 29.13 2k60 s TRP 132 CO 0.77 -2.53 0.27 -2.37 -0.51 0.00 0.00 176.95 172.58 2k60 n THR 133 N 4.72 0.00 -0.27 2.01 5.66 -1.26 -0.56 114.28 124.58 2k60 n THR 133 Ca 0.13 -0.28 -0.06 0.00 -3.05 0.00 0.00 64.05 60.80 2k60 n THR 133 Cb 0.44 -1.64 0.06 0.00 -1.55 0.00 0.00 70.33 67.63 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 -0.87 1.26 -0.60 1.08 2.07 -1.95 -1.35 116.25 115.89 2k60 h VAL 134 Ca -0.09 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2k60 h VAL 134 Cb 0.27 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2k60 h VAL 134 CO 0.07 0.33 0.32 0.44 0.02 0.00 0.00 177.57 178.75 2k60 h ASP 135 N 1.09 0.75 -0.26 0.57 5.19 -1.94 0.24 116.42 122.07 2k60 h ASP 135 Ca 0.25 -0.10 -0.08 0.00 -0.62 0.00 0.00 57.03 56.47 2k60 h ASP 135 Cb 0.23 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2k60 h ASP 135 CO -0.02 0.64 -0.15 -0.33 -3.12 0.00 0.00 179.24 176.26 2k60 h GLU 136 N 0.81 0.57 -0.21 3.56 4.39 -1.84 -1.45 114.58 120.41 2k60 h GLU 136 Ca 0.21 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 2k60 h GLU 136 Cb 0.07 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2k60 h GLU 136 CO -0.03 0.83 -0.35 -0.24 -1.16 0.00 0.00 179.01 178.06 2k60 h VAL 137 N 0.29 1.29 0.02 3.13 3.04 -1.10 -0.72 116.25 122.20 2k60 h VAL 137 Ca 0.05 -1.44 -0.00 0.00 -1.01 0.00 0.00 66.70 64.30 2k60 h VAL 137 Cb 0.68 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 2k60 h VAL 137 CO 0.04 0.45 -0.01 0.58 -1.01 0.00 0.00 177.57 177.62 2k60 h VAL 138 N 0.38 1.04 -0.12 1.51 2.07 -0.72 0.45 116.25 120.85 2k60 h VAL 138 Ca 0.04 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 2k60 h VAL 138 Cb 0.79 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2k60 h VAL 138 CO 0.06 0.05 -0.32 0.06 0.02 0.00 0.00 177.57 177.44 2k60 h GLN 139 N -0.11 0.23 -0.16 1.57 3.07 -1.13 -1.51 115.11 117.08 2k60 h GLN 139 Ca -0.00 -0.09 -0.06 0.00 0.09 0.00 0.00 58.65 58.59 2k60 h GLN 139 Cb 0.10 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.64 2k60 h GLN 139 CO 0.00 0.53 -0.15 2.35 0.09 0.00 0.00 178.83 181.65 2k60 h TRP 140 N 0.20 0.45 -0.77 0.06 2.91 -0.77 -0.20 115.95 117.83 2k60 h TRP 140 Ca 0.03 -0.13 -0.05 0.00 1.13 0.00 0.00 58.89 59.87 2k60 h TRP 140 Cb 0.66 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.19 2k60 h TRP 140 CO 0.01 0.76 0.30 1.37 -1.03 0.00 0.00 178.44 179.85 2k60 h LEU 141 N 0.01 1.06 -0.04 0.65 8.10 0.10 0.32 115.31 125.52 2k60 h LEU 141 Ca 0.03 -0.17 -0.04 0.00 0.11 0.00 0.00 57.88 57.81 2k60 h LEU 141 Cb 0.68 -0.28 0.00 0.00 -0.44 0.00 0.00 40.66 40.63 2k60 h LEU 141 CO 0.04 0.95 -0.12 0.16 -4.11 0.00 0.00 178.44 175.36 2k60 h ILE 142 N 1.12 1.46 0.00 0.15 3.07 -1.21 0.33 117.51 122.43 2k60 h ILE 142 Ca 