#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 7.51 0.34 1.61 0.01 -1.26 -4.93 113.70 116.97 2k60 s SER -4 Ca 0.00 1.79 0.11 0.00 1.31 0.00 0.00 55.95 59.17 2k60 s SER -4 Cb 0.00 -2.58 0.60 0.00 0.21 0.00 0.00 66.02 64.25 2k60 s SER -4 CO 0.00 0.01 1.76 -0.74 0.41 0.00 0.00 173.24 174.68 2k60 h HIS -3 N 5.18 0.03 -0.44 2.43 -0.00 -1.98 -2.24 115.15 118.13 2k60 h HIS -3 Ca -0.44 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 59.92 2k60 h HIS -3 Cb 1.21 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.59 2k60 h HIS -3 CO 0.64 0.46 0.26 0.00 -0.00 0.00 0.00 177.93 179.29 2k60 h MET -2 N 0.02 0.60 0.00 5.26 -0.00 -2.01 -3.48 114.93 115.32 2k60 h MET -2 Ca -0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2k60 h MET -2 Cb 0.78 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 2k60 h MET -2 CO 0.06 0.45 0.00 0.00 -0.00 0.00 0.00 176.91 177.41 2k60 n ALA -1 N -2.25 0.00 -2.68 -3.00 0.00 -0.84 -5.00 120.51 106.74 2k60 n ALA -1 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 2k60 n ALA -1 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 2k60 n ALA -1 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k60 s SER 0 N 0.00 6.83 -0.33 0.00 0.01 -1.26 -4.44 113.70 114.51 2k60 s SER 0 Ca 0.00 -2.39 -0.05 0.00 1.31 0.00 0.00 55.95 54.82 2k60 s SER 0 Cb 0.00 -2.53 0.19 0.00 0.21 0.00 0.00 66.02 63.89 2k60 s SER 0 CO 0.00 -1.12 0.92 -0.55 0.41 0.00 0.00 173.24 172.90 2k60 s SER 58 N 3.99 -0.71 0.45 2.44 0.15 -1.26 -5.03 113.70 113.74 2k60 s SER 58 Ca 0.49 -0.20 0.06 0.00 0.70 0.00 0.00 55.95 57.00 2k60 s SER 58 Cb 0.01 1.09 -0.02 0.00 -1.71 0.00 0.00 66.02 65.39 2k60 s SER 58 CO 0.02 -0.10 0.25 -0.70 1.20 0.00 0.00 173.24 173.91 2k60 s GLU 59 N 2.27 2.28 0.00 5.44 2.12 -1.26 -4.81 118.70 124.74 2k60 s GLU 59 Ca 0.18 -1.88 0.00 0.00 0.36 0.00 0.00 54.97 53.63 2k60 s GLU 59 Cb -0.01 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.35 2k60 s GLU 59 CO -0.16 -0.26 0.00 -0.25 -0.54 0.00 0.00 175.26 174.05 2k60 n ASP 60 N -1.40 0.00 -4.91 -1.70 8.00 -1.26 -4.78 116.55 110.50 2k60 n ASP 60 Ca -0.02 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.28 2k60 n ASP 60 Cb 0.64 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.72 2k60 n ASP 60 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2k60 s GLU 61 N 0.00 2.60 -0.25 -1.24 2.02 -1.26 -5.10 118.70 115.46 2k60 s GLU 61 Ca 0.00 -1.47 -0.01 0.00 0.02 0.00 0.00 54.97 53.51 2k60 s GLU 61 Cb 0.00 -2.46 0.07 0.00 0.10 0.00 0.00 34.13 31.85 2k60 s GLU 61 CO 0.00 -0.21 0.04 0.15 0.02 0.00 0.00 175.26 175.25 2k60 s LYS 62 N -4.18 0.93 0.56 1.61 -0.14 -1.26 -4.97 119.74 112.30 2k60 s LYS 62 Ca 0.50 -0.82 0.08 0.00 -1.36 0.00 0.00 55.97 54.36 2k60 s LYS 62 Cb -0.05 -2.22 0.10 0.00 -1.68 0.00 0.00 37.83 33.98 2k60 s LYS 62 CO 0.29 -0.76 0.78 1.28 -0.76 0.00 0.00 175.35 176.18 2k60 n LEU 63 N 4.87 0.00 -0.05 3.17 4.77 -1.26 -5.03 117.00 123.47 2k60 n LEU 63 Ca -0.07 -2.28 -0.12 0.00 -0.03 0.00 0.00 56.01 53.51 2k60 n LEU 63 Cb 0.44 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 2k60 n LEU 63 CO 0.14 -0.74 -0.82 -1.20 -1.33 0.00 0.00 177.39 173.44 2k60 n SER 64 N -2.46 0.97 -0.34 -1.43 7.64 -1.26 -4.11 113.62 112.63 2k60 n SER 64 Ca 0.15 0.22 -0.02 0.00 1.01 0.00 0.00 58.87 60.23 2k60 n SER 64 Cb 0.56 0.04 0.10 0.00 -1.01 0.00 0.00 64.21 63.90 2k60 n SER 64 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2k60 h PHE 65 N 0.01 1.14 -0.60 1.43 3.04 -2.00 -0.96 116.94 119.01 2k60 h PHE 65 Ca -0.41 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.53 2k60 h PHE 65 Cb 2.07 -0.39 -0.03 0.00 2.56 0.00 0.00 35.95 40.17 2k60 h PHE 65 CO 0.02 0.70 0.21 1.05 -2.02 0.00 0.00 178.31 178.27 2k60 h GLU 66 N 1.22 0.89 -0.16 1.11 4.11 -1.96 -1.12 114.58 118.66 2k60 h GLU 66 Ca 0.34 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.60 2k60 h GLU 66 Cb -0.10 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2k60 h GLU 66 CO -0.09 0.75 0.01 0.00 0.07 0.00 0.00 179.01 179.75 2k60 h ALA 67 N 1.36 0.22 0.33 1.06 0.00 -1.37 0.21 119.26 121.07 2k60 h ALA 67 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k60 h ALA 67 Cb 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k60 h ALA 67 CO -0.01 -0.09 -0.30 0.28 0.00 0.00 0.00 179.25 179.13 2k60 h VAL 68 N 0.05 0.38 0.00 0.00 2.07 -0.90 -1.27 116.25 116.57 2k60 h VAL 68 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2k60 h VAL 68 Cb 0.35 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2k60 h VAL 68 CO 0.01 0.00 -0.12 0.08 0.02 0.00 0.00 177.57 177.56 2k60 h ARG 69 N -0.64 0.00 0.04 1.57 0.11 -1.18 -1.77 114.38 112.51 2k60 h ARG 69 Ca -0.02 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 2k60 h ARG 69 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2k60 h ARG 69 CO -0.04 0.12 -0.02 -0.97 0.10 0.00 0.00 179.97 179.16 2k60 h ASN 70 N 0.00 -0.05 0.22 0.08 -0.73 0.49 0.46 115.58 116.06 2k60 h ASN 70 Ca -0.00 -0.19 -0.06 0.00 1.87 0.00 0.00 56.30 57.92 2k60 h ASN 70 Cb 0.26 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 2k60 h ASN 70 CO 0.02 0.16 -0.25 0.40 -0.37 0.00 0.00 177.43 177.39 2k60 h ILE 71 N -0.26 1.20 -0.23 2.57 5.03 -0.61 -0.45 117.51 124.76 2k60 h ILE 71 Ca -0.01 -0.92 -0.14 0.00 -0.12 0.00 0.00 64.86 63.67 2k60 h ILE 71 Cb 0.23 1.45 -0.01 0.00 -3.03 0.00 0.00 36.82 35.47 2k60 h ILE 71 CO 0.01 0.27 -0.44 0.45 -0.68 0.00 0.00 178.15 177.76 2k60 h HIS 72 N 0.05 0.68 0.00 1.37 3.86 -0.98 -2.98 115.15 117.15 2k60 h HIS 72 Ca 0.01 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 58.98 2k60 h HIS 72 Cb 0.47 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 2k60 h HIS 72 CO 0.00 0.90 -0.13 1.57 0.86 0.00 0.00 177.93 181.13 2k60 h LYS 73 N 0.46 0.00 -0.90 2.45 5.09 0.15 -2.48 116.57 121.34 2k60 h LYS 73 Ca 0.03 0.00 0.26 0.00 0.09 0.00 0.00 60.65 61.03 2k60 h LYS 73 Cb 0.95 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.24 2k60 h LYS 73 CO 0.08 0.13 0.66 -0.07 -2.09 0.00 0.00 179.45 178.16 2k60 h LEU 74 N 0.00 0.00 0.00 7.07 3.38 -1.08 -3.00 115.31 121.68 2k60 h LEU 74 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k60 h LEU 74 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k60 h LEU 74 CO 0.02 0.00 -0.27 0.24 0.09 0.00 0.00 178.44 178.52 2k60 h MET 75 N 0.00 0.00 -5.89 1.13 2.86 -1.63 -3.44 114.93 107.97 2k60 h MET 75 Ca 0.43 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.54 2k60 h MET 75 Cb 1.73 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.39 2k60 h MET 75 CO -0.00 0.17 1.50 0.34 1.06 0.00 0.00 176.91 179.97 2k60 s ASP 76 N -5.77 5.10 0.20 1.22 2.15 -1.13 -4.00 116.67 114.44 2k60 s ASP 76 Ca -0.09 1.34 -0.11 0.00 0.43 0.00 0.00 52.55 54.12 2k60 s ASP 76 Cb 0.01 -2.51 0.18 0.00 -0.30 0.00 0.00 42.92 40.30 2k60 s ASP 76 CO 0.18 -2.32 1.84 -0.78 -0.17 0.00 0.00 175.17 173.92 2k60 h ASP 77 N 16.49 0.67 0.65 -0.34 3.58 -1.76 -2.26 116.42 133.44 2k60 h ASP 77 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2k60 h ASP 77 Cb 1.23 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.14 2k60 h ASP 77 CO 1.07 0.46 -0.24 -0.90 -2.88 0.00 0.00 179.24 176.75 2k60 n ASP 78 N -4.70 0.33 -3.61 2.28 5.75 -1.26 -4.94 116.55 110.39 2k60 n ASP 78 Ca 0.07 -0.06 -0.27 0.00 -0.01 0.00 0.00 54.79 54.52 2k60 n ASP 78 Cb 0.09 -0.08 0.04 0.00 -1.03 0.00 0.00 41.12 40.14 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 -1.37 -2.57 1.23 2.12 0.00 -0.85 -4.76 120.51 114.30 2k60 n ALA 79 Ca 0.08 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.44 2k60 n ALA 79 Cb 0.33 -3.71 0.29 0.00 0.00 0.00 0.00 19.45 16.36 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 -2.61 2.09 0.00 0.00 6.94 -1.26 -4.90 115.26 115.52 2k60 n ASN 80 Ca -0.10 -1.63 0.00 0.00 -0.02 0.00 0.00 54.58 52.83 2k60 n ASN 80 Cb 0.59 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 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 1.29 1.01 2.77 4.83 0.00 -1.26 -5.03 105.19 108.80 2k60 n GLY 81 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.83 0.18 -0.44 1.61 1.47 -1.26 -3.43 116.67 112.97 2k60 s ASP 82 Ca 0.00 0.07 -0.23 0.00 1.18 0.00 0.00 52.55 53.57 2k60 s ASP 82 Cb 0.00 -0.05 0.02 0.00 -0.34 0.00 0.00 42.92 42.55 2k60 s ASP 82 CO 0.00 -0.15 0.75 -0.69 0.68 0.00 0.00 175.17 175.77 2k60 s VAL 83 N 1.22 4.70 0.48 2.11 1.01 0.12 -4.87 120.40 125.17 2k60 s VAL 83 Ca -0.07 0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 2k60 s VAL 83 Cb -0.13 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2k60 s VAL 83 CO -0.03 -0.66 0.79 -0.62 0.00 0.00 0.00 175.10 174.58 2k60 s ASP 84 N 2.07 6.21 0.36 3.32 2.15 -1.26 -0.85 116.67 128.68 2k60 s ASP 84 Ca 0.29 0.89 0.05 0.00 0.43 0.00 0.00 52.55 54.21 2k60 s ASP 84 Cb -0.13 -2.20 0.73 0.00 -0.30 0.00 0.00 42.92 41.03 2k60 s ASP 84 CO 0.21 -0.61 1.98 -0.37 -0.17 0.00 0.00 175.17 176.22 2k60 h VAL 85 N 0.21 1.06 0.00 1.11 -1.51 -1.93 -0.47 116.25 114.72 2k60 h VAL 85 Ca -0.47 -0.26 -0.13 0.00 -1.23 0.00 0.00 66.70 64.61 2k60 h VAL 85 Cb 1.21 0.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 2k60 h VAL 85 CO 0.61 0.14 -0.62 -0.33 -1.23 0.00 0.00 177.57 176.14 2k60 h GLU 86 N 0.76 0.00 0.02 5.19 5.08 -1.98 -2.46 114.58 121.20 2k60 h GLU 86 Ca 0.28 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.40 2k60 h GLU 86 Cb 0.15 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.42 2k60 h GLU 86 CO -0.08 0.62 -0.96 0.93 -1.00 0.00 0.00 179.01 178.51 2k60 h GLU 87 N 0.00 0.61 -0.02 2.33 5.08 -1.70 -3.20 114.58 117.68 2k60 h GLU 87 Ca -0.01 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 2k60 h GLU 87 Cb 1.43 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.88 2k60 h GLU 87 CO 0.08 1.28 0.00 -1.13 -1.00 0.00 0.00 179.01 178.24 2k60 n SER 88 N -3.95 0.44 -0.21 1.42 3.41 -0.26 -4.24 113.62 110.23 2k60 n SER 88 Ca -0.11 -1.27 -0.06 0.00 -0.26 0.00 0.00 58.87 57.17 2k60 n SER 88 Cb 0.85 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.60 -0.54 0.10 4.04 2.03 -0.93 -0.82 116.55 119.83 2k60 n ASP 89 Ca 0.20 1.38 -0.20 0.00 0.52 0.00 0.00 54.79 56.69 2k60 n ASP 89 Cb 0.17 -0.35 -0.15 0.00 -0.72 0.00 0.00 41.12 40.07 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 0.36 0.00 -0.67 4.11 -1.89 -3.41 114.58 113.09 2k60 h GLU 90 Ca 0.08 -0.61 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2k60 h GLU 90 Cb 0.21 