#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 3.37 0.20 1.61 0.01 -0.94 -4.96 113.70 113.00 2k60 s SER -4 Ca 0.00 0.88 0.03 0.00 1.31 0.00 0.00 55.95 58.17 2k60 s SER -4 Cb 0.00 -1.39 0.13 0.00 0.21 0.00 0.00 66.02 64.97 2k60 s SER -4 CO 0.00 -2.63 1.47 1.12 0.41 0.00 0.00 173.24 173.61 2k60 h HIS -3 N -1.55 0.30 0.00 2.43 -0.00 -1.96 -2.90 115.15 111.47 2k60 h HIS -3 Ca -0.49 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 59.74 2k60 h HIS -3 Cb 1.32 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 2k60 h HIS -3 CO 0.03 0.87 0.00 0.00 -0.00 0.00 0.00 177.93 178.83 2k60 n MET -2 N -3.77 0.03 -3.36 5.12 -0.00 -1.26 -4.60 117.12 109.28 2k60 n MET -2 Ca -0.03 0.11 -0.04 0.00 -0.00 0.00 0.00 57.70 57.74 2k60 n MET -2 Cb 0.71 -1.50 -0.06 0.00 -0.00 0.00 0.00 33.22 32.37 2k60 n MET -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k60 s ALA -1 N -2.96 -1.58 0.23 3.17 0.00 -1.10 -4.37 121.76 115.15 2k60 s ALA -1 Ca 0.12 1.44 0.06 0.00 0.00 0.00 0.00 51.96 53.58 2k60 s ALA -1 Cb 0.15 -1.80 0.21 0.00 0.00 0.00 0.00 23.12 21.68 2k60 s ALA -1 CO 0.41 -1.18 1.52 0.77 0.00 0.00 0.00 175.76 177.28 2k60 h SER 0 N 8.10 0.17 -4.09 0.00 0.02 -1.81 0.96 113.55 116.89 2k60 h SER 0 Ca -0.20 -0.11 -0.37 0.00 -0.84 0.00 0.00 61.79 60.27 2k60 h SER 0 Cb 1.14 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.56 2k60 h SER 0 CO 0.23 0.80 -0.30 -1.54 -1.14 0.00 0.00 176.83 174.88 2k60 n SER 58 N -3.78 1.75 0.22 3.07 3.41 -1.26 -2.22 113.62 114.80 2k60 n SER 58 Ca -0.02 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 2k60 n SER 58 Cb 0.67 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 2k60 n SER 58 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2k60 n GLU 59 N -0.65 0.00 -3.48 4.33 0.28 -1.26 -4.73 120.64 115.12 2k60 n GLU 59 Ca -0.07 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.50 2k60 n GLU 59 Cb 0.39 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.20 2k60 n GLU 59 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2k60 s ASP 60 N -1.93 6.03 0.36 -1.84 -4.77 -1.26 -4.98 116.67 108.27 2k60 s ASP 60 Ca 0.00 -2.41 -0.22 0.00 -3.30 0.00 0.00 52.55 46.62 2k60 s ASP 60 Cb 0.00 -2.07 -0.10 0.00 -1.09 0.00 0.00 42.92 39.66 2k60 s ASP 60 CO 0.00 -0.59 0.90 -1.61 0.70 0.00 0.00 175.17 174.57 2k60 s GLU 61 N 0.61 4.35 -0.22 2.11 0.41 -1.26 -4.99 118.70 119.71 2k60 s GLU 61 Ca 0.13 1.13 -0.14 0.00 -0.41 0.00 0.00 54.97 55.68 2k60 s GLU 61 Cb -0.19 -2.52 -0.09 0.00 -1.78 0.00 0.00 34.13 29.55 2k60 s GLU 61 CO -0.04 0.15 -0.32 1.63 -0.49 0.00 0.00 175.26 176.19 2k60 n LYS 62 N -0.00 0.51 -1.63 1.61 4.76 -1.26 -4.84 118.16 117.31 2k60 n LYS 62 Ca 0.04 0.22 -0.30 0.00 -2.87 0.00 0.00 58.31 55.40 2k60 n LYS 62 Cb 0.52 -1.37 0.10 0.00 -1.84 0.00 0.00 35.03 32.44 2k60 n LYS 62 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k60 s LEU 63 N -7.51 2.47 0.01 -0.35 2.01 -1.26 -4.93 118.68 109.11 2k60 s LEU 63 Ca -0.32 1.13 -0.24 0.00 0.01 0.00 0.00 54.13 54.72 2k60 s LEU 63 Cb 0.10 -3.68 -0.17 0.00 0.01 0.00 0.00 46.19 42.45 2k60 s LEU 63 CO 0.42 -2.04 1.33 0.28 1.01 0.00 0.00 176.35 177.35 2k60 h SER 64 N -1.14 0.15 -0.32 2.29 0.02 -1.99 -2.23 113.55 110.33 2k60 h SER 64 Ca -0.48 -0.45 0.05 0.00 -0.84 0.00 0.00 61.79 60.07 2k60 h SER 64 Cb 1.29 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 2k60 h SER 64 CO 0.61 0.57 0.06 0.15 -1.14 0.00 0.00 176.83 177.09 2k60 h PHE 65 N -0.27 0.10 -0.43 3.45 3.57 -1.99 0.16 116.94 121.54 2k60 h PHE 65 Ca 0.01 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 2k60 h PHE 65 Cb 0.52 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2k60 h PHE 65 CO 0.08 0.02 -0.16 1.05 -2.23 0.00 0.00 178.31 177.07 2k60 h GLU 66 N 0.18 0.81 -0.12 1.11 4.11 -1.96 -0.45 114.58 118.25 2k60 h GLU 66 Ca 0.15 -0.30 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 2k60 h GLU 66 Cb 0.16 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2k60 h GLU 66 CO -0.20 0.91 0.02 0.00 0.07 0.00 0.00 179.01 179.81 2k60 h ALA 67 N 1.10 0.15 -0.03 1.06 0.00 -0.73 -0.80 119.26 120.02 2k60 h ALA 67 Ca 0.11 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k60 h ALA 67 Cb 0.66 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2k60 h ALA 67 CO 0.05 -0.19 -0.18 0.28 0.00 0.00 0.00 179.25 179.21 2k60 h VAL 68 N -0.04 0.56 0.00 0.00 2.07 -0.55 -0.48 116.25 117.81 2k60 h VAL 68 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2k60 h VAL 68 Cb 0.30 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2k60 h VAL 68 CO 0.00 0.00 -0.11 0.08 0.02 0.00 0.00 177.57 177.56 2k60 h ARG 69 N -0.28 0.00 0.18 1.57 0.11 -1.03 -1.49 114.38 113.45 2k60 h ARG 69 Ca 0.07 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 2k60 h ARG 69 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 2k60 h ARG 69 CO -0.19 0.11 -0.09 -0.97 0.10 0.00 0.00 179.97 178.93 2k60 h ASN 70 N 0.00 -0.21 0.14 0.08 -0.73 0.41 0.43 115.58 115.70 2k60 h ASN 70 Ca -0.00 -0.17 -0.07 0.00 1.87 0.00 0.00 56.30 57.93 2k60 h ASN 70 Cb 0.21 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 2k60 h ASN 70 CO 0.01 0.06 -0.24 0.40 -0.37 0.00 0.00 177.43 177.30 2k60 h ILE 