#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 3.34 0.39 1.61 1.04 -1.26 -4.90 113.70 113.93 2k60 s SER -4 Ca 0.00 -1.18 0.18 0.00 0.48 0.00 0.00 55.95 55.43 2k60 s SER -4 Cb 0.00 -0.36 0.80 0.00 0.10 0.00 0.00 66.02 66.56 2k60 s SER -4 CO 0.00 -0.42 1.80 -0.74 0.98 0.00 0.00 173.24 174.86 2k60 h HIS -3 N 8.39 0.00 -0.10 5.02 2.76 -1.98 -3.01 115.15 126.23 2k60 h HIS -3 Ca -0.19 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.01 2k60 h HIS -3 Cb 1.04 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.99 2k60 h HIS -3 CO 0.27 0.35 0.16 0.00 -1.30 0.00 0.00 177.93 177.40 2k60 h MET -2 N 0.00 0.00 0.00 5.26 -0.00 -2.05 0.34 114.93 118.48 2k60 h MET -2 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2k60 h MET -2 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.36 2k60 h MET -2 CO 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 176.91 176.87 2k60 n ALA -1 N -2.22 2.42 -3.69 -3.00 0.00 -1.14 -4.38 120.51 108.50 2k60 n ALA -1 Ca -0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 2k60 n ALA -1 Cb 0.26 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 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 -3.96 5.48 -0.28 0.00 0.01 0.11 -4.97 113.70 110.09 2k60 s SER 0 Ca 0.11 -3.18 -0.10 0.00 1.31 0.00 0.00 55.95 54.08 2k60 s SER 0 Cb 0.15 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 2k60 s SER 0 CO 0.59 -0.30 0.17 -0.44 0.41 0.00 0.00 173.24 173.68 2k60 s SER 58 N 0.33 5.85 0.47 2.44 0.01 -1.26 -4.93 113.70 116.61 2k60 s SER 58 Ca 0.21 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2k60 s SER 58 Cb -0.15 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2k60 s SER 58 CO -0.07 -0.07 0.00 1.21 0.41 0.00 0.00 173.24 174.73 2k60 n GLU 59 N 5.04 0.00 -3.68 12.44 2.13 -1.26 -4.16 120.64 131.15 2k60 n GLU 59 Ca -0.14 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.55 2k60 n GLU 59 Cb 0.52 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.10 2k60 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k60 s ASP 60 N -4.00 0.11 -0.09 4.31 2.15 -1.26 -4.78 116.67 113.11 2k60 s ASP 60 Ca 0.00 0.61 -0.28 0.00 0.43 0.00 0.00 52.55 53.31 2k60 s ASP 60 Cb 0.00 0.65 -0.02 0.00 -0.30 0.00 0.00 42.92 43.25 2k60 s ASP 60 CO 0.00 -0.22 0.92 -1.61 -0.17 0.00 0.00 175.17 174.09 2k60 s GLU 61 N 2.06 4.43 -0.08 4.34 2.02 -1.26 -4.93 118.70 125.27 2k60 s GLU 61 Ca -0.02 1.24 -0.01 0.00 0.02 0.00 0.00 54.97 56.19 2k60 s GLU 61 Cb -0.11 -3.52 -0.26 0.00 0.10 0.00 0.00 34.13 30.34 2k60 s GLU 61 CO -0.09 -0.20 0.51 0.87 0.02 0.00 0.00 175.26 176.37 2k60 h LYS 62 N 7.04 0.20 -6.48 1.61 1.79 -2.00 -3.47 116.57 115.26 2k60 h LYS 62 Ca -0.34 -0.34 -0.48 0.00 -2.18 0.00 0.00 60.65 57.31 2k60 h LYS 62 Cb 1.17 0.13 0.01 0.00 -1.58 0.00 0.00 32.23 31.95 2k60 h LYS 62 CO 0.81 1.01 -0.21 -1.17 -1.08 0.00 0.00 179.45 178.81 2k60 s LEU 63 N -6.79 4.05 0.00 2.94 2.96 -1.26 -5.03 118.68 115.55 2k60 s LEU 63 Ca -0.16 0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 53.99 2k60 s LEU 63 Cb 0.07 -3.29 -0.25 0.00 0.50 0.00 0.00 46.19 43.22 2k60 s LEU 63 CO 0.80 -0.26 1.07 -1.28 -1.32 0.00 0.00 176.35 175.36 2k60 h SER 64 N 0.91 0.54 -0.72 3.68 0.87 -1.95 -3.28 113.55 113.59 2k60 h SER 64 Ca -0.50 -0.79 0.09 0.00 -1.23 0.00 0.00 61.79 59.37 2k60 h SER 64 Cb 1.22 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.94 2k60 h SER 64 CO 0.62 1.26 0.37 0.15 -0.53 0.00 0.00 176.83 178.70 2k60 h PHE 65 N -0.12 0.68 -0.65 2.24 3.04 -1.97 0.25 116.94 120.40 2k60 h PHE 65 Ca -0.09 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.87 2k60 h PHE 65 Cb 1.38 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.66 2k60 h PHE 65 CO 0.15 0.26 0.34 1.05 -2.02 0.00 0.00 178.31 178.09 2k60 h GLU 66 N 0.64 0.92 -0.36 1.11 4.11 -1.99 0.20 114.58 119.21 2k60 h GLU 66 Ca 0.35 -0.12 -0.06 0.00 0.07 0.00 0.00 59.36 59.61 2k60 h GLU 66 Cb 0.34 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2k60 h GLU 66 CO -0.25 0.71 0.01 0.00 0.07 0.00 0.00 179.01 179.55 2k60 h ALA 67 N 1.16 0.49 0.14 1.06 0.00 -1.33 -0.82 119.26 119.96 2k60 h ALA 67 Ca 0.23 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2k60 h ALA 67 Cb 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2k60 h ALA 67 CO -0.03 0.25 -0.30 0.28 0.00 0.00 0.00 179.25 179.44 2k60 h VAL 68 N 0.46 0.36 0.00 0.00 2.07 -0.03 -1.06 116.25 118.05 2k60 h VAL 68 Ca 0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2k60 h VAL 68 Cb 0.44 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2k60 h VAL 68 CO 0.02 0.00 -0.12 0.08 0.02 0.00 0.00 177.57 177.57 2k60 h ARG 69 N -0.53 0.00 -0.06 1.57 0.11 -0.56 -1.60 114.38 113.31 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 0.55 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.63 2k60 h ARG 69 CO -0.16 0.12 0.01 -0.97 0.10 0.00 0.00 179.97 179.07 2k60 h ASN 70 N 0.00 0.09 0.23 0.08 -0.73 0.06 0.45 115.58 115.75 2k60 h ASN 70 Ca -0.00 -0.22 -0.07 0.00 1.87 0.00 0.00 56.30 57.88 2k60 h ASN 70 Cb 0.22 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 2k60 h ASN 70 CO 0.02 0.29 -0.29 0.40 -0.37 0.00 0.00 177.43 177.47 2k60 h ILE 71 N -0.12 1.23 -0.16 