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2k60 h GLU 90 CO -0.48 1.26 0.00 1.19 0.07 0.00 0.00 179.01 181.05 2k60 n PHE 91 N -3.57 0.00 -0.20 2.06 3.01 -0.33 -1.57 117.46 116.86 2k60 n PHE 91 Ca -0.16 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.31 2k60 n PHE 91 Cb 1.06 -0.28 0.12 0.00 -0.01 0.00 0.00 39.48 40.37 2k60 n PHE 91 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2k60 h LEU 92 N 0.00 0.08 0.22 4.37 5.85 -1.23 0.23 115.31 124.83 2k60 h LEU 92 Ca 0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2k60 h LEU 92 Cb 0.00 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2k60 h LEU 92 CO 0.00 0.04 -0.29 0.03 -0.34 0.00 0.00 178.44 177.88 2k60 h ARG 93 N 0.31 -0.51 0.06 1.25 3.08 -1.70 -1.92 114.38 114.95 2k60 h ARG 93 Ca 0.32 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 2k60 h ARG 93 Cb 0.47 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2k60 h ARG 93 CO -0.38 -0.34 -0.03 0.93 -1.07 0.00 0.00 179.97 179.08 2k60 h GLU 94 N -0.53 -0.08 -0.32 0.04 4.39 -0.99 0.70 114.58 117.78 2k60 h GLU 94 Ca -0.03 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.77 2k60 h GLU 94 Cb 0.48 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2k60 h GLU 94 CO -0.07 0.46 0.28 0.22 -1.16 0.00 0.00 179.01 178.74 2k60 h ASP 95 N -0.92 0.00 0.00 1.42 3.58 -0.59 -1.57 116.42 118.34 2k60 h ASP 95 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k60 h ASP 95 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2k60 h ASP 95 CO 0.01 0.00 -0.01 0.00 -2.88 0.00 0.00 179.24 176.36 2k60 n LEU 96 N -4.09 0.00 -0.46 2.28 -0.00 -0.79 -4.53 117.00 109.42 2k60 n LEU 96 Ca 0.05 -0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.16 2k60 n LEU 96 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.85 2k60 n LEU 96 CO 0.32 0.00 0.28 -3.20 -0.00 0.00 0.00 177.39 174.79 2k60 n ASN 97 N -0.02 1.93 0.00 1.45 4.05 0.18 -4.76 115.26 118.09 2k60 n ASN 97 Ca 0.00 -1.46 0.00 0.00 0.45 0.00 0.00 54.58 53.57 2k60 n ASN 97 Cb 0.00 0.50 0.00 0.00 1.23 0.00 0.00 39.78 41.51 2k60 n ASN 97 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2k60 n TYR 98 N -0.10 0.00 0.00 1.20 4.02 0.22 -3.91 117.16 118.59 2k60 n TYR 98 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2k60 n TYR 98 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 2k60 n TYR 98 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 2k60 n HIS 99 N 0.00 0.00 -4.30 -0.72 -0.00 -1.25 -3.90 115.22 105.04 2k60 n HIS 99 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 2k60 n HIS 99 Cb 0.00 -0.20 -0.16 0.00 -0.00 0.00 0.00 29.99 29.63 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 -3.54 1.06 0.00 0.26 -4.77 -1.25 -4.70 116.67 103.73 2k60 s ASP 100 Ca 0.00 -0.16 0.26 0.00 -3.30 0.00 0.00 52.55 49.35 2k60 s ASP 100 Cb 0.00 -0.34 1.07 0.00 -1.09 0.00 0.00 42.92 42.56 2k60 s ASP 100 CO 0.00 0.03 1.74 -0.81 0.70 0.00 0.00 175.17 176.83 2k60 n PRO 101 N 3.47 1.57 -0.30 2.11 -0.04 -1.26 -4.20 135.00 136.35 2k60 n PRO 101 Ca -0.20 -0.83 0.14 0.00 -0.04 0.00 0.00 63.50 62.57 2k60 n PRO 101 Cb 0.54 -1.45 0.39 0.00 -0.04 0.00 0.00 33.50 32.94 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 1.90 0.75 0.47 0.52 2.02 -1.97 0.38 112.91 116.97 2k60 h THR 102 Ca 0.00 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2k60 h THR 102 Cb 0.41 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2k60 h THR 102 CO 0.00 0.12 -0.32 0.58 0.37 0.00 0.00 175.52 176.27 2k60 h VAL 103 N 0.65 0.34 -0.13 3.16 2.07 -1.99 0.13 116.25 120.48 2k60 h VAL 103 Ca 0.51 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.80 2k60 h VAL 103 Cb 0.92 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2k60 h VAL 103 CO -0.26 0.00 -0.80 0.50 0.02 0.00 0.00 177.57 177.03 2k60 h LYS 104 N -0.77 0.73 0.08 1.57 1.63 -1.56 -0.24 116.57 118.01 2k60 h LYS 104 Ca -0.05 -0.62 0.01 0.00 -0.85 0.00 0.00 60.65 59.14 2k60 h LYS 104 Cb 0.64 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.39 2k60 h LYS 104 CO 0.03 1.23 -0.13 0.45 -3.45 0.00 0.00 179.45 177.57 2k60 h HIS 105 N 0.49 -0.35 0.00 1.91 3.86 -0.25 0.87 115.15 121.69 2k60 h HIS 105 Ca -0.06 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.02 2k60 h HIS 105 Cb 1.43 0.14 -0.02 0.00 1.06 0.00 0.00 27.41 30.03 2k60 h HIS 105 CO 0.08 -0.20 -0.64 0.77 0.86 0.00 0.00 177.93 178.80 2k60 h SER 106 N -0.27 0.00 -0.03 2.45 0.02 -0.78 -0.24 113.55 114.71 2k60 h SER 106 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2k60 h SER 106 Cb 0.28 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 2k60 h SER 106 CO -0.08 0.64 -0.02 0.74 -1.14 0.00 0.00 176.83 176.97 2k60 h THR 107 N 0.00 1.34 0.30 -2.27 2.02 -0.83 -2.11 112.91 111.37 2k60 h THR 107 Ca -0.01 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 2k60 h THR 107 Cb 1.20 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 2k60 h THR 107 CO 0.08 0.28 -0.14 0.15 0.37 0.00 0.00 175.52 176.26 2k60 h PHE 108 N -0.35 -0.37 0.10 3.16 3.57 -0.81 -3.38 116.94 118.85 2k60 h PHE 108 Ca 0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2k60 h PHE 108 Cb 0.46 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2k60 h PHE 108 