#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k60 n SER -4 N 0.00 0.62 -0.01 1.61 7.64 -1.26 -5.02 113.62 117.21 2k60 n SER -4 Ca 0.00 -0.54 -0.17 0.00 1.01 0.00 0.00 58.87 59.17 2k60 n SER -4 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2k60 n SER -4 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2k60 h HIS -3 N 0.17 0.53 -2.28 1.43 -0.00 -2.03 -3.41 115.15 109.55 2k60 h HIS -3 Ca 0.00 -0.28 -0.54 0.00 -0.00 0.00 0.00 60.37 59.56 2k60 h HIS -3 Cb 0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 27.41 27.27 2k60 h HIS -3 CO 0.00 1.08 -0.59 0.00 -0.00 0.00 0.00 177.93 178.42 2k60 s MET -2 N -3.28 2.64 0.00 5.26 0.00 -1.26 -4.25 119.30 118.40 2k60 s MET -2 Ca -0.14 -1.19 0.00 0.00 0.00 0.00 0.00 55.69 54.36 2k60 s MET -2 Cb 0.03 -2.39 0.00 0.00 0.00 0.00 0.00 34.83 32.47 2k60 s MET -2 CO 0.80 0.40 0.00 0.00 0.00 0.00 0.00 175.02 176.22 2k60 n ALA -1 N -0.93 0.00 -2.14 3.16 0.00 -1.26 -4.62 120.51 114.71 2k60 n ALA -1 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 2k60 n ALA -1 Cb 0.58 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 2k60 n ALA -1 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k60 n SER 0 N -0.41 -0.88 -0.02 0.00 3.41 -1.26 -4.41 113.62 110.05 2k60 n SER 0 Ca 0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 2k60 n SER 0 Cb 0.20 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2k60 n SER 0 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k60 n SER 58 N -0.18 1.05 0.10 4.04 7.64 -1.26 -1.92 113.62 123.08 2k60 n SER 58 Ca -0.24 -1.59 0.03 0.00 1.01 0.00 0.00 58.87 58.08 2k60 n SER 58 Cb 0.76 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.93 2k60 n SER 58 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k60 h GLU 59 N 0.00 0.00 -5.70 1.43 3.07 -1.91 -3.45 114.58 108.02 2k60 h GLU 59 Ca 0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 2k60 h GLU 59 Cb 0.77 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.54 2k60 h GLU 59 CO 0.00 0.34 -0.69 -0.51 -1.40 0.00 0.00 179.01 176.75 2k60 s ASP 60 N -6.06 3.11 -0.58 1.42 1.01 -1.26 -5.10 116.67 109.21 2k60 s ASP 60 Ca 0.01 -1.17 -0.01 0.00 0.71 0.00 0.00 52.55 52.09 2k60 s ASP 60 Cb 0.08 -0.23 0.15 0.00 1.01 0.00 0.00 42.92 43.93 2k60 s ASP 60 CO 0.77 -0.26 0.38 -0.70 0.21 0.00 0.00 175.17 175.58 2k60 s GLU 61 N -3.67 2.39 -0.34 8.23 -6.30 -1.26 -4.78 118.70 112.97 2k60 s GLU 61 Ca 0.30 -2.48 -0.10 0.00 -2.50 0.00 0.00 54.97 50.19 2k60 s GLU 61 Cb 0.02 -3.63 0.01 0.00 0.00 0.00 0.00 34.13 30.53 2k60 s GLU 61 CO 0.13 -1.15 0.44 1.17 0.02 0.00 0.00 175.26 175.87 2k60 n LYS 62 N 3.51 -1.59 -4.65 4.30 3.00 -1.26 -5.07 118.16 116.39 2k60 n LYS 62 Ca 0.06 1.59 -0.29 0.00 -0.00 0.00 0.00 58.31 59.68 2k60 n LYS 62 Cb 0.37 -4.49 -0.10 0.00 0.00 0.00 0.00 35.03 30.81 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 -2.34 2.54 -0.11 3.14 2.96 -1.26 -5.06 118.68 118.56 2k60 s LEU 63 Ca 0.15 -1.50 0.18 0.00 -0.22 0.00 0.00 54.13 52.75 2k60 s LEU 63 Cb -0.04 -0.74 -0.26 0.00 0.50 0.00 0.00 46.19 45.64 2k60 s LEU 63 CO 0.55 -0.64 0.24 -1.20 -1.32 0.00 0.00 176.35 173.97 2k60 n SER 64 N -1.07 0.50 0.09 3.68 7.64 -1.26 -4.33 113.62 118.86 2k60 n SER 64 Ca -0.10 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.77 2k60 n SER 64 Cb 0.67 1.40 0.27 0.00 -1.01 0.00 0.00 64.21 65.53 2k60 n SER 64 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2k60 h PHE 65 N 0.00 0.30 -0.89 1.43 3.04 -1.99 -1.06 116.94 117.78 2k60 h PHE 65 Ca -0.26 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.61 2k60 h PHE 65 Cb 1.55 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.95 2k60 h PHE 65 CO 0.00 0.55 0.50 1.05 -2.02 0.00 0.00 178.31 178.40 2k60 h GLU 66 N 0.24 1.24 -0.10 1.11 4.11 -1.87 0.14 114.58 119.45 2k60 h GLU 66 Ca 0.03 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 2k60 h GLU 66 Cb 0.67 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k60 h GLU 66 CO 0.05 0.89 0.01 0.00 0.07 0.00 0.00 179.01 180.03 2k60 h ALA 67 N 1.31 0.13 0.05 1.06 0.00 -1.53 0.07 119.26 120.35 2k60 h ALA 67 Ca 0.32 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2k60 h ALA 67 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2k60 h ALA 67 CO -0.05 -0.20 -0.23 0.28 0.00 0.00 0.00 179.25 179.04 2k60 h VAL 68 N -0.09 0.47 0.00 0.00 2.07 -0.73 -1.15 116.25 116.82 2k60 h VAL 68 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2k60 h VAL 68 Cb 