#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 1.17 0.61 1.61 0.01 -1.26 -4.92 113.70 110.91 2k60 s SER -4 Ca 0.00 -0.00 0.36 0.00 1.31 0.00 0.00 55.95 57.62 2k60 s SER -4 Cb 0.00 -0.27 1.98 0.00 0.21 0.00 0.00 66.02 67.94 2k60 s SER -4 CO 0.00 -0.20 2.25 0.45 0.41 0.00 0.00 173.24 176.15 2k60 h HIS -3 N 8.16 0.00 -0.99 2.43 -0.00 -1.95 -2.95 115.15 119.85 2k60 h HIS -3 Ca -0.21 0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.34 2k60 h HIS -3 Cb 1.12 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.44 2k60 h HIS -3 CO 0.48 0.02 0.61 0.00 -0.00 0.00 0.00 177.93 179.05 2k60 h MET -2 N 0.00 0.73 0.00 2.45 -0.00 -1.98 0.04 114.93 116.17 2k60 h MET -2 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 2k60 h MET -2 Cb 0.10 -0.16 0.00 0.00 -0.00 0.00 0.00 31.60 31.54 2k60 h MET -2 CO 0.00 0.48 -0.38 0.00 -0.00 0.00 0.00 176.91 177.02 2k60 n ALA -1 N -2.36 2.71 -2.85 -3.00 0.00 -1.11 -4.64 120.51 109.26 2k60 n ALA -1 Ca 0.22 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 2k60 n ALA -1 Cb 0.56 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 -4.22 6.48 -0.31 0.00 0.01 -0.00 -4.03 113.70 111.64 2k60 s SER 0 Ca 0.08 -1.66 -0.14 0.00 1.31 0.00 0.00 55.95 55.54 2k60 s SER 0 Cb 0.13 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 2k60 s SER 0 CO 0.67 -1.24 0.32 -0.94 0.41 0.00 0.00 173.24 172.46 2k60 s SER 58 N 3.84 6.16 0.00 2.44 1.04 -1.26 -4.91 113.70 121.02 2k60 s SER 58 Ca 0.32 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2k60 s SER 58 Cb -0.07 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2k60 s SER 58 CO -0.04 -0.23 0.07 -1.84 0.98 0.00 0.00 173.24 172.18 2k60 n GLU 59 N 5.29 1.60 0.00 4.02 0.28 -1.26 -4.73 120.64 125.84 2k60 n GLU 59 Ca -0.10 -0.07 0.14 0.00 -0.16 0.00 0.00 57.16 56.96 2k60 n GLU 59 Cb 0.50 -0.38 0.49 0.00 1.43 0.00 0.00 31.44 33.49 2k60 n GLU 59 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2k60 n ASP 60 N -0.25 1.19 -2.79 -1.84 5.75 -1.26 -4.87 116.55 112.47 2k60 n ASP 60 Ca 0.00 -1.18 -0.04 0.00 -0.01 0.00 0.00 54.79 53.55 2k60 n ASP 60 Cb 0.06 0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.19 2k60 n ASP 60 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2k60 n GLU 61 N -0.26 -2.93 0.00 0.11 2.13 -1.26 -5.04 120.64 113.39 2k60 n GLU 61 Ca 0.16 2.45 0.00 0.00 0.66 0.00 0.00 57.16 60.43 2k60 n GLU 61 Cb 0.34 -5.52 0.00 0.00 0.27 0.00 0.00 31.44 26.53 2k60 n GLU 61 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2k60 n LYS 62 N 0.19 0.00 -4.02 5.31 3.00 -1.26 -5.10 118.16 116.28 2k60 n LYS 62 Ca 0.06 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.15 2k60 n LYS 62 Cb 0.24 -0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.21 2k60 n LYS 62 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2k60 s LEU 63 N -4.83 3.35 -0.10 3.14 2.96 -1.26 -5.06 118.68 116.88 2k60 s LEU 63 Ca 0.00 -0.70 -0.22 0.00 -0.22 0.00 0.00 54.13 52.99 2k60 s LEU 63 Cb 0.00 -1.87 -0.19 0.00 0.50 0.00 0.00 46.19 44.63 2k60 s LEU 63 CO 0.00 -0.32 0.71 0.77 -1.32 0.00 0.00 176.35 176.19 2k60 h SER 64 N 1.46 -0.04 -0.86 3.68 4.64 -2.00 -3.29 113.55 117.15 2k60 h SER 64 Ca -0.44 -0.65 0.15 0.00 -0.47 0.00 0.00 61.79 60.38 2k60 h SER 64 Cb 1.25 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 2k60 h SER 64 CO 0.62 0.74 0.44 0.15 -0.87 0.00 0.00 176.83 177.91 2k60 h PHE 65 N -0.92 0.78 -0.38 4.77 3.57 -1.99 -0.31 116.94 122.47 2k60 h PHE 65 Ca -0.00 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 2k60 h PHE 65 Cb 0.68 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2k60 h PHE 65 CO 0.17 0.18 -0.09 1.05 -2.23 0.00 0.00 178.31 177.40 2k60 h GLU 66 N 0.63 0.65 -0.14 1.11 4.11 -1.95 0.21 114.58 119.19 2k60 h GLU 66 Ca 0.47 -0.19 -0.05 0.00 0.07 0.00 0.00 59.36 59.66 2k60 h GLU 66 Cb 0.66 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k60 h GLU 66 CO -0.36 0.73 -0.10 0.00 0.07 0.00 0.00 179.01 179.34 2k60 h ALA 67 N 1.31 0.21 0.16 1.06 0.00 -1.18 0.15 119.26 120.96 2k60 h ALA 67 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k60 h ALA 67 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2k60 h ALA 67 CO 0.03 0.04 -0.14 0.28 0.00 0.00 0.00 179.25 179.46 2k60 h VAL 68 N -0.03 0.69 0.00 0.00 2.07 -0.90 -1.14 116.25 116.93 2k60 h VAL 68 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2k60 h VAL 68 Cb 0.60 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2k60 h VAL 68 CO 0.03 0.00 -0.14 0.08 0.02 0.00 0.00 177.57 177.55 2k60 h ARG 69 N -0.32 0.00 0.16 1.57 0.11 -0.60 -1.71 114.38 113.59 2k60 h ARG 69 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2k60 h ARG 69 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2k60 h ARG 69 CO -0.02 0.14 -0.08 -0.97 0.10 0.00 0.00 179.97 179.14 2k60 h ASN 70 N 0.00 -0.18 0.13 0.08 -0.73 0.22 0.67 115.58 115.77 2k60 h ASN 70 Ca -0.00 -0.10 -0.06 0.00 1.87 0.00 0.00 56.30 58.01 2k60 h ASN 70 Cb 0.29 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 2k60 h ASN 70 CO 0.02 -0.01 -0.21 0.40 -0.37 0.00 0.00 177.43 177.26 2k60 h ILE 71 N -0.35 1.19 -0.12 2.57 5.03 -0.76 -0.23 117.51 124.84 2k60 h ILE 71 Ca -0.02 -0.89 -0.14 0.00 -0.12 0.00 0.00 64.86 63.68 