2.57 5.03 -0.63 -0.76 117.51 124.68 2k60 h ILE 71 Ca 0.02 -1.10 -0.14 0.00 -0.12 0.00 0.00 64.86 63.52 2k60 h ILE 71 Cb 0.23 1.51 -0.01 0.00 -3.03 0.00 0.00 36.82 35.53 2k60 h ILE 71 CO 0.00 0.32 -0.48 0.45 -0.68 0.00 0.00 178.15 177.76 2k60 h HIS 72 N 0.09 0.49 0.00 1.37 3.86 -0.97 -2.90 115.15 117.10 2k60 h HIS 72 Ca 0.01 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 2k60 h HIS 72 Cb 0.56 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2k60 h HIS 72 CO 0.00 0.81 -0.18 1.57 0.86 0.00 0.00 177.93 181.00 2k60 h LYS 73 N 0.32 0.00 -1.00 2.45 5.09 0.13 -2.42 116.57 121.14 2k60 h LYS 73 Ca 0.02 0.00 0.28 0.00 0.09 0.00 0.00 60.65 61.03 2k60 h LYS 73 Cb 0.97 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.25 2k60 h LYS 73 CO 0.08 0.18 0.70 -0.07 -2.09 0.00 0.00 179.45 178.25 2k60 h LEU 74 N 0.00 0.12 0.02 7.07 3.38 -1.04 -1.82 115.31 123.04 2k60 h LEU 74 Ca -0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2k60 h LEU 74 Cb 0.53 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2k60 h LEU 74 CO 0.02 0.03 -0.17 0.24 0.09 0.00 0.00 178.44 178.66 2k60 h MET 75 N 0.12 0.04 -6.44 1.13 2.86 -1.60 -3.44 114.93 107.59 2k60 h MET 75 Ca 0.50 -0.06 -0.57 0.00 -2.06 0.00 0.00 59.70 57.51 2k60 h MET 75 Cb 1.76 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 33.38 2k60 h MET 75 CO -0.08 1.03 0.95 0.34 1.06 0.00 0.00 176.91 180.21 2k60 s ASP 76 N -6.34 6.68 0.24 1.22 2.15 -0.69 -3.28 116.67 116.65 2k60 s ASP 76 Ca -0.19 0.97 -0.05 0.00 0.43 0.00 0.00 52.55 53.71 2k60 s ASP 76 Cb -0.02 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.44 2k60 s ASP 76 CO 0.70 -1.12 1.80 -0.78 -0.17 0.00 0.00 175.17 175.60 2k60 h ASP 77 N 9.20 0.59 0.31 -0.34 3.58 -1.77 -1.55 116.42 126.44 2k60 h ASP 77 Ca -0.24 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2k60 h ASP 77 Cb 1.08 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2k60 h ASP 77 CO 1.06 0.33 -0.59 -0.90 -2.88 0.00 0.00 179.24 176.26 2k60 n ASP 78 N -4.79 0.79 -3.26 2.28 5.75 -1.26 -0.25 116.55 115.81 2k60 n ASP 78 Ca 0.13 -0.60 -0.22 0.00 -0.01 0.00 0.00 54.79 54.08 2k60 n ASP 78 Cb 0.28 0.44 0.02 0.00 -1.03 0.00 0.00 41.12 40.83 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 -1.30 -2.64 -0.01 2.12 0.00 -0.59 -4.94 120.51 113.16 2k60 n ALA 79 Ca 0.06 0.55 0.06 0.00 0.00 0.00 0.00 53.44 54.11 2k60 n ALA 79 Cb 0.34 -2.57 0.13 0.00 0.00 0.00 0.00 19.45 17.35 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 -0.66 2.69 0.00 0.00 6.94 -1.26 -4.94 115.26 118.03 2k60 n ASN 80 Ca -0.03 -1.86 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 2k60 n ASN 80 Cb 0.59 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 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 0.57 1.00 3.09 4.83 0.00 -1.26 -5.03 105.19 108.39 2k60 n GLY 81 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.76 -0.26 -0.12 1.61 1.47 -1.26 -1.47 116.67 114.88 2k60 s ASP 82 Ca 0.00 0.51 -0.07 0.00 1.18 0.00 0.00 52.55 54.18 2k60 s ASP 82 Cb 0.00 0.45 -0.04 0.00 -0.34 0.00 0.00 42.92 42.99 2k60 s ASP 82 CO 0.00 -0.13 0.13 0.68 0.68 0.00 0.00 175.17 176.53 2k60 s VAL 83 N 0.79 5.41 0.38 2.11 -7.23 0.83 -4.87 120.40 117.81 2k60 s VAL 83 Ca -0.05 0.17 0.08 0.00 -1.81 0.00 0.00 61.98 60.37 2k60 s VAL 83 Cb -0.07 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 2k60 s VAL 83 CO -0.05 0.61 0.18 -0.62 -0.31 0.00 0.00 175.10 174.91 2k60 s ASP 84 N -0.94 4.62 0.43 4.85 2.15 -1.26 -2.06 116.67 124.45 2k60 s ASP 84 Ca 0.14 -0.89 0.15 0.00 0.43 0.00 0.00 52.55 52.39 2k60 s ASP 84 Cb -0.12 -0.61 1.05 0.00 -0.30 0.00 0.00 42.92 42.94 2k60 s ASP 84 CO 0.04 -0.43 1.94 -0.37 -0.17 0.00 0.00 175.17 176.17 2k60 h VAL 85 N 1.45 0.82 0.01 1.11 -1.51 -1.97 -0.00 116.25 116.16 2k60 h VAL 85 Ca -0.43 -0.14 -0.21 0.00 -1.23 0.00 0.00 66.70 64.69 2k60 h VAL 85 Cb 1.25 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.77 2k60 h VAL 85 CO 0.65 0.07 -0.99 -0.33 -1.23 0.00 0.00 177.57 175.75 2k60 h GLU 86 N 0.41 0.03 0.07 5.19 5.08 -1.98 -2.68 114.58 120.69 2k60 h GLU 86 Ca 0.34 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2k60 h GLU 86 Cb 0.77 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2k60 h GLU 86 CO -0.10 0.99 -0.03 0.93 -1.00 0.00 0.00 179.01 179.79 2k60 h GLU 87 N 0.01 -0.09 -0.01 2.33 5.08 -1.43 -3.35 114.58 117.13 2k60 h GLU 87 Ca -0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k60 h GLU 87 Cb 1.72 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.99 2k60 h GLU 87 CO 0.13 0.37 -0.03 -1.13 -1.00 0.00 0.00 179.01 177.36 2k60 n SER 88 N -4.79 0.65 -0.16 1.42 3.41 -0.24 -3.86 113.62 110.04 2k60 n SER 88 Ca -0.06 -1.08 -0.05 0.00 -0.26 0.00 0.00 58.87 57.42 2k60 n SER 88 Cb 0.24 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.97 -0.92 -0.02 4.04 1.82 -1.62 0.23 116.42 120.93 2k60 h ASP 89 Ca 0.00 0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2k60 h ASP 89 Cb 0.26 0.40 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 2k60 h ASP 89 CO 0.00 -0.11 0.00 -0.08 -1.61 0.00 0.00 179.24 177.45 2k60 h GLU 90 N -0.02 0.04 0.13 0.28 4.57 -1.87 -3.19 114.58 114.51 2k60 h GLU 90 Ca 0.06 