0.32 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 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 -0.40 0.00 -0.06 1.57 0.11 -0.71 -1.48 114.38 113.42 2k60 h ARG 69 Ca 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 2k60 h ARG 69 Cb 0.45 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 2k60 h ARG 69 CO -0.18 0.21 0.01 -0.97 0.10 0.00 0.00 179.97 179.14 2k60 h ASN 70 N 0.00 0.09 0.51 0.08 -0.73 0.16 0.45 115.58 116.15 2k60 h ASN 70 Ca -0.00 -0.25 -0.10 0.00 1.87 0.00 0.00 56.30 57.81 2k60 h ASN 70 Cb 0.41 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 2k60 h ASN 70 CO 0.03 0.32 -0.48 0.40 -0.37 0.00 0.00 177.43 177.32 2k60 h ILE 71 N -0.14 1.32 -0.17 2.57 5.03 -0.87 0.10 117.51 125.35 2k60 h ILE 71 Ca 0.02 -1.67 -0.15 0.00 -0.12 0.00 0.00 64.86 62.94 2k60 h ILE 71 Cb 0.27 1.91 -0.01 0.00 -3.03 0.00 0.00 36.82 35.96 2k60 h ILE 71 CO 0.00 0.47 -0.51 0.45 -0.68 0.00 0.00 178.15 177.88 2k60 h HIS 72 N 0.00 0.58 0.00 1.37 3.86 -1.06 -2.81 115.15 117.09 2k60 h HIS 72 Ca -0.00 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 58.96 2k60 h HIS 72 Cb 0.87 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 2k60 h HIS 72 CO 0.00 0.89 -0.23 1.57 0.86 0.00 0.00 177.93 181.02 2k60 h LYS 73 N 0.37 0.00 -0.99 2.45 5.09 0.62 -3.26 116.57 120.85 2k60 h LYS 73 Ca 0.01 0.00 0.28 0.00 0.09 0.00 0.00 60.65 61.03 2k60 h LYS 73 Cb 1.03 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.31 2k60 h LYS 73 CO 0.09 0.23 0.70 1.25 -2.09 0.00 0.00 179.45 179.63 2k60 h LEU 74 N 0.00 0.10 0.09 7.07 5.85 -0.54 0.41 115.31 128.29 2k60 h LEU 74 Ca -0.00 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 2k60 h LEU 74 Cb 0.81 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.85 2k60 h LEU 74 CO 0.03 0.03 -0.74 0.24 -0.34 0.00 0.00 178.44 177.65 2k60 h MET 75 N 0.09 0.35 -6.90 1.25 2.86 -1.72 -3.45 114.93 107.42 2k60 h MET 75 Ca 0.49 -0.49 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 2k60 h MET 75 Cb 1.77 0.17 0.10 0.00 0.06 0.00 0.00 31.60 33.70 2k60 h MET 75 CO -0.06 1.19 0.81 0.34 1.06 0.00 0.00 176.91 180.25 2k60 s ASP 76 N -6.90 6.36 0.05 1.22 -1.08 0.13 -3.45 116.67 113.02 2k60 s ASP 76 Ca -0.13 3.01 -0.15 0.00 -0.52 0.00 0.00 52.55 54.75 2k60 s ASP 76 Cb 0.02 -2.66 -0.30 0.00 -1.46 0.00 0.00 42.92 38.52 2k60 s ASP 76 CO 0.83 -0.88 1.09 -0.78 0.52 0.00 0.00 175.17 175.95 2k60 h ASP 77 N 3.62 0.87 -0.00 -0.34 3.58 -1.79 -3.35 116.42 119.02 2k60 h ASP 77 Ca -0.50 -0.84 0.00 0.00 0.42 0.00 0.00 57.03 56.12 2k60 h ASP 77 Cb 1.23 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2k60 h ASP 77 CO 0.69 1.62 -0.81 -0.90 -2.88 0.00 0.00 179.24 176.96 2k60 n ASP 78 N -3.80 1.02 -3.39 2.28 5.75 -1.26 -5.01 116.55 112.13 2k60 n ASP 78 Ca -0.14 -1.01 -0.20 0.00 -0.01 0.00 0.00 54.79 53.43 2k60 n ASP 78 Cb 0.99 0.93 0.06 0.00 -1.03 0.00 0.00 41.12 42.07 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 -1.24 -2.45 1.18 2.12 0.00 -1.26 -4.93 120.51 113.93 2k60 n ALA 79 Ca 0.04 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.62 2k60 n ALA 79 Cb 0.31 -4.97 0.29 0.00 0.00 0.00 0.00 19.45 15.08 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 -3.07 2.35 0.00 0.00 6.94 -1.26 -4.90 115.26 115.31 2k60 n ASN 80 Ca -0.10 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 2k60 n ASN 80 Cb 0.62 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 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 1.28 1.40 2.88 4.83 0.00 -1.26 -5.02 105.19 109.30 2k60 n GLY 81 Ca 0.16 0.00 -0.19 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 -1.72 0.78 -0.50 1.61 1.47 -1.26 -3.19 116.67 113.85 2k60 s ASP 82 Ca 0.00 -0.10 -0.22 0.00 1.18 0.00 0.00 52.55 53.40 2k60 s ASP 82 Cb 0.00 -0.36 0.04 0.00 -0.34 0.00 0.00 42.92 42.25 2k60 s ASP 82 CO 0.00 -0.05 0.80 -0.69 0.68 0.00 0.00 175.17 175.91 2k60 s VAL 83 N 0.84 4.61 0.78 2.11 1.01 0.13 -4.87 120.40 125.00 2k60 s VAL 83 Ca -0.10 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 2k60 s VAL 83 Cb -0.13 -4.40 0.08 0.00 0.00 0.00 0.00 36.38 31.93 2k60 s VAL 83 CO -0.00 -0.89 1.12 -0.62 0.00 0.00 0.00 175.10 174.71 2k60 s ASP 84 N 2.54 4.53 0.32 3.32 2.15 -1.26 -1.83 116.67 126.43 2k60 s ASP 84 Ca 0.26 0.58 0.07 0.00 0.43 0.00 0.00 52.55 53.89 2k60 s ASP 84 Cb -0.14 -1.10 0.53 0.00 -0.30 0.00 0.00 42.92 41.90 2k60 s ASP 84 CO 0.18 -1.84 1.75 -0.37 -0.17 0.00 0.00 175.17 174.73 2k60 h VAL 