CO 0.07 -0.23 -0.05 1.25 -2.23 0.00 0.00 178.31 177.12 2k60 h HIS 109 N -1.09 -0.13 0.00 0.41 2.76 -1.22 -3.48 115.15 112.39 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 0.35 0.00 0.41 -1.30 0.00 0.00 177.93 177.39 2k60 n GLY 110 N 0.98 2.79 0.08 5.26 0.00 -0.79 -4.77 105.19 108.74 2k60 n GLY 110 Ca -0.07 -0.80 0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 1.10 -2.27 1.61 2.13 -1.26 -4.58 120.64 117.38 2k60 n GLU 111 Ca 0.00 -0.16 -0.05 0.00 0.66 0.00 0.00 57.16 57.61 2k60 n GLU 111 Cb 0.00 -1.16 0.02 0.00 0.27 0.00 0.00 31.44 30.57 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 -0.49 -4.24 0.00 4.31 2.03 -1.25 -4.98 116.55 111.92 2k60 n ASP 112 Ca 0.07 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2k60 n ASP 112 Cb 0.07 -2.71 0.00 0.00 -0.72 0.00 0.00 41.12 37.75 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 -2.03 0.00 -2.44 -0.67 5.02 -1.26 -4.89 118.16 111.90 2k60 n LYS 113 Ca -0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.90 2k60 n LYS 113 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.52 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 4.05 -0.08 -0.35 1.02 -1.26 -4.51 118.68 117.55 2k60 s LEU 114 Ca 0.00 2.12 0.03 0.00 0.02 0.00 0.00 54.13 56.31 2k60 s LEU 114 Cb 0.00 -4.26 -0.02 0.00 0.02 0.00 0.00 46.19 41.94 2k60 s LEU 114 CO 0.00 -0.69 -0.18 -0.63 0.02 0.00 0.00 176.35 174.87 2k60 s ILE 115 N -1.66 2.70 -0.01 -0.59 -1.09 -0.03 -4.42 121.20 116.11 2k60 s ILE 115 Ca 0.61 -0.82 0.02 0.00 -2.23 0.00 0.00 60.65 58.23 2k60 s ILE 115 Cb -0.24 -2.06 -0.00 0.00 -1.58 0.00 0.00 42.46 38.58 2k60 s ILE 115 CO 0.29 0.56 -0.08 -0.44 -1.23 0.00 0.00 174.94 174.05 2k60 s SER 116 N -0.16 0.93 0.22 3.58 0.01 -1.26 0.12 113.70 117.15 2k60 s SER 116 Ca -0.02 -0.14 -0.06 0.00 1.31 0.00 0.00 55.95 57.04 2k60 s SER 116 Cb -0.14 -0.13 0.21 0.00 0.21 0.00 0.00 66.02 66.18 2k60 s SER 116 CO 0.04 0.09 1.73 -0.37 0.41 0.00 0.00 173.24 175.13 2k60 h VAL 117 N 5.02 1.25 -0.35 3.43 -1.51 -1.94 -0.51 116.25 121.66 2k60 h VAL 117 Ca -0.30 -1.02 -0.15 0.00 -1.23 0.00 0.00 66.70 64.01 2k60 h VAL 117 Cb 1.18 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 2k60 h VAL 117 CO 0.50 0.37 -0.35 1.05 -1.23 0.00 0.00 177.57 177.91 2k60 h GLU 118 N 0.91 0.85 0.00 5.19 4.11 -1.97 0.45 114.58 124.12 2k60 h GLU 118 Ca 0.18 -0.45 -0.03 0.00 0.07 0.00 0.00 59.36 59.12 2k60 h GLU 118 Cb 0.44 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k60 h GLU 118 CO 0.01 1.09 -0.16 0.22 0.07 0.00 0.00 179.01 180.25 2k60 h ASP 119 N 0.64 0.00 0.16 3.06 3.58 -1.93 -1.30 116.42 120.63 2k60 h ASP 119 Ca 0.05 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.24 2k60 h ASP 119 Cb 0.94 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.01 2k60 h ASP 119 CO 0.09 0.16 -1.08 -0.07 -2.88 0.00 0.00 179.24 175.45 2k60 h LEU 120 N 0.00 0.78 -0.63 2.28 3.38 -0.90 0.36 115.31 120.57 2k60 h LEU 120 Ca -0.00 -0.66 0.04 0.00 0.09 0.00 0.00 57.88 57.35 2k60 h LEU 120 Cb 0.98 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2k60 h LEU 120 CO 0.02 1.47 0.37 -0.25 0.09 0.00 0.00 178.44 180.14 2k60 h TRP 121 N 0.30 0.68 -0.50 1.13 7.01 -0.39 0.33 115.95 124.51 2k60 h TRP 121 Ca -0.13 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.86 2k60 h TRP 121 Cb 1.74 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 28.56 2k60 h TRP 121 CO 0.09 0.36 0.20 0.87 -2.79 0.00 0.00 178.44 177.17 2k60 h LYS 122 N 0.71 0.75 -0.24 2.65 6.56 -1.23 -1.45 116.57 124.32 2k60 h LYS 122 Ca 0.27 -0.14 0.02 0.00 -1.06 0.00 0.00 60.65 59.74 2k60 h LYS 122 Cb 0.10 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.62 2k60 h LYS 122 CO -0.14 0.67 0.11 0.00 -2.06 0.00 0.00 179.45 178.04 2k60 h ALA 123 N 1.05 0.28 -0.30 3.86 0.00 -0.02 -0.51 119.26 123.62 2k60 h ALA 123 Ca 0.17 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2k60 h ALA 123 Cb 0.20 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2k60 h ALA 123 CO -0.01 -0.29 -0.01 2.35 0.00 0.00 0.00 179.25 181.29 2k60 h TRP 124 N 0.25 -0.03 0.00 0.00 7.01 -0.31 0.17 115.95 123.04 2k60 h TRP 124 Ca 0.10 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.12 2k60 h TRP 124 Cb 0.03 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 2k60 h TRP 124 CO -0.10 -0.06 0.00 0.87 -2.79 0.00 0.00 178.44 176.36 2k60 h LYS 125 N 0.08 0.00 -0.11 2.65 1.57 -0.74 -1.03 116.57 118.98 2k60 h LYS 125 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2k60 h LYS 125 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2k60 h LYS 125 CO -0.25 0.00 0.00 0.45 -0.57 0.00 0.00 179.45 179.08 2k60 n SER 126 N -2.79 2.57 -5.01 0.86 2.88 -0.25 -4.91 113.62 106.98 2k60 n SER 126 Ca -0.01 -1.75 -0.17 0.00 -1.33 0.00 0.00 58.87 55.61 2k60 n SER 126 Cb 0.17 -0.06 0.01 0.00 -0.75 0.00 0.00 64.21 63.58 2k60 n SER 126 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2k60 s SER 127 N -1.31 5.60 0.53 -3.46 0.15 0.47 -4.98 113.70 110.70 2k60 s SER 127 Ca 0.22 -0.46 0.31 0.00 0.70 0.00 0.00 55.95 56.72 2k60 s SER 127 Cb 0.15 -0.59 1.35 0.00 -1.71 0.00 0.00 66.02 65.22 2k60 s SER 127 CO 0.21 -0.80 1.99 -0.33 1.20 0.00 0.00 173.24 175.51 2k60 h GLU 128 N 