0.26 -1.53 -0.04 0.00 1.55 0.00 0.00 64.86 65.10 2k60 h ILE 142 Cb 0.22 2.38 -0.01 0.00 -0.27 0.00 0.00 36.82 39.14 2k60 h ILE 142 CO -0.02 0.42 -0.18 0.00 -1.05 0.00 0.00 178.15 177.32 2k60 h THR 143 N -0.41 0.64 0.00 0.16 1.03 -0.81 -0.53 112.91 112.99 2k60 h THR 143 Ca -0.00 -0.78 -0.23 0.00 -0.01 0.00 0.00 66.41 65.38 2k60 h THR 143 Cb 0.74 1.50 -0.04 0.00 -1.07 0.00 0.00 68.15 69.28 2k60 h THR 143 CO 0.03 0.18 -1.79 -1.22 -0.01 0.00 0.00 175.52 172.70 2k60 n TYR 144 N -3.62 0.00 0.13 0.00 4.01 0.08 -4.65 117.16 113.11 2k60 n TYR 144 Ca -0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.76 2k60 n TYR 144 Cb 0.31 -0.51 0.02 0.00 -0.31 0.00 0.00 39.34 38.85 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 -0.41 0.70 -0.40 -0.72 2.07 -0.46 -3.47 116.25 113.57 2k60 h VAL 145 Ca -0.35 -2.03 -0.09 0.00 0.82 0.00 0.00 66.70 65.05 2k60 h VAL 145 Cb 1.35 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 2k60 h VAL 145 CO -0.18 0.40 -0.09 -0.62 0.02 0.00 0.00 177.57 177.09 2k60 n GLU 146 N -3.15 -0.31 -3.34 1.57 -0.58 -0.21 -4.96 120.64 109.66 2k60 n GLU 146 Ca 0.01 0.43 -0.45 0.00 -0.42 0.00 0.00 57.16 56.73 2k60 n GLU 146 Cb 0.72 -4.14 -0.07 0.00 -0.57 0.00 0.00 31.44 27.39 2k60 n GLU 146 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k60 s LEU 147 N -1.08 5.61 -0.04 -4.62 1.43 -1.24 -4.93 118.68 113.81 2k60 s LEU 147 Ca 0.00 -1.34 0.04 0.00 -1.03 0.00 0.00 54.13 51.80 2k60 s LEU 147 Cb 0.00 -2.23 0.19 0.00 0.03 0.00 0.00 46.19 44.19 2k60 s LEU 147 CO 0.00 -0.73 0.90 -0.81 0.23 0.00 0.00 176.35 175.94 2k60 n PRO 148 N 5.38 1.82 -0.95 1.29 -0.05 -1.26 -3.62 135.00 137.60 2k60 n PRO 148 Ca -0.12 -0.75 0.01 0.00 -0.05 0.00 0.00 63.50 62.60 2k60 n PRO 148 Cb 0.43 -1.54 0.36 0.00 -0.05 0.00 0.00 33.50 32.70 2k60 n PRO 148 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2k60 n GLN 149 N 0.12 4.38 -0.34 0.54 0.00 -1.26 -4.63 117.38 116.19 2k60 n GLN 149 Ca 0.07 -3.08 0.04 0.00 0.00 0.00 0.00 57.00 54.02 2k60 n GLN 149 Cb 0.39 -2.24 0.19 0.00 0.00 0.00 0.00 30.24 28.58 2k60 n GLN 149 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.06 177.16 2k60 h TYR 150 N 3.40 1.06 -0.09 2.61 -0.00 -1.96 -1.02 116.97 120.97 2k60 h TYR 150 Ca 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.87 2k60 h TYR 150 Cb 2.13 -0.34 -0.00 0.00 -0.00 0.00 0.00 36.73 38.52 2k60 h TYR 150 CO 1.18 0.48 0.05 1.49 -0.00 0.00 0.00 178.16 181.35 2k60 h GLU 151 N 0.98 0.13 -0.14 0.10 4.81 -1.93 0.25 114.58 118.78 2k60 h GLU 151 Ca 0.43 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2k60 h GLU 151 Cb 0.32 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2k60 h GLU 151 CO -0.22 0.17 0.08 0.93 -0.73 0.00 0.00 179.01 179.24 2k60 h GLU 152 N 0.05 0.20 -0.23 1.92 5.08 -1.76 -0.66 114.58 119.18 2k60 h GLU 152 Ca 0.03 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 2k60 h GLU 152 Cb 0.