85 N -0.90 1.28 0.00 1.11 -1.51 -1.96 -1.80 116.25 112.47 2k60 h VAL 85 Ca -0.45 -1.34 -0.17 0.00 -1.23 0.00 0.00 66.70 63.50 2k60 h VAL 85 Cb 1.32 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 32.01 2k60 h VAL 85 CO 0.61 0.40 -0.82 -0.33 -1.23 0.00 0.00 177.57 176.20 2k60 h GLU 86 N 0.22 0.00 0.02 5.19 5.08 -2.00 -3.26 114.58 119.83 2k60 h GLU 86 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2k60 h GLU 86 Cb 0.71 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2k60 h GLU 86 CO 0.05 0.82 -0.48 0.93 -1.00 0.00 0.00 179.01 179.33 2k60 h GLU 87 N 0.00 0.29 -0.01 2.33 5.08 -1.80 -3.31 114.58 117.16 2k60 h GLU 87 Ca -0.01 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2k60 h GLU 87 Cb 1.56 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.91 2k60 h GLU 87 CO 0.11 1.06 0.00 -1.13 -1.00 0.00 0.00 179.01 178.05 2k60 n SER 88 N -4.32 0.36 -0.41 1.42 3.41 -0.71 -3.91 113.62 109.45 2k60 n SER 88 Ca -0.11 -1.19 -0.10 0.00 -0.26 0.00 0.00 58.87 57.22 2k60 n SER 88 Cb 0.63 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.55 -2.08 0.16 4.04 3.58 -1.65 0.01 116.42 121.03 2k60 h ASP 89 Ca 0.00 0.33 -0.27 0.00 0.42 0.00 0.00 57.03 57.50 2k60 h ASP 89 Cb 0.12 0.93 0.01 0.00 1.72 0.00 0.00 39.33 42.11 2k60 h ASP 89 CO 0.00 -0.24 -1.32 1.05 -2.88 0.00 0.00 179.24 175.85 2k60 h GLU 90 N -0.00 0.33 0.06 0.28 4.11 -1.90 -3.41 114.58 114.05 2k60 h GLU 90 Ca 0.18 -0.57 0.03 0.00 0.07 0.00 0.00 59.36 59.07 2k60 h GLU 90 Cb 0.43 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 2k60 h GLU 90 CO -0.94 1.27 -0.34 0.74 0.07 0.00 0.00 179.01 179.81 2k60 h PHE 91 N -0.18 -0.94 -0.20 2.06 0.04 -1.57 -1.50 116.94 114.66 2k60 h PHE 91 Ca -0.26 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.53 2k60 h PHE 91 Cb 1.85 0.40 -0.01 0.00 2.20 0.00 0.00 35.95 40.40 2k60 h PHE 91 CO 0.14 -0.44 0.10 1.25 -0.60 0.00 0.00 178.31 178.77 2k60 h LEU 92 N -0.53 0.25 0.20 1.54 5.85 -1.29 0.22 115.31 121.55 2k60 h LEU 92 Ca 0.04 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2k60 h LEU 92 Cb 0.59 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2k60 h LEU 92 CO -0.24 0.29 -0.40 0.03 -0.34 0.00 0.00 178.44 177.77 2k60 h ARG 93 N 0.20 -0.63 0.27 1.25 3.08 -1.68 -1.93 114.38 114.94 2k60 h ARG 93 Ca 0.07 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2k60 h ARG 93 Cb 0.10 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2k60 h ARG 93 CO -0.01 -0.42 -0.13 0.93 -1.07 0.00 0.00 179.97 179.27 2k60 h GLU 94 N -0.66 -0.35 -0.54 0.04 4.39 -1.27 0.62 114.58 116.81 2k60 h GLU 94 Ca -0.02 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.86 2k60 h GLU 94 Cb 0.62 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2k60 h GLU 94 CO -0.16 -0.11 0.44 -0.44 -1.16 0.00 0.00 179.01 177.59 2k60 h ASP 95 N -1.04 0.00 0.00 1.42 3.32 -0.55 -1.55 116.42 118.03 2k60 h ASP 95 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2k60 h ASP 95 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2k60 h ASP 95 CO 0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 2k60 n LEU 96 N -4.11 0.00 -0.00 1.55 -0.00 -0.78 -3.54 117.00 110.13 2k60 n LEU 96 Ca 0.10 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.20 2k60 n LEU 96 Cb 0.66 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.97 2k60 n LEU 96 CO 0.34 0.00 -0.10 0.59 -0.00 0.00 0.00 177.39 178.22 2k60 n ASN 97 N 0.00 0.85 -0.58 1.45 5.03 -0.02 -4.67 115.26 117.32 2k60 n ASN 97 Ca 0.00 -0.86 -0.04 0.00 0.87 0.00 0.00 54.58 54.56 2k60 n ASN 97 Cb 0.07 1.07 -0.02 0.00 -1.02 0.00 0.00 39.78 39.89 2k60 n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k60 n TYR 98 N -1.49 -0.29 0.00 3.10 0.18 0.20 -3.89 117.16 114.96 2k60 n TYR 98 Ca 0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.81 2k60 n TYR 98 Cb 0.30 -1.50 0.00 0.00 -0.38 0.00 0.00 39.34 37.76 2k60 n TYR 98 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 2k60 n HIS 99 N -1.14 -0.29 -3.85 -3.48 -0.00 -1.20 -4.95 115.22 100.31 2k60 n HIS 99 Ca -0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.56 2k60 n HIS 99 Cb 0.23 0.06 -0.12 0.00 -0.00 0.00 0.00 29.99 30.16 2k60 n HIS 99 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2k60 s ASP 100 N 1.51 -0.06 0.00 0.26 2.15 -1.25 -4.73 116.67 114.54 2k60 s ASP 100 Ca 0.00 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.04 2k60 s ASP 100 Cb 0.00 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.87 