2k60 h ILE 71 Cb 0.27 1.36 -0.01 0.00 -3.03 0.00 0.00 36.82 35.41 2k60 h ILE 71 CO 0.04 0.27 -0.54 0.45 -0.68 0.00 0.00 178.15 177.68 2k60 h HIS 72 N 0.14 0.43 0.00 1.37 3.86 -1.01 -3.10 115.15 116.83 2k60 h HIS 72 Ca 0.03 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 2k60 h HIS 72 Cb 0.45 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 2k60 h HIS 72 CO 0.00 0.81 -0.16 1.57 0.86 0.00 0.00 177.93 181.01 2k60 h LYS 73 N 0.27 0.00 -0.80 2.45 5.09 0.20 -2.48 116.57 121.30 2k60 h LYS 73 Ca 0.01 0.00 0.23 0.00 0.09 0.00 0.00 60.65 60.98 2k60 h LYS 73 Cb 1.03 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.33 2k60 h LYS 73 CO 0.09 0.16 0.65 -0.07 -2.09 0.00 0.00 179.45 178.18 2k60 h LEU 74 N 0.00 0.00 0.13 7.07 3.38 -1.15 -1.29 115.31 123.44 2k60 h LEU 74 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2k60 h LEU 74 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2k60 h LEU 74 CO 0.02 0.00 -1.78 0.24 0.09 0.00 0.00 178.44 177.02 2k60 h MET 75 N 0.00 0.27 -5.22 1.13 2.86 -1.64 -3.45 114.93 108.87 2k60 h MET 75 Ca 0.38 -0.45 -0.65 0.00 -2.06 0.00 0.00 59.70 56.92 2k60 h MET 75 Cb 1.67 0.17 -0.15 0.00 0.06 0.00 0.00 31.60 33.35 2k60 h MET 75 CO -0.00 1.13 -0.07 0.34 1.06 0.00 0.00 176.91 179.37 2k60 s ASP 76 N -6.98 6.31 0.18 1.22 2.15 -0.49 -3.42 116.67 115.64 2k60 s ASP 76 Ca -0.15 -0.01 -0.13 0.00 0.43 0.00 0.00 52.55 52.69 2k60 s ASP 76 Cb 0.06 -2.26 0.17 0.00 -0.30 0.00 0.00 42.92 40.59 2k60 s ASP 76 CO 0.82 -0.46 1.75 -0.78 -0.17 0.00 0.00 175.17 176.33 2k60 h ASP 77 N 8.43 0.19 0.40 -0.34 1.82 -1.78 -2.34 116.42 122.80 2k60 h ASP 77 Ca -0.28 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.42 2k60 h ASP 77 Cb 1.13 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.18 2k60 h ASP 77 CO 0.76 0.14 -0.55 -0.90 -1.61 0.00 0.00 179.24 177.08 2k60 n ASP 78 N -5.00 0.64 -3.62 2.28 5.75 -1.26 -1.55 116.55 113.79 2k60 n ASP 78 Ca 0.05 -0.43 -0.24 0.00 -0.01 0.00 0.00 54.79 54.15 2k60 n ASP 78 Cb 0.20 0.35 0.04 0.00 -1.03 0.00 0.00 41.12 40.68 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 -1.40 -2.33 1.15 2.12 0.00 -0.88 -4.26 120.51 114.91 2k60 n ALA 79 Ca 0.06 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.42 2k60 n ALA 79 Cb 0.34 -3.58 0.19 0.00 0.00 0.00 0.00 19.45 16.40 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 -2.93 1.49 0.00 0.00 6.94 -1.26 -4.83 115.26 114.66 2k60 n ASN 80 Ca -0.17 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 2k60 n ASN 80 Cb 0.63 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 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 0.98 0.94 3.20 4.83 0.00 -1.26 -5.01 105.19 108.87 2k60 n GLY 81 Ca 0.11 0.00 -0.13 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 -1.74 -0.35 -0.10 1.61 1.47 -1.26 -0.68 116.67 115.63 2k60 s ASP 82 Ca 0.00 0.66 -0.21 0.00 1.18 0.00 0.00 52.55 54.18 2k60 s ASP 82 Cb 0.00 0.64 -0.04 0.00 -0.34 0.00 0.00 42.92 43.18 2k60 s ASP 82 CO 0.00 -0.13 0.58 0.68 0.68 0.00 0.00 175.17 176.99 2k60 s VAL 83 N 0.44 5.12 0.23 2.11 -7.23 0.83 -4.86 120.40 117.04 2k60 s VAL 83 Ca -0.02 1.19 0.04 0.00 -1.81 0.00 0.00 61.98 61.38 2k60 s VAL 83 Cb -0.04 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 32.95 2k60 s VAL 83 CO -0.02 0.29 0.35 -0.62 -0.31 0.00 0.00 175.10 174.78 2k60 s ASP 84 N 0.72 6.32 0.51 4.85 2.15 -1.26 -2.60 116.67 127.36 2k60 s ASP 84 Ca 0.31 0.09 0.26 0.00 0.43 0.00 0.00 52.55 53.65 2k60 s ASP 84 Cb -0.16 -1.87 1.36 0.00 -0.30 0.00 0.00 42.92 41.94 2k60 s ASP 84 CO 0.14 -0.05 1.93 -0.37 -0.17 0.00 0.00 175.17 176.65 2k60 h VAL 85 N 1.25 0.66 0.09 1.11 -1.51 -1.97 0.82 116.25 116.69 2k60 h VAL 85 Ca -0.51 -0.03 -0.25 0.00 -1.23 0.00 0.00 66.70 64.67 2k60 h VAL 85 Cb 1.22 0.56 -0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2k60 h VAL 85 CO 0.62 0.02 -1.16 -0.33 -1.23 0.00 0.00 177.57 175.49 2k60 h GLU 86 N 0.09 0.21 0.07 5.19 4.39 -2.00 -3.20 114.58 119.33 2k60 h GLU 86 Ca 0.36 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2k60 h GLU 86 Cb 1.29 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 2k60 h GLU 86 CO -0.04 1.15 -0.03 0.93 -1.16 0.00 0.00 179.01 179.86 2k60 h GLU 87 N 0.06 -0.09 -0.00 2.33 5.08 -1.24 -3.33 114.58 117.40 2k60 h GLU 87 Ca -0.10 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2k60 h GLU 87 Cb 1.89 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.16 2k60 h GLU 87 CO 0.18 0.43 -0.01 -1.13 -1.00 0.00 0.00 179.01 177.49 2k60 n SER 88 N -4.79 0.43 -0.37 1.42 3.41 -0.55 -4.46 113.62 108.72 2k60 n SER 88 Ca -0.07 -1.06 -0.08 0.00 -0.26 0.00 0.00 58.87 57.40 2k60 n SER 88 Cb 0.28 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.67 -1.83 0.38 4.04 3.58 -1.66 0.06 116.42 121.66 2k60 h ASP 89 Ca 0.00 0.31 -0.32 0.00 0.42 0.00 0.00 57.03 57.44 2k60 h ASP 89 Cb 0.17 0.85 0.02 0.00 1.72 0.00 0.00 39.33 42.09 2k60 h ASP 89 CO 0.00 -0.27 -1.47 1.05 -2.88 0.00 0.00 179.24 175.67 2k60 h GLU 90 N -0.05 0.40 0.26 0.28 4.11 -1.89 -3.39 114.58 114.30 2k60 h GLU 90 Ca 0.22 -0.69 -0.00 0.00 0.07 0.00 0.00 59.36 58.96 2k60 h GLU 90 Cb 0.50 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2k60 h GLU 90 CO -0.91 1.31 -0.37 0.74 