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k60 h GLU 152 CO -0.00 0.20 -0.61 0.00 -1.00 0.00 0.00 179.01 177.60 2k60 h THR 153 N 0.14 1.29 -0.25 1.13 1.03 -1.04 -0.21 112.91 114.99 2k60 h THR 153 Ca 0.05 -1.82 -0.11 0.00 -0.01 0.00 0.00 66.41 64.52 2k60 h THR 153 Cb 0.06 1.76 -0.01 0.00 -1.07 0.00 0.00 68.15 68.89 2k60 h THR 153 CO -0.01 0.58 -0.30 2.19 -0.01 0.00 0.00 175.52 177.98 2k60 h PHE 154 N 0.57 0.58 0.00 0.00 -5.15 -0.37 0.83 116.94 113.39 2k60 h PHE 154 Ca -0.00 -0.14 -0.10 0.00 -0.20 0.00 0.00 57.97 57.53 2k60 h PHE 154 Cb 1.20 -0.14 -0.01 0.00 0.22 0.00 0.00 35.95 37.22 2k60 h PHE 154 CO 0.07 0.75 -0.47 0.07 -2.00 0.00 0.00 178.31 176.73 2k60 h ARG 155 N 0.44 0.00 0.00 6.09 0.11 -0.92 0.14 114.38 120.24 2k60 h ARG 155 Ca 0.06 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 0.47 -0.00 0.87 0.10 0.00 0.00 179.97 181.46 2k60 h LYS 156 N 0.00 -0.00 0.00 0.08 1.79 -0.41 -3.42 116.57 114.61 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 1.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2k60 h LYS 156 CO 0.06 0.83 -0.35 1.47 -1.08 0.00 0.00 179.45 180.38 2k60 n LEU 157 N -4.69 0.00 -2.77 2.94 -0.00 0.23 -5.09 117.00 107.63 2k60 n LEU 157 Ca -0.09 -0.31 -0.01 0.00 -0.00 0.00 0.00 56.01 55.60 2k60 n LEU 157 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.82 2k60 n LEU 157 CO 0.33 0.00 -0.51 0.00 -0.00 0.00 0.00 177.39 177.21 2k60 n GLN 158 N -1.15 -3.27 -3.19 1.47 6.02 0.48 -5.02 117.38 112.73 2k60 n GLN 158 Ca 0.00 2.64 -0.23 0.00 -0.01 0.00 0.00 57.00 59.41 2k60 n GLN 158 Cb 0.00 -4.78 0.00 0.00 1.02 0.00 0.00 30.24 26.48 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 -1.41 3.82 0.00 1.08 2.34 -1.26 -4.89 118.68 118.36 2k60 s LEU 159 Ca -0.04 0.27 0.00 0.00 0.06 0.00 0.00 54.13 54.42 2k60 s LEU 159 Cb 0.00 -3.15 0.00 0.00 -0.56 0.00 0.00 46.19 42.48 2k60 s LEU 159 CO 0.69 -0.53 0.00 -1.54 -1.06 0.00 0.00 176.35 173.91 2k60 n SER 160 N -1.92 0.00 0.32 1.48 3.41 -1.26 -3.48 113.62 112.17 2k60 n SER 160 Ca -0.01 -0.15 0.19 0.00 -0.26 0.00 0.00 58.87 58.64 2k60 n SER 160 Cb 0.57 0.00 1.09 0.00 -0.26 0.00 0.00 64.21 65.61 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 -0.90 0.19 103.07 108.53 2k60 h GLY 161 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 2k60 h GLY 161 CO 0.00 0.00 -1.58 0.84 0.00 0.00 0.00 176.54 175.80 2k60 h HIS 162 N 0.00 0.07 0.00 5.60 -0.00 -1.84 -3.33 115.15 115.65 2k60 h HIS 162 Ca -0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 60.37 60.19 2k60 h HIS 162 Cb 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 