2k60 s ASP 100 CO 0.00 -0.18 0.00 -0.81 -0.17 0.00 0.00 175.17 174.01 2k60 n PRO 101 N 2.35 0.00 0.00 4.34 -0.04 -1.26 -4.81 135.00 135.58 2k60 n PRO 101 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2k60 n PRO 101 Cb 0.57 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 2k60 n PRO 101 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k60 n THR 102 N 0.00 0.00 0.26 0.52 -1.04 -1.26 -3.97 114.28 108.80 2k60 n THR 102 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 2k60 n THR 102 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 2k60 n THR 102 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k60 h VAL 103 N 0.00 0.23 -0.82 12.58 2.07 -1.98 0.26 116.25 128.59 2k60 h VAL 103 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2k60 h VAL 103 Cb 0.00 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 2k60 h VAL 103 CO 0.00 0.00 0.54 0.11 0.02 0.00 0.00 177.57 178.24 2k60 h LYS 104 N -0.82 0.99 0.79 1.57 1.79 -1.93 0.66 116.57 119.61 2k60 h LYS 104 Ca -0.04 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 2k60 h LYS 104 Cb 0.72 -0.22 0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2k60 h LYS 104 CO -0.03 0.65 -0.38 0.45 -1.08 0.00 0.00 179.45 179.06 2k60 h HIS 105 N 1.02 -0.99 0.00 -1.35 3.86 -1.75 -1.08 115.15 114.86 2k60 h HIS 105 Ca 0.33 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.45 2k60 h HIS 105 Cb 0.04 0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2k60 h HIS 105 CO -0.00 -0.61 -0.28 0.77 0.86 0.00 0.00 177.93 178.67 2k60 h SER 106 N -1.07 0.00 -0.14 2.45 0.02 -0.49 -1.36 113.55 112.96 2k60 h SER 106 Ca -0.11 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 2k60 h SER 106 Cb 0.82 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 2k60 h SER 106 CO 0.18 0.28 -0.05 0.74 -1.14 0.00 0.00 176.83 176.84 2k60 h THR 107 N 0.00 1.30 0.23 -2.27 2.02 0.36 -2.27 112.91 112.29 2k60 h THR 107 Ca -0.00 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 2k60 h THR 107 Cb 0.97 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2k60 h THR 107 CO 0.04 0.30 -0.11 0.15 0.37 0.00 0.00 175.52 176.27 2k60 h PHE 108 N -0.05 -0.29 0.06 3.16 3.57 -0.93 -3.40 116.94 119.06 2k60 h PHE 108 Ca 0.03 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k60 h PHE 108 Cb 0.49 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2k60 h PHE 108 CO 0.06 -0.18 -0.03 0.45 -2.23 0.00 0.00 178.31 176.38 2k60 h HIS 109 N -0.87 -0.07 0.00 0.41 3.86 -1.43 -3.48 115.15 113.57 2k60 h HIS 109 Ca -0.03 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2k60 h HIS 109 Cb 0.24 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2k60 h HIS 109 CO 0.01 0.36 0.00 0.41 0.86 0.00 0.00 177.93 179.57 2k60 n GLY 110 N 1.39 2.55 1.02 2.45 0.00 -0.85 -4.43 105.19 107.31 2k60 n GLY 110 Ca -0.05 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 3.13 -3.91 1.61 2.13 -1.26 -4.86 120.64 117.48 2k60 n GLU 111 Ca 0.00 -2.53 -0.03 0.00 0.66 0.00 0.00 57.16 55.27 2k60 n GLU 111 Cb 0.00 -1.61 0.02 0.00 0.27 0.00 0.00 31.44 30.12 2k60 n GLU 111 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k60 s ASP 112 N -1.21 0.02 0.00 4.31 2.15 -1.26 -5.08 116.67 115.59 2k60 s ASP 112 Ca 0.37 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.71 2k60 s ASP 112 Cb 0.24 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 43.33 2k60 s ASP 112 CO 0.18 -0.93 0.42 0.29 -0.17 0.00 0.00 175.17 174.96 2k60 n LYS 113 N -0.75 0.04 -2.26 4.34 4.76 -1.26 -4.33 118.16 118.70 2k60 n LYS 113 Ca -0.02 -0.50 -0.34 0.00 -2.87 0.00 0.00 58.31 54.59 2k60 n LYS 113 Cb 0.59 -0.79 -0.01 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 -0.15 3.68 -0.08 -0.35 1.02 -1.26 -4.75 118.68 116.79 2k60 s LEU 114 Ca 0.00 1.97 0.04 0.00 0.02 0.00 0.00 54.13 56.16 2k60 s LEU 114 Cb 0.00 -4.56 0.00 0.00 0.02 0.00 0.00 46.19 41.65 2k60 s LEU 114 CO 0.00 -1.08 -0.22 -0.63 0.02 0.00 0.00 176.35 174.45 2k60 s ILE 115 N -2.09 1.85 0.02 -0.59 -1.09 -0.76 -4.35 121.20 114.19 2k60 s ILE 115 Ca 0.68 -0.91 0.03 0.00 -2.23 0.00 0.00 60.65 58.22 2k60 s ILE 115 Cb -0.19 -1.60 -0.01 0.00 -1.58 0.00 0.00 42.46 39.08 2k60 s ILE 115 CO 0.28 0.51 -0.09 -0.44 -1.23 0.00 0.00 174.94 173.98 2k60 s SER 116 N 0.30 1.04 0.13 3.58 0.01 -1.26 0.18 113.70 117.68 2k60 s SER 116 Ca -0.15 -0.31 -0.15 0.00 1.31 0.00 0.00 55.95 56.65 2k60 s SER 116 Cb -0.17 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 