71 N -0.48 1.22 -0.07 2.57 5.03 -0.88 -0.53 117.51 124.37 2k60 h ILE 71 Ca -0.03 -1.01 -0.14 0.00 -0.12 0.00 0.00 64.86 63.57 2k60 h ILE 71 Cb 0.37 1.41 -0.01 0.00 -3.03 0.00 0.00 36.82 35.55 2k60 h ILE 71 CO 0.04 0.30 -0.56 0.45 -0.68 0.00 0.00 178.15 177.70 2k60 h HIS 72 N 0.16 0.26 0.00 1.37 3.86 -1.08 -3.05 115.15 116.67 2k60 h HIS 72 Ca 0.03 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 2k60 h HIS 72 Cb 0.51 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2k60 h HIS 72 CO 0.01 0.72 -0.26 1.57 0.86 0.00 0.00 177.93 180.83 2k60 h LYS 73 N 0.16 0.00 -0.98 2.45 5.09 0.14 -3.13 116.57 120.29 2k60 h LYS 73 Ca -0.00 0.00 0.28 0.00 0.09 0.00 0.00 60.65 61.02 2k60 h LYS 73 Cb 1.04 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.33 2k60 h LYS 73 CO 0.09 0.26 0.73 -0.07 -2.09 0.00 0.00 179.45 178.36 2k60 h LEU 74 N 0.00 0.00 0.00 7.07 3.38 -1.14 0.45 115.31 125.07 2k60 h LEU 74 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2k60 h LEU 74 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2k60 h LEU 74 CO 0.03 0.00 -0.75 0.24 0.09 0.00 0.00 178.44 178.05 2k60 h MET 75 N 0.00 0.00 -6.59 1.13 2.86 -1.74 -3.46 114.93 107.14 2k60 h MET 75 Ca 0.46 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.59 2k60 h MET 75 Cb 1.91 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.54 2k60 h MET 75 CO -0.00 0.41 0.05 0.34 1.06 0.00 0.00 176.91 178.76 2k60 s ASP 76 N -6.22 6.85 -0.01 1.22 -1.08 0.15 -3.30 116.67 114.28 2k60 s ASP 76 Ca 0.02 1.25 -0.20 0.00 -0.52 0.00 0.00 52.55 53.10 2k60 s ASP 76 Cb 0.08 -2.36 -0.27 0.00 -1.46 0.00 0.00 42.92 38.91 2k60 s ASP 76 CO 0.76 -0.07 1.03 -0.78 0.52 0.00 0.00 175.17 176.63 2k60 h ASP 77 N 2.82 0.57 -0.00 -0.34 1.82 -1.81 -3.36 116.42 116.12 2k60 h ASP 77 Ca -0.48 -0.84 0.00 0.00 -0.39 0.00 0.00 57.03 55.33 2k60 h ASP 77 Cb 1.18 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.01 2k60 h ASP 77 CO 0.66 1.34 -0.59 -0.90 -1.61 0.00 0.00 179.24 178.14 2k60 n ASP 78 N -4.12 0.85 -3.30 2.28 5.75 -1.26 -4.37 116.55 112.38 2k60 n ASP 78 Ca -0.12 -0.93 -0.09 0.00 -0.01 0.00 0.00 54.79 53.64 2k60 n ASP 78 Cb 0.77 0.89 0.01 0.00 -1.03 0.00 0.00 41.12 41.76 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 -1.08 -2.58 0.68 2.12 0.00 -1.26 -4.54 120.51 113.86 2k60 n ALA 79 Ca 0.03 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2k60 n ALA 79 Cb 0.24 -1.75 0.20 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.14 3.08 0.00 0.00 6.94 -1.26 -4.91 115.26 116.97 2k60 n ASN 80 Ca -0.09 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 2k60 n ASN 80 Cb 0.56 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 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 1.41 1.21 3.08 4.83 0.00 -1.26 -5.02 105.19 109.44 2k60 n GLY 81 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.77 -0.25 -0.18 1.61 1.47 -1.26 -1.97 116.67 114.33 2k60 s ASP 82 Ca 0.00 0.49 -0.13 0.00 1.18 0.00 0.00 52.55 54.09 2k60 s ASP 82 Cb 0.00 0.43 -0.05 0.00 -0.34 0.00 0.00 42.92 42.97 2k60 s ASP 82 CO 0.00 -0.12 0.27 0.68 0.68 0.00 0.00 175.17 176.68 2k60 s VAL 83 N 0.68 5.31 0.35 2.11 -7.23 0.12 -4.88 120.40 116.85 2k60 s VAL 83 Ca -0.05 0.49 0.03 0.00 -1.81 0.00 0.00 61.98 60.64 2k60 s VAL 83 Cb -0.06 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.25 2k60 s VAL 83 CO -0.04 0.37 0.52 -0.62 -0.31 0.00 0.00 175.10 175.02 2k60 s ASP 84 N 0.61 6.08 0.43 4.85 2.15 -1.26 -1.47 116.67 128.06 2k60 s ASP 84 Ca 0.15 0.14 0.11 0.00 0.43 0.00 0.00 52.55 53.38 2k60 s ASP 84 Cb -0.13 -1.63 0.98 0.00 -0.30 0.00 0.00 42.92 41.84 2k60 s ASP 84 CO 0.04 -0.40 2.05 -0.37 -0.17 0.00 0.00 175.17 176.31 2k60 h VAL 85 N 0.78 1.02 0.00 1.11 -1.51 -1.90 0.92 116.25 116.67 2k60 h VAL 85 Ca -0.48 -0.15 -0.16 0.00 -1.23 0.00 0.00 66.70 64.69 2k60 h VAL 85 Cb 1.24 0.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 2k60 h VAL 85 CO 0.58 0.08 -0.74 -0.33 -1.23 0.00 0.00 177.57 175.92 2k60 h GLU 86 N 0.43 0.00 0.00 5.19 5.08 -1.97 -2.14 114.58 121.18 2k60 h GLU 86 Ca 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2k60 h GLU 86 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k60 h GLU 86 CO -0.04 0.74 -0.09 0.93 -1.00 0.00 0.00 179.01 179.55 2k60 h GLU 87 N 0.00 0.05 -0.01 2.33 5.08 -1.61 -3.33 114.58 117.09 2k60 h GLU 87 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k60 h GLU 87 Cb 1.46 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.73 2k60 h GLU 87 CO 0.10 0.88 0.00 -1.13 -1.00 0.00 0.00 179.01 177.86 2k60 n SER 88 N -4.62 0.39 -0.24 1.42 3.41 0.21 -4.18 113.62 110.02 2k60 n SER 88 Ca -0.10 -1.23 -0.06 0.00 -0.26 0.00 0.00 58.87 57.22 2k60 n SER 88 Cb 0.45 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.65 -0.61 0.11 4.04 2.03 -0.80 -1.11 116.55 119.56 2k60 n ASP 89 Ca 0.20 1.41 -0.19 0.00 0.52 0.00 0.00 54.79 56.73 2k60 n ASP 89 Cb 0.16 -0.32 -0.15 0.00 -0.72 0.00 0.00 41.12 40.09 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 -3.40 114.58 113.09 2k60 h GLU 90 Ca 0.09 -0.62 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2k60 h GLU 90 Cb 0.24 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2k60 h GLU 90 