2k60 h HIS 162 CO 0.00 1.08 -0.60 0.00 -0.00 0.00 0.00 177.93 178.42 2k60 h ALA 163 N 0.90 0.91 -0.29 5.26 0.00 -1.39 -2.31 119.26 122.33 2k60 h ALA 163 Ca -0.24 -0.54 0.06 0.00 0.00 0.00 0.00 54.91 54.19 2k60 h ALA 163 Cb 1.97 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.58 2k60 h ALA 163 CO 0.10 0.75 -0.42 0.52 0.00 0.00 0.00 179.25 180.19 2k60 h MET 164 N 0.00 -0.38 -0.39 0.00 2.86 -0.82 0.57 114.93 116.78 2k60 h MET 164 Ca -0.01 0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 2k60 h MET 164 Cb 1.13 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 2k60 h MET 164 CO 0.08 -0.25 -0.31 -1.00 1.06 0.00 0.00 176.91 176.49 2k60 h PRO 165 N -0.39 0.90 0.00 -0.22 0.13 -1.74 -1.67 132.00 129.01 2k60 h PRO 165 Ca 0.11 -0.44 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2k60 h PRO 165 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2k60 h PRO 165 CO -0.50 1.10 -0.00 0.07 -0.23 0.00 0.00 178.00 178.43 2k60 h ARG 166 N 0.71 0.00 0.00 0.86 -0.00 -0.78 -1.50 114.38 113.67 2k60 h ARG 166 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.05 2k60 h ARG 166 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.86 2k60 h ARG 166 CO 0.08 0.00 -0.88 1.47 -0.00 0.00 0.00 179.97 180.64 2k60 n LEU 167 N -4.36 0.69 0.00 0.08 -0.00 0.19 -3.90 117.00 109.70 2k60 n LEU 167 Ca -0.03 0.18 0.09 0.00 -0.00 0.00 0.00 56.01 56.25 2k60 n LEU 167 Cb 0.09 -0.12 0.42 0.00 -0.00 0.00 0.00 43.42 43.81 2k60 n LEU 167 CO 0.32 -0.06 0.80 0.00 -0.00 0.00 0.00 177.39 178.46 2k60 n ALA 168 N -1.93 1.89 -3.77 1.47 0.00 -0.57 -4.49 120.51 113.11 2k60 n ALA 168 Ca 0.02 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 2k60 n ALA 168 Cb 0.47 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.97 2.80 0.17 0.00 0.11 -1.21 -4.41 120.40 114.88 2k60 s VAL 169 Ca 0.10 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 2k60 s VAL 169 Cb 0.13 -2.30 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 2k60 s VAL 169 CO 0.35 0.38 0.00 0.35 -3.33 0.00 0.00 175.10 172.84 2k60 n THR 170 N 4.70 -8.24 0.13 5.04 -2.24 -1.26 -4.47 114.28 107.93 2k60 n THR 170 Ca -0.18 2.25 0.16 0.00 -2.27 0.00 0.00 64.05 64.01 2k60 n THR 170 Cb 0.49 -3.61 0.72 0.00 -2.10 0.00 0.00 70.33 65.84 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 3.76 0.00 -0.97 3.42 -1.07 -1.84 -1.19 115.58 117.69 2k60 h ASN 171 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 56.30 56.46 2k60 h ASN 171 Cb 0.00 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.18 2k60 h ASN 171 CO 0.00 0.00 0.61 0.74 0.07 0.00 0.00 177.43 178.85 2k60 h THR 172 N 0.00 1.01 -0.35 6.14 2.02 -1.92 -0.16 112.91 119.66 2k60 h THR 172 Ca 0.14 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 