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2k60 h GLU 90 Cb 0.19 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2k60 h GLU 90 CO -0.39 0.27 -0.42 0.74 -1.18 0.00 0.00 179.01 178.04 2k60 h PHE 91 N -0.20 -1.17 -0.24 0.92 0.04 -1.57 -1.80 116.94 112.93 2k60 h PHE 91 Ca 0.01 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.82 2k60 h PHE 91 Cb 0.25 0.49 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 2k60 h PHE 91 CO 0.01 -0.52 0.13 1.25 -0.60 0.00 0.00 178.31 178.58 2k60 h LEU 92 N -0.65 0.20 0.07 1.54 5.85 -0.68 0.19 115.31 121.82 2k60 h LEU 92 Ca 0.02 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2k60 h LEU 92 Cb 0.68 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2k60 h LEU 92 CO -0.24 0.15 -0.27 0.03 -0.34 0.00 0.00 178.44 177.77 2k60 h ARG 93 N 0.27 -0.38 0.14 1.25 3.08 -1.45 -1.39 114.38 115.90 2k60 h ARG 93 Ca 0.10 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2k60 h ARG 93 Cb 0.01 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2k60 h ARG 93 CO -0.06 -0.25 -0.07 0.93 -1.07 0.00 0.00 179.97 179.45 2k60 h GLU 94 N -0.39 -0.18 -0.95 0.04 4.39 -1.31 0.85 114.58 117.02 2k60 h GLU 94 Ca -0.00 0.01 0.28 0.00 0.34 0.00 0.00 59.36 59.98 2k60 h GLU 94 Cb 0.39 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2k60 h GLU 94 CO -0.14 -0.02 0.69 -0.44 -1.16 0.00 0.00 179.01 177.94 2k60 h ASP 95 N -1.03 0.00 0.00 1.42 5.19 -0.67 -1.71 116.42 119.62 2k60 h ASP 95 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2k60 h ASP 95 Cb 0.25 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2k60 h ASP 95 CO 0.03 0.00 -0.21 0.00 -3.12 0.00 0.00 179.24 175.95 2k60 n LEU 96 N -4.25 0.00 0.01 1.55 -0.00 -0.81 -4.25 117.00 109.26 2k60 n LEU 96 Ca 0.20 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.32 2k60 n LEU 96 Cb 1.02 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.45 2k60 n LEU 96 CO 0.39 0.00 -0.01 -3.20 -0.00 0.00 0.00 177.39 174.57 2k60 n ASN 97 N -0.46 0.64 -0.05 1.45 4.05 -0.01 -4.84 115.26 116.04 2k60 n ASN 97 Ca 0.00 -0.38 -0.00 0.00 0.45 0.00 0.00 54.58 54.65 2k60 n ASN 97 Cb 0.03 0.86 -0.00 0.00 1.23 0.00 0.00 39.78 41.90 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 -1.82 -0.02 0.00 1.20 4.11 0.27 -4.26 117.16 116.64 2k60 n TYR 98 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 2k60 n TYR 98 Cb 0.41 -1.16 0.00 0.00 -0.00 0.00 0.00 39.34 38.59 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 -0.86 0.00 -3.84 -3.48 -0.00 -1.21 -4.91 115.22 100.92 2k60 n HIS 99 Ca -0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2k60 n HIS 99 Cb 0.21 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.06 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 1.61 -0.01 0.00 0.26 -4.77 -1.26 -4.73 116.67 107.77 2k60 s ASP 100 Ca 0.00 0.05 0.12 0.00 -3.30 0.00 0.00 52.55 49.42 2k60 s ASP 100 Cb 0.00 0.02 0.56 0.00 -1.09 0.00 0.00 42.92 42.41 2k60 s ASP 100 CO 0.00 -0.04 1.38 -0.81 0.70 0.00 0.00 175.17 176.40 2k60 n PRO 101 N 3.36 1.32 0.07 2.11 -0.04 -1.26 -3.89 135.00 136.66 2k60 n PRO 101 Ca -0.16 -0.48 0.05 0.00 -0.04 0.00 0.00 63.50 62.87 2k60 n PRO 101 Cb 0.57 -1.23 0.49 0.00 -0.04 0.00 0.00 33.50 33.30 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 0.88 1.07 0.61 0.52 2.02 -1.97 0.21 112.91 116.24 2k60 h THR 102 Ca 0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 2k60 h THR 102 Cb 0.20 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2k60 h THR 102 CO 0.00 0.07 -0.36 0.58 0.37 0.00 0.00 175.52 176.18 2k60 h VAL 103 N 0.39 0.26 -0.19 3.16 2.07 -1.98 0.71 116.25 120.68 2k60 h VAL 103 Ca 0.11 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.44 2k60 h VAL 103 Cb -0.04 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2k60 h VAL 103 CO -0.02 0.00 -0.66 0.11 0.02 0.00 0.00 177.57 177.02 2k60 h LYS 104 N -0.91 0.70 0.84 1.57 1.79 -1.71 0.04 116.57 118.89 2k60 h LYS 104 Ca -0.07 -0.51 -0.04 0.00 -2.18 0.00 0.00 60.65 57.85 2k60 h LYS 104 Cb 0.74 0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.48 2k60 h LYS 104 CO 0.08 1.13 -0.40 0.45 -1.08 0.00 0.00 179.45 179.63 2k60 h HIS 105 N 0.51 -1.04 0.00 -1.35 3.86 -0.58 -0.54 115.15 116.01 2k60 h HIS 105 Ca -0.02 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.12 2k60 h HIS 105 Cb 1.25 0.34 -0.01 0.00 1.06 0.00 0.00 27.41 30.06 2k60 h HIS 105 CO 0.07 -0.65 -0.22 0.77 0.86 0.00 0.00 177.93 178.76 2k60 h SER 106 N -1.14 0.00 0.09 2.45 0.02 -0.93 -0.76 113.55 113.28 2k60 h SER 106 Ca -0.11 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.59 2k60 h SER 106 Cb 0.86 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.42 2k60 h SER 106 CO 0.19 0.22 -0.95 0.74 -1.14 0.00 0.00 176.83 175.89 2k60 h THR 107 N 0.00 1.32 0.23 -2.27 2.02 -1.00 -2.51 112.91 110.69 2k60 h THR 107 Ca -0.00 -2.25 -0.01 0.00 0.77 0.00 0.00 66.41 64.92 2k60 h THR 107 Cb 1.12 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 2k60 h THR 107 CO 0.03 0.69 -0.11 0.15 0.37 0.00 0.00 175.52 176.65 2k60 h PHE 108 N 0.37 -0.29 0.10 3.16 3.57 -0.91 -3.40 116.94 119.54 2k60 h PHE 108 Ca -0.09 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 2k60 