CO -0.54 1.28 0.00 1.19 0.07 0.00 0.00 179.01 181.00 2k60 n PHE 91 N -3.58 0.00 -0.21 2.06 3.72 -0.41 -1.81 117.46 117.23 2k60 n PHE 91 Ca -0.14 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.27 2k60 n PHE 91 Cb 1.06 -0.35 0.12 0.00 -0.94 0.00 0.00 39.48 39.37 2k60 n PHE 91 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2k60 h LEU 92 N 0.00 -0.09 0.03 4.37 5.85 -1.36 0.45 115.31 124.56 2k60 h LEU 92 Ca 0.00 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2k60 h LEU 92 Cb 0.00 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2k60 h LEU 92 CO 0.00 -0.04 -0.32 0.03 -0.34 0.00 0.00 178.44 177.77 2k60 h ARG 93 N 0.21 -0.41 0.10 1.25 3.08 -1.73 -2.15 114.38 114.73 2k60 h ARG 93 Ca 0.33 0.03 -0.18 0.00 0.07 0.00 0.00 59.98 60.23 2k60 h ARG 93 Cb 0.52 0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.67 2k60 h ARG 93 CO -0.46 -0.27 -0.85 0.93 -1.07 0.00 0.00 179.97 178.24 2k60 h GLU 94 N -0.42 0.22 -0.72 0.04 5.08 -0.95 0.29 114.58 118.11 2k60 h GLU 94 Ca 0.00 -0.38 0.10 0.00 -1.00 0.00 0.00 59.36 58.09 2k60 h GLU 94 Cb 0.44 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2k60 h GLU 94 CO -0.20 1.18 0.48 0.22 -1.00 0.00 0.00 179.01 179.69 2k60 h ASP 95 N -0.49 0.53 0.00 1.42 3.58 -0.07 -1.64 116.42 119.75 2k60 h ASP 95 Ca -0.17 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2k60 h ASP 95 Cb 1.55 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.51 2k60 h ASP 95 CO 0.09 0.31 0.00 0.00 -2.88 0.00 0.00 179.24 176.76 2k60 n LEU 96 N -4.49 0.20 -0.02 2.28 -0.00 -0.83 -4.24 117.00 109.89 2k60 n LEU 96 Ca 0.12 -0.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 2k60 n LEU 96 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2k60 n LEU 96 CO 0.33 0.05 0.20 0.59 -0.00 0.00 0.00 177.39 178.56 2k60 n ASN 97 N -0.01 0.83 0.00 1.45 5.03 -0.17 -4.63 115.26 117.76 2k60 n ASN 97 Ca 0.00 -0.92 0.00 0.00 0.87 0.00 0.00 54.58 54.53 2k60 n ASN 97 Cb 0.25 0.23 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 2k60 n ASN 97 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2k60 n TYR 98 N -0.19 0.00 0.00 3.10 4.02 0.84 -4.08 117.16 120.84 2k60 n TYR 98 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2k60 n TYR 98 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 2k60 n TYR 98 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2k60 n HIS 99 N 0.00 0.00 -5.04 -0.72 8.25 -1.23 -4.11 115.22 112.38 2k60 n HIS 99 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 2k60 n HIS 99 Cb 0.00 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 2k60 n HIS 99 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2k60 s ASP 100 N -3.05 2.72 -0.09 0.41 -4.77 -1.26 -4.46 116.67 106.17 2k60 s ASP 100 Ca 0.00 -0.49 0.14 0.00 -3.30 0.00 0.00 52.55 48.90 2k60 s ASP 100 Cb 0.00 -1.24 0.56 0.00 -1.09 0.00 0.00 42.92 41.14 2k60 s ASP 100 CO 0.00 0.12 1.42 -0.81 0.70 0.00 0.00 175.17 176.61 2k60 n PRO 101 N 3.61 3.15 -0.35 2.11 -0.04 -1.26 -4.53 135.00 137.68 2k60 n PRO 101 Ca -0.20 -2.19 0.11 0.00 -0.04 0.00 0.00 63.50 61.18 2k60 n PRO 101 Cb 0.53 -1.77 0.30 0.00 -0.04 0.00 0.00 33.50 32.51 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 3.12 0.78 0.58 0.52 2.02 -1.98 0.30 112.91 118.25 2k60 h THR 102 Ca 0.00 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 2k60 h THR 102 Cb 1.20 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2k60 h THR 102 CO 0.19 0.15 -0.28 1.62 0.37 0.00 0.00 175.52 177.58 2k60 h VAL 103 N 0.85 0.43 -0.66 3.16 3.04 -1.98 0.11 116.25 121.20 2k60 h VAL 103 Ca 0.55 -0.01 -0.06 0.00 -1.01 0.00 0.00 66.70 66.17 2k60 h VAL 103 Cb 0.75 0.44 -0.03 0.00 -2.01 0.00 0.00 31.29 30.44 2k60 h VAL 103 CO -0.34 0.00 0.18 0.11 -1.01 0.00 0.00 177.57 176.51 2k60 h LYS 104 N -0.78 1.04 0.44 4.17 1.79 -1.53 0.39 116.57 122.09 2k60 h LYS 104 Ca -0.08 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.13 2k60 h LYS 104 Cb 0.59 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2k60 h LYS 104 CO 0.13 0.93 -0.21 0.45 -1.08 0.00 0.00 179.45 179.67 2k60 h HIS 105 N 0.97 -0.54 -0.13 -1.35 3.86 -0.45 -0.87 115.15 116.63 2k60 h HIS 105 Ca 0.21 -0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.24 2k60 h HIS 105 Cb 0.34 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2k60 h HIS 105 CO 0.03 -0.26 -0.61 0.77 0.86 0.00 0.00 177.93 178.71 2k60 h SER 106 N -0.74 0.52 -0.08 2.45 0.02 -0.70 -0.56 113.55 114.46 2k60 h SER 106 Ca -0.06 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2k60 h SER 106 Cb 0.53 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2k60 h SER 106 CO 0.10 1.01 0.03 0.74 -1.14 0.00 0.00 176.83 177.57 2k60 h THR 107 N 0.34 1.16 0.26 -2.27 2.02 -0.26 -0.36 112.91 113.79 2k60 h THR 107 Ca -0.01 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2k60 h THR 107 Cb 1.16 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2k60 h THR 107 CO 0.11 0.14 -0.12 0.15 0.37 0.00 0.00 175.52 176.16 2k60 h PHE 108 N -0.04 -0.32 0.01 3.16 3.57 -1.12 -3.38 116.94 118.82 2k60 h PHE 108 Ca 0.03 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 2k60 h PHE 108 Cb 0.19 0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.05 