0.62 0.00 0.23 5.44 4.39 -1.89 -3.26 114.58 120.10 2k60 h GLU 128 Ca -0.39 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.32 2k60 h GLU 128 Cb 1.28 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 2k60 h GLU 128 CO 0.45 0.07 -0.38 0.28 -1.16 0.00 0.00 179.01 178.27 2k60 h VAL 129 N 0.00 0.22 0.00 3.13 2.07 -1.89 -0.55 116.25 119.23 2k60 h VAL 129 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k60 h VAL 129 Cb 0.51 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2k60 h VAL 129 CO 0.01 0.00 -0.06 0.22 0.02 0.00 0.00 177.57 177.76 2k60 h TYR 130 N -0.68 0.00 0.00 1.57 3.20 -1.59 -1.75 116.97 117.72 2k60 h TYR 130 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2k60 h TYR 130 Cb 0.66 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2k60 h TYR 130 CO -0.28 0.06 -0.88 -0.97 -1.64 0.00 0.00 178.16 174.45 2k60 h ASN 131 N 0.00 0.00 -2.60 -2.11 -1.24 -1.47 -3.42 115.58 104.74 2k60 h ASN 131 Ca -0.00 -0.10 -0.53 0.00 0.71 0.00 0.00 56.30 56.37 2k60 h ASN 131 Cb 0.26 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.33 2k60 h ASN 131 CO 0.01 0.05 1.07 0.26 -1.29 0.00 0.00 177.43 177.53 2k60 s TRP 132 N -3.29 2.11 0.39 0.67 0.51 -0.29 -4.94 118.94 114.11 2k60 s TRP 132 Ca 0.02 0.11 -0.05 0.00 -2.12 0.00 0.00 56.10 54.06 2k60 s TRP 132 Cb 0.11 -4.04 0.09 0.00 -0.81 0.00 0.00 33.47 28.82 2k60 s TRP 132 CO 0.77 -4.31 0.54 -2.37 -0.51 0.00 0.00 176.95 171.06 2k60 n THR 133 N 5.00 0.00 -0.15 2.01 5.66 -1.26 -0.88 114.28 124.66 2k60 n THR 133 Ca 0.17 -0.52 -0.07 0.00 -3.05 0.00 0.00 64.05 60.57 2k60 n THR 133 Cb 0.41 -1.57 0.01 0.00 -1.55 0.00 0.00 70.33 67.62 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 -1.05 1.13 -0.99 1.08 2.07 -1.94 -1.78 116.25 114.77 2k60 h VAL 134 Ca -0.17 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.16 2k60 h VAL 134 Cb 0.53 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 2k60 h VAL 134 CO 0.14 0.12 0.64 0.44 0.02 0.00 0.00 177.57 178.94 2k60 h ASP 135 N 0.63 1.03 -0.01 0.57 5.19 -1.94 0.11 116.42 122.00 2k60 h ASP 135 Ca 0.17 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2k60 h ASP 135 Cb -0.06 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.24 2k60 h ASP 135 CO -0.04 0.67 -0.00 -0.33 -3.12 0.00 0.00 179.24 176.42 2k60 h GLU 136 N 1.17 0.01 -0.24 3.56 4.39 -1.78 -1.66 114.58 120.03 2k60 h GLU 136 Ca 0.42 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.02 2k60 h GLU 136 Cb 0.13 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2k60 h GLU 136 CO -0.16 0.36 -0.25 -0.24 -1.16 0.00 0.00 179.01 177.57 2k60 h VAL 137 N -0.34 1.26 0.17 3.13 3.04 -0.98 -0.81 116.25 121.72 2k60 h VAL 137 Ca 0.00 -1.25 -0.01 0.00 -1.01 0.00 0.00 66.70 64.44 2k60 h VAL 137 Cb 0.36 1.35 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 2k60 h VAL 137 CO 0.00 0.39 -0.09 0.58 -1.01 0.00 0.00 177.57 177.44 2k60 h VAL 138 N 0.40 0.80 -0.02 1.51 2.07 -0.68 0.54 116.25 120.88 2k60 h VAL 138 Ca 0.06 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 2k60 h VAL 138 Cb 0.65 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2k60 h VAL 138 CO 0.05 0.00 -0.36 0.06 0.02 0.00 0.00 177.57 177.34 2k60 h GLN 139 N -0.25 0.04 -0.10 1.57 3.07 -1.06 -1.59 115.11 116.78 2k60 h GLN 139 Ca -0.02 -0.01 -0.08 0.00 0.09 0.00 0.00 58.65 58.63 2k60 h GLN 139 Cb 0.20 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 2k60 h GLN 139 CO 0.03 0.39 -0.24 2.35 0.09 0.00 0.00 178.83 181.44 2k60 h TRP 140 N 0.03 0.44 -0.71 0.06 2.91 -0.76 -1.34 115.95 116.58 2k60 h TRP 140 Ca 0.00 -0.17 -0.06 0.00 1.13 0.00 0.00 58.89 59.80 2k60 h TRP 140 Cb 0.65 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.19 2k60 h TRP 140 CO 0.00 0.86 0.22 1.37 -1.03 0.00 0.00 178.44 179.86 2k60 h LEU 141 N -0.11 1.02 -0.01 0.65 8.10 0.35 0.20 115.31 125.51 2k60 h LEU 141 Ca -0.00 -0.19 -0.01 0.00 0.11 0.00 0.00 57.88 57.80 2k60 h LEU 141 Cb 0.85 -0.27 0.00 0.00 -0.44 0.00 0.00 40.66 40.80 2k60 h LEU 141 CO 0.05 0.95 -0.02 0.16 -4.11 0.00 0.00 178.44 175.47 2k60 h ILE 142 N 1.05 1.44 0.00 0.15 3.07 -1.29 0.28 117.51 122.21 2k60 h ILE 142 Ca 0.23 -1.32 -0.02 0.00 1.55 0.00 0.00 64.86 65.30 2k60 h ILE 142 Cb 0.30 2.32 -0.00 0.00 -0.27 0.00 0.00 36.82 39.16 2k60 h ILE 142 CO -0.01 0.35 -0.09 0.00 -1.05 0.00 0.00 178.15 177.35 2k60 h THR 143 N -0.52 0.30 0.00 0.16 1.03 -0.98 -0.64 112.91 112.26 2k60 h THR 143 Ca 0.00 -0.58 -0.13 0.00 -0.01 0.00 0.00 66.41 65.69 2k60 h THR 143 Cb 0.58 1.44 -0.02 0.00 -1.07 0.00 0.00 68.15 69.08 2k60 h THR 143 CO 0.00 0.09 -1.24 -1.22 -0.01 0.00 0.00 175.52 173.14 2k60 n TYR 144 N -3.33 0.00 0.15 0.00 4.01 0.04 -4.70 117.16 113.33 2k60 n TYR 144 Ca -0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.75 2k60 n TYR 144 Cb 0.28 -0.36 0.16 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.43 1.12 -0.96 -0.72 2.07 -0.57 -3.47 116.25 113.28 2k60 h VAL 145 Ca -0.20 -2.10 -0.14 0.00 0.82 0.00 0.00 66.70 65.08 2k60 h VAL 145 Cb 0.97 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2k60 h VAL 145 CO -0.12 0.54 -0.17 -0.62 0.02 0.00 0.00 177.57 177.22 2k60 n GLU 146 N -3.48 -0.54 -3.43 1.57 1.02 -0.25 -4.93 120.64 110.60 2k60 n