#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 -0.42 0.53 1.61 0.01 -1.26 -5.00 113.70 109.17 2k60 s SER -4 Ca 0.00 0.13 0.20 0.00 1.31 0.00 0.00 55.95 57.59 2k60 s SER -4 Cb 0.00 0.42 1.38 0.00 0.21 0.00 0.00 66.02 68.03 2k60 s SER -4 CO 0.00 -0.63 2.13 1.12 0.41 0.00 0.00 173.24 176.27 2k60 h HIS -3 N 2.18 0.00 -0.00 2.43 2.07 -2.02 0.79 115.15 120.60 2k60 h HIS -3 Ca -0.24 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.28 2k60 h HIS -3 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2k60 h HIS -3 CO 0.27 0.00 -0.10 0.00 -3.07 0.00 0.00 177.93 175.03 2k60 n MET -2 N -4.38 0.18 -0.04 5.12 -0.00 -1.26 -3.48 117.12 113.26 2k60 n MET -2 Ca -0.00 -0.04 -0.22 0.00 -0.00 0.00 0.00 57.70 57.45 2k60 n MET -2 Cb 0.21 -1.50 -0.13 0.00 -0.00 0.00 0.00 33.22 31.80 2k60 n MET -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k60 n ALA -1 N -1.38 0.90 -1.35 3.17 0.00 0.24 -4.87 120.51 117.21 2k60 n ALA -1 Ca 0.09 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.80 2k60 n ALA -1 Cb 0.31 -0.59 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 2k60 n ALA -1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k60 n SER 0 N -3.77 -4.75 0.00 0.00 2.88 -1.01 -4.85 113.62 102.12 2k60 n SER 0 Ca -0.34 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2k60 n SER 0 Cb 0.94 -3.32 0.00 0.00 -0.75 0.00 0.00 64.21 61.07 2k60 n SER 0 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k60 n SER 58 N -0.34 0.00 0.00 -3.46 7.64 -1.26 -4.95 113.62 111.24 2k60 n SER 58 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2k60 n SER 58 Cb 0.45 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2k60 n SER 58 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k60 n GLU 59 N -2.38 0.00 -3.66 1.43 -0.58 -1.26 -4.24 120.64 109.95 2k60 n GLU 59 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 2k60 n GLU 59 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.74 2k60 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2k60 s ASP 60 N 0.00 3.54 -0.41 1.62 2.15 -1.26 -4.51 116.67 117.80 2k60 s ASP 60 Ca 0.00 -2.49 -0.27 0.00 0.43 0.00 0.00 52.55 50.22 2k60 s ASP 60 Cb 0.00 -0.90 -0.04 0.00 -0.30 0.00 0.00 42.92 41.67 2k60 s ASP 60 CO 0.00 -0.28 2.14 -1.61 -0.17 0.00 0.00 175.17 175.24 2k60 s GLU 61 N 0.56 2.72 -0.10 4.34 8.01 -1.26 -4.72 118.70 128.24 2k60 s GLU 61 Ca 0.17 1.44 0.09 0.00 0.01 0.00 0.00 54.97 56.68 2k60 s GLU 61 Cb -0.24 -4.41 -0.13 0.00 -4.31 0.00 0.00 34.13 25.04 2k60 s GLU 61 CO -0.00 -2.58 0.03 1.17 0.01 0.00 0.00 175.26 173.89 2k60 n LYS 62 N 8.86 2.26 -3.21 1.61 3.00 -1.26 -4.94 118.16 124.48 2k60 n LYS 62 Ca 0.29 -0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.39 2k60 n LYS 62 Cb 0.50 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.27 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 -4.79 3.79 -0.06 3.14 2.96 -1.26 -5.04 118.68 117.42 2k60 s LEU 63 Ca -0.05 0.02 -0.26 0.00 -0.22 0.00 0.00 54.13 53.62 2k60 s LEU 63 Cb 0.03 -2.93 -0.21 0.00 0.50 0.00 0.00 46.19 43.57 2k60 s LEU 63 CO 0.43 -0.59 1.08 0.77 -1.32 0.00 0.00 176.35 176.72 2k60 h SER 64 N 0.63 -0.02 -0.59 3.68 4.64 -2.00 -3.18 113.55 116.70 2k60 h SER 64 Ca -0.46 -0.61 0.09 0.00 -0.47 0.00 0.00 61.79 60.35 2k60 h SER 64 Cb 1.26 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 2k60 h SER 64 CO 0.55 0.62 0.21 0.15 -0.87 0.00 0.00 176.83 177.48 2k60 h PHE 65 N -0.67 0.35 -0.72 4.77 3.57 -1.99 0.90 116.94 123.15 2k60 h PHE 65 Ca -0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2k60 h PHE 65 Cb 0.63 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 2k60 h PHE 65 CO 0.15 0.08 0.30 1.05 -2.23 0.00 0.00 178.31 177.65 2k60 h GLU 66 N 0.38 1.06 -0.08 1.11 4.11 -1.98 0.12 114.58 119.30 2k60 h GLU 66 Ca 0.30 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 2k60 h GLU 66 Cb 0.38 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k60 h GLU 66 CO -0.32 0.86 0.00 0.00 0.07 0.00 0.00 179.01 179.62 2k60 h ALA 67 N 1.28 0.11 -0.07 1.06 0.00 -1.22 -0.77 119.26 119.66 2k60 h ALA 67 Ca 0.24 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2k60 h ALA 67 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k60 h ALA 67 CO -0.02 -0.22 -0.05 0.28 0.00 0.00 0.00 179.25 179.24 2k60 h VAL 68 N -0.13 0.86 0.00 0.00 2.07 -0.53 -0.61 116.25 117.91 2k60 h VAL 68 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2k60 h VAL 68 Cb 0.33 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2k60 h VAL 68 CO 0.00 0.00 -0.21 0.08 0.02 0.00 0.00 177.57 177.46 2k60 h ARG 69 N -0.05 0.00 -0.11 1.57 0.11 -0.76 -1.46 114.38 113.67 2k60 h ARG 69 Ca 0.04 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 2k60 h ARG 69 Cb 0.12 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 2k60 h ARG 69 CO -0.10 0.21 0.05 -0.97 0.10 0.00 0.00 179.97 179.26 2k60 h ASN 70 N 0.00 0.16 0.26 0.08 -0.73 0.37 0.31 115.58 116.03 2k60 h ASN 70 Ca -0.00 -0.16 -0.06 0.00 1.87 0.00 0.00 56.30 57.95 2k60 h ASN 70 Cb 0.41 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.95 2k60 h ASN 70 CO 0.03 0.27 -0.28 0.40 -0.37 0.00 0.00 177.43 177.48 2k60 h ILE 71 N 0.03 1.21 -0.03 2.57 5.03 -0.63 0.18 117.51 125.87 2k60 h ILE 71 Ca 0.04 -1.00 -0.12 0.00 -0.12 0.00 0.00 64.86 63.65 2k60 h ILE 71 Cb 0.16 1.51 -0.01 0.00 -3.03 0.00 0.00 36.82 35.45 2k60 h ILE 71 CO -0.00 0.29 -0.55 0.45 -0.68 0.00 0.00 178.15 177.66 2k60 h HIS 72 N 0.04 0.13 0.00 1.37 3.86 -0.96 -2.80 115.15 116.78 2k60 h HIS 72 Ca 0.00 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 2k60 h HIS 72 Cb 0.52 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 2k60 h HIS 72 CO 0.00 0.63 -0.16 -0.22 0.86 0.00 0.00 177.93 179.04 2k60 h LYS 73 N 0.08 0.00 -0.40 2.45 1.63 0.15 -2.24 116.57 118.24 2k60 h LYS 73 Ca -0.00 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 59.91 2k60 h LYS 73 Cb 1.