2k60 h PHE 108 CO -0.01 -0.20 -0.54 1.25 -2.23 0.00 0.00 178.31 176.58 2k60 h HIS 109 N -1.05 0.53 0.00 0.41 2.76 -1.24 -3.48 115.15 113.08 2k60 h HIS 109 Ca -0.04 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 2k60 h HIS 109 Cb 0.26 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2k60 h HIS 109 CO 0.00 1.12 0.00 0.41 -1.30 0.00 0.00 177.93 178.16 2k60 n GLY 110 N 1.11 2.90 0.36 5.26 0.00 -0.15 -4.69 105.19 109.98 2k60 n GLY 110 Ca -0.10 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 1.45 -2.96 1.61 4.07 -1.26 -4.71 120.64 118.84 2k60 n GLU 111 Ca 0.00 -0.70 -0.11 0.00 -0.06 0.00 0.00 57.16 56.29 2k60 n GLU 111 Cb 0.00 -1.20 0.05 0.00 -0.06 0.00 0.00 31.44 30.23 2k60 n GLU 111 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2k60 n ASP 112 N 0.03 -3.40 0.00 4.31 2.03 -1.24 -4.97 116.55 113.31 2k60 n ASP 112 Ca 0.09 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.09 2k60 n ASP 112 Cb 0.18 -2.98 0.00 0.00 -0.72 0.00 0.00 41.12 37.60 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 -2.84 0.00 -2.43 -0.67 5.02 -1.25 -4.77 118.16 111.21 2k60 n LYS 113 Ca -0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.83 2k60 n LYS 113 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.53 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 4.45 -0.18 -0.35 1.02 -1.25 -4.43 118.68 117.94 2k60 s LEU 114 Ca 0.00 2.29 0.01 0.00 0.02 0.00 0.00 54.13 56.45 2k60 s LEU 114 Cb 0.00 -3.75 0.02 0.00 0.02 0.00 0.00 46.19 42.48 2k60 s LEU 114 CO 0.00 -0.29 -0.20 -0.63 0.02 0.00 0.00 176.35 175.26 2k60 s ILE 115 N -1.25 2.06 -0.00 -0.59 -1.09 -0.54 -4.23 121.20 115.55 2k60 s ILE 115 Ca 0.48 -0.96 0.04 0.00 -2.23 0.00 0.00 60.65 57.98 2k60 s ILE 115 Cb -0.31 -1.87 -0.01 0.00 -1.58 0.00 0.00 42.46 38.68 2k60 s ILE 115 CO 0.40 0.52 -0.14 -0.94 -1.23 0.00 0.00 174.94 173.55 2k60 s SER 116 N 1.28 1.66 0.12 3.58 1.04 -1.26 0.10 113.70 120.23 2k60 s SER 116 Ca 0.04 -0.29 -0.29 0.00 0.48 0.00 0.00 55.95 55.89 2k60 s SER 116 Cb -0.13 -0.17 -0.08 0.00 0.10 0.00 0.00 66.02 65.74 2k60 s SER 116 CO -0.13 0.15 1.60 0.58 0.98 0.00 0.00 173.24 176.42 2k60 h VAL 117 N 4.74 0.21 -0.47 5.02 2.07 -1.76 0.68 116.25 126.74 2k60 h VAL 117 Ca -0.35 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 2k60 h VAL 117 Cb 1.16 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2k60 h VAL 117 CO 0.48 0.00 -0.05 1.05 0.02 0.00 0.00 177.57 179.07 2k60 h GLU 118 N -0.57 0.81 -0.06 1.57 4.11 -1.97 0.30 114.58 118.77 2k60 h GLU 118 Ca 0.04 -0.25 -0.15 0.00 0.07 0.00 0.00 59.36 59.07 2k60 h GLU 118 Cb 0.63 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2k60 h GLU 118 CO -0.26 0.85 -0.63 0.22 0.07 0.00 0.00 179.01 179.26 2k60 h ASP 119 N 0.75 0.26 -0.47 3.06 1.82 -1.89 -1.05 116.42 118.89 2k60 h ASP 119 Ca 0.14 -0.15 -0.07 0.00 -0.39 0.00 0.00 57.03 56.55 2k60 h ASP 119 Cb 0.53 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 2k60 h ASP 119 CO 0.03 0.82 0.03 -0.07 -1.61 0.00 0.00 179.24 178.44 2k60 h LEU 120 N 0.16 0.79 -0.48 2.28 3.38 -0.33 -0.25 115.31 120.87 2k60 h LEU 120 Ca -0.01 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.74 2k60 h LEU 120 Cb 1.15 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 2k60 h LEU 120 CO 0.10 0.89 0.15 -0.25 0.09 0.00 0.00 178.44 179.42 2k60 h TRP 121 N 0.67 0.26 -0.33 1.13 7.01 0.18 0.63 115.95 125.50 2k60 h TRP 121 Ca 0.14 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.19 2k60 h TRP 121 Cb 0.47 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 2k60 h TRP 121 CO 0.03 0.07 0.17 0.87 -2.79 0.00 0.00 178.44 176.79 2k60 h LYS 122 N 0.31 0.34 -0.11 2.65 6.56 -1.01 -1.67 116.57 123.63 2k60 h LYS 122 Ca 0.23 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.79 2k60 h LYS 122 Cb 0.26 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 31.84 2k60 h LYS 122 CO -0.25 0.22 0.04 0.00 -2.06 0.00 0.00 179.45 177.40 2k60 h ALA 123 N 1.17 0.15 -0.47 3.86 0.00 0.09 -2.86 119.26 121.21 2k60 h ALA 123 Ca 0.14 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2k60 h ALA 123 Cb 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2k60 h ALA 123 CO -0.09 -0.24 0.14 2.35 0.00 0.00 0.00 179.25 181.40 2k60 h TRP 124 N -0.00 0.23 0.00 0.00 7.01 0.34 0.36 115.95 123.89 2k60 h TRP 124 Ca 0.04 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2k60 h TRP 124 Cb 0.21 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.24 2k60 h TRP 124 CO -0.00 0.06 -0.03 0.87 -2.79 0.00 0.00 178.44 176.54 2k60 h LYS 125 N 0.29 0.00 0.00 2.65 1.57 -1.19 -1.76 116.57 118.14 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 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2k60 h LYS 125 CO -0.26 0.03 -1.43 0.45 -0.57 0.00 0.00 179.45 177.68 2k60 n SER 126 N -3.41 0.62 -4.91 0.86 2.88 -0.18 -4.79 113.62 104.69 2k60 n SER 126 Ca -0.02 -0.50 -0.27 0.00 -1.33 0.00 0.00 58.87 56.74 2k60 n SER 126 Cb 0.14 1.45 0.01 0.00 -0.75 0.00 0.00 64.21 65.06 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 -3.61 6.13 0.50 -3.46 0.01 0.11 -4.95 113.70 108.43 2k60 s SER 127 Ca 0.00 0.92 0.19 0.00 1.31 0.00 0.00 55.95 58.38 2k60 s SER 127 Cb 0.14 -2.16 