2k60 s SER 116 CO 0.07 0.00 1.59 -0.37 0.41 0.00 0.00 173.24 174.94 2k60 h VAL 117 N 4.74 1.25 -0.02 3.43 -1.51 -1.90 -1.43 116.25 120.81 2k60 h VAL 117 Ca -0.33 -0.93 -0.19 0.00 -1.23 0.00 0.00 66.70 64.02 2k60 h VAL 117 Cb 1.19 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 2k60 h VAL 117 CO 0.46 0.32 -0.83 1.05 -1.23 0.00 0.00 177.57 177.34 2k60 h GLU 118 N 0.53 0.25 -0.00 5.19 -0.00 -1.98 0.77 114.58 119.34 2k60 h GLU 118 Ca 0.12 -0.25 -0.14 0.00 -0.00 0.00 0.00 59.36 59.09 2k60 h GLU 118 Cb 0.41 0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 29.21 2k60 h GLU 118 CO 0.01 0.95 -0.68 0.22 -0.00 0.00 0.00 179.01 179.51 2k60 h ASP 119 N 0.15 0.02 -0.47 3.06 3.58 -1.96 -1.00 116.42 119.80 2k60 h ASP 119 Ca -0.04 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.29 2k60 h ASP 119 Cb 1.43 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.46 2k60 h ASP 119 CO 0.13 0.69 -0.10 -0.07 -2.88 0.00 0.00 179.24 177.02 2k60 h LEU 120 N 0.01 0.90 -0.61 2.28 3.38 -1.04 -0.75 115.31 119.49 2k60 h LEU 120 Ca -0.01 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 57.72 2k60 h LEU 120 Cb 1.20 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 2k60 h LEU 120 CO 0.09 1.04 0.14 -0.25 0.09 0.00 0.00 178.44 179.56 2k60 h TRP 121 N 0.74 0.23 -0.33 1.13 7.01 -0.13 0.58 115.95 125.19 2k60 h TRP 121 Ca 0.12 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.19 2k60 h TRP 121 Cb 0.64 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.66 2k60 h TRP 121 CO 0.05 -0.02 0.14 0.87 -2.79 0.00 0.00 178.44 176.69 2k60 h LYS 122 N 0.28 0.29 0.19 2.65 6.56 -0.85 -1.46 116.57 124.23 2k60 h LYS 122 Ca 0.32 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.88 2k60 h LYS 122 Cb 0.47 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 2k60 h LYS 122 CO -0.39 0.19 -0.09 0.00 -2.06 0.00 0.00 179.45 177.10 2k60 h ALA 123 N 1.19 -0.25 -0.55 3.86 0.00 -0.09 -2.65 119.26 120.76 2k60 h ALA 123 Ca 0.14 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2k60 h ALA 123 Cb 0.08 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2k60 h ALA 123 CO -0.12 -0.57 0.19 2.35 0.00 0.00 0.00 179.25 181.10 2k60 h TRP 124 N -0.40 0.33 -0.00 0.00 7.01 0.21 0.37 115.95 123.47 2k60 h TRP 124 Ca -0.03 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2k60 h TRP 124 Cb 0.31 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 2k60 h TRP 124 CO -0.02 0.09 -0.13 0.87 -2.79 0.00 0.00 178.44 176.46 2k60 h LYS 125 N 0.37 0.00 0.00 2.65 1.57 -1.22 -2.14 116.57 117.79 2k60 h LYS 125 Ca 0.27 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2k60 h LYS 125 Cb 0.31 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2k60 h LYS 125 CO -0.28 0.13 -1.06 0.45 -0.57 0.00 0.00 179.45 178.13 2k60 n SER 126 N -4.38 0.68 -4.86 0.86 2.88 -0.16 -4.77 113.62 103.87 2k60 n SER 126 Ca -0.03 0.14 -0.30 0.00 -1.33 0.00 0.00 58.87 57.35 2k60 n SER 126 Cb 0.20 0.65 0.08 0.00 -0.75 0.00 0.00 64.21 64.39 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 -4.76 4.70 0.48 -3.46 0.01 0.11 -4.94 113.70 105.85 2k60 s SER 127 Ca 0.01 1.04 0.23 0.00 1.31 0.00 0.00 55.95 58.54 2k60 s SER 127 Cb 0.12 -1.71 1.21 0.00 0.21 0.00 0.00 66.02 65.85 2k60 s SER 127 CO 0.79 -1.81 1.99 -0.33 0.41 0.00 0.00 173.24 174.29 2k60 h GLU 128 N -0.98 0.00 -0.10 12.44 4.39 -1.89 -3.17 114.58 125.26 2k60 h GLU 128 Ca -0.46 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.27 2k60 h GLU 128 Cb 1.29 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.88 2k60 h GLU 128 CO 0.63 0.18 -0.50 0.28 -1.16 0.00 0.00 179.01 178.44 2k60 h VAL 129 N 0.00 0.05 0.00 3.13 2.07 -1.90 0.17 116.25 119.77 2k60 h VAL 129 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k60 h VAL 129 Cb 0.45 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2k60 h VAL 129 CO 0.02 0.00 0.00 0.22 0.02 0.00 0.00 177.57 177.83 2k60 h TYR 130 N -0.58 0.00 0.06 1.57 3.20 -1.51 -1.98 116.97 117.73 2k60 h TYR 130 Ca 0.04 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.67 2k60 h TYR 130 Cb 0.68 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2k60 h TYR 130 CO -0.54 0.00 -1.10 -0.97 -1.64 0.00 0.00 178.16 173.91 2k60 h ASN 131 N 0.00 0.23 -2.19 -2.11 -0.73 -1.26 -3.43 115.58 106.09 2k60 h ASN 131 Ca 0.00 -0.24 -0.58 0.00 1.87 0.00 0.00 56.30 57.36 2k60 h ASN 131 Cb 0.46 -0.07 0.02 0.00 0.27 0.00 0.00 38.32 38.99 2k60 h ASN 131 CO 