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.61 2k60 h LYS 73 CO 0.08 0.16 0.55 -0.07 -3.45 0.00 0.00 179.45 176.72 2k60 h LEU 74 N 0.00 0.00 0.00 5.20 4.07 -0.92 -3.10 115.31 120.56 2k60 h LEU 74 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k60 h LEU 74 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2k60 h LEU 74 CO 0.02 0.00 -0.60 0.23 -1.08 0.00 0.00 178.44 177.01 2k60 n MET 75 N -3.45 0.39 -1.77 1.13 2.81 -0.84 -4.78 117.12 110.61 2k60 n MET 75 Ca 0.07 0.31 -0.43 0.00 -1.81 0.00 0.00 57.70 55.85 2k60 n MET 75 Cb 0.71 -1.36 -0.03 0.00 -0.71 0.00 0.00 33.22 31.83 2k60 n MET 75 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k60 s ASP 76 N -5.39 5.62 0.20 7.83 2.15 -1.17 -3.70 116.67 122.21 2k60 s ASP 76 Ca -0.17 1.64 -0.08 0.00 0.43 0.00 0.00 52.55 54.36 2k60 s ASP 76 Cb 0.02 -2.52 0.13 0.00 -0.30 0.00 0.00 42.92 40.26 2k60 s ASP 76 CO 0.26 -1.87 1.72 -0.78 -0.17 0.00 0.00 175.17 174.33 2k60 h ASP 77 N 14.23 1.07 0.52 -0.34 3.58 -1.75 -2.96 116.42 130.77 2k60 h ASP 77 Ca -0.38 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2k60 h ASP 77 Cb 1.21 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2k60 h ASP 77 CO 0.99 1.03 -0.47 -0.90 -2.88 0.00 0.00 179.24 177.01 2k60 n ASP 78 N -4.23 0.49 -3.24 2.28 5.75 -1.26 -4.98 116.55 111.35 2k60 n ASP 78 Ca 0.05 -0.23 -0.17 0.00 -0.01 0.00 0.00 54.79 54.43 2k60 n ASP 78 Cb 0.26 0.21 0.01 0.00 -1.03 0.00 0.00 41.12 40.57 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 -1.48 -2.67 -0.45 2.12 0.00 -1.12 -4.92 120.51 111.98 2k60 n ALA 79 Ca 0.06 0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.99 2k60 n ALA 79 Cb 0.34 -2.30 0.22 0.00 0.00 0.00 0.00 19.45 17.70 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 -1.05 3.46 0.00 0.00 6.94 -1.26 -4.83 115.26 118.52 2k60 n ASN 80 Ca -0.04 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.20 2k60 n ASN 80 Cb 0.57 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 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 0.39 2.08 2.83 4.83 0.00 -1.26 -4.97 105.19 109.08 2k60 n GLY 81 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.23 0.10 -0.28 1.61 1.47 -1.26 -1.93 116.67 114.15 2k60 s ASP 82 Ca 0.00 0.16 -0.24 0.00 1.18 0.00 0.00 52.55 53.64 2k60 s ASP 82 Cb 0.00 0.04 -0.00 0.00 -0.34 0.00 0.00 42.92 42.62 2k60 s ASP 82 CO 0.00 -0.15 0.83 -0.69 0.68 0.00 0.00 175.17 175.84 2k60 s VAL 83 N 1.25 4.79 0.28 2.11 1.01 0.17 -4.89 120.40 125.11 2k60 s VAL 83 Ca -0.08 1.41 0.02 0.00 0.00 0.00 0.00 61.98 63.34 2k60 s VAL 83 Cb -0.12 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2k60 s VAL 83 CO -0.04 -0.19 0.45 -0.62 0.00 0.00 0.00 175.10 174.70 2k60 s ASP 84 N 1.49 6.32 0.30 3.32 2.15 -1.26 -1.47 116.67 127.52 2k60 s ASP 84 Ca 0.35 0.29 0.04 0.00 0.43 0.00 0.00 52.55 53.66 2k60 s ASP 84 Cb -0.14 -1.96 0.65 0.00 -0.30 0.00 0.00 42.92 41.17 2k60 s ASP 84 CO 0.10 -0.17 1.84 -0.37 -0.17 0.00 0.00 175.17 176.40 2k60 h VAL 85 N 1.04 0.87 0.00 1.11 -1.51 -1.97 -0.57 116.25 115.23 2k60 h VAL 85 Ca -0.50 -0.30 -0.06 0.00 -1.23 0.00 0.00 66.70 64.61 2k60 h VAL 85 Cb 1.22 -0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 2k60 h VAL 85 CO 0.62 0.16 -0.29 -0.33 -1.23 0.00 0.00 177.57 176.50 2k60 h GLU 86 N 0.89 0.00 0.02 5.19 5.08 -1.98 -2.16 114.58 121.63 2k60 h GLU 86 Ca 0.50 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.86 2k60 h GLU 86 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k60 h GLU 86 CO -0.26 0.26 -0.01 0.93 -1.00 0.00 0.00 179.01 178.93 2k60 h GLU 87 N 0.00 -0.03 -0.01 2.33 5.08 -1.52 -3.32 114.58 117.11 2k60 h GLU 87 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k60 h GLU 87 Cb 1.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k60 h GLU 87 CO 0.03 0.67 0.00 -1.13 -1.00 0.00 0.00 179.01 177.59 2k60 n SER 88 N -4.71 0.42 -0.40 1.42 3.41 -0.45 -4.22 113.62 109.10 2k60 n SER 88 Ca -0.08 -1.17 -0.06 0.00 -0.26 0.00 0.00 58.87 57.30 2k60 n SER 88 Cb 0.35 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.65 -1.80 0.09 4.04 3.58 -1.49 0.16 116.42 121.64 2k60 h ASP 89 Ca 0.00 0.32 -0.15 0.00 0.42 0.00 0.00 57.03 57.62 2k60 h ASP 89 Cb 0.14 0.86 0.01 0.00 1.72 0.00 0.00 39.33 42.05 2k60 h ASP 89 CO 0.00 -0.26 -0.69 -0.08 -2.88 0.00 0.00 179.24 175.33 2k60 h GLU 90 N -0.01 0.18 0.00 0.28 4.57 -1.88 -3.39 114.58 114.34 2k60 h GLU 90 Ca 0.25 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2k60 h GLU 90 Cb 0.50 