1.26 0.00 0.21 0.00 0.00 66.02 65.47 2k60 s SER 127 CO 0.84 -0.70 2.04 -0.33 0.41 0.00 0.00 173.24 175.50 2k60 h GLU 128 N 0.10 0.11 -0.33 12.44 5.08 -1.60 -2.52 114.58 127.86 2k60 h GLU 128 Ca -0.46 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 57.96 2k60 h GLU 128 Cb 1.21 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.36 2k60 h GLU 128 CO 0.61 0.07 -0.29 -0.24 -1.00 0.00 0.00 179.01 178.17 2k60 h VAL 129 N 0.11 0.30 0.00 3.13 3.04 -1.82 0.83 116.25 121.84 2k60 h VAL 129 Ca 0.18 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.82 2k60 h VAL 129 Cb 0.57 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 2k60 h VAL 129 CO -0.02 0.00 -0.24 0.22 -1.01 0.00 0.00 177.57 176.52 2k60 h TYR 130 N -0.25 0.00 0.00 3.17 3.20 -1.46 -2.54 116.97 119.09 2k60 h TYR 130 Ca 0.16 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 2k60 h TYR 130 Cb 0.51 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 2k60 h TYR 130 CO -0.48 0.24 -0.67 -0.91 -1.64 0.00 0.00 178.16 174.70 2k60 h ASN 131 N 0.00 0.00 -2.55 -2.11 -0.26 -1.22 -3.42 115.58 106.01 2k60 h ASN 131 Ca -0.00 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.20 2k60 h ASN 131 Cb 0.80 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.07 2k60 h ASN 131 CO 0.03 0.67 1.11 0.26 -1.06 0.00 0.00 177.43 178.44 2k60 s TRP 132 N -3.10 1.95 0.27 1.19 0.51 0.17 -4.95 118.94 114.97 2k60 s TRP 132 Ca 0.01 0.01 -0.04 0.00 -2.12 0.00 0.00 56.10 53.97 2k60 s TRP 132 Cb 0.10 -4.07 0.06 0.00 -0.81 0.00 0.00 33.47 28.75 2k60 s TRP 132 CO 0.76 -4.52 0.37 -2.37 -0.51 0.00 0.00 176.95 170.68 2k60 n THR 133 N 5.13 0.00 -0.21 2.01 5.66 -1.26 -1.50 114.28 124.12 2k60 n THR 133 Ca 0.18 -0.34 -0.07 0.00 -3.05 0.00 0.00 64.05 60.76 2k60 n THR 133 Cb 0.41 -1.68 0.03 0.00 -1.55 0.00 0.00 70.33 67.53 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 -1.02 1.22 -0.61 1.08 2.07 -1.94 -1.20 116.25 115.85 2k60 h VAL 134 Ca -0.12 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2k60 h VAL 134 Cb 0.36 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2k60 h VAL 134 CO 0.10 0.25 0.32 -0.78 0.02 0.00 0.00 177.57 177.48 2k60 h ASP 135 N 0.80 0.77 -0.04 0.57 3.58 -1.94 -0.13 116.42 120.03 2k60 h ASP 135 Ca 0.20 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 2k60 h ASP 135 Cb 0.15 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 2k60 h ASP 135 CO -0.02 0.66 0.02 -0.33 -2.88 0.00 0.00 179.24 176.69 2k60 h GLU 136 N 0.82 0.06 -0.28 0.28 4.39 -1.86 -1.65 114.58 116.35 2k60 h GLU 136 Ca 0.21 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 2k60 h GLU 136 Cb 0.07 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2k60 h GLU 136 CO -0.03 0.12 -0.10 -0.24 -1.16 0.00 0.00 179.01 177.60 2k60 h VAL 137 N -0.01 1.22 0.06 3.13 3.04 -0.98 -0.67 116.25 122.03 2k60 h VAL 137 Ca 0.02 -0.93 -0.00 0.00 -1.01 0.00 0.00 66.70 64.77 2k60 h VAL 137 Cb 0.08 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2k60 h VAL 137 CO -0.00 0.31 -0.03 0.58 -1.01 0.00 0.00 177.57 177.41 2k60 h VAL 138 N 0.42 0.98 0.00 1.51 2.07 -0.67 0.47 116.25 121.04 2k60 h VAL 138 Ca 0.08 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 2k60 h VAL 138 Cb 0.44 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2k60 h VAL 138 CO 0.02 0.03 -0.45 0.06 0.02 0.00 0.00 177.57 177.26 2k60 h GLN 139 N -0.14 0.00 -0.11 1.57 3.07 -1.00 -1.60 115.11 116.90 2k60 h GLN 139 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.65 2k60 h GLN 139 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.68 2k60 h GLN 139 CO 0.01 0.45 -0.24 2.35 0.09 0.00 0.00 178.83 181.49 2k60 h TRP 140 N 0.00 0.45 -0.75 0.06 2.91 -0.76 -1.36 115.95 116.49 2k60 h TRP 140 Ca -0.00 -0.17 -0.06 0.00 1.13 0.00 0.00 58.89 59.79 2k60 h TRP 140 Cb 0.81 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.35 2k60 h TRP 140 CO 0.00 0.86 0.25 1.37 -1.03 0.00 0.00 178.44 179.89 2k60 h LEU 141 N -0.09 1.09 -0.09 0.65 8.10 0.18 0.11 115.31 125.26 2k60 h LEU 141 Ca -0.00 -0.20 -0.03 0.00 0.11 0.00 0.00 57.88 57.76 2k60 h LEU 141 Cb 0.84 -0.28 -0.00 0.00 -0.44 0.00 0.00 40.66 40.78 2k60 h LEU 141 CO 0.05 1.00 -0.07 0.16 -4.11 0.00 0.00 178.44 175.47 2k60 h ILE 142 N 1.12 1.35 0.00 0.15 3.07 -1.28 0.40 117.51 122.31 2k60 h ILE 142 Ca 0.24 -1.18 -0.04 0.00 1.55 0.00 0.00 64.86 65.44 2k60 h ILE 142 Cb 0.29 1.95 -0.01 0.00 -0.27 0.00 0.00 36.82 38.78 2k60 h ILE 142 CO -0.01 0.33 -0.18 0.00 -1.05 0.00 0.00 178.15 177.24 2k60 h THR 143 N -0.20 0.64 0.00 0.16 1.03 -0.95 -0.42 112.91 113.17 2k60 h THR 143 Ca 0.02 -0.80 -0.22 0.00 -0.01 0.00 0.00 66.41 65.40 2k60 h THR 143 Cb 0.56 1.51 -0.04 0.00 -1.07 0.00 0.00 68.15 69.11 2k60 h THR 143 CO 0.02 0.18 -1.79 -1.22 -0.01 0.00 0.00 175.52 172.69 2k60 n TYR 144 N -3.61 0.00 0.11 0.00 4.01 0.00 -4.63 117.16 113.04 2k60 n TYR 144 Ca -0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.78 2k60 n TYR 144 Cb 0.31 -0.52 0.01 0.00 -0.31 0.00 0.00 39.34 38.83 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 -0.26 0.41 -4.45 -0.72 2.07 -0.33 -3.48 116.25 109.50 2k60 h VAL 145 Ca -0.34 -1.67 -0.24 0.00 0.82 0.00 0.00 66.70 65.27 2k60 h VAL 145 Cb 1.40 