0.07 0.00 0.00 179.01 179.86 2k60 h PHE 91 N 0.11 -1.04 -0.43 2.06 0.04 -1.36 -1.70 116.94 114.61 2k60 h PHE 91 Ca -0.24 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.60 2k60 h PHE 91 Cb 2.08 0.42 -0.05 0.00 2.20 0.00 0.00 35.95 40.61 2k60 h PHE 91 CO 0.10 -0.46 0.15 1.25 -0.60 0.00 0.00 178.31 178.75 2k60 h LEU 92 N -0.66 0.16 0.09 1.54 5.85 -1.29 0.18 115.31 121.17 2k60 h LEU 92 Ca -0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2k60 h LEU 92 Cb 0.60 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2k60 h LEU 92 CO -0.11 0.13 -0.25 0.03 -0.34 0.00 0.00 178.44 177.90 2k60 h ARG 93 N 0.32 -0.37 0.24 1.25 3.08 -1.69 -1.20 114.38 116.02 2k60 h ARG 93 Ca 0.20 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 2k60 h ARG 93 Cb 0.19 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2k60 h ARG 93 CO -0.20 -0.24 -0.12 0.93 -1.07 0.00 0.00 179.97 179.27 2k60 h GLU 94 N -0.38 -0.32 -0.84 0.04 4.39 -1.21 0.98 114.58 117.24 2k60 h GLU 94 Ca -0.01 0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.89 2k60 h GLU 94 Cb 0.37 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 2k60 h GLU 94 CO -0.12 -0.03 0.56 0.22 -1.16 0.00 0.00 179.01 178.48 2k60 h ASP 95 N -1.00 0.40 0.00 1.42 3.58 -0.64 -1.70 116.42 118.48 2k60 h ASP 95 Ca -0.03 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k60 h ASP 95 Cb 0.43 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2k60 h ASP 95 CO 0.05 0.18 -0.06 0.00 -2.88 0.00 0.00 179.24 176.54 2k60 n LEU 96 N -4.49 0.00 -0.27 2.28 -0.00 -0.86 -4.78 117.00 108.88 2k60 n LEU 96 Ca 0.17 -0.02 0.10 0.00 -0.00 0.00 0.00 56.01 56.26 2k60 n LEU 96 Cb 0.63 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.99 2k60 n LEU 96 CO 0.32 0.00 0.15 -3.20 -0.00 0.00 0.00 177.39 174.65 2k60 n ASN 97 N -0.13 1.54 0.00 1.45 4.05 -0.05 -4.85 115.26 117.28 2k60 n ASN 97 Ca 0.00 -1.27 0.00 0.00 0.45 0.00 0.00 54.58 53.76 2k60 n ASN 97 Cb 0.00 0.71 0.00 0.00 1.23 0.00 0.00 39.78 41.72 2k60 n ASN 97 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k60 n TYR 98 N -0.66 0.00 0.00 1.20 4.11 0.32 -3.78 117.16 118.35 2k60 n TYR 98 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.97 2k60 n TYR 98 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 2k60 n TYR 98 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 2k60 n HIS 99 N 0.00 0.00 -4.10 -3.48 -0.00 -1.26 -4.45 115.22 101.93 2k60 n HIS 99 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 2k60 n HIS 99 Cb 0.00 -0.12 -0.13 0.00 -0.00 0.00 0.00 29.99 29.74 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 -3.32 0.64 0.00 0.26 -4.77 -1.25 -4.76 116.67 103.48 2k60 s ASP 100 Ca 0.00 -0.27 0.25 0.00 -3.30 0.00 0.00 52.55 49.23 2k60 s ASP 100 Cb 0.00 -0.02 0.89 0.00 -1.09 0.00 0.00 42.92 42.70 2k60 s ASP 100 CO 0.00 -0.05 1.64 -0.81 0.70 0.00 0.00 175.17 176.65 2k60 n PRO 101 N 2.36 1.72 -0.15 2.11 -0.04 -1.26 -4.17 135.00 135.58 2k60 n PRO 101 Ca -0.17 -1.07 0.04 0.00 -0.04 0.00 0.00 63.50 62.26 2k60 n PRO 101 Cb 0.57 -1.44 0.34 0.00 -0.04 0.00 0.00 33.50 32.93 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 2.38 1.10 0.43 0.52 2.02 -1.98 0.28 112.91 117.66 2k60 h THR 102 Ca 0.00 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2k60 h THR 102 Cb 0.51 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2k60 h THR 102 CO 0.00 0.14 -0.37 0.58 0.37 0.00 0.00 175.52 176.24 2k60 h VAL 103 N 0.79 0.24 -0.20 3.16 2.07 -1.99 -0.29 116.25 120.03 2k60 h VAL 103 Ca 0.26 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.69 2k60 h VAL 103 Cb 0.06 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2k60 h VAL 103 CO -0.07 0.00 -0.24 0.11 0.02 0.00 0.00 177.57 177.39 2k60 h LYS 104 N -0.80 0.51 0.48 1.57 1.79 -1.63 -1.07 116.57 117.42 2k60 h LYS 104 Ca -0.04 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.13 2k60 h LYS 104 Cb 0.70 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 2k60 h LYS 104 CO -0.03 0.88 -0.37 0.45 -1.08 0.00 0.00 179.45 179.30 2k60 h HIS 105 N 0.18 -0.98 0.00 -1.35 3.86 -0.46 -0.13 115.15 116.26 2k60 h HIS 105 Ca 0.03 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 2k60 h HIS 105 Cb 0.80 0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 2k60 h HIS 105 CO 0.08 -0.54 -0.40 0.77 0.86 0.00 0.00 177.93 178.70 2k60 h SER 106 N -0.83 0.00 -0.17 2.45 0.02 -1.12 -0.91 113.55 112.98 2k60 h SER 106 Ca -0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 2k60 h SER 106 Cb 0.71 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 2k60 h SER 106 CO 0.00 0.40 -0.18 0.74 -1.14 0.00 0.00 176.83 176.66 2k60 h THR 107 N 0.00 1.34 0.28 -2.27 2.02 -1.07 -2.71 112.91 110.50 2k60 h THR 107 Ca -0.00 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 2k60 h THR 107 Cb 0.99 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2k60 h THR 107 CO 0.05 0.40 -0.13 0.15 0.37 0.00 0.00 175.52 176.36 2k60 h PHE 108 N 0.07 -0.35 0.08 3.16 3.57 -0.78 -3.39 116.94 119.30 2k60 h PHE 108 Ca 0.03 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2k60 h PHE 108 Cb 0.72 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2k60 h PHE 108 CO 0.08 -0.22 -0.04 1.25 -2.23 0.00 0.00 178.31 177.16 