2k60 h THR 172 Cb 0.60 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2k60 h THR 172 CO -0.00 0.19 0.12 0.74 0.37 0.00 0.00 175.52 176.94 2k60 h THR 173 N 1.05 1.20 0.09 3.16 2.02 -1.43 -3.23 112.91 115.76 2k60 h THR 173 Ca 0.44 -0.65 -0.25 0.00 0.77 0.00 0.00 66.41 66.72 2k60 h THR 173 Cb 0.30 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2k60 h THR 173 CO -0.21 0.22 -1.16 -0.03 0.37 0.00 0.00 175.52 174.71 2k60 h MET 174 N 0.41 0.20 -6.11 6.66 1.85 -1.54 -3.42 114.93 112.98 2k60 h MET 174 Ca 0.11 -0.34 -0.53 0.00 -0.61 0.00 0.00 59.70 58.34 2k60 h MET 174 Cb 0.23 0.12 -0.08 0.00 0.43 0.00 0.00 31.60 32.31 2k60 h MET 174 CO -0.01 1.15 1.25 -0.08 -0.40 0.00 0.00 176.91 178.82 2k60 s THR 175 N -2.71 3.74 -0.28 -0.77 -1.32 -0.11 -4.73 115.64 109.46 2k60 s THR 175 Ca -0.03 -0.28 0.12 0.00 -1.21 0.00 0.00 61.69 60.29 2k60 s THR 175 Cb 0.08 -4.77 0.70 0.00 -1.51 0.00 0.00 72.50 67.00 2k60 s THR 175 CO 0.87 -1.68 1.70 0.61 -2.21 0.00 0.00 174.62 173.91 2k60 n GLY 176 N 6.35 3.74 2.07 6.08 0.00 -1.26 -4.67 105.19 117.48 2k60 n GLY 176 Ca 0.24 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2k60 n GLY 176 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k60 n THR 177 N -0.18 0.00 0.00 2.61 -1.04 -1.26 -4.99 114.28 109.42 2k60 n THR 177 Ca 0.35 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.36 2k60 n THR 177 Cb 1.24 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 69.62 2k60 n THR 177 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2k60 n VAL 178 N -3.04 0.00 0.00 12.58 3.14 -1.26 -5.10 118.33 124.65 2k60 n VAL 178 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2k60 n VAL 178 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2k60 n VAL 178 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2k60 n LEU 179 N -0.51 0.00 -4.07 6.55 4.32 -1.26 -4.27 117.00 117.75 2k60 n LEU 179 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 2k60 n LEU 179 Cb 0.00 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 2k60 n LEU 179 CO 0.00 0.00 -0.47 -0.75 -1.22 0.00 0.00 177.39 174.95 2k60 s LYS 180 N 0.00 1.21 0.09 3.23 2.20 -1.26 -4.98 119.74 120.23 2k60 s LYS 180 Ca 0.00 -0.45 -0.09 0.00 -0.36 0.00 0.00 55.97 55.07 2k60 s LYS 180 Cb 0.00 -1.12 -0.20 0.00 -1.51 0.00 0.00 37.83 35.00 2k60 s LYS 180 CO 0.00 0.22 1.20 0.52 -0.36 0.00 0.00 175.35 176.93 2k60 h MET 181 N 6.10 0.51 -6.37 4.03 2.86 -2.03 -3.43 114.93 116.60 2k60 h MET 181 Ca -0.33 -0.62 -0.57 0.00 -2.06 0.00 0.00 59.70 56.12 2k60 h MET 181 Cb 1.17 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.98 2k60 h MET 181 CO 0.49 1.24 1.12 0.95 1.06 0.00 0.00 176.91 181.77 2k60 s THR 182 N -3.11 3.77 0.21 2.22 -4.23 -1.26 -4.90 