2.02 0.11 0.00 -1.52 0.00 0.00 31.29 33.30 2k60 h VAL 145 CO -0.13 0.24 -0.51 -0.62 0.02 0.00 0.00 177.57 176.56 2k60 n GLU 146 N -2.98 -4.82 -4.01 1.57 1.02 -0.17 -4.96 120.64 106.29 2k60 n GLU 146 Ca -0.02 0.58 -0.32 0.00 -0.02 0.00 0.00 57.16 57.38 2k60 n GLU 146 Cb 0.69 -4.81 -0.15 0.00 -0.02 0.00 0.00 31.44 27.15 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 -5.09 4.33 -0.06 -4.62 1.43 -1.25 -4.99 118.68 108.42 2k60 s LEU 147 Ca 0.12 -1.85 0.05 0.00 -1.03 0.00 0.00 54.13 51.42 2k60 s LEU 147 Cb -0.05 -1.62 0.26 0.00 0.03 0.00 0.00 46.19 44.81 2k60 s LEU 147 CO 0.50 -0.32 0.99 -0.81 0.23 0.00 0.00 176.35 176.94 2k60 n PRO 148 N 4.36 2.14 -0.97 1.29 -0.05 -1.26 -3.61 135.00 136.89 2k60 n PRO 148 Ca -0.03 -1.03 -0.03 0.00 -0.05 0.00 0.00 63.50 62.36 2k60 n PRO 148 Cb 0.42 -1.62 0.32 0.00 -0.05 0.00 0.00 33.50 32.57 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 0.22 3.90 -0.36 0.54 0.00 -1.26 -4.61 117.38 115.81 2k60 n GLN 149 Ca 0.09 -2.98 0.06 0.00 0.00 0.00 0.00 57.00 54.16 2k60 n GLN 149 Cb 0.48 -2.21 0.21 0.00 0.00 0.00 0.00 30.24 28.73 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 2.87 1.13 -0.13 2.61 -0.00 -1.96 -1.07 116.97 120.42 2k60 h TYR 150 Ca 0.21 0.03 0.03 0.00 -0.00 0.00 0.00 58.73 58.99 2k60 h TYR 150 Cb 2.22 -0.36 -0.02 0.00 -0.00 0.00 0.00 36.73 38.57 2k60 h TYR 150 CO 1.22 0.48 -0.02 1.49 -0.00 0.00 0.00 178.16 181.33 2k60 h GLU 151 N 1.02 0.01 0.02 0.10 4.81 -1.93 0.15 114.58 118.76 2k60 h GLU 151 Ca 0.47 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2k60 h GLU 151 Cb 0.40 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2k60 h GLU 151 CO -0.24 0.01 -0.04 0.93 -0.73 0.00 0.00 179.01 178.94 2k60 h GLU 152 N 0.01 -0.07 -0.40 1.92 4.39 -1.60 -0.01 114.58 118.82 2k60 h GLU 152 Ca 0.06 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 2k60 h GLU 152 Cb 0.09 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2k60 h GLU 152 CO -0.13 -0.05 -0.15 0.00 -1.16 0.00 0.00 179.01 177.53 2k60 h THR 153 N -0.08 1.28 -0.20 1.13 1.03 -1.05 0.05 112.91 115.07 2k60 h THR 153 Ca 0.01 -1.27 -0.12 0.00 -0.01 0.00 0.00 66.41 65.02 2k60 h THR 153 Cb 0.08 1.25 -0.01 0.00 -1.07 0.00 0.00 68.15 68.40 2k60 h THR 153 CO -0.03 0.42 -0.38 2.19 -0.01 0.00 0.00 175.52 177.71 2k60 h PHE 154 N 0.62 0.54 0.00 0.00 -5.15 -0.56 -0.02 116.94 112.37 2k60 h PHE 154 Ca 0.10 -0.15 -0.11 0.00 -0.20 0.00 0.00 57.97 57.61 2k60 h PHE 154 Cb 0.69 -0.12 -0.02 0.00 0.22 0.00 0.00 35.95 36.72 2k60 h PHE 154 CO 0.05 0.78 -0.54 0.07 -2.00 0.00 0.00 178.31 176.67 2k60 h ARG 155 N 0.38 0.00 0.02 6.09 0.11 -0.81 0.17 114.38 120.34 2k60 h ARG 155 Ca 0.04 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.12 2k60 h ARG 155 Cb 0.85 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.93 2k60 h ARG 155 CO 0.07 0.54 -0.01 0.87 0.10 0.00 0.00 179.97 181.54 2k60 h LYS 156 N 0.00 -0.03 0.00 0.08 1.79 -0.38 -3.41 116.57 114.62 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 1.08 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2k60 h LYS 156 CO 0.07 0.71 0.00 1.47 -1.08 0.00 0.00 179.45 180.62 2k60 n LEU 157 N -4.72 0.05 -2.95 2.94 -0.00 -0.07 -5.07 117.00 107.18 2k60 n LEU 157 Ca -0.09 -0.49 -0.09 0.00 -0.00 0.00 0.00 56.01 55.35 2k60 n LEU 157 Cb 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.79 2k60 n LEU 157 CO 0.31 0.01 -0.27 0.00 -0.00 0.00 0.00 177.39 177.44 2k60 n GLN 158 N -0.87 -2.42 -2.36 1.47 6.02 0.58 -4.99 117.38 114.82 2k60 n GLN 158 Ca 0.00 2.08 -0.29 0.00 -0.01 0.00 0.00 57.00 58.78 2k60 n GLN 158 Cb 0.00 -4.38 0.00 0.00 1.02 0.00 0.00 30.24 26.89 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 -2.01 3.48 0.00 1.08 2.34 -1.26 -4.88 118.68 117.43 2k60 s LEU 159 Ca 0.14 1.10 0.00 0.00 0.06 0.00 0.00 54.13 55.44 2k60 s LEU 159 Cb -0.03 -4.09 0.00 0.00 -0.56 0.00 0.00 46.19 41.51 2k60 s LEU 159 CO 0.68 -0.69 0.00 -1.54 -1.06 0.00 0.00 176.35 173.74 2k60 n SER 160 N -2.44 0.00 0.31 1.48 3.41 -1.26 -3.57 113.62 111.55 2k60 n SER 160 Ca 0.03 -0.04 0.19 0.00 -0.26 0.00 0.00 58.87 58.79 2k60 n SER 160 Cb 0.55 0.00 0.99 0.00 -0.26 0.00 0.00 64.21 65.49 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 1.06 5.00 0.00 -1.30 0.21 103.07 108.05 2k60 h GLY 161 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2k60 h GLY 161 CO 0.00 0.00 -1.65 0.84 0.00 0.00 0.00 176.54 175.73 2k60 h HIS 162 N 0.00 0.69 -0.06 5.60 -0.00 -1.85 -3.32 115.15 116.21 2k60 h HIS 162 Ca -0.00 -0.50 -0.10 0.00 -0.00 0.00 0.00 60.37 59.77 2k60 h HIS 162 Cb 0.15 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 2k60 h HIS 162 CO 0.00 1.58 -0.41 0.00 -0.00 0.00 0.00 177.93 179.10 2k60 h ALA 163 N 0.23 1.22 -0.31 5.26 0.00 -1.68 -2.39 119.26 121.59 2k60 h ALA 163 Ca -0.30 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.27 2k60 h ALA 163 Cb 2.09 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.72 2k60 h ALA 163 CO 0.19 0.55 -0.44 0.52 0.00 0.00 0.00 179.25 180.07 2k60 h MET 164 N 0.10 -0.38 -0.35 0.00 2.86 -0.70 0.84 114.93 117.30 2k60 h MET 164 Ca 0.01 0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 2k60 h MET 164 Cb 0.77 