2k60 h HIS 109 N -1.05 -0.10 0.00 0.41 2.76 -1.36 -3.47 115.15 112.34 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 0.29 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.28 2k60 h HIS 109 CO 0.00 0.38 0.00 0.41 -1.30 0.00 0.00 177.93 177.42 2k60 n GLY 110 N 1.20 2.24 1.03 5.26 0.00 -1.02 -4.49 105.19 109.41 2k60 n GLY 110 Ca -0.06 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.62 2k60 n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k60 n GLU 111 N 0.00 2.42 -0.46 1.61 2.13 -1.26 -4.93 120.64 120.15 2k60 n GLU 111 Ca 0.00 -2.21 0.00 0.00 0.66 0.00 0.00 57.16 55.61 2k60 n GLU 111 Cb 0.00 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.26 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 1.26 0.00 0.00 4.31 -0.08 -1.26 -5.07 116.55 115.71 2k60 n ASP 112 Ca 0.18 -0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 2k60 n ASP 112 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 0.00 -0.01 -2.34 -0.67 4.76 -1.26 -4.45 118.16 114.19 2k60 n LYS 113 Ca 0.00 -0.49 -0.42 0.00 -2.87 0.00 0.00 58.31 54.53 2k60 n LYS 113 Cb 0.00 -0.79 -0.03 0.00 -1.84 0.00 0.00 35.03 32.37 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 -0.14 4.31 -0.34 -0.35 1.43 -1.26 -4.76 118.68 117.57 2k60 s LEU 114 Ca 0.00 1.99 -0.09 0.00 -1.03 0.00 0.00 54.13 55.00 2k60 s LEU 114 Cb 0.00 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.68 2k60 s LEU 114 CO 0.00 -0.64 0.15 -0.63 0.23 0.00 0.00 176.35 175.46 2k60 s ILE 115 N 2.15 4.27 -0.03 -0.59 -1.09 -1.07 -4.54 121.20 120.30 2k60 s ILE 115 Ca 0.60 -0.81 0.06 0.00 -2.23 0.00 0.00 60.65 58.27 2k60 s ILE 115 Cb -0.29 -3.31 -0.02 0.00 -1.58 0.00 0.00 42.46 37.26 2k60 s ILE 115 CO 0.25 -0.10 -0.19 -0.94 -1.23 0.00 0.00 174.94 172.73 2k60 s SER 116 N 1.52 3.65 0.28 3.58 1.04 -1.26 -0.12 113.70 122.39 2k60 s SER 116 Ca 0.02 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.11 2k60 s SER 116 Cb -0.18 -0.64 0.40 0.00 0.10 0.00 0.00 66.02 65.70 2k60 s SER 116 CO 0.05 0.33 1.89 -0.37 0.98 0.00 0.00 173.24 176.11 2k60 h VAL 117 N 4.35 1.22 -0.18 5.02 -1.51 -1.30 0.42 116.25 124.28 2k60 h VAL 117 Ca -0.45 -0.62 -0.10 0.00 -1.23 0.00 0.00 66.70 64.29 2k60 h VAL 117 Cb 1.14 0.34 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2k60 h VAL 117 CO 0.49 0.26 -0.30 1.05 -1.23 0.00 0.00 177.57 177.84 2k60 h GLU 118 N 0.97 0.52 -0.32 5.19 4.11 -1.96 0.72 114.58 123.81 2k60 h GLU 118 Ca 0.24 -0.32 -0.08 0.00 0.07 0.00 0.00 59.36 59.27 2k60 h GLU 118 Cb 0.10 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2k60 h GLU 118 CO -0.03 0.92 -0.15 -0.44 0.07 0.00 0.00 179.01 179.38 2k60 h ASP 119 N 0.16 0.55 -0.30 3.06 5.19 -1.87 -0.14 116.42 123.08 2k60 h ASP 119 Ca 0.01 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.23 2k60 h ASP 119 Cb 0.88 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 2k60 h ASP 119 CO 0.07 0.72 0.04 -0.07 -3.12 0.00 0.00 179.24 176.88 2k60 h LEU 120 N 0.51 0.48 -0.41 1.55 3.38 -0.84 0.95 115.31 120.93 2k60 h LEU 120 Ca 0.09 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.87 2k60 h LEU 120 Cb 0.56 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2k60 h LEU 120 CO 0.04 0.63 -0.08 -0.25 0.09 0.00 0.00 178.44 178.87 2k60 h TRP 121 N 0.31 -0.17 0.01 1.13 2.91 0.05 0.50 115.95 120.69 2k60 h TRP 121 Ca 0.09 0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.15 2k60 h TRP 121 Cb 0.36 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.14 2k60 h TRP 121 CO 0.03 -0.16 -0.04 0.87 -1.03 0.00 0.00 178.44 178.11 2k60 h LYS 122 N 0.02 -0.06 -0.18 2.65 6.56 -0.89 -1.58 116.57 123.09 2k60 h LYS 122 Ca 0.20 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.79 2k60 h LYS 122 Cb 0.30 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 2k60 h LYS 122 CO -0.40 -0.04 0.11 0.00 -2.06 0.00 0.00 179.45 177.05 2k60 h ALA 123 N 0.92 0.24 -0.59 3.86 0.00 -0.16 -2.27 119.26 121.25 2k60 h ALA 123 Ca 0.01 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2k60 h ALA 123 Cb 0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2k60 h ALA 123 CO -0.03 -0.25 0.28 2.35 0.00 0.00 0.00 179.25 181.59 2k60 h TRP 124 N 0.22 0.50 0.00 0.00 7.01 0.07 0.57 115.95 124.31 2k60 h TRP 124 Ca 0.07 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 2k60 h TRP 124 Cb 0.03 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 2k60 h TRP 124 CO -0.05 0.21 -0.17 0.87 -2.79 0.00 0.00 178.44 176.50 2k60 h LYS 125 N 0.51 0.00 0.00 2.65 1.57 -1.05 -2.31 116.57 117.94 2k60 h LYS 125 Ca 0.27 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 2k60 h LYS 125 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2k60 h LYS 125 CO -0.22 0.17 -1.32 1.03 -0.57 0.00 0.00 179.45 178.55 2k60 h SER 126 N 0.00 0.00 -4.14 0.86 0.87 -0.56 -3.43 113.55 107.15 2k60 h SER 126 Ca -0.00 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.09 2k60 h SER 126 Cb 0.36 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 62.46 2k60 h SER 126 CO 0.02 0.64 0.28 -0.44 -0.53 0.00 0.00 176.83 176.80 2k60 s SER 127 N -5.95 3.59 0.54 6.23 0.01 0.18 -4.91 113.70 113.40 2k60 s SER 127 Ca -0.02 1.24 0.31 0.00 1.31 0.00 0.00 55.95 58.79 2k60 s SER 127 Cb 0.08 -1.90 1.49 0.00 0.21 0.00 0.00 66.02 65.90 2k60 s SER 127 CO 0.81 -2.53 2.05 -0.33 0.41 0.00 0.00 173.24 173.65 2k60 h GLU 128 N -1.48 0.00 0.13 12.44 5.08 -1.89 -3.21 114.58 125.65 2k60 h GLU 128 Ca -0.50 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2k60 h GLU 128 Cb 1.