115.64 108.35 2k60 s THR 182 Ca -0.07 0.82 -0.10 0.00 -1.18 0.00 0.00 61.69 61.16 2k60 s THR 182 Cb 0.07 -3.91 0.15 0.00 1.34 0.00 0.00 72.50 70.15 2k60 s THR 182 CO 0.90 -0.49 1.86 0.44 -0.54 0.00 0.00 174.62 176.79 2k60 h ASP 183 N 11.04 0.80 -0.00 3.99 5.19 -1.99 0.15 116.42 135.60 2k60 h ASP 183 Ca -0.31 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2k60 h ASP 183 Cb 1.13 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.46 2k60 h ASP 183 CO 1.04 0.56 -0.01 -0.09 -3.12 0.00 0.00 179.24 177.63 2k60 h ARG 184 N 0.94 0.01 -0.61 3.56 2.43 -1.98 -0.64 114.38 118.09 2k60 h ARG 184 Ca 0.28 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 2k60 h ARG 184 Cb -0.05 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2k60 h ARG 184 CO -0.08 0.66 0.23 1.03 -1.51 0.00 0.00 179.97 180.30 2k60 h SER 185 N -0.65 0.83 0.26 -3.80 0.87 -1.93 0.38 113.55 109.50 2k60 h SER 185 Ca -0.00 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2k60 h SER 185 Cb 0.66 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2k60 h SER 185 CO 0.00 0.75 -0.13 -0.74 -0.53 0.00 0.00 176.83 176.19 2k60 h HIS 186 N 0.88 -0.33 -0.48 2.24 -0.00 -0.73 -1.30 115.15 115.44 2k60 h HIS 186 Ca 0.21 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.50 2k60 h HIS 186 Cb 0.20 0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 2k60 h HIS 186 CO 0.01 0.02 0.02 0.07 -0.00 0.00 0.00 177.93 178.05 2k60 h ARG 187 N -0.75 0.79 -0.10 5.26 0.11 -0.73 -1.26 114.38 117.71 2k60 h ARG 187 Ca -0.04 -0.21 -0.02 0.00 0.10 0.00 0.00 59.98 59.82 2k60 h ARG 187 Cb 0.50 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.48 2k60 h ARG 187 CO 0.06 0.79 -0.00 1.96 0.10 0.00 0.00 179.97 182.88 2k60 h GLN 188 N 0.74 0.17 -0.54 0.08 1.08 -0.26 0.27 115.11 116.65 2k60 h GLN 188 Ca 0.15 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 2k60 h GLN 188 Cb 0.43 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2k60 h GLN 188 CO 0.02 0.43 -0.07 0.87 -0.95 0.00 0.00 178.83 179.13 2k60 h LYS 189 N -0.11 0.98 -0.13 1.46 6.56 -1.05 0.40 116.57 124.68 2k60 h LYS 189 Ca 0.03 -0.34 -0.01 0.00 -1.06 0.00 0.00 60.65 59.27 2k60 h LYS 189 Cb 0.36 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 2k60 h LYS 189 CO 0.01 1.01 0.04 -0.07 -2.06 0.00 0.00 179.45 178.37 2k60 h LEU 190 N 0.88 0.19 -0.47 2.94 -0.00 -1.15 -1.76 115.31 115.96 2k60 h LEU 190 Ca 0.15 -0.21 -0.07 0.00 -0.00 0.00 0.00 57.88 57.75 2k60 h LEU 190 Cb 0.61 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 2k60 h LEU 190 CO 0.04 0.35 0.01 0.06 -0.00 0.00 0.00 178.44 178.90 2k60 h GLN 191 N 0.03 0.82 -0.28 1.13 3.07 -0.19 0.42 115.11 120.11 2k60 h GLN 191 Ca 0.04 -0.26 0.06 0.00 0.09 0.00 0.00 58.65 58.59 2k60 h GLN 