GLU 146 Ca 0.00 0.34 -0.44 0.00 -0.02 0.00 0.00 57.16 57.05 2k60 n GLU 146 Cb 0.65 -4.22 -0.07 0.00 -0.02 0.00 0.00 31.44 27.78 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 -1.95 5.79 -0.04 -4.62 2.01 -1.24 -4.93 118.68 113.69 2k60 s LEU 147 Ca 0.00 -1.68 0.04 0.00 0.01 0.00 0.00 54.13 52.51 2k60 s LEU 147 Cb 0.00 -2.12 0.20 0.00 0.01 0.00 0.00 46.19 44.28 2k60 s LEU 147 CO 0.00 -0.72 0.92 -0.81 1.01 0.00 0.00 176.35 176.75 2k60 n PRO 148 N 5.11 1.84 -0.68 1.29 -0.04 -1.26 -3.52 135.00 137.74 2k60 n PRO 148 Ca -0.12 -0.78 0.07 0.00 -0.04 0.00 0.00 63.50 62.63 2k60 n PRO 148 Cb 0.41 -1.53 0.33 0.00 -0.04 0.00 0.00 33.50 32.67 2k60 n PRO 148 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2k60 n GLN 149 N 0.13 3.95 -0.33 0.54 -0.06 -1.26 -4.49 117.38 115.86 2k60 n GLN 149 Ca 0.07 -2.56 -0.00 0.00 -2.00 0.00 0.00 57.00 52.51 2k60 n GLN 149 Cb 0.39 -2.03 0.13 0.00 -4.06 0.00 0.00 30.24 24.67 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 3.38 1.08 -0.07 3.69 -0.00 -1.97 -1.60 116.97 121.48 2k60 h TYR 150 Ca 0.00 0.03 0.04 0.00 -0.00 0.00 0.00 58.73 58.80 2k60 h TYR 150 Cb 1.58 -0.36 -0.05 0.00 -0.00 0.00 0.00 36.73 37.91 2k60 h TYR 150 CO 0.83 0.60 -0.22 1.49 -0.00 0.00 0.00 178.16 180.86 2k60 h GLU 151 N 1.10 -0.29 0.19 0.10 4.57 -1.92 0.27 114.58 118.59 2k60 h GLU 151 Ca 0.37 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.56 2k60 h GLU 151 Cb 0.06 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2k60 h GLU 151 CO -0.14 -0.19 -0.11 0.93 -1.18 0.00 0.00 179.01 178.32 2k60 h GLU 152 N -0.30 -0.27 -0.43 1.92 3.07 -1.80 -0.95 114.58 115.81 2k60 h GLU 152 Ca 0.08 0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 2k60 h GLU 152 Cb 0.42 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 2k60 h GLU 152 CO -0.25 -0.18 -0.28 0.00 -1.40 0.00 0.00 179.01 176.90 2k60 h THR 153 N -0.29 1.27 -0.07 1.13 1.03 -0.93 0.05 112.91 115.12 2k60 h THR 153 Ca -0.02 -1.44 -0.15 0.00 -0.01 0.00 0.00 66.41 64.80 2k60 h THR 153 Cb 0.23 1.23 -0.01 0.00 -1.07 0.00 0.00 68.15 68.53 2k60 h THR 153 CO 0.03 0.49 -0.62 2.19 -0.01 0.00 0.00 175.52 177.60 2k60 h PHE 154 N 0.78 0.30 0.00 0.00 -5.15 -0.40 -1.07 116.94 111.40 2k60 h PHE 154 Ca 0.09 -0.12 -0.12 0.00 -0.20 0.00 0.00 57.97 57.63 2k60 h PHE 154 Cb 0.84 -0.05 -0.02 0.00 0.22 0.00 0.00 35.95 36.94 2k60 h PHE 154 CO 0.05 0.79 -0.55 0.07 -2.00 0.00 0.00 178.31 176.67 2k60 h ARG 155 N 0.17 0.00 0.00 6.09 0.11 -0.95 0.18 114.38 119.99 2k60 h ARG 155 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2k60 h ARG 155 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2k60 h ARG 155 CO 0.10 0.55 -0.00 0.87 0.10 0.00 0.00 179.97 181.59 2k60 h LYS 156 N 0.00 -0.00 0.00 0.08 1.79 -0.55 -3.41 116.57 114.47 2k60 h LYS 156 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k60 h LYS 156 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2k60 h LYS 156 CO 0.07 0.65 -0.02 1.47 -1.08 0.00 0.00 179.45 180.54 2k60 n LEU 157 N -4.78 0.00 -2.88 2.94 -0.00 -0.44 -5.07 117.00 106.77 2k60 n LEU 157 Ca -0.09 -0.44 -0.03 0.00 -0.00 0.00 0.00 56.01 55.45 2k60 n LEU 157 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2k60 n LEU 157 CO 0.34 0.00 -0.41 0.00 -0.00 0.00 0.00 177.39 177.31 2k60 n GLN 158 N -0.91 -2.60 -2.49 1.47 6.02 0.64 -4.99 117.38 114.51 2k60 n GLN 158 Ca 0.00 2.22 -0.29 0.00 -0.01 0.00 0.00 57.00 58.92 2k60 n GLN 158 Cb 0.00 -4.34 -0.01 0.00 1.02 0.00 0.00 30.24 26.91 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 -1.68 3.58 0.00 1.08 2.34 -1.26 -4.87 118.68 117.87 2k60 s LEU 159 Ca 0.05 1.12 0.00 0.00 0.06 0.00 0.00 54.13 55.37 2k60 s LEU 159 Cb -0.01 -4.08 0.00 0.00 -0.56 0.00 0.00 46.19 41.53 2k60 s LEU 159 CO 0.62 -0.61 0.00 -1.54 -1.06 0.00 0.00 176.35 173.77 2k60 n SER 160 N -2.13 0.00 0.26 1.48 3.41 -1.26 -3.60 113.62 111.78 2k60 n SER 160 Ca 0.03 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.73 2k60 n SER 160 Cb 0.55 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.20 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 1.34 5.00 0.00 -1.10 0.22 103.07 108.54 2k60 h GLY 161 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2k60 h GLY 161 CO 0.00 0.00 -1.16 1.12 0.00 0.00 0.00 176.54 176.50 2k60 h HIS 162 N 0.00 0.00 -0.00 5.60 -0.00 -1.85 -3.29 115.15 115.61 2k60 h HIS 162 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.22 2k60 h HIS 162 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 2k60 h HIS 162 CO 0.00 0.63 -0.73 0.00 -0.00 0.00 0.00 177.93 177.83 2k60 h ALA 163 N 1.37 0.80 -0.43 6.11 0.00 -1.53 -2.20 119.26 123.38 2k60 h ALA 163 Ca -0.12 -0.66 0.07 0.00 0.00 0.00 0.00 54.91 54.21 2k60 h ALA 163 Cb 1.58 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 2k60 h ALA 163 CO 0.06 0.90 -0.42 0.52 0.00 0.00 0.00 179.25 180.32 2k60 h MET 164 N 0.00 -0.30 -0.35 0.00 2.86 -0.69 0.82 114.93 117.28 2k60 h MET 164 Ca -0.01 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 2k60 h MET 164 Cb 1.28 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 2k60 h MET 164 CO 0.09 -0.20 -0.23 -1.00 1.06 0.00 0.00 176.91 176.64 2k60 h PRO 165 N -0.31 0.77 0.00 -0.22 0.13 -1.73 -1.77 