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 2k60 h GLU 128 CO 0.58 0.09 -0.41 0.28 -1.00 0.00 0.00 179.01 178.55 2k60 h VAL 129 N 0.00 0.00 0.00 3.13 2.07 -1.90 0.79 116.25 120.34 2k60 h VAL 129 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2k60 h VAL 129 Cb 0.40 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2k60 h VAL 129 CO 0.01 0.00 -0.13 0.22 0.02 0.00 0.00 177.57 177.69 2k60 h TYR 130 N -0.61 0.00 -0.25 1.57 3.20 -1.53 -1.84 116.97 117.51 2k60 h TYR 130 Ca -0.01 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 2k60 h TYR 130 Cb 0.60 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2k60 h TYR 130 CO -0.40 0.13 -0.36 -0.97 -1.64 0.00 0.00 178.16 174.92 2k60 h ASN 131 N 0.00 0.57 -2.08 -2.11 -1.24 -1.44 -3.41 115.58 105.87 2k60 h ASN 131 Ca -0.00 -0.24 -0.58 0.00 0.71 0.00 0.00 56.30 56.19 2k60 h ASN 131 Cb 0.62 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 39.52 2k60 h ASN 131 CO 0.02 0.88 1.28 0.79 -1.29 0.00 0.00 177.43 179.11 2k60 n TRP 132 N -4.05 2.26 -1.58 0.67 8.01 0.21 -4.91 117.44 118.05 2k60 n TRP 132 Ca -0.01 -0.17 -0.20 0.00 -1.31 0.00 0.00 57.50 55.80 2k60 n TRP 132 Cb 0.49 -2.73 0.14 0.00 -2.01 0.00 0.00 31.31 27.20 2k60 n TRP 132 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.69 174.31 2k60 n THR 133 N 6.13 0.00 -0.22 -0.99 5.66 -1.26 -0.60 114.28 123.00 2k60 n THR 133 Ca 0.25 -0.65 -0.05 0.00 -3.05 0.00 0.00 64.05 60.55 2k60 n THR 133 Cb 0.38 -1.63 0.06 0.00 -1.55 0.00 0.00 70.33 67.58 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 -1.59 1.10 -0.63 1.08 2.07 -1.95 -0.72 116.25 115.61 2k60 h VAL 134 Ca -0.29 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.00 2k60 h VAL 134 Cb 0.82 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2k60 h VAL 134 CO 0.21 0.14 0.36 0.44 0.02 0.00 0.00 177.57 178.74 2k60 h ASP 135 N 0.77 0.56 -0.19 0.57 3.32 -1.93 0.29 116.42 119.80 2k60 h ASP 135 Ca 0.24 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 2k60 h ASP 135 Cb -0.01 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2k60 h ASP 135 CO -0.09 0.37 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.42 2k60 h GLU 136 N 0.69 0.38 -0.25 3.56 4.39 -1.76 -1.69 114.58 119.90 2k60 h GLU 136 Ca 0.27 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 2k60 h GLU 136 Cb 0.11 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2k60 h GLU 136 CO -0.15 0.64 -0.19 -0.24 -1.16 0.00 0.00 179.01 177.92 2k60 h VAL 137 N 0.09 1.24 0.13 3.13 3.04 -0.88 -0.37 116.25 122.63 2k60 h VAL 137 Ca 0.05 -1.11 -0.01 0.00 -1.01 0.00 0.00 66.70 64.62 2k60 h VAL 137 Cb 0.51 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2k60 h VAL 137 CO 0.02 0.36 -0.06 0.58 -1.01 0.00 0.00 177.57 177.45 2k60 h VAL 138 N 0.41 0.91 -0.08 1.51 2.07 -0.73 0.54 116.25 120.87 2k60 h VAL 138 Ca 0.07 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 2k60 h VAL 138 Cb 0.56 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2k60 h VAL 138 CO 0.04 0.04 -0.33 0.06 0.02 0.00 0.00 177.57 177.39 2k60 h GLN 139 N -0.25 0.16 -0.13 1.57 3.07 -1.08 -1.58 115.11 116.88 2k60 h GLN 139 Ca -0.02 -0.06 -0.09 0.00 0.09 0.00 0.00 58.65 58.57 2k60 h GLN 139 Cb 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.75 2k60 h GLN 139 CO 0.03 0.48 -0.29 2.35 0.09 0.00 0.00 178.83 181.49 2k60 h TRP 140 N 0.14 0.53 -0.25 0.06 2.91 -0.69 -1.41 115.95 117.25 2k60 h TRP 140 Ca 0.02 -0.20 -0.00 0.00 1.13 0.00 0.00 58.89 59.84 2k60 h TRP 140 Cb 0.66 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.21 2k60 h TRP 140 CO 0.01 0.91 0.16 1.37 -1.03 0.00 0.00 178.44 179.85 2k60 h LEU 141 N 0.01 0.30 -0.20 0.65 8.10 0.30 0.51 115.31 124.98 2k60 h LEU 141 Ca -0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 2k60 h LEU 141 Cb 0.89 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 41.03 2k60 h LEU 141 CO 0.06 0.25 -0.02 0.16 -4.11 0.00 0.00 178.44 174.79 2k60 h ILE 142 N 0.32 1.27 0.00 0.15 3.07 -1.28 0.59 117.51 121.63 2k60 h ILE 142 Ca 0.09 -0.93 -0.01 0.00 1.55 0.00 0.00 64.86 65.57 2k60 h ILE 142 Cb 0.00 1.49 -0.00 0.00 -0.27 0.00 0.00 36.82 38.04 2k60 h ILE 142 CO -0.02 0.28 -0.05 0.00 -1.05 0.00 0.00 178.15 177.32 2k60 h THR 143 N 0.10 0.14 0.00 0.16 1.03 -1.05 -0.46 112.91 112.82 2k60 h THR 143 Ca 0.05 -0.56 -0.20 0.00 -0.01 0.00 0.00 66.41 65.69 2k60 h THR 143 Cb 0.43 1.49 -0.03 0.00 -1.07 0.00 0.00 68.15 68.97 2k60 h THR 143 CO 0.01 0.05 -1.54 -1.22 -0.01 0.00 0.00 175.52 172.81 2k60 n TYR 144 N -3.19 0.00 0.87 0.00 4.01 0.15 -4.69 117.16 114.32 2k60 n TYR 144 Ca -0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 2k60 n TYR 144 Cb 0.30 -0.53 0.20 0.00 -0.31 0.00 0.00 39.34 39.00 2k60 n TYR 144 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 2k60 n VAL 145 N -3.90 0.09 -2.21 -0.72 3.14 0.20 -4.94 118.33 109.99 2k60 n VAL 145 Ca -0.26 -0.08 -0.12 0.00 -2.96 0.00 0.00 64.34 60.92 2k60 n VAL 145 Cb 