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2k60 h GLU 90 CO -0.96 1.15 0.00 1.19 -1.18 0.00 0.00 179.01 179.21 2k60 n PHE 91 N -4.26 0.00 -0.22 0.92 3.01 -0.50 -1.80 117.46 114.62 2k60 n PHE 91 Ca -0.15 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.32 2k60 n PHE 91 Cb 0.72 -0.42 0.13 0.00 -0.01 0.00 0.00 39.48 39.91 2k60 n PHE 91 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2k60 h LEU 92 N 0.00 0.19 -0.03 4.37 5.85 -0.99 0.43 115.31 125.14 2k60 h LEU 92 Ca 0.00 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2k60 h LEU 92 Cb 0.00 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2k60 h LEU 92 CO 0.00 0.10 -0.22 0.03 -0.34 0.00 0.00 178.44 178.00 2k60 h ARG 93 N 0.39 -0.25 0.12 1.25 3.08 -1.63 -1.80 114.38 115.53 2k60 h ARG 93 Ca 0.34 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 2k60 h ARG 93 Cb 0.48 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2k60 h ARG 93 CO -0.36 -0.17 -0.06 0.93 -1.07 0.00 0.00 179.97 179.24 2k60 h GLU 94 N -0.26 -0.16 -1.02 0.04 5.08 -0.99 0.85 114.58 118.11 2k60 h GLU 94 Ca 0.01 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.63 2k60 h GLU 94 Cb 0.29 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.48 2k60 h GLU 94 CO -0.16 0.29 0.65 0.22 -1.00 0.00 0.00 179.01 179.01 2k60 h ASP 95 N -0.90 0.52 0.00 1.42 3.58 -0.07 -1.58 116.42 119.39 2k60 h ASP 95 Ca -0.02 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2k60 h ASP 95 Cb 0.53 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2k60 h ASP 95 CO 0.03 0.11 -0.00 0.00 -2.88 0.00 0.00 179.24 176.50 2k60 n LEU 96 N -4.68 0.00 -0.45 2.28 -0.00 -0.83 -4.56 117.00 108.75 2k60 n LEU 96 Ca 0.25 -0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.34 2k60 n LEU 96 Cb 0.82 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.26 2k60 n LEU 96 CO 0.24 0.00 0.34 0.59 -0.00 0.00 0.00 177.39 178.55 2k60 n ASN 97 N -0.01 1.85 0.00 1.45 5.03 -0.25 -4.83 115.26 118.51 2k60 n ASN 97 Ca 0.00 -1.42 0.00 0.00 0.87 0.00 0.00 54.58 54.03 2k60 n ASN 97 Cb 0.00 0.33 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 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 0.28 -4.23 117.16 120.52 2k60 n TYR 98 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 2k60 n TYR 98 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 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 -3.55 -0.72 8.25 -1.23 -3.65 115.22 114.31 2k60 n HIS 99 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2k60 n HIS 99 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 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 0.13 6.15 0.00 0.41 -4.77 -1.26 -4.48 116.67 112.85 2k60 s ASP 100 Ca 0.00 0.16 0.25 0.00 -3.30 0.00 0.00 52.55 49.65 2k60 s ASP 100 Cb 0.00 -2.15 1.17 0.00 -1.09 0.00 0.00 42.92 40.85 2k60 s ASP 100 CO 0.00 -0.04 1.79 -0.81 0.70 0.00 0.00 175.17 176.81 2k60 n PRO 101 N 4.75 1.38 0.09 2.11 -0.04 -1.26 -3.84 135.00 138.19 2k60 n PRO 101 Ca -0.13 -0.57 0.09 0.00 -0.04 0.00 0.00 63.50 62.85 2k60 n PRO 101 Cb 0.52 -1.42 0.56 0.00 -0.04 0.00 0.00 33.50 33.12 2k60 n PRO 101 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k60 h THR 102 N 1.26 0.98 0.48 0.52 2.02 -1.98 0.24 112.91 116.43 2k60 h THR 102 Ca 0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2k60 h THR 102 Cb 0.27 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2k60 h THR 102 CO 0.00 0.04 -0.36 0.58 0.37 0.00 0.00 175.52 176.15 2k60 h VAL 103 N 0.24 0.26 -0.24 3.16 2.07 -1.99 0.50 116.25 120.25 2k60 h VAL 103 Ca 0.12 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 2k60 h VAL 103 Cb 0.20 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2k60 h VAL 103 CO -0.02 0.00 -0.13 0.11 0.02 0.00 0.00 177.57 177.55 2k60 h LYS 104 N -0.83 0.50 0.38 1.57 1.79 -1.57 -0.24 116.57 118.18 2k60 h LYS 104 Ca -0.05 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2k60 h LYS 104 Cb 0.70 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 2k60 h LYS 104 CO 0.01 0.78 -0.39 0.45 -1.08 0.00 0.00 179.45 179.21 2k60 h HIS 105 N 0.22 -1.06 0.00 -1.35 3.86 -0.53 -0.66 115.15 115.62 2k60 h HIS 105 Ca 0.05 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.18 2k60 h HIS 105 Cb 0.63 0.42 -0.01 0.00 1.06 0.00 0.00 27.41 29.51 2k60 h HIS 105 CO 0.06 -0.54 -0.43 0.77 0.86 0.00 0.00 177.93 178.65 2k60 h SER 106 N -0.80 0.00 -0.29 2.45 0.02 -0.95 -1.51 113.55 112.47 2k60 h SER 106 Ca -0.03 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 2k60 h SER 106 Cb 0.71 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2k60 h SER 106 CO -0.07 0.43 -0.08 0.74 -1.14 0.00 0.00 176.83 176.71 2k60 h THR 107 N 0.00 1.28 0.22 -2.27 2.02 -0.89 -2.78 112.91 110.50 2k60 h THR 107 Ca -0.00 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 2k60 h THR 107 Cb 1.02 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2k60 h THR 107 CO 0.06 0.36 -0.11 0.15 0.37 0.00 0.00 175.52 176.35 2k60 h PHE 108 N 0.33 -0.28 0.06 3.16 3.57 -0.88 -3.40 116.94 119.50 2k60 h PHE 108 Ca 0.07 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2k60 h PHE 108 Cb 0.57 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2k60 h PHE 108 CO 0.05 -0.17 -0.03 1.25 -2.23 0.00 0.00 178.31 177.18 2k60 h HIS 109 N -0.89 -0.07 0.00 0.41 2.76 -1.46 -3.48 115.15 112.42 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 0.23 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.21 2k60 h HIS 109 CO 0.01 0.29 0.00 0.41 -1.30 0.00 0.00 177.93 177.34 2k60 n GLY 110 N 1.43 2.41 1.08 5.26 0.00 -1.05 -4.61 105.19 109.71 2k60 n GLY 110 Ca -0.05 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.25 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 2.34 -3.66 1.61 4.07 -1.26 -4.80 120.64 118.94 2k60 n GLU 111 Ca 0.00 -3.01 -0.02 0.00 -0.06 0.00 0.00 57.16 54.07 2k60 n GLU 111 Cb 0.00 -1.85 0.02 0.00 -0.06 0.00 0.00 31.44 29.55 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 -0.86 -1.47 0.00 4.31 -0.08 -1.26 -5.07 116.55 112.12 2k60 n ASP 112 Ca 0.29 -1.70 0.00 0.00 -1.51 0.00 0.00 54.79 51.87 2k60 n ASP 112 Cb 1.00 2.36 0.00 0.00 2.34 0.00 0.00 41.12 46.82 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 -0.69 0.41 -2.36 -0.67 4.76 -1.26 -4.39 118.16 113.97 2k60 n LYS 113 Ca -0.01 -0.55 -0.42 0.00 -2.87 0.00 0.00 58.31 54.46 2k60 n LYS 113 Cb 0.52 -0.70 -0.03 0.00 -1.84 0.00 0.00 35.03 32.99 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 -0.20 4.31 -0.30 -0.35 1.43 -1.26 -4.69 118.68 117.62 2k60 s LEU 114 Ca 0.00 1.97 -0.10 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 42.64 2k60 s LEU 114 CO 0.00 -0.62 0.15 -0.63 0.23 0.00 0.00 176.35 175.49 2k60 s ILE 115 N 2.05 4.70 0.06 -0.59 -1.09 -0.54 -4.59 121.20 121.19 2k60 s ILE 115 Ca 0.59 -0.32 0.08 0.00 -2.23 0.00 0.00 60.65 58.77 2k60 s ILE 115 Cb -0.28 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 2k60 s ILE 115 CO 0.25 0.11 -0.19 -0.94 -1.23 0.00 0.00 174.94 172.94 2k60 s SER 116 N 1.64 3.77 0.34 3.58 1.04 -1.26 0.43 113.70 123.24 2k60 s SER 116 Ca 0.05 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.08 2k60 s SER 116 Cb -0.17 -0.58 0.61 0.00 0.10 0.00 0.00 66.02 65.99 2k60 s SER 116 CO 0.07 0.24 1.83 -0.37 0.98 0.00 0.00 173.24 175.99 2k60 h VAL 117 N 3.90 1.22 -0.16 5.02 -1.51 -1.78 -0.47 116.25 122.47 2k60 h VAL 117 Ca -0.48 -0.99 -0.17 0.00 -1.23 0.00 0.00 66.70 63.83 2k60 h VAL 117 Cb 1.16 1.24 0.01 0.00 -2.13 0.00 0.00 31.29 31.56 2k60 h VAL 117 CO 0.47 0.31 -0.58 1.05 -1.23 0.00 0.00 177.57 177.59 2k60 h GLU 118 N 0.33 0.68 0.00 5.19 4.11 -1.95 -0.02 114.58 122.92 2k60 h GLU 118 Ca 0.06 -0.51 -0.16 0.00 0.07 0.00 0.00 59.36 58.82 2k60 h GLU 118 Cb 0.49 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2k60 h GLU 118 CO 0.03 1.13 -0.77 0.22 0.07 0.00 0.00 179.01 179.69 2k60 h ASP 119 N 0.37 0.00 -0.43 3.06 3.58 -1.90 -1.24 116.42 119.86 2k60 h ASP 119 Ca -0.03 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 2k60 h ASP 119 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2k60 h ASP 119 CO 0.12 0.77 -0.03 -0.07 -2.88 0.00 0.00 179.24 177.16 2k60 h LEU 120 N 0.00 0.76 -0.35 2.28 3.38 -1.06 0.31 115.31 120.63 2k60 h LEU 120 Ca -0.01 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.71 2k60 h LEU 120 Cb 1.44 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 2k60 h LEU 120 CO 0.10 0.90 -0.05 -0.25 0.09 0.00 0.00 178.44 179.23 2k60 h TRP 121 N 0.60 -0.11 0.10 1.13 2.91 -0.61 0.54 115.95 120.51 2k60 h TRP 121 Ca 0.12 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 2k60 h TRP 121 Cb 0.53 0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 2k60 h TRP 121 CO 0.04 -0.11 -0.05 0.87 -1.03 0.00 0.00 178.44 178.16 2k60 h LYS 122 N 0.04 -0.13 -0.06 2.65 6.56 -1.01 -1.66 116.57 122.97 2k60 h LYS 122 Ca 0.17 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 2k60 h LYS 122 Cb 0.25 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 2k60 h LYS 122 CO -0.33 -0.06 0.02 0.00 -2.06 0.00 0.00 179.45 177.02 2k60 h ALA 123 N 0.75 0.07 -0.30 3.86 0.00 0.05 -2.22 119.26 121.47 2k60 h ALA 123 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2k60 h ALA 123 Cb 0.12 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2k60 h ALA 123 CO 0.02 -0.45 -0.02 2.35 0.00 0.00 0.00 179.25 181.15 2k60 h TRP 124 N 0.06 -0.05 0.00 0.00 7.01 0.12 0.32 115.95 123.41 2k60 h TRP 124 Ca 0.02 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.05 2k60 h TRP 124 Cb 0.01 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 2k60 h TRP 124 CO -0.09 -0.07 0.00 1.63 -2.79 0.00 0.00 178.44 177.12 2k60 n LYS 125 N -5.19 0.12 0.00 2.65 5.02 -0.63 -1.18 118.16 118.95 2k60 n LYS 125 Ca -0.00 0.46 0.06 0.00 -2.02 0.00 0.00 58.31 56.81 2k60 n LYS 125 Cb 0.16 -1.77 0.01 0.00 -0.02 0.00 0.00 35.03 33.41 2k60 n LYS 125 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k60 n SER 126 N -2.00 1.51 -4.97 4.39 2.88 -0.07 -4.89 113.62 110.46 2k60 n SER 126 Ca 0.01 -1.25 -0.21 0.00 -1.33 0.00 0.00 58.87 56.09 2k60 n SER 126 Cb 0.14 0.36 -0.01 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.42 6.20 0.58 -3.46 0.01 0.93 -4.98 113.70 111.57 2k60 s SER 127 Ca 0.11 0.01 0.28 0.00 1.31 0.00 0.00 55.95 57.67 2k60 s SER 127 Cb 0.10 -1.67 1.56 0.00 0.21 0.00 0.00 66.02 66.22 2k60 s SER 127 CO 0.27 -0.21 2.00 -0.33 0.41 0.00 0.00 173.24 175.38 2k60 h GLU 128 N 1.05 0.00 -0.12 12.44 5.08 -1.90 -2.09 114.58 129.04 2k60 h GLU 128 Ca -0.50 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 2k60 h GLU 128 Cb 1.