0.00 1.17 1.14 0.79 -0.37 0.00 0.00 177.43 180.16 2k60 n TRP 132 N -3.47 2.42 -1.34 0.67 8.01 0.48 -4.92 117.44 119.29 2k60 n TRP 132 Ca -0.04 -0.15 -0.05 0.00 -1.31 0.00 0.00 57.50 55.95 2k60 n TRP 132 Cb 0.97 -2.72 0.03 0.00 -2.01 0.00 0.00 31.31 27.58 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 5.22 0.00 0.01 -0.99 5.66 -1.26 -1.15 114.28 121.78 2k60 n THR 133 Ca 0.21 -0.19 -0.02 0.00 -3.05 0.00 0.00 64.05 61.01 2k60 n THR 133 Cb 0.34 -1.82 0.26 0.00 -1.55 0.00 0.00 70.33 67.56 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 -1.03 1.23 -0.51 1.08 2.07 -1.95 -2.41 116.25 114.73 2k60 h VAL 134 Ca -0.07 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 2k60 h VAL 134 Cb 0.21 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2k60 h VAL 134 CO 0.06 0.33 0.21 0.44 0.02 0.00 0.00 177.57 178.63 2k60 h ASP 135 N 0.45 0.69 -0.07 0.57 5.19 -1.93 -0.48 116.42 120.84 2k60 h ASP 135 Ca 0.08 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 2k60 h ASP 135 Cb 0.50 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 2k60 h ASP 135 CO 0.03 0.67 0.01 -0.33 -3.12 0.00 0.00 179.24 176.50 2k60 h GLU 136 N 0.68 0.11 -0.31 3.56 4.39 -1.84 -1.49 114.58 119.68 2k60 h GLU 136 Ca 0.17 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 2k60 h GLU 136 Cb 0.19 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2k60 h GLU 136 CO -0.01 0.34 -0.11 -0.24 -1.16 0.00 0.00 179.01 177.83 2k60 h VAL 137 N -0.14 1.23 0.01 3.13 3.04 -1.37 -0.77 116.25 121.38 2k60 h VAL 137 Ca 0.02 -1.01 -0.00 0.00 -1.01 0.00 0.00 66.70 64.70 2k60 h VAL 137 Cb 0.29 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2k60 h VAL 137 CO 0.00 0.33 -0.01 0.58 -1.01 0.00 0.00 177.57 177.47 2k60 h VAL 138 N 0.49 1.05 -0.13 1.51 2.07 -0.88 0.28 116.25 120.63 2k60 h VAL 138 Ca 0.09 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 2k60 h VAL 138 Cb 0.48 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2k60 h VAL 138 CO 0.03 0.04 -0.30 0.06 0.02 0.00 0.00 177.57 177.42 2k60 h GLN 139 N -0.09 0.24 -0.11 1.57 3.07 -1.00 -1.63 115.11 117.16 2k60 h GLN 139 Ca -0.00 -0.09 -0.05 0.00 0.09 0.00 0.00 58.65 58.60 2k60 h GLN 139 Cb 0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.63 2k60 h GLN 139 CO 0.00 0.53 -0.11 2.35 0.09 0.00 0.00 178.83 181.69 2k60 h TRP 140 N 0.21 0.33 -0.59 0.06 2.91 -0.80 -0.90 115.95 117.17 2k60 h TRP 140 Ca 0.03 -0.10 -0.08 0.00 1.13 0.00 0.00 58.89 59.88 2k60 h TRP 140 Cb 0.65 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.21 2k60 h TRP 140 CO 0.01 0.69 0.07 1.37 -1.03 0.00 0.00 178.44 179.55 2k60 h LEU 141 N -0.13 0.93 -0.04 0.65 8.10 -0.24 0.26 115.31 124.85 2k60 h LEU 141 Ca 0.02 -0.22 -0.03 0.00 0.11 0.00 0.00 57.88 57.76 2k60 h LEU 141 Cb 0.64 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 40.61 2k60 h LEU 141 CO 0.03 0.95 -0.07 0.16 -4.11 0.00 0.00 178.44 175.40 2k60 h ILE 142 N 0.92 1.42 0.00 0.15 3.07 -1.25 0.29 117.51 122.11 2k60 h ILE 142 Ca 0.18 -1.35 -0.05 0.00 1.55 0.00 0.00 64.86 65.19 2k60 h ILE 142 Cb 0.43 2.22 -0.01 0.00 -0.27 0.00 0.00 36.82 39.20 2k60 h ILE 142 CO 0.01 0.37 -0.25 0.00 -1.05 0.00 0.00 178.15 177.24 2k60 h THR 143 N -0.37 0.70 0.00 0.16 1.03 -0.98 -0.87 112.91 112.57 2k60 h THR 143 Ca 0.00 -1.07 -0.19 0.00 -0.01 0.00 0.00 66.41 65.14 2k60 h THR 143 Cb 0.63 1.68 -0.03 0.00 -1.07 0.00 0.00 68.15 69.36 2k60 h THR 143 CO 0.02 0.24 -1.67 -1.22 -0.01 0.00 0.00 175.52 172.88 2k60 n TYR 144 N -3.56 0.00 0.12 0.00 4.01 0.07 -4.66 117.16 113.15 2k60 n TYR 144 Ca -0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2k60 n TYR 144 Cb 0.39 -0.43 0.06 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.31 1.20 -0.24 -0.72 2.07 -0.53 -3.47 116.25 114.25 2k60 h VAL 145 Ca -0.29 -2.45 -0.07 0.00 0.82 0.00 0.00 66.70 64.71 2k60 h VAL 145 Cb 1.30 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.48 2k60 h VAL 145 CO -0.14 0.63 -0.07 -0.62 0.02 0.00 0.00 177.57 177.39 2k60 n GLU 146 N -3.39 -0.25 -3.44 1.57 1.02 -0.33 -4.92 120.64 110.89 2k60 n GLU 146 Ca 0.01 0.52 -0.43 0.00 -0.02 0.00 0.00 57.16 57.23 2k60 n GLU 146 Cb 0.74 -4.17 -0.09 0.00 -0.02 0.00 0.00 31.44 27.89 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 -0.84 5.23 -0.19 -4.62 2.01 -1.24 -4.95 118.68 114.08 2k60 s LEU 147 Ca 0.00 -1.00 0.04 0.00 0.01 0.00 0.00 54.13 53.18 2k60 s LEU 147 Cb 0.00 -2.16 0.36 0.00 0.01 0.00 0.00 46.19 44.40 2k60 s LEU 