0.61 0.19 -0.01 0.00 -1.06 0.00 0.00 33.84 33.57 2k60 n VAL 145 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2k60 n GLU 146 N -1.67 -0.99 -3.20 1.45 1.02 -0.18 -4.97 120.64 112.10 2k60 n GLU 146 Ca 0.05 0.61 -0.44 0.00 -0.02 0.00 0.00 57.16 57.36 2k60 n GLU 146 Cb 0.37 -4.80 -0.06 0.00 -0.02 0.00 0.00 31.44 26.93 2k60 n GLU 146 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k60 s LEU 147 N -3.55 5.27 0.00 -4.62 2.01 -1.26 -4.91 118.68 111.62 2k60 s LEU 147 Ca 0.00 -1.17 0.04 0.00 0.01 0.00 0.00 54.13 53.01 2k60 s LEU 147 Cb 0.00 -2.35 0.23 0.00 0.01 0.00 0.00 46.19 44.08 2k60 s LEU 147 CO 0.00 -0.90 1.09 -2.65 1.01 0.00 0.00 176.35 174.91 2k60 n PRO 148 N 5.96 0.94 -0.07 1.29 -0.02 -1.26 -3.37 135.00 138.47 2k60 n PRO 148 Ca -0.09 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.42 2k60 n PRO 148 Cb 0.44 -1.06 0.09 0.00 -0.02 0.00 0.00 33.50 32.94 2k60 n PRO 148 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2k60 n GLN 149 N -0.56 1.33 -0.32 -0.52 -0.06 -1.26 -4.41 117.38 111.57 2k60 n GLN 149 Ca 0.03 -0.52 0.03 0.00 -2.00 0.00 0.00 57.00 54.54 2k60 n GLN 149 Cb 0.01 -1.12 0.18 0.00 -4.06 0.00 0.00 30.24 25.24 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 0.85 1.01 0.20 3.69 -0.00 -1.95 -0.94 116.97 119.83 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 0.19 -0.32 0.00 0.00 -0.00 0.00 0.00 36.73 36.61 2k60 h TYR 150 CO 0.09 0.46 -0.09 1.49 -0.00 0.00 0.00 178.16 180.11 2k60 h GLU 151 N 0.95 -0.25 -0.32 0.10 4.81 -1.92 0.18 114.58 118.12 2k60 h GLU 151 Ca 0.42 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 2k60 h GLU 151 Cb 0.30 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2k60 h GLU 151 CO -0.22 -0.14 0.18 0.93 -0.73 0.00 0.00 179.01 179.03 2k60 h GLU 152 N -0.30 0.45 -0.30 1.92 5.08 -1.77 -1.35 114.58 118.31 2k60 h GLU 152 Ca -0.03 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2k60 h GLU 152 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2k60 h GLU 152 CO 0.04 0.37 -0.26 0.00 -1.00 0.00 0.00 179.01 178.16 2k60 h THR 153 N 0.40 1.30 -0.34 1.13 1.03 -1.01 0.67 112.91 116.10 2k60 h THR 153 Ca 0.11 -1.42 -0.10 0.00 -0.01 0.00 0.00 66.41 64.99 2k60 h THR 153 Cb 0.05 1.55 -0.01 0.00 -1.07 0.00 0.00 68.15 68.67 2k60 h THR 153 CO -0.02 0.46 -0.22 2.19 -0.01 0.00 0.00 175.52 177.92 2k60 h PHE 154 N 0.45 0.75 0.00 0.00 -5.15 -0.57 0.45 116.94 112.87 2k60 h PHE 154 Ca 0.05 -0.16 -0.07 0.00 -0.20 0.00 0.00 57.97 57.59 2k60 h PHE 154 Cb 0.83 -0.18 -0.01 0.00 0.22 0.00 0.00 35.95 36.81 2k60 h PHE 154 CO 0.07 0.83 -0.34 0.07 -2.00 0.00 0.00 178.31 176.94 2k60 h ARG 155 N 0.58 0.00 0.02 6.09 0.11 -1.08 0.18 114.38 120.29 2k60 h ARG 155 Ca 0.09 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.16 2k60 h ARG 155 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 2k60 h ARG 155 CO 0.05 0.34 -0.01 0.87 0.10 0.00 0.00 179.97 181.32 2k60 h LYS 156 N 0.00 -0.03 0.00 0.08 1.79 0.06 -3.42 116.57 115.05 2k60 h LYS 156 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k60 h LYS 156 Cb 0.94 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2k60 h LYS 156 CO 0.04 0.72 -0.10 1.47 -1.08 0.00 0.00 179.45 180.51 2k60 n LEU 157 N -4.72 0.00 -2.80 2.94 -0.00 0.06 -5.08 117.00 107.41 2k60 n LEU 157 Ca -0.09 -0.42 -0.00 0.00 -0.00 0.00 0.00 56.01 55.50 2k60 n LEU 157 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2k60 n LEU 157 CO 0.31 0.00 -0.50 0.00 -0.00 0.00 0.00 177.39 177.20 2k60 n GLN 158 N -0.98 -3.00 -3.34 1.47 6.02 0.65 -5.00 117.38 113.19 2k60 n GLN 158 Ca 0.00 2.48 -0.27 0.00 -0.01 0.00 0.00 57.00 59.21 2k60 n GLN 158 Cb 0.00 -4.63 -0.02 0.00 1.02 0.00 0.00 30.24 26.61 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 -1.49 4.03 0.00 1.08 2.34 -1.26 -4.86 118.68 118.52 2k60 s LEU 159 Ca -0.01 0.60 0.00 0.00 0.06 0.00 0.00 54.13 54.78 2k60 s LEU 159 Cb 0.00 -3.43 0.00 0.00 -0.56 0.00 0.00 46.19 42.20 2k60 s LEU 159 CO 0.65 -0.24 0.00 -1.54 -1.06 0.00 0.00 176.35 174.16 2k60 n SER 160 N -1.31 0.00 0.30 1.48 3.41 -1.26 -3.72 113.62 112.53 2k60 n SER 160 Ca -0.03 -0.15 0.18 0.00 -0.26 0.00 0.00 58.87 58.61 2k60 n SER 160 Cb 0.55 0.00 0.97 0.00 -0.26 0.00 0.00 64.21 65.47 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 1.47 5.00 0.00 -0.93 0.29 103.07 108.90 2k60 h GLY 161 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 2k60 h GLY 161 CO 0.00 0.00 -1.37 0.84 0.00 0.00 0.00 176.54 176.01 2k60 h HIS 162 N 0.00 0.32 -0.03 5.60 -0.00 -1.83 -3.30 115.15 115.92 2k60 h HIS 162 Ca -0.00 -0.23 -0.14 0.00 -0.00 0.00 0.00 60.37 59.99 2k60 h HIS 162 Cb 0.13 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 2k60 h HIS 162 CO 0.00 1.24 -0.65 0.00 -0.00 0.00 0.00 177.93 178.52 2k60 h ALA 163 N 0.67 0.87 -0.64 5.26 0.00 -1.46 -2.32 119.26 121.63 2k60 h ALA 163 Ca -0.17 -0.58 0.09 0.00 0.00 0.00 0.00 54.91 54.25 2k60 h ALA 163 Cb 1.95 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.54 2k60 h ALA 163 CO 0.16 0.78 -0.45 0.52 0.00 0.00 0.00 179.25 180.26 2k60 h MET 164 N 0.08 -0.19 -0.28 0.00 2.86 -0.57 0.87 114.93 117.70 2k60 h MET 164 Ca -0.01 0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 2k60 h MET 164 Cb 1.16 