191 Cb 0.23 -0.08 -0.07 0.00 0.08 0.00 0.00 27.48 27.64 2k60 h GLN 191 CO -0.00 0.86 -0.18 -0.07 0.09 0.00 0.00 178.83 179.54 2k60 h LEU 192 N 0.67 -0.58 -0.00 0.06 4.07 -0.13 0.61 115.31 120.00 2k60 h LEU 192 Ca 0.13 0.12 -0.08 0.00 0.08 0.00 0.00 57.88 58.14 2k60 h LEU 192 Cb 0.49 0.30 0.01 0.00 1.08 0.00 0.00 40.66 42.54 2k60 h LEU 192 CO 0.02 -0.22 -0.29 0.11 -1.08 0.00 0.00 178.44 176.98 2k60 h LYS 193 N -0.15 0.20 -0.32 1.13 6.56 -1.14 -1.82 116.57 121.03 2k60 h LYS 193 Ca 0.15 -0.21 -0.13 0.00 -1.06 0.00 0.00 60.65 59.39 2k60 h LYS 193 Cb 0.38 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 2k60 h LYS 193 CO -0.37 0.95 -0.31 0.00 -2.06 0.00 0.00 179.45 177.65 2k60 h ALA 194 N 0.26 0.47 -0.27 3.86 0.00 -0.03 0.10 119.26 123.65 2k60 h ALA 194 Ca -0.04 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2k60 h ALA 194 Cb 1.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2k60 h ALA 194 CO 0.06 0.51 -0.24 1.25 0.00 0.00 0.00 179.25 180.83 2k60 h LEU 195 N 0.55 0.68 -1.64 0.00 5.85 0.10 0.33 115.31 121.20 2k60 h LEU 195 Ca 0.05 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 2k60 h LEU 195 Cb 0.89 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2k60 h LEU 195 CO 0.08 1.00 0.10 -0.78 -0.34 0.00 0.00 178.44 178.50 2k60 h ASP 196 N 0.37 0.30 0.08 1.25 3.58 -1.24 -0.35 116.42 120.40 2k60 h ASP 196 Ca 0.05 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k60 h ASP 196 Cb 0.80 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2k60 h ASP 196 CO 0.06 0.28 -0.04 0.74 -2.88 0.00 0.00 179.24 177.40 2k60 h THR 197 N 0.34 1.19 0.00 2.25 2.02 -0.46 0.32 112.91 118.57 2k60 h THR 197 Ca 0.09 -1.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 2k60 h THR 197 Cb 0.07 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2k60 h THR 197 CO -0.01 0.28 -0.12 -0.37 0.37 0.00 0.00 175.52 175.67 2k60 h VAL 198 N -0.65 0.56 0.00 3.16 -1.51 0.03 0.62 116.25 118.47 2k60 h VAL 198 Ca -0.01 -0.54 -0.08 0.00 -1.23 0.00 0.00 66.70 64.84 2k60 h VAL 198 Cb 0.54 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 2k60 h VAL 198 CO 0.02 0.12 -0.61 -0.07 -1.23 0.00 0.00 177.57 175.80 2k60 h LEU 199 N 0.00 0.00 0.00 4.19 3.38 -1.10 -3.41 115.31 118.37 2k60 h LEU 199 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2k60 h LEU 199 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2k60 h LEU 199 CO 0.02 1.02 -0.17 0.33 0.09 0.00 0.00 178.44 179.73 2k60 n PHE 200 N -4.58 0.03 0.00 1.13 7.35 0.11 -4.92 117.46 116.58 2k60 n PHE 200 Ca -0.16 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 2k60 n PHE 200 Cb 0.41 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 40.10 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41