h PHE 108 Cb 1.58 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.42 2k60 h PHE 108 CO 0.08 -0.18 -0.05 1.25 -2.23 0.00 0.00 178.31 177.18 2k60 h HIS 109 N -0.93 -0.13 0.00 0.41 2.76 -1.33 -3.49 115.15 112.44 2k60 h HIS 109 Ca -0.03 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2k60 h HIS 109 Cb 0.24 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.24 2k60 h HIS 109 CO 0.01 0.28 0.00 0.41 -1.30 0.00 0.00 177.93 177.32 2k60 n GLY 110 N 1.14 2.22 0.05 5.26 0.00 -0.95 -4.63 105.19 108.29 2k60 n GLY 110 Ca -0.06 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 0.62 -2.75 1.61 2.13 -1.26 -4.58 120.64 116.41 2k60 n GLU 111 Ca 0.00 -0.08 -0.09 0.00 0.66 0.00 0.00 57.16 57.65 2k60 n GLU 111 Cb 0.00 -1.63 -0.02 0.00 0.27 0.00 0.00 31.44 30.06 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 -2.39 2.38 0.00 4.31 -0.08 -1.26 -5.07 116.55 114.43 2k60 n ASP 112 Ca -0.02 -1.64 0.00 0.00 -1.51 0.00 0.00 54.79 51.62 2k60 n ASP 112 Cb 0.56 0.10 0.00 0.00 2.34 0.00 0.00 41.12 44.12 2k60 n ASP 112 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2k60 n LYS 113 N -0.38 0.77 -2.36 -0.67 4.76 -1.26 -4.30 118.16 114.71 2k60 n LYS 113 Ca -0.06 -0.72 -0.42 0.00 -2.87 0.00 0.00 58.31 54.24 2k60 n LYS 113 Cb 0.18 -0.68 -0.03 0.00 -1.84 0.00 0.00 35.03 32.67 2k60 n LYS 113 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k60 s LEU 114 N -0.28 4.31 -0.30 -0.35 1.43 -1.26 -4.62 118.68 117.60 2k60 s LEU 114 Ca 0.00 1.96 -0.08 0.00 -1.03 0.00 0.00 54.13 54.98 2k60 s LEU 114 Cb 0.00 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.66 2k60 s LEU 114 CO 0.00 -0.62 0.11 -0.63 0.23 0.00 0.00 176.35 175.44 2k60 s ILE 115 N 2.09 4.19 0.00 -0.59 -1.09 -0.87 -4.54 121.20 120.39 2k60 s ILE 115 Ca 0.59 -0.62 0.06 0.00 -2.23 0.00 0.00 60.65 58.45 2k60 s ILE 115 Cb -0.28 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.42 2k60 s ILE 115 CO 0.25 0.06 -0.19 -0.55 -1.23 0.00 0.00 174.94 173.27 2k60 s SER 116 N 1.54 2.30 0.28 3.58 0.15 -1.26 -0.12 113.70 120.16 2k60 s SER 116 Ca 0.03 -0.39 -0.02 0.00 0.70 0.00 0.00 55.95 56.27 2k60 s SER 116 Cb -0.17 -0.24 0.38 0.00 -1.71 0.00 0.00 66.02 64.29 2k60 s SER 116 CO 0.04 0.21 1.86 -0.37 1.20 0.00 0.00 173.24 176.18 2k60 h VAL 117 N 4.58 1.22 -0.34 4.45 -1.51 -1.64 -0.98 116.25 122.04 2k60 h VAL 117 Ca -0.39 -0.70 -0.08 0.00 -1.23 0.00 0.00 66.70 64.30 2k60 h VAL 117 Cb 1.15 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 2k60 h VAL 117 CO 0.47 0.28 -0.10 1.05 -1.23 0.00 0.00 177.57 178.04 2k60 h GLU 118 N 0.92 0.66 0.00 5.19 -0.00 -1.96 0.81 114.58 120.20 2k60 h GLU 118 Ca 0.22 -0.26 -0.07 0.00 -0.00 0.00 0.00 59.36 59.24 2k60 h GLU 118 Cb 0.18 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 28.88 2k60 h GLU 118 CO -0.02 0.84 -0.33 0.22 -0.00 0.00 0.00 179.01 179.72 2k60 h ASP 119 N 0.44 0.00 -0.14 3.06 3.58 -1.89 -1.38 116.42 120.10 2k60 h ASP 119 Ca 0.08 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.37 2k60 h ASP 119 Cb 0.61 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 2k60 h ASP 119 CO 0.04 0.33 -0.50 -0.07 -2.88 0.00 0.00 179.24 176.16 2k60 h LEU 120 N 0.00 0.78 -0.40 2.28 3.38 -1.01 0.27 115.31 120.60 2k60 h LEU 120 Ca -0.00 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.62 2k60 h LEU 120 Cb 1.15 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 2k60 h LEU 120 CO 0.04 1.14 0.13 -0.25 0.09 0.00 0.00 178.44 179.59 2k60 h TRP 121 N 0.56 0.23 0.01 1.13 7.01 -0.22 0.59 115.95 125.27 2k60 h TRP 121 Ca 0.02 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.06 2k60 h TRP 121 Cb 1.07 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 28.06 2k60 h TRP 121 CO 0.05 0.08 -0.09 0.87 -2.79 0.00 0.00 178.44 176.56 2k60 h LYS 122 N 0.28 -0.16 0.03 2.65 6.56 -0.98 -1.62 116.57 123.33 2k60 h LYS 122 Ca 0.19 0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.80 2k60 h LYS 122 Cb 0.18 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.86 2k60 h LYS 122 CO -0.20 -0.11 -0.11 0.00 -2.06 0.00 0.00 179.45 176.97 2k60 h ALA 123 N 0.80 -0.15 -0.39 3.86 0.00 0.09 -1.13 119.26 122.34 2k60 h ALA 123 Ca 0.03 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2k60 h ALA 123 Cb 0.20 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2k60 h ALA 123 CO -0.08 -0.61 0.09 2.35 0.00 0.00 0.00 179.25 181.00 2k60 h TRP 124 N -0.20 0.16 0.00 0.00 7.01 0.23 0.56 115.95 123.70 2k60 h TRP 124 Ca 0.03 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 2k60 h TRP 124 Cb 0.24 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 2k60 h TRP 124 CO -0.16 0.04 -0.18 0.87 -2.79 0.00 0.00 178.44 176.21 2k60 h LYS 125 N 0.23 0.00 0.00 2.65 1.57 -1.05 -2.18 116.57 117.79 2k60 h LYS 125 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2k60 h LYS 125 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2k60 h LYS 125 CO -0.23 0.18 -0.79 0.45 -0.57 0.00 0.00 179.45 178.50 2k60 n SER 126 N -3.88 0.64 -4.85 0.86 2.88 -0.19 -4.80 113.62 104.27 2k60 n SER 126 Ca -0.02 -0.07 -0.26 0.00 -1.33 0.00 0.00 58.87 57.19 2k60 n SER 126 Cb 0.28 0.45 0.08 0.00 -0.75 0.00 0.00 64.21 64.26 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 -3.95 4.67 0.49 -3.46 0.01 0.18 -4.96 113.70 106.68 2k60 s SER 127 Ca 0.06 0.36 0.28 0.00 1.31 0.00 0.00 55.95 57.96 2k60 s SER 127 Cb 0.14 -0.96 1.03 0.00 0.21 0.00 0.00 66.02 66.44 2k60 s SER 127 CO 0.75 -1.68 1.86 -0.33 0.41 0.00 0.00 173.24 174.25 2k60 h GLU 128 N -0.65 0.00 -0.03 12.44 5.08 -1.88 -3.31 114.58 126.23 2k60 h GLU 128 Ca -0.44 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2k60 h GLU 128 Cb 1.