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2k60 h MET 164 CO 0.09 -0.13 -0.51 -1.00 1.06 0.00 0.00 176.91 176.42 2k60 h PRO 165 N -0.19 0.84 0.00 -0.22 0.13 -1.72 -2.36 132.00 128.47 2k60 h PRO 165 Ca 0.19 -0.53 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 2k60 h PRO 165 Cb 0.56 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 2k60 h PRO 165 CO -0.73 1.16 -0.05 0.07 -0.23 0.00 0.00 178.00 178.22 2k60 h ARG 166 N 0.62 0.00 0.00 0.86 -0.00 -0.58 -1.54 114.38 113.74 2k60 h ARG 166 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.00 2k60 h ARG 166 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.09 2k60 h ARG 166 CO 0.12 0.05 -0.89 1.47 -0.00 0.00 0.00 179.97 180.71 2k60 n LEU 167 N -3.81 0.67 0.05 0.08 -0.00 0.29 -4.08 117.00 110.20 2k60 n LEU 167 Ca -0.03 -0.14 0.11 0.00 -0.00 0.00 0.00 56.01 55.95 2k60 n LEU 167 Cb 0.14 -0.11 0.45 0.00 -0.00 0.00 0.00 43.42 43.90 2k60 n LEU 167 CO 0.29 0.12 0.84 0.00 -0.00 0.00 0.00 177.39 178.64 2k60 n ALA 168 N -1.66 1.93 -3.95 1.47 0.00 -0.58 -4.55 120.51 113.19 2k60 n ALA 168 Ca 0.03 -0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 2k60 n ALA 168 Cb 0.38 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.31 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 -3.09 2.42 0.20 0.00 0.11 -1.24 -4.25 120.40 114.56 2k60 s VAL 169 Ca 0.09 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 2k60 s VAL 169 Cb 0.12 -2.05 0.00 0.00 -1.53 0.00 0.00 36.38 32.93 2k60 s VAL 169 CO 0.42 0.51 0.00 0.35 -3.33 0.00 0.00 175.10 173.04 2k60 n THR 170 N 4.67-12.54 0.06 5.04 -2.24 -1.26 -4.62 114.28 103.38 2k60 n THR 170 Ca -0.20 3.16 0.03 0.00 -2.27 0.00 0.00 64.05 64.77 2k60 n THR 170 Cb 0.50 -5.23 0.42 0.00 -2.10 0.00 0.00 70.33 63.92 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 3.95 0.36 -0.87 3.42 -1.07 -1.87 -2.17 115.58 117.33 2k60 h ASN 171 Ca 0.00 -0.03 0.06 0.00 0.07 0.00 0.00 56.30 56.40 2k60 h ASN 171 Cb 0.00 -0.09 -0.06 0.00 -2.07 0.00 0.00 38.32 36.10 2k60 h ASN 171 CO 0.00 0.35 0.57 0.74 0.07 0.00 0.00 177.43 179.16 2k60 h THR 172 N 0.41 1.07 -0.27 6.14 2.02 -1.91 0.37 112.91 120.73 2k60 h THR 172 Ca 0.10 -0.34 -0.18 0.00 0.77 0.00 0.00 66.41 66.76 2k60 h THR 172 Cb 0.11 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2k60 h THR 172 CO -0.01 0.18 -0.55 0.74 0.37 0.00 0.00 175.52 176.25 2k60 h THR 173 N 0.98 1.28 0.11 3.16 2.02 -1.65 -3.27 112.91 115.54 2k60 h THR 173 Ca 0.37 -1.73 -0.27 0.00 0.77 0.00 0.00 66.41 65.55 2k60 h THR 173 Cb 0.19 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2k60 h THR 173 CO -0.13 0.56 -1.24 -0.03 0.37 0.00 0.00 175.52 175.05 2k60 h MET 174 N 0.62 0.23 -6.38 6.66 1.85 -1.42 -3.46 114.93 113.03 2k60 h MET 174 Ca 0.01 -0.39 -0.54 0.00 -0.61 0.00 0.00 59.70 58.17 2k60 h MET 174 Cb 1.16 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 33.33 2k60 h MET 174 CO 0.12 1.17 0.69 -0.08 -0.40 0.00 0.00 176.91 178.42 2k60 s THR 175 N -2.66 4.03 0.07 -0.77 -1.32 0.07 -4.91 115.64 110.14 2k60 s THR 175 Ca -0.04 1.40 -0.16 0.00 -1.21 0.00 0.00 61.69 61.69 2k60 s THR 175 Cb 0.07 -3.90 -0.15 0.00 -1.51 0.00 0.00 72.50 67.01 2k60 s THR 175 CO 0.87 0.03 1.29 1.23 -2.21 0.00 0.00 174.62 175.84 2k60 h GLY 176 N 7.79 0.67 0.00 6.08 0.00 -1.88 -3.46 103.07 112.27 2k60 h GLY 176 Ca -0.37 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.09 2k60 h GLY 176 CO 0.87 0.78 0.00 2.41 0.00 0.00 0.00 176.54 180.59 2k60 n THR 177 N -4.20 0.00 -3.24 4.70 -1.04 -1.26 -5.02 114.28 104.22 2k60 n THR 177 Ca -0.07 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.76 2k60 n THR 177 Cb 0.59 -0.17 -0.07 0.00 -1.82 0.00 0.00 70.33 68.86 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 -2.00 -0.24 0.08 12.58 0.11 -1.26 -4.98 120.40 124.70 2k60 s VAL 178 Ca 0.00 -1.57 -0.09 0.00 -2.93 0.00 0.00 61.98 57.39 2k60 s VAL 178 Cb 0.00 -0.73 -0.25 0.00 -1.53 0.00 0.00 36.38 33.87 2k60 s VAL 178 CO 0.00 -0.69 1.18 0.25 -3.33 0.00 0.00 175.10 172.51 2k60 h LEU 179 N 6.12 0.67 -7.26 2.54 5.85 -1.93 -3.46 115.31 117.83 2k60 h LEU 179 Ca 0.13 -0.61 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 2k60 h LEU 179 Cb 1.02 -0.21 -0.23 0.00 0.37 0.00 0.00 40.66 41.61 2k60 h LEU 179 CO 0.22 1.43 -0.16 -0.75 -0.34 0.00 0.00 178.44 178.83 2k60 s LYS 180 N -3.00 0.57 0.09 1.25 2.20 -1.26 -4.81 119.74 114.78 2k60 s LYS 180 Ca -0.07 0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 55.83 2k60 s LYS 180 Cb 0.07 0.28 -0.15 0.00 -1.51 0.00 0.00 37.83 36.52 2k60 s LYS 180 CO 0.90 -0.08 1.66 1.98 -0.36 0.00 0.00 175.35 179.45 2k60 h MET 181 N 5.20 -0.53 -6.56 4.03 1.85 -2.00 -3.39 114.93 113.52 2k60 h MET 181 Ca -0.27 0.04 -0.56 0.00 -0.61 0.00 0.00 59.70 58.29 2k60 h MET 181 Cb 1.18 0.12 -0.06 0.00 0.43 0.00 0.00 31.60 33.27 2k60 h MET 181 CO 0.23 -0.36 1.04 0.95 -0.40 0.00 0.00 176.91 178.38 2k60 s THR 182 N -6.09 3.96 0.15 -0.77 -4.23 -1.26 -4.90 115.64 102.50 2k60 s THR 182 Ca -0.16 0.96 -0.16 0.00 -1.18 0.00 0.00 61.69 61.14 2k60 s THR 182 Cb 0.05 -4.33 0.01 0.00 1.34 0.00 0.00 72.50 69.57 2k60 s THR 182 CO 0.64 -0.88 1.80 -2.24 -0.54 0.00 0.00 174.62 173.40 2k60 h ASP 183 N 10.41 0.40 -0.23 3.99 2.03 -1.99 0.59 