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2k60 h MET 164 CO 0.06 -0.25 -0.09 -1.00 1.06 0.00 0.00 176.91 176.68 2k60 h PRO 165 N -0.40 0.69 -0.89 -0.22 0.13 -1.71 -1.69 132.00 127.91 2k60 h PRO 165 Ca 0.11 -0.27 0.12 0.00 -0.87 0.00 0.00 66.00 65.09 2k60 h PRO 165 Cb 0.60 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 31.61 2k60 h PRO 165 CO -0.51 0.85 0.52 -0.09 -0.23 0.00 0.00 178.00 178.53 2k60 h ARG 166 N 0.48 0.78 0.00 0.86 2.43 -0.81 -1.34 114.38 116.78 2k60 h ARG 166 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2k60 h ARG 166 Cb 0.60 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2k60 h ARG 166 CO 0.04 0.52 -0.28 1.37 -1.51 0.00 0.00 179.97 180.10 2k60 h LEU 167 N 0.80 0.00 -0.87 3.80 8.10 0.78 -3.22 115.31 124.70 2k60 h LEU 167 Ca 0.45 -0.08 0.00 0.00 0.11 0.00 0.00 57.88 58.36 2k60 h LEU 167 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.73 2k60 h LEU 167 CO -0.29 0.04 0.00 0.00 -4.11 0.00 0.00 178.44 174.08 2k60 h ALA 168 N 2.44 1.00 -3.04 0.17 0.00 -0.26 -3.40 119.26 116.16 2k60 h ALA 168 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 2k60 h ALA 168 Cb 0.78 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.29 2k60 h ALA 168 CO 0.00 0.00 -0.72 0.54 0.00 0.00 0.00 179.25 179.07 2k60 s VAL 169 N -3.40 3.35 0.32 0.00 0.11 -1.21 -4.37 120.40 115.20 2k60 s VAL 169 Ca 0.04 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 2k60 s VAL 169 Cb 0.09 -2.57 0.00 0.00 -1.53 0.00 0.00 36.38 32.37 2k60 s VAL 169 CO 0.43 0.35 0.00 0.35 -3.33 0.00 0.00 175.10 172.91 2k60 n THR 170 N 4.78 -6.78 0.22 5.04 -2.24 -1.26 -4.48 114.28 109.56 2k60 n THR 170 Ca -0.18 2.61 0.05 0.00 -2.27 0.00 0.00 64.05 64.26 2k60 n THR 170 Cb 0.50 -3.56 0.49 0.00 -2.10 0.00 0.00 70.33 65.65 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 3.30 0.00 -0.96 3.42 7.08 -1.86 -2.03 115.58 124.53 2k60 h ASN 171 Ca 0.00 0.00 0.06 0.00 -3.08 0.00 0.00 56.30 53.28 2k60 h ASN 171 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.18 2k60 h ASN 171 CO 0.00 0.23 0.63 0.74 -2.08 0.00 0.00 177.43 176.94 2k60 h THR 172 N 0.00 1.10 -0.11 6.14 2.02 -1.91 -2.11 112.91 118.04 2k60 h THR 172 Ca -0.00 -0.39 -0.18 0.00 0.77 0.00 0.00 66.41 66.61 2k60 h THR 172 Cb 0.41 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2k60 h THR 172 CO 0.03 0.21 -0.70 0.74 0.37 0.00 0.00 175.52 176.17 2k60 h THR 173 N 1.13 1.36 0.09 3.16 2.02 -1.59 -3.24 112.91 115.84 2k60 h THR 173 Ca 0.41 -2.05 -0.26 0.00 0.77 0.00 0.00 66.41 65.29 2k60 h THR 173 Cb 0.15 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2k60 h THR 173 CO -0.15 0.62 -1.16 -0.03 0.37 0.00 0.00 175.52 175.17 2k60 h MET 174 N 0.33 0.28 -6.41 6.66 1.85 -1.51 -3.42 114.93 112.70 2k60 h MET 174 Ca -0.02 -0.42 -0.55 0.00 -0.61 0.00 0.00 59.70 58.10 2k60 h MET 174 Cb 1.27 0.15 -0.06 0.00 0.43 0.00 0.00 31.60 33.39 2k60 h MET 174 CO 0.12 1.17 1.10 -0.08 -0.40 0.00 0.00 176.91 178.83 2k60 s THR 175 N -2.80 3.79 -1.55 -0.77 -1.32 -0.82 -4.79 115.64 107.37 2k60 s THR 175 Ca -0.04 0.68 0.22 0.00 -1.21 0.00 0.00 61.69 61.34 2k60 s THR 175 Cb 0.08 -4.42 -0.08 0.00 -1.51 0.00 0.00 72.50 66.56 2k60 s THR 175 CO 0.87 -1.15 1.06 0.61 -2.21 0.00 0.00 174.62 173.80 2k60 n GLY 176 N 5.25 -0.48 1.54 6.08 0.00 -1.26 -4.89 105.19 111.43 2k60 n GLY 176 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.73 0.00 -3.71 2.61 -1.04 -1.26 -5.11 114.28 105.03 2k60 n THR 177 Ca 0.07 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.93 2k60 n THR 177 Cb 0.40 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.76 2k60 n THR 177 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k60 s VAL 178 N -0.82 -0.14 0.22 12.58 0.11 -1.26 -5.02 120.40 126.06 2k60 s VAL 178 Ca 0.00 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2k60 s VAL 178 Cb 0.00 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 2k60 s VAL 178 CO 0.00 0.11 0.00 0.18 -3.33 0.00 0.00 175.10 172.06 2k60 n LEU 179 N 4.70 0.22 -3.66 2.54 7.99 -1.26 -4.63 117.00 122.90 2k60 n LEU 179 Ca -0.17 0.36 -0.13 0.00 -0.01 0.00 0.00 56.01 56.07 2k60 n LEU 179 Cb 0.51 0.17 -0.08 0.00 -0.11 0.00 0.00 43.42 43.91 2k60 n LEU 179 CO 0.12 -0.77 0.32 -0.75 -1.51 0.00 0.00 177.39 174.80 2k60 s LYS 180 N -1.93 0.72 0.09 3.23 2.47 -1.26 -4.86 119.74 118.20 2k60 s LYS 180 Ca 0.00 0.93 -0.12 0.00 -1.56 0.00 0.00 55.97 55.21 2k60 s LYS 180 Cb 0.00 0.31 -0.18 0.00 -1.46 0.00 0.00 37.83 36.50 2k60 s LYS 180 CO 0.00 -0.10 1.25 1.98 0.16 0.00 0.00 175.35 178.64 2k60 h MET 181 N 5.50 0.69 -6.36 4.03 1.85 -2.02 -3.40 114.93 115.22 2k60 h MET 181 Ca -0.29 -0.68 -0.54 0.00 -0.61 0.00 0.00 59.70 57.58 2k60 h MET 181 Cb 1.18 0.18 -0.07 0.00 0.43 0.00 0.00 31.60 33.31 2k60 h MET 181 CO 0.12 1.27 1.10 0.95 -0.40 0.00 0.00 176.91 179.95 2k60 s THR 182 N -3.46 3.73 0.19 -0.77 -4.23 -1.26 -4.87 115.64 104.97 2k60 s THR 182 Ca -0.09 0.53 -0.12 0.00 -1.18 0.00 0.00 61.69 60.83 2k60 s THR 182 Cb 0.08 -4.62 0.11 0.00 1.34 0.00 0.00 72.50 69.41 2k60 s THR 182 CO 0.91 -1.45 1.74 -2.24 -0.54 0.00 0.00 174.62 173.04 2k60 h ASP 183 N 10.92 0.14 -0.18 3.99 2.03 -2.00 0.36 116.42 131.69 2k60 h ASP 183 Ca -0.27 0.07 -0.10 0.00 -0.73 0.00 0.00 57.03 56.01 2k60 h ASP 183 Cb 1.08 0.07 -0.00 0.00 -0.83 0.00 0.00 39.33 39.65 2k60 h ASP 183 CO 1.23 0.10 -0.27 0.08 -1.03 0.00 0.00 179.24 179.34 2k60 h ARG 184 N 0.33 0.50 -0.40 4.15 -0.00 -1.97 -1.45 114.38 115.54 2k60 h ARG 184 Ca 0.26 -0.30 -0.11 0.00 -0.00 0.00 0.00 59.98 59.83 2k60 h ARG 184 Cb 0.31 0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.30 2k60 h ARG 184 CO -0.29 0.90 -0.20 1.03 -0.00 0.00 0.00 179.97 181.41 2k60 h SER 185 N 0.14 0.80 0.51 0.08 0.87 -1.91 0.79 113.55 114.83 2k60 h SER 185 Ca 0.02 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 2k60 h SER 185 Cb 0.85 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2k60 h SER 185 CO 0.06 0.98 -0.24 -0.74 -0.53 0.00 0.00 176.83 176.36 2k60 h HIS 186 N 0.69 -0.63 -0.68 2.24 -0.00 -0.83 -0.23 115.15 115.71 2k60 h HIS 186 Ca 0.10 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 2k60 h HIS 186 Cb 0.71 0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 28.30 2k60 h HIS 186 CO 0.04 -0.35 0.38 0.07 -0.00 0.00 0.00 177.93 178.07 2k60 h ARG 187 N -0.78 0.93 0.11 5.26 0.11 -1.06 -0.78 114.38 118.16 2k60 h ARG 187 Ca -0.07 -0.10 -0.01 0.00 0.10 0.00 0.00 59.98 59.91 2k60 h ARG 187 Cb 0.57 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.46 2k60 h ARG 187 CO 0.11 0.68 -0.05 1.96 0.10 0.00 0.00 179.97 182.77 2k60 h GLN 188 N 0.94 -0.15 -0.39 0.08 1.08 -0.69 0.69 115.11 116.68 2k60 h GLN 188 Ca 0.24 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.38 2k60 h GLN 188 Cb 0.01 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2k60 h GLN 188 CO -0.04 0.09 -0.04 0.87 -0.95 0.00 0.00 178.83 178.76 2k60 h LYS 189 N -0.38 0.72 -0.28 1.46 1.79 -0.75 -0.32 116.57 118.81 2k60 h LYS 189 Ca -0.02 -0.25 -0.09 0.00 -2.18 0.00 0.00 60.65 58.12 2k60 h LYS 189 Cb 0.31 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2k60 h LYS 189 CO 0.03 0.84 -0.16 -0.07 -1.08 0.00 0.00 179.45 179.00 2k60 h LEU 190 N 0.54 0.63 -0.49 2.94 -0.00 -1.18 -1.62 115.31 116.13 2k60 h LEU 190 Ca 0.11 -0.42 -0.07 0.00 -0.00 0.00 0.00 57.88 57.50 2k60 h LEU 190 Cb 0.54 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 2k60 h LEU 190 CO 0.03 0.92 0.05 0.06 -0.00 0.00 0.00 178.44 179.49 2k60 h GLN 191 N 0.35 0.83 0.05 1.13 3.07 -0.74 0.39 115.11 120.19 2k60 h GLN 191 Ca 0.06 -0.24 0.02 0.00 0.09 0.00 0.00 58.65 58.58 2k60 h GLN 191 Cb 0.69 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 28.13 2k60 h GLN 191 CO 0.05 0.85 -0.19 -0.07 0.09 0.00 0.00 178.83 179.56 2k60 h LEU 192 N 0.70 -0.53 0.02 0.06 -0.00 -0.99 0.13 115.31 114.69 2k60 h LEU 192 Ca 0.14 0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2k60 h LEU 192 Cb 0.45 0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 2k60 h LEU 192 CO 0.02 -0.26 -0.01 0.11 -0.00 0.00 0.00 178.44 178.30 2k60 h LYS 193 N -0.33 -0.03 -0.58 1.13 6.56 -1.14 -1.79 116.57 120.40 2k60 h LYS 193 Ca 0.04 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.53 2k60 h LYS 193 Cb 0.38 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 2k60 h LYS 193 CO -0.14 0.66 -0.04 0.00 -2.06 0.00 0.00 179.45 177.87 2k60 h ALA 194 N 0.15 0.78 -0.19 3.86 0.00 -0.23 0.50 119.26 124.13 2k60 h ALA 194 Ca -0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2k60 h ALA 194 Cb 0.70 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k60 h ALA 194 CO 0.01 0.65 -0.11 1.25 0.00 0.00 0.00 179.25 181.05 2k60 h LEU 195 N 0.94 0.42 -1.22 0.00 5.85 -0.84 0.22 115.31 120.68 2k60 h LEU 195 Ca 0.16 -0.42 0.12 0.00 0.84 0.00 0.00 57.88 58.58 2k60 h LEU 195 Cb 0.60 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 2k60 h LEU 195 CO 0.04 0.76 0.58 -0.78 -0.34 0.00 0.00 178.44 178.69 2k60 h ASP 196 N 0.10 0.74 -0.11 1.25 1.82 -1.07 -0.62 116.42 118.54 2k60 h ASP 196 Ca 0.04 0.04 -0.13 0.00 -0.39 0.00 0.00 57.03 56.59 2k60 h ASP 196 Cb 0.60 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.50 2k60 h ASP 196 CO 0.03 0.40 -0.42 0.74 -1.61 0.00 0.00 179.24 178.38 2k60 h THR 197 N 0.80 1.38 0.00 2.25 2.02 -0.49 0.31 112.91 119.18 2k60 h THR 197 Ca 0.44 -1.75 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 2k60 h THR 197 Cb 0.57 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 2k60 h THR 197 CO -0.20 0.52 -0.24 -0.37 0.37 0.00 0.00 175.52 175.60 2k60 h VAL 198 N 0.06 0.59 0.01 3.16 -1.51 -0.12 -0.95 116.25 117.49 2k60 h VAL 198 Ca -0.02 -1.16 -0.10 0.00 -1.23 0.00 0.00 66.70 64.19 2k60 h VAL 198 Cb 1.06 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 2k60 h VAL 198 CO 0.09 0.24 -0.52 -0.07 -1.23 0.00 0.00 177.57 176.08 2k60 h LEU 199 N 0.00 0.02 0.00 4.19 3.38 -1.05 -3.39 115.31 118.46 2k60 h LEU 199 Ca -0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2k60 h LEU 199 Cb 0.76 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2k60 h LEU 199 CO 0.03 1.20 0.00 0.33 0.09 0.00 0.00 178.44 180.10 2k60 n PHE 200 N -4.52 0.00 -0.23 1.13 -0.00 0.11 -4.87 117.46 109.08 2k60 n PHE 200 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.26 2k60 n PHE 200 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.05 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17