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 2k60 h GLU 128 CO 0.57 0.09 -0.54 0.28 -1.00 0.00 0.00 179.01 178.41 2k60 h VAL 129 N 0.00 0.00 0.00 3.13 2.07 -1.90 0.14 116.25 119.69 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 0.69 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 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 -0.65 0.00 0.00 1.57 3.20 -1.62 -1.18 116.97 118.29 2k60 h TYR 130 Ca 0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2k60 h TYR 130 Cb 0.71 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2k60 h TYR 130 CO -0.54 0.06 -0.51 0.09 -1.64 0.00 0.00 178.16 175.62 2k60 n ASN 131 N -3.39 0.51 -4.68 -2.11 4.13 -0.42 -4.51 115.26 104.79 2k60 n ASN 131 Ca -0.02 -0.11 -0.42 0.00 1.68 0.00 0.00 54.58 55.71 2k60 n ASN 131 Cb 0.20 0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.61 2k60 n ASN 131 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2k60 s TRP 132 N -3.04 2.90 0.76 3.10 0.51 -0.10 -4.94 118.94 118.12 2k60 s TRP 132 Ca 0.10 0.91 -0.12 0.00 -2.12 0.00 0.00 56.10 54.87 2k60 s TRP 132 Cb 0.17 -3.59 0.17 0.00 -0.81 0.00 0.00 33.47 29.40 2k60 s TRP 132 CO 0.70 -2.13 1.03 -2.37 -0.51 0.00 0.00 176.95 173.66 2k60 n THR 133 N 4.77 0.00 -0.04 2.01 5.66 -1.26 -0.47 114.28 124.94 2k60 n THR 133 Ca 0.13 -0.81 -0.09 0.00 -3.05 0.00 0.00 64.05 60.23 2k60 n THR 133 Cb 0.44 -1.57 -0.03 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 -1.53 0.97 -0.98 1.08 2.07 -1.95 -1.69 116.25 114.23 2k60 h VAL 134 Ca -0.33 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.22 2k60 h VAL 134 Cb 0.93 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 2k60 h VAL 134 CO 0.24 0.03 0.62 -0.78 0.02 0.00 0.00 177.57 177.71 2k60 h ASP 135 N 0.19 0.94 -0.01 0.57 3.58 -1.94 0.14 116.42 119.89 2k60 h ASP 135 Ca 0.09 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2k60 h ASP 135 Cb 0.04 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 2k60 h ASP 135 CO -0.07 0.54 0.00 -0.33 -2.88 0.00 0.00 179.24 176.50 2k60 h GLU 136 N 1.03 0.01 -0.24 0.28 4.39 -1.78 -1.27 114.58 117.01 2k60 h GLU 136 Ca 0.46 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 60.06 2k60 h GLU 136 Cb 0.36 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2k60 h GLU 136 CO -0.23 0.30 -0.27 -0.24 -1.16 0.00 0.00 179.01 177.40 2k60 h VAL 137 N -0.27 1.27 0.05 3.13 3.04 -0.85 -0.53 116.25 122.10 2k60 h VAL 137 Ca 0.00 -1.30 0.01 0.00 -1.01 0.00 0.00 66.70 64.41 2k60 h VAL 137 Cb 0.29 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 30.94 2k60 h VAL 137 CO 0.00 0.41 -0.10 0.58 -1.01 0.00 0.00 177.57 177.45 2k60 h VAL 138 N 0.40 0.77 0.00 1.51 2.07 -0.60 0.55 116.25 120.96 2k60 h VAL 138 Ca 0.06 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.47 2k60 h VAL 138 Cb 0.69 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2k60 h VAL 138 CO 0.05 0.00 -0.53 0.06 0.02 0.00 0.00 177.57 177.18 2k60 h GLN 139 N -0.19 0.00 -0.07 1.57 3.07 -1.02 -1.59 115.11 116.88 2k60 h GLN 139 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.73 2k60 h GLN 139 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 2k60 h GLN 139 CO -0.06 0.53 -0.07 2.35 0.09 0.00 0.00 178.83 181.67 2k60 h TRP 140 N 0.00 0.20 -0.82 0.06 2.91 -0.66 -0.15 115.95 117.47 2k60 h TRP 140 Ca -0.01 -0.06 -0.03 0.00 1.13 0.00 0.00 58.89 59.93 2k60 h TRP 140 Cb 0.96 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 29.53 2k60 h TRP 140 CO 0.00 0.61 0.41 1.37 -1.03 0.00 0.00 178.44 179.80 2k60 h LEU 141 N -0.28 1.06 -0.10 0.65 8.10 0.33 0.16 115.31 125.23 2k60 h LEU 141 Ca 0.01 -0.12 -0.10 0.00 0.11 0.00 0.00 57.88 57.78 2k60 h LEU 141 Cb 0.58 -0.27 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 2k60 h LEU 141 CO 0.02 0.89 -0.32 0.16 -4.11 0.00 0.00 178.44 175.07 2k60 h ILE 142 N 1.17 1.39 0.00 0.15 3.07 -1.26 0.34 117.51 122.37 2k60 h ILE 142 Ca 0.29 -1.65 0.00 0.00 1.55 0.00 0.00 64.86 65.04 2k60 h ILE 142 Cb 0.10 2.