116.42 131.61 2k60 h ASP 183 Ca -0.26 -0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.93 2k60 h ASP 183 Cb 1.09 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 39.50 2k60 h ASP 183 CO 1.11 0.29 -0.26 0.08 -1.03 0.00 0.00 179.24 179.43 2k60 h ARG 184 N 0.48 0.58 -0.47 4.15 -0.00 -1.96 -1.47 114.38 115.69 2k60 h ARG 184 Ca 0.15 -0.32 -0.06 0.00 -0.00 0.00 0.00 59.98 59.75 2k60 h ARG 184 Cb -0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 29.94 2k60 h ARG 184 CO -0.05 0.91 0.06 1.03 -0.00 0.00 0.00 179.97 181.92 2k60 h SER 185 N 0.27 0.69 0.45 0.08 0.87 -1.93 0.95 113.55 114.94 2k60 h SER 185 Ca 0.03 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2k60 h SER 185 Cb 0.82 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2k60 h SER 185 CO 0.06 0.73 -0.22 -0.74 -0.53 0.00 0.00 176.83 176.13 2k60 h HIS 186 N 0.70 -0.57 -0.48 2.24 -0.00 -0.70 -0.21 115.15 116.14 2k60 h HIS 186 Ca 0.15 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.42 2k60 h HIS 186 Cb 0.35 0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 2k60 h HIS 186 CO 0.02 -0.28 -0.06 0.07 -0.00 0.00 0.00 177.93 177.68 2k60 h ARG 187 N -0.75 0.83 -0.32 5.26 0.11 -0.90 -0.64 114.38 117.96 2k60 h ARG 187 Ca -0.06 -0.26 -0.18 0.00 0.10 0.00 0.00 59.98 59.59 2k60 h ARG 187 Cb 0.53 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 2k60 h ARG 187 CO 0.10 0.87 -0.49 1.96 0.10 0.00 0.00 179.97 182.51 2k60 h GLN 188 N 0.76 0.90 -0.15 0.08 1.08 -0.77 0.96 115.11 117.96 2k60 h GLN 188 Ca 0.14 -0.53 -0.16 0.00 -1.45 0.00 0.00 58.65 56.65 2k60 h GLN 188 Cb 0.54 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2k60 h GLN 188 CO 0.03 1.18 -0.52 0.87 -0.95 0.00 0.00 178.83 179.43 2k60 h LYS 189 N 0.70 0.61 -0.68 1.46 6.56 -0.90 -0.37 116.57 123.96 2k60 h LYS 189 Ca 0.03 -0.47 -0.08 0.00 -1.06 0.00 0.00 60.65 59.08 2k60 h LYS 189 Cb 1.09 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.81 2k60 h LYS 189 CO 0.11 1.09 0.11 -0.07 -2.06 0.00 0.00 179.45 178.63 2k60 h LEU 190 N 0.27 1.07 -0.48 2.94 -0.00 -1.10 -1.48 115.31 116.54 2k60 h LEU 190 Ca -0.02 -0.26 -0.13 0.00 -0.00 0.00 0.00 57.88 57.47 2k60 h LEU 190 Cb 1.15 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 41.52 2k60 h LEU 190 CO 0.11 1.06 -0.23 0.06 -0.00 0.00 0.00 178.44 179.44 2k60 h GLN 191 N 1.05 1.00 0.10 1.13 3.07 -0.77 0.16 115.11 120.86 2k60 h GLN 191 Ca 0.21 -0.44 0.01 0.00 0.09 0.00 0.00 58.65 58.52 2k60 h GLN 191 Cb 0.44 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.95 2k60 h GLN 191 CO 0.01 1.11 -0.13 -0.07 0.09 0.00 0.00 178.83 179.85 2k60 h LEU 192 N 0.86 -0.34 0.04 0.06 -0.00 -0.74 0.45 115.31 115.64 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 0.81 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 2k60 h LEU 192 CO 0.07 -0.19 -0.02 0.11 -0.00 0.00 0.00 178.44 178.41 2k60 h LYS 193 N -0.27 -0.06 -0.37 1.13 6.56 -1.24 -1.65 116.57 120.68 2k60 h LYS 193 Ca 0.01 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.47 2k60 h LYS 193 Cb 0.27 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 2k60 h LYS 193 CO -0.05 0.44 -0.30 0.00 -2.06 0.00 0.00 179.45 177.48 2k60 h ALA 194 N 0.34 0.54 -0.20 3.86 0.00 -0.63 -0.07 119.26 123.09 2k60 h ALA 194 Ca -0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 2k60 h ALA 194 Cb 0.52 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k60 h ALA 194 CO 0.01 0.57 -0.26 1.25 0.00 0.00 0.00 179.25 180.82 2k60 h LEU 195 N 0.66 0.58 -1.62 0.00 5.85 -0.18 0.43 115.31 121.02 2k60 h LEU 195 Ca 0.07 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2k60 h LEU 195 Cb 0.87 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2k60 h LEU 195 CO 0.08 0.97 0.14 -0.78 -0.34 0.00 0.00 178.44 178.50 2k60 h ASP 196 N 0.20 0.34 0.01 1.25 3.58 -1.24 -0.59 116.42 119.98 2k60 h ASP 196 Ca 0.02 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k60 h ASP 196 Cb 0.83 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2k60 h ASP 196 CO 0.06 0.30 -0.00 0.74 -2.88 0.00 0.00 179.24 177.45 2k60 h THR 197 N 0.39 1.51 0.00 2.25 2.02 -0.56 0.43 112.91 118.95 2k60 h THR 197 Ca 0.10 -1.58 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 2k60 h THR 197 Cb 0.04 2.57 -0.00 0.00 -1.74 0.00 0.00 68.15 69.02 2k60 h THR 197 CO -0.01 0.40 -0.14 -0.37 0.37 0.00 0.00 175.52 175.77 2k60 h VAL 198 N -0.69 0.59 0.00 3.16 -1.51 0.10 -0.87 116.25 117.03 2k60 h VAL 198 Ca -0.00 -0.61 -0.03 0.00 -1.23 0.00 0.00 66.70 64.82 2k60 h VAL 198 Cb 0.67 1.40 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2k60 h VAL 198 CO 0.00 0.13 -0.54 -0.07 -1.23 0.00 0.00 177.57 175.87 2k60 h LEU 199 N 0.00 0.00 0.00 4.19 3.38 -1.15 -3.41 115.31 118.33 2k60 h LEU 199 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k60 h LEU 199 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2k60 h LEU 199 CO 0.02 0.83 -0.63 0.33 0.09 0.00 0.00 178.44 179.08 2k60 n PHE 200 N -4.61 0.14 -0.98 1.13 -0.00 0.14 -4.95 117.46 108.33 2k60 n PHE 200 Ca -0.10 0.06 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 2k60 n PHE 200 Cb 0.29 -0.41 0.00 0.00 -0.00 0.00 0.00 39.48 39.36 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17