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 2k60 h GLU 128 CO 0.58 0.00 -0.36 0.28 -1.00 0.00 0.00 179.01 178.51 2k60 h VAL 129 N 0.00 0.23 0.00 3.13 2.07 -1.89 0.27 116.25 120.06 2k60 h VAL 129 Ca 0.15 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 2k60 h VAL 129 Cb 0.82 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2k60 h VAL 129 CO -0.00 0.00 -0.19 0.22 0.02 0.00 0.00 177.57 177.62 2k60 h TYR 130 N -0.44 0.00 0.00 1.57 5.03 -1.42 -2.16 116.97 119.55 2k60 h TYR 130 Ca 0.09 0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.23 2k60 h TYR 130 Cb 0.58 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 2k60 h TYR 130 CO -0.43 0.19 -0.78 -0.91 -1.32 0.00 0.00 178.16 174.91 2k60 h ASN 131 N 0.00 0.00 -2.48 -2.11 4.21 -1.17 -3.43 115.58 110.60 2k60 h ASN 131 Ca -0.00 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 56.95 2k60 h ASN 131 Cb 0.67 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.86 2k60 h ASN 131 CO 0.02 0.78 1.21 0.26 -1.29 0.00 0.00 177.43 178.41 2k60 s TRP 132 N -3.00 1.66 0.32 1.19 0.51 0.84 -4.98 118.94 115.48 2k60 s TRP 132 Ca 0.01 0.13 -0.05 0.00 -2.12 0.00 0.00 56.10 54.07 2k60 s TRP 132 Cb 0.10 -4.04 0.07 0.00 -0.81 0.00 0.00 33.47 28.79 2k60 s TRP 132 CO 0.78 -4.21 0.43 -2.37 -0.51 0.00 0.00 176.95 171.08 2k60 n THR 133 N 6.10 0.00 -0.25 2.01 5.66 -1.26 -1.79 114.28 124.74 2k60 n THR 133 Ca 0.20 -0.33 -0.06 0.00 -3.05 0.00 0.00 64.05 60.81 2k60 n THR 133 Cb 0.43 -1.80 0.05 0.00 -1.55 0.00 0.00 70.33 67.46 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 -1.21 1.21 -0.27 1.08 2.07 -1.95 0.12 116.25 117.29 2k60 h VAL 134 Ca -0.14 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2k60 h VAL 134 Cb 0.39 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2k60 h VAL 134 CO 0.10 0.23 0.18 0.44 0.02 0.00 0.00 177.57 178.54 2k60 h ASP 135 N 0.95 0.32 -0.39 0.57 5.19 -1.94 0.07 116.42 121.19 2k60 h ASP 135 Ca 0.24 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.58 2k60 h ASP 135 Cb 0.03 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 2k60 h ASP 135 CO -0.04 0.25 0.05 -0.33 -3.12 0.00 0.00 179.24 176.04 2k60 h GLU 136 N 0.36 0.65 -0.20 3.56 4.39 -1.83 -1.55 114.58 119.97 2k60 h GLU 136 Ca 0.10 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 2k60 h GLU 136 Cb -0.02 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2k60 h GLU 136 CO -0.02 0.72 -0.22 -0.24 -1.16 0.00 0.00 179.01 178.09 2k60 h VAL 137 N 0.49 1.24 0.29 3.13 3.04 -0.79 -0.33 116.25 123.32 2k60 h VAL 137 Ca 0.12 -1.12 -0.01 0.00 -1.01 0.00 0.00 66.70 64.67 2k60 h VAL 137 Cb 0.39 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2k60 h VAL 137 CO 0.01 0.35 -0.15 0.58 -1.01 0.00 0.00 177.57 177.35 2k60 h VAL 138 N 0.33 0.69 0.00 1.51 2.07 -0.34 0.60 116.25 121.11 2k60 h VAL 138 Ca 0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 2k60 h VAL 138 Cb 0.57 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2k60 h VAL 138 CO 0.04 0.00 -0.41 0.06 0.02 0.00 0.00 177.57 177.28 2k60 h GLN 139 N -0.40 0.00 -0.13 1.57 3.07 -1.09 -1.56 115.11 116.56 2k60 h GLN 139 Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.63 2k60 h GLN 139 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.88 2k60 h GLN 139 CO 0.05 0.41 -0.20 2.35 0.09 0.00 0.00 178.83 181.53 2k60 h TRP 140 N 0.00 0.46 -0.47 0.06 2.91 -0.62 -0.81 115.95 117.48 2k60 h TRP 140 Ca -0.00 -0.16 -0.07 0.00 1.13 0.00 0.00 58.89 59.79 2k60 h TRP 140 Cb 0.73 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.27 2k60 h TRP 140 CO 0.00 0.82 0.01 1.37 -1.03 0.00 0.00 178.44 179.61 2k60 h LEU 141 N -0.02 0.73 -0.04 0.65 8.10 0.50 0.93 115.31 126.15 2k60 h LEU 141 Ca 0.01 -0.17 -0.08 0.00 0.11 0.00 0.00 57.88 57.75 2k60 h LEU 141 Cb 0.77 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.80 2k60 h LEU 141 CO 0.05 0.79 -0.30 0.16 -4.11 0.00 0.00 178.44 175.02 2k60 h ILE 142 N 0.72 1.46 0.00 0.15 3.07 -1.25 0.37 117.51 122.03 2k60 h ILE 142 Ca 0.14 -1.79 0.00 0.00 1.55 0.00 0.00 64.86 64.77 2k60 h ILE 142 Cb 0.42 2.46 0.00 0.00 -0.27 0.00 0.00 36.82 39.43 2k60 h ILE 142 CO 0.02 0.51 0.00 0.00 -1.05 0.00 0.00 178.15 177.62 2k60 h THR 143 N -0.26 0.00 0.00 0.16 1.03 -0.85 -0.63 112.91 112.36 2k60 h THR 143 Ca -0.03 -0.50 -0.08 0.00 -0.01 0.00 0.00 66.41 65.80 2k60 h THR 143 Cb 0.98 1.50 -0.01 0.00 -1.07 0.00 0.00 68.15 69.55 2k60 h THR 143 CO 0.06 0.00 -0.89 -1.22 -0.01 0.00 0.00 175.52 173.46 2k60 n TYR 144 N -3.09 0.00 0.21 0.00 4.01 0.30 -4.74 117.16 113.85 2k60 n TYR 144 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 2k60 n TYR 144 Cb 0.30 -0.28 0.24 0.00 -0.31 0.00 0.00 39.34 39.29 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 -0.40 0.26 -0.90 -0.72 2.07 -0.42 -3.47 116.25 112.67 2k60 h VAL 145 Ca -0.11 -1.23 -0.20 0.00 0.82 0.00 0.00 66.70 65.97 2k60 h VAL 145 Cb 0.74 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 2k60 h VAL 145 CO -0.07 0.14 -0.21 -0.62 0.02 0.00 0.00 177.57 176.83 2k60 n GLU 146 N -3.16 -0.73 -3.33 1.57 1.02 -0.24 -4.80 120.64 110.97 2k60 n GLU 146 Ca 0.03 0.68 -0.45 0.00 -0.02 0.00 0.00 57.16 57.39 2k60 n GLU 146 Cb 0.54 -4.66 -0.06 0.00 -0.02 0.00 0.00 31.44 27.24 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 -2.51 5.88 -0.04 -4.62 2.01 -1.23 -4.96 118.68 113.20 2k60 s LEU 147 Ca 0.00 -1.55 0.06 0.00 0.01 0.00 0.00 54.13 52.65 2k60 s LEU 147 Cb 0.00 -2.21 0.25 0.00 0.01 0.00 0.00 46.19 44.24 2k60 s LEU 147 CO 0.00 -0.78 1.03 -0.81 1.01 0.00 0.00 176.35 176.80 2k60 n PRO 148 N 5.30 1.97 -0.86 1.29 -0.04 -1.26 -3.66 135.00 137.74 2k60 n PRO 148 Ca -0.13 -0.96 -0.05 0.00 -0.04 0.00 0.00 63.50 62.32 2k60 n PRO 148 Cb 0.42 -1.51 0.26 0.00 -0.04 0.00 0.00 33.50 32.63 2k60 n PRO 148 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k60 n GLN 149 N 0.21 3.30 -0.33 0.54 0.00 -1.26 -4.62 117.38 115.22 2k60 n GLN 149 Ca 0.09 -2.55 0.06 0.00 0.00 0.00 0.00 57.00 54.59 2k60 n GLN 149 Cb 0.41 -2.07 0.21 0.00 0.00 0.00 0.00 30.24 28.79 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 2.25 0.98 0.18 2.61 -0.00 -1.96 -1.04 116.97 119.99 2k60 h TYR 150 Ca 0.22 0.03 0.01 0.00 -0.00 0.00 0.00 58.73 59.00 2k60 h TYR 150 Cb 2.08 -0.30 -0.04 0.00 -0.00 0.00 0.00 36.73 38.46 2k60 h TYR 150 CO 1.08 0.37 -0.44 1.49 -0.00 0.00 0.00 178.16 180.66 2k60 h GLU 151 N 0.86 -0.69 -0.19 0.10 4.81 -1.93 0.12 114.58 117.66 2k60 h GLU 151 Ca 0.46 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 2k60 h GLU 151 Cb 0.47 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2k60 h GLU 151 CO -0.27 -0.46 0.07 0.93 -0.73 0.00 0.00 179.01 178.55 2k60 h GLU 152 N -0.71 0.29 -0.55 1.92 4.39 -1.76 -1.48 114.58 116.67 2k60 h GLU 152 Ca 0.01 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 2k60 h GLU 152 Cb 0.71 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 2k60 h GLU 152 CO -0.22 0.37 -0.03 0.00 -1.16 0.00 0.00 179.01 177.97 2k60 h THR 153 N 0.15 1.26 -0.34 1.13 1.03 -1.00 0.35 112.91 115.49 2k60 h THR 153 Ca 0.06 -1.15 -0.14 0.00 -0.01 0.00 0.00 66.41 65.17 2k60 h THR 153 Cb 0.19 0.87 -0.01 0.00 -1.07 0.00 0.00 68.15 68.13 2k60 h THR 153 CO -0.00 0.41 -0.35 2.19 -0.01 0.00 0.00 175.52 177.76 2k60 h PHE 154 N 0.89 0.93 0.00 0.00 -5.15 -0.68 -1.12 116.94 111.80 2k60 h PHE 154 Ca 0.16 -0.26 -0.01 0.00 -0.20 0.00 0.00 57.97 57.66 2k60 h PHE 154 Cb 0.56 -0.20 -0.00 0.00 0.22 0.00 0.00 35.95 36.53 2k60 h PHE 154 CO 0.04 1.02 -0.04 0.07 -2.00 0.00 0.00 178.31 177.40 2k60 h ARG 155 N 0.65 0.00 0.02 6.09 0.11 -0.73 0.21 114.38 120.74 2k60 h ARG 155 Ca 0.06 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 2k60 h ARG 155 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 2k60 h ARG 155 CO 0.08 0.04 -0.01 0.87 0.10 0.00 0.00 179.97 181.05 2k60 h LYS 156 N 0.00 -0.03 0.00 0.08 1.79 0.15 -3.43 116.57 115.14 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 0.74 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2k60 h LYS 156 CO 0.00 0.72 -0.05 1.47 -1.08 0.00 0.00 179.45 180.52 2k60 n LEU 157 N -4.70 0.00 -2.72 2.94 -0.00 -0.47 -5.09 117.00 106.96 2k60 n LEU 157 Ca -0.08 -0.42 -0.02 0.00 -0.00 0.00 0.00 56.01 55.49 2k60 n LEU 157 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.77 2k60 n LEU 157 CO 0.29 0.00 -0.54 0.00 -0.00 0.00 0.00 177.39 177.14 2k60 n GLN 158 N -0.90 -3.62 -2.90 1.47 6.02 0.73 -5.02 117.38 113.15 2k60 n GLN 158 Ca 0.00 2.86 -0.23 0.00 -0.01 0.00 0.00 57.00 59.62 2k60 n GLN 158 Cb 0.00 -4.95 0.01 0.00 1.02 0.00 0.00 30.24 26.33 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 -1.27 3.59 0.00 1.08 2.34 -1.26 -4.87 118.68 118.28 2k60 s LEU 159 Ca -0.09 0.33 0.00 0.00 0.06 0.00 0.00 54.13 54.43 2k60 s LEU 159 Cb 0.01 -3.21 0.00 0.00 -0.56 0.00 0.00 46.19 42.43 2k60 s LEU 159 CO 0.73 -0.76 0.00 -1.54 -1.06 0.00 0.00 176.35 173.72 2k60 n SER 160 N -2.15 0.00 0.32 1.48 3.41 -1.26 -3.75 113.62 111.68 2k60 n SER 160 Ca 0.02 -0.25 0.20 0.00 -0.26 0.00 0.00 58.87 58.58 2k60 n SER 160 Cb 0.58 0.00 1.12 0.00 -0.26 0.00 0.00 64.21 65.64 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 0.98 5.00 0.00 -1.39 0.26 103.07 107.92 2k60 h GLY 161 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2k60 h GLY 161 CO 0.00 0.00 -1.72 0.84 0.00 0.00 0.00 176.54 175.66 2k60 h HIS 162 N 0.00 0.38 0.00 5.60 -0.00 -1.86 -3.31 115.15 115.96 2k60 h HIS 162 Ca -0.00 -0.28 -0.09 0.00 -0.00 0.00 0.00 60.37 60.00 2k60 h HIS 162 Cb 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2k60 h HIS 162 CO 0.00 1.44 -0.44 0.00 -0.00 0.00 0.00 177.93 178.93 2k60 h ALA 163 N 0.45 1.22 -0.25 5.26 0.00 -1.62 -2.27 119.26 122.05 2k60 h ALA 163 Ca -0.31 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.25 2k60 h ALA 163 Cb 2.03 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.67 2k60 h ALA 163 CO 0.12 0.55 -0.44 0.52 0.00 0.00 0.00 179.25 180.01 2k60 h MET 164 N 0.00 -0.41 -0.30 0.00 2.86 -0.61 0.87 114.93 117.33 2k60 h MET 164 Ca -0.00 0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 2k60 h MET 164 Cb 0.81 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 2k60 h MET 164 CO 0.06 -0.28 -0.24 -1.00 1.06 0.00 0.00 176.91 176.52 2k60 h PRO 165 N -0.43 