147 CO 0.00 -0.49 1.35 -0.81 1.01 0.00 0.00 176.35 177.40 2k60 n PRO 148 N 5.17 2.10 -0.63 1.29 -0.04 -1.26 -3.99 135.00 137.64 2k60 n PRO 148 Ca -0.11 -1.54 0.09 0.00 -0.04 0.00 0.00 63.50 61.89 2k60 n PRO 148 Cb 0.46 -1.70 0.35 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.11 3.75 -0.33 0.54 0.00 -1.26 -4.60 117.38 115.36 2k60 n GLN 149 Ca 0.25 -2.76 0.05 0.00 0.00 0.00 0.00 57.00 54.54 2k60 n GLN 149 Cb 0.97 -1.92 0.21 0.00 0.00 0.00 0.00 30.24 29.50 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 3.89 1.02 0.10 2.61 -0.00 -1.96 0.10 116.97 122.74 2k60 h TYR 150 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.76 2k60 h TYR 150 Cb 1.46 -0.32 0.00 0.00 -0.00 0.00 0.00 36.73 37.87 2k60 h TYR 150 CO 0.78 0.41 -0.05 1.49 -0.00 0.00 0.00 178.16 180.79 2k60 h GLU 151 N 0.91 -0.13 -0.25 0.10 4.81 -1.95 0.85 114.58 118.93 2k60 h GLU 151 Ca 0.45 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 2k60 h GLU 151 Cb 0.43 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2k60 h GLU 151 CO -0.26 0.01 0.12 0.93 -0.73 0.00 0.00 179.01 179.08 2k60 h GLU 152 N -0.24 0.37 -0.45 1.92 5.08 -1.67 0.76 114.58 120.34 2k60 h GLU 152 Ca -0.01 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2k60 h GLU 152 Cb 0.19 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2k60 h GLU 152 CO 0.02 0.36 -0.18 0.00 -1.00 0.00 0.00 179.01 178.22 2k60 h THR 153 N 0.28 1.27 -0.29 1.13 1.03 -0.92 0.81 112.91 116.22 2k60 h THR 153 Ca 0.09 -1.33 -0.11 0.00 -0.01 0.00 0.00 66.41 65.05 2k60 h THR 153 Cb 0.12 1.17 -0.01 0.00 -1.07 0.00 0.00 68.15 68.36 2k60 h THR 153 CO -0.01 0.45 -0.28 2.19 -0.01 0.00 0.00 175.52 177.86 2k60 h PHE 154 N 0.76 0.66 0.00 0.00 -5.15 -0.59 0.64 116.94 113.26 2k60 h PHE 154 Ca 0.11 -0.16 -0.06 0.00 -0.20 0.00 0.00 57.97 57.66 2k60 h PHE 154 Cb 0.75 -0.16 -0.01 0.00 0.22 0.00 0.00 35.95 36.75 2k60 h PHE 154 CO 0.05 0.80 -0.27 0.07 -2.00 0.00 0.00 178.31 176.97 2k60 h ARG 155 N 0.50 0.00 0.02 6.09 0.11 -0.56 0.15 114.38 120.69 2k60 h ARG 155 Ca 0.07 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 2k60 h ARG 155 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2k60 h ARG 155 CO 0.06 0.27 -0.01 0.87 0.10 0.00 0.00 179.97 181.26 2k60 h LYS 156 N 0.00 -0.02 0.00 0.08 1.79 -0.23 -3.43 116.57 114.76 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 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2k60 h LYS 156 CO 0.03 0.75 -0.17 1.47 -1.08 0.00 0.00 179.45 180.45 2k60 n LEU 157 N -4.69 0.00 -2.99 2.94 -0.00 0.16 -5.08 117.00 107.34 2k60 n LEU 157 Ca -0.08 -0.34 -0.11 0.00 -0.00 0.00 0.00 56.01 55.47 2k60 n LEU 157 Cb 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.81 2k60 n LEU 157 CO 0.29 0.00 -0.25 0.00 -0.00 0.00 0.00 177.39 177.43 2k60 n GLN 158 N -0.95 -2.32 -2.44 1.47 6.02 0.53 -4.99 117.38 114.70 2k60 n GLN 158 Ca 0.00 1.99 -0.28 0.00 -0.01 0.00 0.00 57.00 58.70 2k60 n GLN 158 Cb 0.00 -4.23 0.01 0.00 1.02 0.00 0.00 30.24 27.04 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 -2.08 3.48 0.00 1.08 2.34 -1.26 -4.91 118.68 117.33 2k60 s LEU 159 Ca 0.17 1.00 0.00 0.00 0.06 0.00 0.00 54.13 55.36 2k60 s LEU 159 Cb -0.03 -3.95 0.00 0.00 -0.56 0.00 0.00 46.19 41.65 2k60 s LEU 159 CO 0.69 -0.71 0.00 -1.54 -1.06 0.00 0.00 176.35 173.72 2k60 n SER 160 N -2.41 0.00 0.30 1.48 3.41 -1.26 -3.71 113.62 111.43 2k60 n SER 160 Ca 0.02 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.78 2k60 n SER 160 Cb 0.55 0.00 0.91 0.00 -0.26 0.00 0.00 64.21 65.42 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 1.00 5.00 0.00 -1.20 0.23 103.07 108.10 2k60 h GLY 161 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2k60 h GLY 161 CO 0.00 0.00 -1.51 -2.39 0.00 0.00 0.00 176.54 172.64 2k60 n HIS 162 N -3.79 1.01 0.10 5.60 -0.00 -1.26 -3.83 115.22 113.05 2k60 n HIS 162 Ca -0.03 0.35 -0.04 0.00 -0.00 0.00 0.00 57.72 58.00 2k60 n HIS 162 Cb 0.10 -1.13 0.13 0.00 -0.00 0.00 0.00 29.99 29.09 2k60 n HIS 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k60 h ALA 163 N 1.26 0.88 -0.49 1.59 0.00 -1.55 -2.22 119.26 118.74 2k60 h ALA 163 Ca -0.21 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.23 2k60 h ALA 163 Cb 1.75 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.35 2k60 h ALA 163 CO 0.06 0.74 -0.46 0.52 0.00 0.00 0.00 179.25 180.11 2k60 h MET 164 N 0.13 -0.28 -0.19 0.00 2.86 -0.71 0.66 114.93 117.40 2k60 h MET 164 Ca -0.01 