132.00 128.86 2k60 h PRO 165 Ca 0.15 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 2k60 h PRO 165 Cb 0.58 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 2k60 h PRO 165 CO -0.59 0.98 -0.04 0.07 -0.23 0.00 0.00 178.00 178.19 2k60 h ARG 166 N 0.55 0.00 0.00 0.86 -0.00 -0.66 -2.13 114.38 113.00 2k60 h ARG 166 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.04 2k60 h ARG 166 Cb 0.79 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.75 2k60 h ARG 166 CO 0.06 0.04 -1.47 1.47 -0.00 0.00 0.00 179.97 180.08 2k60 n LEU 167 N -3.46 0.47 0.20 0.08 -0.00 0.28 -4.08 117.00 110.48 2k60 n LEU 167 Ca -0.02 0.18 0.14 0.00 -0.00 0.00 0.00 56.01 56.31 2k60 n LEU 167 Cb 0.16 -0.03 0.54 0.00 -0.00 0.00 0.00 43.42 44.10 2k60 n LEU 167 CO 0.26 -0.09 0.91 0.00 -0.00 0.00 0.00 177.39 178.47 2k60 h ALA 168 N 1.98 1.00 -2.61 1.47 0.00 -0.61 -3.42 119.26 117.06 2k60 h ALA 168 Ca -0.01 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 2k60 h ALA 168 Cb 1.02 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 2k60 h ALA 168 CO 0.00 0.00 -0.06 0.54 0.00 0.00 0.00 179.25 179.73 2k60 s VAL 169 N -3.44 5.09 0.00 0.00 0.11 -1.20 -4.37 120.40 116.60 2k60 s VAL 169 Ca 0.04 0.82 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 2k60 s VAL 169 Cb 0.09 -3.80 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 2k60 s VAL 169 CO 0.49 0.10 0.00 0.35 -3.33 0.00 0.00 175.10 172.71 2k60 n THR 170 N 5.15 0.00 0.00 5.04 -2.24 -1.26 -4.33 114.28 116.64 2k60 n THR 170 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2k60 n THR 170 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2k60 n THR 170 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k60 n ASN 171 N -3.04 4.91 0.13 3.42 0.23 -1.26 -4.57 115.26 115.07 2k60 n ASN 171 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.04 2k60 n ASN 171 Cb 0.00 0.51 0.23 0.00 -2.08 0.00 0.00 39.78 38.44 2k60 n ASN 171 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 2k60 h THR 172 N 0.00 1.34 -0.37 5.53 1.35 -1.92 -2.04 112.91 116.81 2k60 h THR 172 Ca 0.00 -1.67 -0.15 0.00 -0.55 0.00 0.00 66.41 64.03 2k60 h THR 172 Cb 0.94 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 2k60 h THR 172 CO 0.00 0.49 -0.38 0.74 -0.25 0.00 0.00 175.52 176.12 2k60 h THR 173 N 0.10 1.28 0.15 6.82 2.02 -1.85 -3.31 112.91 118.12 2k60 h THR 173 Ca 0.00 -1.55 -0.21 0.00 0.77 0.00 0.00 66.41 65.42 2k60 h THR 173 Cb 0.89 1.39 0.02 0.00 -1.74 0.00 0.00 68.15 68.71 2k60 h THR 173 CO 0.07 0.52 -0.92 -0.03 0.37 0.00 0.00 175.52 175.52 2k60 h MET 174 N 0.72 0.33 -6.03 6.66 1.85 -1.74 -3.45 114.93 113.26 2k60 h MET 174 Ca 0.06 -0.56 -0.59 0.00 -0.61 0.00 0.00 59.70 58.01 2k60 h MET 174 Cb 0.96 0.21 0.00 0.00 0.43 0.00 0.00 31.60 33.20 2k60 h MET 174 CO 0.09 1.27 1.46 -2.37 -0.40 0.00 0.00 176.91 176.96 2k60 n THR 175 N -4.07 0.39 0.17 -0.77 5.66 -0.78 -4.82 114.28 110.06 2k60 n THR 175 Ca -0.15 -0.41 0.04 0.00 -3.05 0.00 0.00 64.05 60.48 2k60 n THR 175 Cb 0.86 -2.49 0.26 0.00 -1.55 0.00 0.00 70.33 67.42 2k60 n THR 175 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2k60 h GLY 176 N 14.38 0.00 0.00 1.09 0.00 -1.88 -3.46 103.07 113.20 2k60 h GLY 176 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2k60 h GLY 176 CO 0.96 0.00 0.00 2.41 0.00 0.00 0.00 176.54 179.91 2k60 n THR 177 N -3.55 0.00 -3.55 4.70 -1.04 -1.26 -5.04 114.28 104.54 2k60 n THR 177 Ca -0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 2k60 n THR 177 Cb 0.56 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.95 2k60 n THR 177 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k60 s VAL 178 N 0.00 0.74 0.03 12.58 1.01 -1.26 -4.93 120.40 128.58 2k60 s VAL 178 Ca 0.00 -2.34 0.10 0.00 0.00 0.00 0.00 61.98 59.75 2k60 s VAL 178 Cb 0.00 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 2k60 s VAL 178 CO 0.00 -1.02 1.37 0.25 0.00 0.00 0.00 175.10 175.71 2k60 h LEU 179 N 6.52 0.00 -7.00 3.92 5.85 -1.95 -3.47 115.31 119.18 2k60 h LEU 179 Ca 0.09 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.94 2k60 h LEU 179 Cb 0.93 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.76 2k60 h LEU 179 CO 0.38 0.78 0.59 -0.75 -0.34 0.00 0.00 178.44 179.11 2k60 s LYS 180 N -2.88 0.60 -0.13 1.25 2.47 -1.26 -4.90 119.74 114.88 2k60 s LYS 180 Ca 0.02 -0.07 0.02 0.00 -1.56 0.00 0.00 55.97 54.38 2k60 s LYS 180 Cb 0.09 0.28 -0.24 0.00 -1.46 0.00 0.00 37.83 36.51 2k60 s LYS 180 CO 0.79 -0.23 0.31 -1.33 0.16 0.00 0.00 175.35 175.04 2k60 n MET 181 N 0.23 0.70 -2.17 4.03 2.81 -1.26 -4.78 117.12 116.68 2k60 n MET 181 Ca -0.07 0.22 -0.40 0.00 -1.81 0.00 0.00 57.70 55.64 2k60 n MET 181 Cb 0.59 -1.68 -0.03 0.00 -0.71 0.00 0.00 33.22 31.40 2k60 n MET 181 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2k60 s THR 182 N -2.56 3.52 0.23 2.03 -4.23 -1.26 -4.86 115.64 108.51 2k60 s THR 182 Ca -0.19 0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.63 2k60 s THR 182 Cb 0.07 -4.10 0.19 0.00 1.34 0.00 0.00 72.50 70.00 2k60 s THR 182 CO 0.76 -0.97 1.89 -2.24 -0.54 0.00 0.00 174.62 173.51 2k60 h ASP 183 N 13.19 0.93 -0.07 3.99 2.03 -1.99 0.14 116.42 134.65 2k60 h ASP 183 Ca -0.28 -0.02 -0.09 0.00 -0.73 