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 2k60 h ILE 142 CO -0.04 0.48 0.00 1.07 -1.05 0.00 0.00 178.15 178.62 2k60 n THR 143 N -4.40 0.71 -0.05 0.16 5.66 -0.08 -0.95 114.28 115.34 2k60 n THR 143 Ca -0.08 0.06 -0.10 0.00 -3.05 0.00 0.00 64.05 60.89 2k60 n THR 143 Cb 0.49 -0.92 -0.04 0.00 -1.55 0.00 0.00 70.33 68.32 2k60 n THR 143 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2k60 n TYR 144 N -2.10 0.00 0.02 1.09 4.01 0.50 -4.77 117.16 115.91 2k60 n TYR 144 Ca 0.04 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.84 2k60 n TYR 144 Cb 0.29 -0.37 -0.10 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 n VAL 145 N -3.22 0.62 -2.94 -0.72 0.31 0.11 -4.96 118.33 107.53 2k60 n VAL 145 Ca -0.19 -0.60 -0.12 0.00 -0.01 0.00 0.00 64.34 63.41 2k60 n VAL 145 Cb 0.66 -0.32 0.03 0.00 -0.91 0.00 0.00 33.84 33.30 2k60 n VAL 145 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k60 n GLU 146 N -2.58 -3.65 -3.43 5.55 -0.58 -0.12 -4.98 120.64 110.85 2k60 n GLU 146 Ca -0.08 0.45 -0.43 0.00 -0.42 0.00 0.00 57.16 56.67 2k60 n GLU 146 Cb 0.70 -4.32 -0.07 0.00 -0.57 0.00 0.00 31.44 27.19 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 -4.10 5.91 0.00 -4.62 2.01 -1.25 -4.95 118.68 111.68 2k60 s LEU 147 Ca 0.26 -1.81 0.02 0.00 0.01 0.00 0.00 54.13 52.61 2k60 s LEU 147 Cb -0.11 -2.11 0.11 0.00 0.01 0.00 0.00 46.19 44.08 2k60 s LEU 147 CO 0.32 -0.76 1.01 -0.81 1.01 0.00 0.00 176.35 177.11 2k60 n PRO 148 N 5.09 0.93 -0.29 1.29 -0.05 -1.26 -3.37 135.00 137.33 2k60 n PRO 148 Ca -0.11 0.00 0.04 0.00 -0.05 0.00 0.00 63.50 63.38 2k60 n PRO 148 Cb 0.41 -1.03 0.17 0.00 -0.05 0.00 0.00 33.50 32.99 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 -0.53 2.30 -0.32 0.54 -0.06 -1.26 -4.43 117.38 113.61 2k60 n GLN 149 Ca 0.01 -1.31 0.03 0.00 -2.00 0.00 0.00 57.00 53.74 2k60 n GLN 149 Cb 0.01 -1.57 0.18 0.00 -4.06 0.00 0.00 30.24 24.79 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 1.85 0.98 0.23 3.69 -0.00 -1.94 -0.68 116.97 121.10 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 0.83 -0.31 0.00 0.00 -0.00 0.00 0.00 36.73 37.26 2k60 h TYR 150 CO 0.37 0.43 -0.11 1.49 -0.00 0.00 0.00 178.16 180.34 2k60 h GLU 151 N 0.91 -0.30 -0.04 0.10 4.81 -1.92 0.15 114.58 118.29 2k60 h GLU 151 Ca 0.42 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.68 2k60 h GLU 151 Cb 0.32 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2k60 h GLU 151 CO -0.23 -0.15 -0.04 0.93 -0.73 0.00 0.00 179.01 178.79 2k60 h GLU 152 N -0.38 -0.06 -0.40 1.92 4.39 -1.78 -1.28 114.58 117.00 2k60 h GLU 152 Ca -0.03 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 2k60 h GLU 152 Cb 0.29 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2k60 h GLU 152 CO 0.05 -0.04 -0.33 0.00 -1.16 0.00 0.00 179.01 177.53 2k60 h THR 153 N -0.06 1.27 -0.43 1.13 1.03 -0.98 -0.01 112.91 114.86 2k60 h THR 153 Ca 0.03 -1.50 -0.10 0.00 -0.01 0.00 0.00 66.41 64.83 2k60 h THR 153 Cb 0.10 1.32 -0.02 0.00 -1.07 0.00 0.00 68.15 68.48 2k60 h THR 153 CO -0.07 0.50 -0.14 2.19 -0.01 0.00 0.00 175.52 177.99 2k60 h PHE 154 N 0.75 0.89 0.00 0.00 -5.15 -0.53 0.97 116.94 113.88 2k60 h PHE 154 Ca 0.07 -0.18 -0.11 0.00 -0.20 0.00 0.00 57.97 57.56 2k60 h PHE 154 Cb 0.91 -0.22 -0.02 0.00 0.22 0.00 0.00 35.95 36.84 2k60 h PHE 154 CO 0.06 0.89 -0.52 0.07 -2.00 0.00 0.00 178.31 176.81 2k60 h ARG 155 N 0.72 0.00 0.00 6.09 0.11 -0.98 0.17 114.38 120.48 2k60 h ARG 155 Ca 0.11 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.19 2k60 h ARG 155 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2k60 h ARG 155 CO 0.04 0.52 -0.00 0.87 0.10 0.00 0.00 179.97 181.50 2k60 h LYS 156 N 0.00 -0.00 0.00 0.08 1.79 -0.35 -3.41 116.57 114.68 2k60 h LYS 156 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k60 h LYS 156 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2k60 h LYS 156 CO 0.07 0.87 -0.53 1.47 -1.08 0.00 0.00 179.45 180.25 2k60 n LEU 157 N -4.66 0.12 -2.69 2.94 -0.00 0.28 -5.08 117.00 107.91 2k60 n LEU 157 Ca -0.09 -0.33 -0.01 0.00 -0.00 0.00 0.00 56.01 55.58 2k60 n LEU 157 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.84 2k60 n LEU 157 CO 0.33 0.03 -0.53 0.00 -0.00 0.00 0.00 177.39 177.22 2k60 n GLN 158 N -1.28 -3.69 -3.70 1.47 6.02 0.58 -5.01 117.38 111.76 2k60 n GLN 158 Ca 0.00 2.91 -0.31 0.00 -0.01 0.00 0.00 57.00 59.59 2k60 n GLN 158 Cb 0.08 -5.32 -0.04 0.00 1.02 0.00 0.00 30.24 25.97 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 -1.46 4.27 0.00 1.08 2.34 -1.26 -4.89 118.68 118.76 2k60 s LEU 159 Ca -0.05 0.54 0.00 0.00 0.06 0.00 0.00 54.13 54.68 2k60 s LEU 159 Cb 0.00 -3.26 0.00 0.00 -0.56 0.00 0.00 46.19 42.37 2k60 s LEU 159 CO 0.78 0.06 0.00 -1.54 -1.06 0.00 0.00 176.35 174.59 2k60 n SER 160 N 0.04 0.00 -0.22 1.48 3.41 -1.26 -3.80 113.62 113.27 2k60 n SER 160 Ca -0.03 0.00 0.26 0.00 -0.26 0.00 0.00 58.87 58.84 2k60 n SER 160 Cb 0.52 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 65.12 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 0.36 1.05 5.00 0.00 -0.88 0.28 103.07 108.87 2k60 h GLY 161 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 2k60 h GLY 161 CO 0.00 -0.02 -1.22 1.12 0.00 0.00 0.00 176.54 176.42 2k60 h HIS 162 N 0.15 0.00 0.00 5.60 -0.00 -1.83 -3.31 115.15 115.75 2k60 h HIS 162 Ca 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.79 2k60 h HIS 162 Cb 1.60 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.00 2k60 h HIS 162 CO -0.00 0.37 -0.25 0.00 -0.00 0.00 0.00 177.93 178.06 2k60 h ALA 163 N 1.63 0.84 0.05 6.11 0.00 -1.05 -2.12 119.26 124.72 2k60 h ALA 163 Ca -0.10 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2k60 h ALA 163 Cb 1.37 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 2k60 h ALA 163 CO 0.03 0.31 -0.30 0.52 0.00 0.00 0.00 179.25 179.81 2k60 h MET 164 N 0.00 -0.47 -0.24 0.00 0.00 -0.70 0.40 114.93 113.92 2k60 h MET 164 Ca -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 