0.70 -1.00 -0.22 0.13 -1.73 -2.30 132.00 127.15 2k60 h PRO 165 Ca 0.10 -0.34 0.20 0.00 -0.87 0.00 0.00 66.00 65.09 2k60 h PRO 165 Cb 0.61 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.64 2k60 h PRO 165 CO -0.48 0.95 0.61 -0.09 -0.23 0.00 0.00 178.00 178.77 2k60 h ARG 166 N 0.45 0.67 0.00 0.86 1.12 -0.74 -0.66 114.38 116.07 2k60 h ARG 166 Ca 0.06 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 2k60 h ARG 166 Cb 0.79 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 2k60 h ARG 166 CO 0.06 0.44 -0.67 1.47 -3.11 0.00 0.00 179.97 178.16 2k60 n LEU 167 N -4.74 0.69 0.20 3.80 -0.00 0.30 -3.84 117.00 113.41 2k60 n LEU 167 Ca 0.23 0.21 0.15 0.00 -0.00 0.00 0.00 56.01 56.60 2k60 n LEU 167 Cb 0.63 -0.17 0.62 0.00 -0.00 0.00 0.00 43.42 44.50 2k60 n LEU 167 CO 0.22 -0.05 0.93 0.00 -0.00 0.00 0.00 177.39 178.49 2k60 h ALA 168 N 2.50 1.00 -2.99 1.47 0.00 -0.52 -3.40 119.26 117.32 2k60 h ALA 168 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 2k60 h ALA 168 Cb 0.75 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.29 2k60 h ALA 168 CO 0.00 0.00 -0.64 0.54 0.00 0.00 0.00 179.25 179.15 2k60 s VAL 169 N -3.53 3.99 0.32 0.00 0.11 -1.22 -4.38 120.40 115.69 2k60 s VAL 169 Ca 0.02 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 2k60 s VAL 169 Cb 0.09 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.98 2k60 s VAL 169 CO 0.44 0.21 0.00 0.35 -3.33 0.00 0.00 175.10 172.77 2k60 n THR 170 N 4.87 -4.54 0.29 5.04 -2.24 -1.26 -4.33 114.28 112.11 2k60 n THR 170 Ca -0.16 2.10 0.16 0.00 -2.27 0.00 0.00 64.05 63.89 2k60 n THR 170 Cb 0.49 -2.73 0.88 0.00 -2.10 0.00 0.00 70.33 66.87 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 2.74 0.00 0.11 3.42 7.08 -1.88 -1.62 115.58 125.43 2k60 h ASN 171 Ca 0.00 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.17 2k60 h ASN 171 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 2k60 h ASN 171 CO 0.00 0.05 -0.17 0.71 -2.08 0.00 0.00 177.43 175.94 2k60 h THR 172 N 0.00 1.17 -0.14 6.14 1.35 -1.89 0.11 112.91 119.65 2k60 h THR 172 Ca -0.00 -0.79 -0.17 0.00 -0.55 0.00 0.00 66.41 64.90 2k60 h THR 172 Cb 0.21 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2k60 h THR 172 CO 0.01 0.24 -0.63 0.74 -0.25 0.00 0.00 175.52 175.62 2k60 h THR 173 N 0.13 1.34 0.25 6.82 2.02 -1.48 -3.26 112.91 118.74 2k60 h THR 173 Ca 0.02 -1.94 -0.34 0.00 0.77 0.00 0.00 66.41 64.93 2k60 h THR 173 Cb 0.39 1.92 0.04 0.00 -1.74 0.00 0.00 68.15 68.76 2k60 h THR 173 CO 0.03 0.59 -1.49 -0.03 0.37 0.00 0.00 175.52 174.99 2k60 h MET 174 N 0.36 0.54 -5.92 6.66 1.85 -1.50 -3.41 114.93 113.51 2k60 h MET 174 Ca -0.01 -0.92 -0.49 0.00 -0.61 0.00 0.00 59.70 57.67 2k60 h MET 174 Cb 1.19 0.34 -0.08 0.00 0.43 0.00 0.00 31.60 33.48 2k60 h MET 174 CO 0.11 1.44 1.27 -0.08 -0.40 0.00 0.00 176.91 179.25 2k60 s THR 175 N -2.60 3.75 0.31 -0.77 -1.32 0.35 -4.76 115.64 110.61 2k60 s THR 175 Ca -0.09 -0.72 0.06 0.00 -1.21 0.00 0.00 61.69 59.72 2k60 s THR 175 Cb 0.04 -4.68 0.07 0.00 -1.51 0.00 0.00 72.50 66.43 2k60 s THR 175 CO 0.94 -1.55 1.76 1.23 -2.21 0.00 0.00 174.62 174.79 2k60 h GLY 176 N 14.81 0.32 0.00 6.08 0.00 -1.81 -3.45 103.07 119.02 2k60 h GLY 176 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2k60 h GLY 176 CO 1.34 0.24 0.00 2.41 0.00 0.00 0.00 176.54 180.54 2k60 n THR 177 N -4.11 0.00 -3.66 4.70 -1.04 -1.26 -5.07 114.28 103.83 2k60 n THR 177 Ca -0.01 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.71 2k60 n THR 177 Cb 0.41 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.77 2k60 n THR 177 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k60 s VAL 178 N 0.00 0.46 0.00 12.58 1.01 -1.26 -5.02 120.40 128.16 2k60 s VAL 178 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2k60 s VAL 178 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2k60 s VAL 178 CO 0.00 -0.60 0.00 0.18 0.00 0.00 0.00 175.10 174.68 2k60 n LEU 179 N 5.04 0.00 -4.12 3.92 4.32 -1.26 -5.02 117.00 119.87 2k60 n LEU 179 Ca -0.05 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.72 2k60 n LEU 179 Cb 0.43 -0.01 -0.15 0.00 -1.62 0.00 0.00 43.42 42.07 2k60 n LEU 179 CO 0.09 -0.02 -0.47 -0.75 -1.22 0.00 0.00 177.39 175.02 2k60 s LYS 180 N -0.03 1.10 0.79 3.23 2.47 -1.26 -4.94 119.74 121.10 2k60 s LYS 180 Ca 0.00 -0.60 -0.08 0.00 -1.56 0.00 0.00 55.97 53.73 2k60 s LYS 180 Cb 0.00 -1.08 0.17 0.00 -1.46 0.00 0.00 37.83 35.46 2k60 s LYS 180 CO 0.00 0.29 1.08 -1.33 0.16 0.00 0.00 175.35 175.55 2k60 n MET 181 N 2.46 -0.67 -2.75 4.03 2.81 -1.26 -4.78 117.12 116.96 2k60 n MET 181 Ca -0.15 -2.17 -0.01 0.00 -1.81 0.00 0.00 57.70 53.55 2k60 n MET 181 Cb 0.55 -0.96 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 2k60 n MET 181 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2k60 n THR 182 N -3.25-11.69 -0.31 2.03 -2.24 -1.26 -4.40 114.28 93.15 2k60 n THR 182 Ca 0.15 1.73 0.08 0.00 -2.27 0.00 0.00 64.05 63.74 2k60 n THR 182 Cb 0.54 -6.86 0.24 0.00 -2.10 0.00 0.00 70.33 62.15 2k60 n THR 182 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2k60 h ASP 183 N 2.98 0.62 -0.16 3.42 2.03 -1.99 0.28 116.42 123.59 2k60 h ASP 183 Ca -0.00 0.09 -0.09 0.00 -0.73 0.00 0.00 