0.00 0.00 57.03 55.91 2k60 h ASP 183 Cb 1.14 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 2k60 h ASP 183 CO 1.18 0.66 -0.32 0.08 -1.03 0.00 0.00 179.24 179.81 2k60 h ARG 184 N 1.10 0.35 -0.49 4.15 -0.00 -1.99 -1.40 114.38 116.11 2k60 h ARG 184 Ca 0.32 -0.28 -0.08 0.00 -0.00 0.00 0.00 59.98 59.94 2k60 h ARG 184 Cb -0.07 0.06 -0.02 0.00 -0.00 0.00 0.00 29.97 29.93 2k60 h ARG 184 CO -0.09 0.92 -0.04 0.77 -0.00 0.00 0.00 179.97 181.53 2k60 h SER 185 N -0.14 0.81 0.43 0.08 0.02 -1.91 0.15 113.55 113.00 2k60 h SER 185 Ca -0.02 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 2k60 h SER 185 Cb 0.97 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2k60 h SER 185 CO 0.07 0.90 -0.21 -0.74 -1.14 0.00 0.00 176.83 175.71 2k60 h HIS 186 N 0.77 -0.54 -0.34 3.45 -0.00 -0.70 -1.41 115.15 116.39 2k60 h HIS 186 Ca 0.14 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 2k60 h HIS 186 Cb 0.52 0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 28.09 2k60 h HIS 186 CO 0.03 -0.23 0.09 0.07 -0.00 0.00 0.00 177.93 177.88 2k60 h ARG 187 N -0.79 0.49 -0.22 5.26 0.11 -1.02 -0.94 114.38 117.27 2k60 h ARG 187 Ca -0.06 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 59.94 2k60 h ARG 187 Cb 0.54 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 2k60 h ARG 187 CO 0.10 0.45 0.12 1.96 0.10 0.00 0.00 179.97 182.70 2k60 h GLN 188 N 0.49 0.31 0.36 0.08 1.08 -0.55 0.46 115.11 117.34 2k60 h GLN 188 Ca 0.12 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 2k60 h GLN 188 Cb 0.18 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2k60 h GLN 188 CO -0.00 0.31 -0.17 0.87 -0.95 0.00 0.00 178.83 178.88 2k60 h LYS 189 N 0.24 -0.46 -0.25 1.46 1.79 -0.68 -1.22 116.57 117.45 2k60 h LYS 189 Ca 0.08 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 2k60 h LYS 189 Cb 0.09 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2k60 h LYS 189 CO -0.01 -0.25 0.04 -0.07 -1.08 0.00 0.00 179.45 178.08 2k60 h LEU 190 N -0.57 0.39 -0.59 2.94 -0.00 -1.11 -1.81 115.31 114.56 2k60 h LEU 190 Ca -0.05 -0.26 -0.12 0.00 -0.00 0.00 0.00 57.88 57.45 2k60 h LEU 190 Cb 0.42 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2k60 h LEU 190 CO 0.08 0.55 -0.21 0.06 -0.00 0.00 0.00 178.44 178.92 2k60 h GLN 191 N 0.22 0.90 0.05 1.13 3.07 -0.13 0.34 115.11 120.69 2k60 h GLN 191 Ca 0.07 -0.37 0.01 0.00 0.09 0.00 0.00 58.65 58.46 2k60 h GLN 191 Cb 0.33 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.83 2k60 h GLN 191 CO 0.00 1.02 -0.12 -0.07 0.09 0.00 0.00 178.83 179.75 2k60 h LEU 192 N 0.78 -0.33 0.07 0.06 -0.00 -1.08 0.24 115.31 115.04 2k60 h LEU 192 Ca 0.11 0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2k60 h LEU 192 Cb 0.76 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 2k60 h LEU 192 CO 0.06 -0.17 -0.03 0.11 -0.00 0.00 0.00 178.44 178.40 2k60 h LYS 193 N -0.23 -0.09 -0.32 1.13 6.56 -1.15 -1.77 116.57 120.71 2k60 h LYS 193 Ca 0.03 0.01 -0.17 0.00 -1.06 0.00 0.00 60.65 59.45 2k60 h LYS 193 Cb 0.25 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2k60 h LYS 193 CO -0.08 0.44 -0.47 0.00 -2.06 0.00 0.00 179.45 177.28 2k60 h ALA 194 N 0.15 0.56 -0.17 3.86 0.00 -0.31 -0.22 119.26 123.14 2k60 h ALA 194 Ca -0.01 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 2k60 h ALA 194 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k60 h ALA 194 CO 0.02 0.68 -0.31 1.25 0.00 0.00 0.00 179.25 180.88 2k60 h LEU 195 N 0.68 0.56 -1.61 0.00 5.85 -0.62 0.34 115.31 120.50 2k60 h LEU 195 Ca 0.04 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.22 2k60 h LEU 195 Cb 1.06 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 2k60 h LEU 195 CO 0.11 1.00 0.28 -0.78 -0.34 0.00 0.00 178.44 178.70 2k60 h ASP 196 N 0.14 0.45 0.32 1.25 3.58 -1.23 -0.63 116.42 120.30 2k60 h ASP 196 Ca 0.01 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2k60 h ASP 196 Cb 0.90 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2k60 h ASP 196 CO 0.07 0.32 -0.15 0.74 -2.88 0.00 0.00 179.24 177.34 2k60 h THR 197 N 0.53 0.57 0.00 2.25 2.02 -0.70 0.27 112.91 117.86 2k60 h THR 197 Ca 0.16 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 2k60 h THR 197 Cb -0.01 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2k60 h THR 197 CO -0.04 0.12 -0.10 -0.37 0.37 0.00 0.00 175.52 175.50 2k60 h VAL 198 N -0.89 0.67 0.08 3.16 -1.51 -0.05 -1.40 116.25 116.31 2k60 h VAL 198 Ca -0.04 -0.43 -0.20 0.00 -1.23 0.00 0.00 66.70 64.80 2k60 h VAL 198 Cb 0.52 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2k60 h VAL 198 CO 0.07 0.10 -1.00 -0.07 -1.23 0.00 0.00 177.57 175.45 2k60 h LEU 199 N 0.00 0.28 0.00 4.19 3.38 -1.15 -3.36 115.31 118.64 2k60 h LEU 199 Ca -0.00 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.12 2k60 h LEU 199 Cb 0.26 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k60 h LEU 199 CO 0.01 1.44 0.00 0.33 0.09 0.00 0.00 178.44 180.31 2k60 n PHE 200 N -4.17 -1.08 -0.56 1.13 7.35 0.58 -4.90 117.46 115.82 2k60 n PHE 200 Ca -0.21 0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2k60 n PHE 200 Cb 0.78 0.27 0.00 0.00 0.35 0.00 0.00 39.48 40.88 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41