59.70 59.66 2k60 h MET 164 Cb 1.17 0.11 -0.01 0.00 0.00 0.00 0.00 31.60 32.87 2k60 h MET 164 CO 0.03 -0.31 -0.11 -1.00 0.00 0.00 0.00 176.91 175.52 2k60 h PRO 165 N -0.48 0.50 -1.01 -0.22 0.13 -1.74 -3.01 132.00 126.17 2k60 h PRO 165 Ca 0.05 -0.22 0.23 0.00 -0.87 0.00 0.00 66.00 65.19 2k60 h PRO 165 Cb 0.54 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 31.54 2k60 h PRO 165 CO -0.22 0.76 0.60 -0.09 -0.23 0.00 0.00 178.00 178.83 2k60 h ARG 166 N 0.23 0.61 0.00 0.86 2.43 -0.98 -0.01 114.38 117.51 2k60 h ARG 166 Ca 0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2k60 h ARG 166 Cb 0.61 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2k60 h ARG 166 CO 0.03 0.40 -0.26 1.37 -1.51 0.00 0.00 179.97 180.01 2k60 h LEU 167 N 0.63 0.00 0.00 3.80 8.10 -0.19 -3.27 115.31 124.37 2k60 h LEU 167 Ca 0.62 -0.05 0.00 0.00 0.11 0.00 0.00 57.88 58.57 2k60 h LEU 167 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.36 2k60 h LEU 167 CO -0.44 0.02 0.00 0.00 -4.11 0.00 0.00 178.44 173.92 2k60 n ALA 168 N -1.94 2.24 -2.74 0.17 0.00 -0.02 -4.57 120.51 113.67 2k60 n ALA 168 Ca 0.04 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 2k60 n ALA 168 Cb 0.48 -1.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.35 2.05 0.00 0.00 0.11 -1.23 -4.23 120.40 114.74 2k60 s VAL 169 Ca 0.27 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2k60 s VAL 169 Cb 0.16 -1.73 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 2k60 s VAL 169 CO 0.32 0.57 0.00 0.35 -3.33 0.00 0.00 175.10 173.00 2k60 n THR 170 N 2.95 0.00 0.00 5.04 -2.24 -1.26 -4.47 114.28 114.29 2k60 n THR 170 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2k60 n THR 170 Cb 0.52 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.46 0.00 -0.10 3.42 6.94 -1.26 -4.36 115.26 120.36 2k60 n ASN 171 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.67 2k60 n ASN 171 Cb 0.28 0.00 0.48 0.00 -2.36 0.00 0.00 39.78 38.18 2k60 n ASN 171 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2k60 h THR 172 N 0.00 0.91 -0.77 5.53 2.02 -1.89 0.67 112.91 119.38 2k60 h THR 172 Ca 0.00 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 66.97 2k60 h THR 172 Cb 0.00 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 2k60 h THR 172 CO 0.00 0.08 0.29 0.74 0.37 0.00 0.00 175.52 177.00 2k60 h THR 173 N 0.46 1.26 0.09 3.16 2.02 -1.78 -3.20 112.91 114.92 2k60 h THR 173 Ca 0.28 -0.84 -0.13 0.00 0.77 0.00 0.00 66.41 66.50 2k60 h THR 173 Cb 0.50 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2k60 h THR 173 CO -0.08 0.34 -0.55 -0.03 0.37 0.00 0.00 175.52 175.56 2k60 h MET 174 N 1.12 0.20 -5.70 6.66 -1.53 -1.41 -3.42 114.93 110.86 2k60 h MET 174 Ca 0.25 -0.34 -0.51 0.00 -3.44 0.00 0.00 59.70 55.67 2k60 h MET 174 Cb 0.24 0.13 -0.06 0.00 -0.55 0.00 0.00 31.60 31.35 2k60 h MET 174 CO -0.02 1.16 1.63 -0.08 0.14 0.00 0.00 176.91 179.75 2k60 s THR 175 N -2.36 3.84 -0.48 -0.77 -1.32 0.08 -4.63 115.64 110.01 2k60 s THR 175 Ca -0.16 -1.38 0.03 0.00 -1.21 0.00 0.00 61.69 58.97 2k60 s THR 175 Cb -0.00 -4.88 0.47 0.00 -1.51 0.00 0.00 72.50 66.57 2k60 s THR 175 CO 0.78 -1.54 1.65 0.61 -2.21 0.00 0.00 174.62 173.92 2k60 n GLY 176 N 5.69 5.93 3.82 6.08 0.00 -1.26 -4.86 105.19 120.58 2k60 n GLY 176 Ca 0.46 -2.29 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 2k60 n GLY 176 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k60 s THR 177 N -4.52 0.00 0.00 2.61 2.01 -1.26 -4.97 115.64 109.51 2k60 s THR 177 Ca 0.57 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 2k60 s THR 177 Cb 0.46 -2.84 -0.21 0.00 0.01 0.00 0.00 72.50 69.92 2k60 s THR 177 CO 0.01 0.00 3.24 0.55 -0.69 0.00 0.00 174.62 177.74 2k60 n VAL 178 N -0.54 2.75 0.12 3.82 3.14 -1.26 -4.61 118.33 121.75 2k60 n VAL 178 Ca -0.08 -1.27 -0.14 0.00 -2.96 0.00 0.00 64.34 59.90 2k60 n VAL 178 Cb 0.60 -1.89 -0.08 0.00 -1.06 0.00 0.00 33.84 31.41 2k60 n VAL 178 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2k60 h LEU 179 N 4.59 -0.22 -7.04 6.55 5.85 -1.95 -3.45 115.31 119.65 2k60 h LEU 179 Ca 0.15 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2k60 h LEU 179 Cb 1.39 0.06 -0.21 0.00 0.37 0.00 0.00 40.66 42.27 2k60 h LEU 179 CO 0.18 -0.08 0.11 -0.75 -0.34 0.00 0.00 178.44 177.57 2k60 s LYS 180 N -5.78 0.87 -0.11 1.25 2.47 -1.26 -4.88 119.74 112.30 2k60 s LYS 180 Ca -0.15 0.73 -0.25 0.00 -1.56 0.00 0.00 55.97 54.75 2k60 s LYS 180 Cb 0.04 0.42 -0.28 0.00 -1.46 0.00 0.00 37.83 36.55 2k60 s LYS 180 CO 0.64 -0.16 0.78 1.98 0.16 0.00 0.00 175.35 178.75 2k60 h MET 181 N 4.46 0.13 -6.35 4.03 1.85 -1.98 -3.45 114.93 113.63 2k60 h MET 181 Ca -0.28 -0.23 -0.57 0.00 -0.61 0.00 0.00 59.70 58.01 2k60 h MET 181 Cb 1.16 0.08 -0.04 0.00 0.43 0.00 0.00 31.60 33.23 2k60 h MET 181 CO 0.17 1.11 1.15 0.95 -0.40 0.00 0.00 176.91 179.89 2k60 s THR 182 N -2.32 3.71 0.10 -0.77 -4.23 -1.26 -4.91 115.64 105.96 2k60 s THR 182 Ca -0.17 0.76 -0.29 0.00 -1.18 0.00 0.00 61.69 60.80 2k60 s THR 182 Cb -0.01 -3.85 -0.11 0.00 1.34 0.00 0.00 72.50 69.87 2k60 s THR 182 CO 0.74 -0.47 1.63 0.44 -0.54 0.00 0.00 174.62 176.42 2k60 h ASP 183 N 11.32 -0.81 0.03 3.99 5.19 -1.99 -0.24 116.42 133.92 2k60 h ASP 183 Ca -0.31 0.08 -0.19 0.00 -0.62 0.00 0.00 57.03 55.99 2k60 h ASP 183 Cb 1.14 0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.94 2k60 h ASP 183 CO 1.04 -0.41 -0.67 0.08 -3.12 0.00 0.00 179.24 176.15 2k60 h ARG 184 N -0.59 0.60 -0.52 3.56 -0.00 -1.97 -0.51 114.38 114.96 2k60 h ARG 184 Ca 0.00 -0.44 -0.10 0.00 -0.00 0.00 0.00 59.98 59.44 2k60 h ARG 184 Cb 0.56 0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 30.59 2k60 h ARG 184 CO -0.09 1.06 -0.06 0.77 -0.00 0.00 0.00 179.97 181.65 2k60 h SER 185 N 0.43 0.91 0.43 0.08 0.02 -1.96 0.19 113.55 113.65 2k60 h SER 185 Ca -0.02 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 2k60 h SER 185 Cb 1.26 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2k60 h SER 185 CO 0.13 1.00 -0.21 -0.74 -1.14 0.00 0.00 176.83 175.88 2k60 h HIS 186 N 0.84 -0.53 -0.23 3.45 -0.00 -0.75 -1.35 115.15 116.57 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 0.58 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.16 2k60 h HIS 186 CO 0.04 -0.24 -0.01 0.07 -0.00 0.00 0.00 177.93 177.79 2k60 h ARG 187 N -0.76 0.35 0.66 5.26 0.11 -0.93 -1.09 114.38 117.98 2k60 h ARG 187 Ca -0.06 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 59.93 2k60 h ARG 187 Cb 0.53 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.56 2k60 h ARG 187 CO 0.10 0.38 -0.32 1.96 0.10 0.00 0.00 179.97 182.19 2k60 h GLN 188 N 0.34 -0.86 -0.48 0.08 1.08 -0.42 0.26 115.11 115.11 2k60 h GLN 188 Ca 0.08 0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 57.21 2k60 h GLN 188 Cb 0.24 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2k60 h GLN 188 CO 0.01 -0.55 -0.20 0.87 -0.95 0.00 0.00 178.83 178.01 2k60 h LYS 189 N -0.95 0.98 -0.53 1.46 6.56 -0.99 0.15 116.57 123.25 2k60 h LYS 189 Ca -0.09 -0.41 -0.08 0.00 -1.06 0.00 0.00 60.65 59.01 2k60 h LYS 189 Cb 0.70 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.30 2k60 h LYS 189 CO 0.15 1.09 0.03 -0.07 -2.06 0.00 0.00 179.45 178.59 2k60 h LEU 190 N 0.83 0.89 -0.25 2.94 -0.00 -1.24 -1.82 115.31 116.67 2k60 h LEU 190 Ca 0.11 -0.29 -0.05 0.00 -0.00 0.00 0.00 57.88 57.65 2k60 h LEU 190 Cb 0.77 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2k60 h LEU 190 CO 0.06 0.96 -0.03 0.06 -0.00 0.00 0.00 178.44 179.50 2k60 h GLN 191 N 0.80 0.46 -0.14 1.13 3.07 -0.17 0.11 115.11 120.37 2k60 h GLN 191 Ca 0.15 -0.16 0.04 0.00 0.09 0.00 0.00 58.65 58.77 2k60 h GLN 191 Cb 0.49 -0.03 -0.05 0.00 0.08 0.00 0.00 27.48 27.96 2k60 h GLN 191 CO 0.02 0.66 -0.14 -0.07 0.09 0.00 0.00 178.83 179.39 2k60 h LEU 192 N 0.22 -0.44 0.02 0.06 4.07 -0.81 0.37 115.31 118.81 2k60 h LEU 192 Ca 0.07 0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 2k60 h LEU 192 Cb 0.47 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2k60 h LEU 192 CO 0.02 -0.18 -0.01 0.11 -1.08 0.00 0.00 178.44 177.29 2k60 h LYS 193 N -0.17 -0.03 -0.36 1.13 6.56 -1.29 -1.75 116.57 120.66 2k60 h LYS 193 Ca 0.09 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.65 2k60 h LYS 193 Cb 0.31 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 2k60 h LYS 193 CO -0.24 0.66 0.06 0.00 -2.06 0.00 0.00 179.45 177.88 2k60 h ALA 194 N 0.11 0.47 -0.28 3.86 0.00 -0.74 -0.09 119.26 122.60 2k60 h ALA 194 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2k60 h ALA 194 Cb 0.71 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2k60 h ALA 194 CO 0.01 0.17 -0.15 1.25 0.00 0.00 0.00 179.25 180.53 2k60 h LEU 195 N 0.43 0.62 -1.84 0.00 5.85 -0.38 0.31 115.31 120.31 2k60 h LEU 195 Ca 0.11 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 2k60 h LEU 195 Cb 0.35 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2k60 h LEU 195 CO 0.01 0.90 -0.12 -0.78 -0.34 0.00 0.00 178.44 178.10 2k60 h ASP 196 N 0.34 0.00 -0.01 1.25 3.58 -1.22 -0.53 116.42 119.83 2k60 h ASP 196 Ca 0.06 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2k60 h ASP 196 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2k60 h ASP 196 CO 0.04 0.12 -0.05 0.74 -2.88 0.00 0.00 179.24 177.21 2k60 h THR 197 N 0.00 1.56 0.00 2.25 2.02 -0.45 0.31 112.91 118.60 2k60 h THR 197 Ca -0.00 -1.73 -0.04 0.00 0.77 0.00 0.00 66.41 65.41 2k60 h THR 197 Cb 0.24 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 2k60 h THR 197 CO 0.02 0.46 -0.18 -0.37 0.37 0.00 0.00 175.52 175.81 2k60 h VAL 198 N -0.65 0.83 0.00 3.16 -1.51 0.00 -0.94 116.25 117.14 2k60 h VAL 198 Ca -0.01 -0.71 -0.21 0.00 -1.23 0.00 0.00 66.70 64.55 2k60 h VAL 198 Cb 0.77 1.42 -0.03 0.00 -2.13 0.00 0.00 31.29 31.32 2k60 h VAL 198 CO 0.01 0.18 -1.17 -0.07 -1.23 0.00 0.00 177.57 175.29 2k60 h LEU 199 N 0.00 0.00 0.00 4.19 3.38 -1.17 -3.40 115.31 118.31 2k60 h LEU 199 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k60 h LEU 199 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2k60 h LEU 199 CO 0.02 1.42 -0.07 0.33 0.09 0.00 0.00 178.44 180.24 2k60 n PHE 200 N -4.45 0.00 -0.40 1.13 -0.00 0.92 -4.92 117.46 109.74 2k60 n PHE 200 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.15 2k60 n PHE 200 Cb 0.64 -0.03 0.00 0.00 -0.00 0.00 0.00 39.48 40.09 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17