57.03 56.30 2k60 h ASP 183 Cb 0.13 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.61 2k60 h ASP 183 CO 0.11 0.26 -0.25 0.08 -1.03 0.00 0.00 179.24 178.41 2k60 h ARG 184 N 0.69 0.45 -0.66 4.15 -0.00 -1.98 -1.25 114.38 115.78 2k60 h ARG 184 Ca 0.49 -0.27 -0.04 0.00 -0.00 0.00 0.00 59.98 60.16 2k60 h ARG 184 Cb 0.68 0.03 -0.03 0.00 -0.00 0.00 0.00 29.97 30.64 2k60 h ARG 184 CO -0.35 0.87 0.27 0.77 -0.00 0.00 0.00 179.97 181.52 2k60 h SER 185 N 0.08 0.91 0.74 0.08 0.02 -1.67 0.30 113.55 114.02 2k60 h SER 185 Ca 0.01 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 2k60 h SER 185 Cb 0.83 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.14 2k60 h SER 185 CO 0.06 0.83 -0.36 -0.74 -1.14 0.00 0.00 176.83 175.49 2k60 h HIS 186 N 0.94 -0.92 -0.18 3.45 -0.00 -0.90 -1.56 115.15 115.97 2k60 h HIS 186 Ca 0.22 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 2k60 h HIS 186 Cb 0.20 0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 2k60 h HIS 186 CO 0.01 -0.56 -0.15 0.07 -0.00 0.00 0.00 177.93 177.30 2k60 h ARG 187 N -1.06 0.29 -0.00 5.26 0.11 -1.02 -1.39 114.38 116.57 2k60 h ARG 187 Ca -0.10 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 59.90 2k60 h ARG 187 Cb 0.78 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.82 2k60 h ARG 187 CO 0.17 0.45 -0.00 1.96 0.10 0.00 0.00 179.97 182.65 2k60 h GLN 188 N 0.28 0.01 -0.38 0.08 1.08 -0.26 0.19 115.11 116.10 2k60 h GLN 188 Ca 0.05 -0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 2k60 h GLN 188 Cb 0.44 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2k60 h GLN 188 CO 0.03 0.32 -0.17 0.87 -0.95 0.00 0.00 178.83 178.93 2k60 h LYS 189 N -0.31 0.78 -0.07 1.46 6.56 -1.14 -0.28 116.57 123.56 2k60 h LYS 189 Ca 0.00 -0.34 -0.00 0.00 -1.06 0.00 0.00 60.65 59.25 2k60 h LYS 189 Cb 0.32 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.95 2k60 h LYS 189 CO 0.00 0.96 0.03 -0.07 -2.06 0.00 0.00 179.45 178.31 2k60 h LEU 190 N 0.58 0.10 -0.38 2.94 -0.00 -1.26 -1.59 115.31 115.69 2k60 h LEU 190 Ca 0.08 -0.15 -0.09 0.00 -0.00 0.00 0.00 57.88 57.73 2k60 h LEU 190 Cb 0.72 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 2k60 h LEU 190 CO 0.05 0.22 -0.10 0.06 -0.00 0.00 0.00 178.44 178.67 2k60 h GLN 191 N -0.03 0.75 0.15 1.13 3.07 -0.58 0.60 115.11 120.19 2k60 h GLN 191 Ca 0.02 -0.29 0.01 0.00 0.09 0.00 0.00 58.65 58.48 2k60 h GLN 191 Cb 0.15 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.66 2k60 h GLN 191 CO -0.00 0.89 -0.17 -0.07 0.09 0.00 0.00 178.83 179.57 2k60 h LEU 192 N 0.55 -0.45 0.19 0.06 -0.00 -0.98 0.12 115.31 114.80 2k60 h LEU 192 Ca 0.10 0.05 -0.28 0.00 -0.00 0.00 0.00 57.88 57.75 2k60 h LEU 192 Cb 0.62 0.16 0.03 0.00 -0.00 0.00 0.00 40.66 41.48 2k60 h LEU 192 CO 0.04 -0.25 -1.20 0.11 -0.00 0.00 0.00 178.44 177.14 2k60 h LYS 193 N -0.35 0.48 -0.32 1.13 6.56 -1.29 -1.60 116.57 121.18 2k60 h LYS 193 Ca 0.01 -0.77 -0.09 0.00 -1.06 0.00 0.00 60.65 58.74 2k60 h LYS 193 Cb 0.35 0.28 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 2k60 h LYS 193 CO -0.06 1.36 -0.14 0.00 -2.06 0.00 0.00 179.45 178.55 2k60 h ALA 194 N 0.16 0.45 -0.21 3.86 0.00 -0.86 0.86 119.26 123.51 2k60 h ALA 194 Ca -0.20 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 2k60 h ALA 194 Cb 1.93 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 2k60 h ALA 194 CO 0.23 0.34 -0.16 1.25 0.00 0.00 0.00 179.25 180.91 2k60 h LEU 195 N 0.42 0.51 -1.71 0.00 5.85 -0.84 0.23 115.31 119.77 2k60 h LEU 195 Ca 0.07 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 2k60 h LEU 195 Cb 0.67 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2k60 h LEU 195 CO 0.04 0.85 -0.16 -0.78 -0.34 0.00 0.00 178.44 178.05 2k60 h ASP 196 N 0.18 0.00 -0.00 1.25 3.58 -1.25 -0.48 116.42 119.70 2k60 h ASP 196 Ca 0.04 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2k60 h ASP 196 Cb 0.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2k60 h ASP 196 CO 0.04 0.16 -0.02 0.74 -2.88 0.00 0.00 179.24 177.28 2k60 h THR 197 N 0.00 1.55 0.00 2.25 2.02 -0.31 0.42 112.91 118.84 2k60 h THR 197 Ca -0.00 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.50 2k60 h THR 197 Cb 0.44 2.67 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2k60 h THR 197 CO 0.02 0.43 -0.14 -0.37 0.37 0.00 0.00 175.52 175.83 2k60 h VAL 198 N -0.68 0.57 0.00 3.16 -1.51 -0.21 -1.53 116.25 116.05 2k60 h VAL 198 Ca -0.00 -0.64 -0.07 0.00 -1.23 0.00 0.00 66.70 64.76 2k60 h VAL 198 Cb 0.71 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 2k60 h VAL 198 CO 0.00 0.14 -0.75 0.18 -1.23 0.00 0.00 177.57 175.91 2k60 n LEU 199 N -3.60 1.83 -0.08 4.19 4.77 -0.22 -4.60 117.00 119.28 2k60 n LEU 199 Ca -0.01 0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 56.43 2k60 n LEU 199 Cb 0.27 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.44 2k60 n LEU 199 CO 0.31 -0.26 -0.72 0.33 -1.33 0.00 0.00 177.39 175.71 2k60 n PHE 200 N -4.56 0.00 -0.59 -1.77 -0.00 0.12 -4.93 117.46 105.73 2k60 n PHE 200 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.30 2k60 n PHE 200 Cb 0.39 -0.52 0.00 0.00 -0.00 0.00 0.00 39.48 39.35 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17