0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 2k60 h MET 164 Cb 1.10 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 2k60 h MET 164 CO 0.09 -0.19 -0.59 -1.00 1.06 0.00 0.00 176.91 176.28 2k60 h PRO 165 N -0.29 0.62 0.00 -0.22 0.13 -1.74 -2.03 132.00 128.47 2k60 h PRO 165 Ca 0.14 -0.42 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2k60 h PRO 165 Cb 0.57 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 2k60 h PRO 165 CO -0.64 1.03 -0.02 0.07 -0.23 0.00 0.00 178.00 178.22 2k60 h ARG 166 N 0.47 0.00 0.00 0.86 -0.00 -0.58 -2.14 114.38 112.99 2k60 h ARG 166 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2k60 h ARG 166 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.13 2k60 h ARG 166 CO 0.11 0.02 -1.25 1.47 -0.00 0.00 0.00 179.97 180.32 2k60 n LEU 167 N -3.17 0.68 0.00 0.08 -0.00 0.22 -4.32 117.00 110.49 2k60 n LEU 167 Ca -0.01 -0.30 0.11 0.00 -0.00 0.00 0.00 56.01 55.81 2k60 n LEU 167 Cb 0.20 -0.02 0.55 0.00 -0.00 0.00 0.00 43.42 44.15 2k60 n LEU 167 CO 0.25 0.16 0.87 0.00 -0.00 0.00 0.00 177.39 178.67 2k60 n ALA 168 N -1.74 2.14 -4.02 1.47 0.00 -0.77 -4.56 120.51 113.03 2k60 n ALA 168 Ca 0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 2k60 n ALA 168 Cb 0.40 -1.38 -0.16 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 -2.72 1.58 0.24 0.00 0.11 -1.25 -4.35 120.40 114.02 2k60 s VAL 169 Ca 0.18 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 2k60 s VAL 169 Cb 0.15 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 2k60 s VAL 169 CO 0.38 0.45 0.00 0.35 -3.33 0.00 0.00 175.10 172.95 2k60 n THR 170 N 4.77-11.36 0.28 5.04 -2.24 -1.26 -4.54 114.28 104.97 2k60 n THR 170 Ca -0.17 3.17 0.14 0.00 -2.27 0.00 0.00 64.05 64.92 2k60 n THR 170 Cb 0.50 -4.87 0.81 0.00 -2.10 0.00 0.00 70.33 64.68 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 4.10 0.00 -0.78 3.42 7.08 -1.86 -2.18 115.58 125.36 2k60 h ASN 171 Ca 0.00 0.00 0.15 0.00 -3.08 0.00 0.00 56.30 53.37 2k60 h ASN 171 Cb 0.00 0.00 -0.10 0.00 -2.08 0.00 0.00 38.32 36.14 2k60 h ASN 171 CO 0.00 0.07 0.33 0.74 -2.08 0.00 0.00 177.43 176.49 2k60 h THR 172 N 0.00 0.65 -0.25 6.14 2.02 -1.89 0.19 112.91 119.78 2k60 h THR 172 Ca -0.00 -0.16 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 2k60 h THR 172 Cb 0.20 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2k60 h THR 172 CO 0.01 0.09 -0.35 0.74 0.37 0.00 0.00 175.52 176.38 2k60 h THR 173 N 0.47 1.31 0.17 3.16 2.02 -1.63 -3.34 112.91 115.08 2k60 h THR 173 Ca 0.43 -1.54 -0.31 0.00 0.77 0.00 0.00 66.41 65.76 2k60 h THR 173 Cb 0.66 1.70 0.03 0.00 -1.74 0.00 0.00 68.15 68.80 2k60 h THR 173 CO -0.41 0.49 -1.33 -0.03 0.37 0.00 0.00 175.52 174.61 2k60 h MET 174 N 0.40 0.50 -6.17 6.66 1.85 -1.38 -3.43 114.93 113.36 2k60 h MET 174 Ca 0.03 -0.77 -0.59 0.00 -0.61 0.00 0.00 59.70 57.76 2k60 h MET 174 Cb 0.93 0.28 -0.08 0.00 0.43 0.00 0.00 31.60 33.16 2k60 h MET 174 CO 0.08 1.36 0.68 -0.08 -0.40 0.00 0.00 176.91 178.55 2k60 s THR 175 N -2.77 4.55 0.00 -0.77 -1.32 0.58 -4.92 115.64 111.00 2k60 s THR 175 Ca -0.08 1.35 0.00 0.00 -1.21 0.00 0.00 61.69 61.75 2k60 s THR 175 Cb 0.05 -4.36 0.00 0.00 -1.51 0.00 0.00 72.50 66.68 2k60 s THR 175 CO 0.93 -0.53 0.00 0.61 -2.21 0.00 0.00 174.62 173.41 2k60 n GLY 176 N 4.25 1.07 0.00 6.08 0.00 -1.26 -4.86 105.19 110.47 2k60 n GLY 176 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.78 0.00 -3.21 2.61 -1.04 -1.26 -4.95 114.28 105.65 2k60 n THR 177 Ca 0.00 0.34 -0.01 0.00 -2.04 0.00 0.00 64.05 62.34 2k60 n THR 177 Cb 0.00 -1.06 -0.02 0.00 -1.82 0.00 0.00 70.33 67.43 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 -0.67 -0.87 -0.18 12.58 0.11 -1.26 -5.02 120.40 125.09 2k60 s VAL 178 Ca 0.00 -0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 58.78 2k60 s VAL 178 Cb 0.00 -0.88 -0.09 0.00 -1.53 0.00 0.00 36.38 33.88 2k60 s VAL 178 CO 0.00 -0.11 -0.10 0.18 -3.33 0.00 0.00 175.10 171.74 2k60 n LEU 179 N 5.25 1.85 -3.70 2.54 4.32 -1.26 -4.96 117.00 121.04 2k60 n LEU 179 Ca 0.05 0.51 -0.13 0.00 -0.02 0.00 0.00 56.01 56.41 2k60 n LEU 179 Cb 0.53 -0.88 -0.09 0.00 -1.62 0.00 0.00 43.42 41.36 2k60 n LEU 179 CO -0.04 -0.13 0.19 -0.75 -1.22 0.00 0.00 177.39 175.44 2k60 s LYS 180 N -2.39 0.60 0.06 3.23 2.20 -1.26 -4.86 119.74 117.33 2k60 s LYS 180 Ca -0.23 0.67 -0.15 0.00 -0.36 0.00 0.00 55.97 55.89 2k60 s LYS 180 Cb 0.05 0.29 -0.20 0.00 -1.51 0.00 0.00 37.83 36.45 2k60 s LYS 180 CO 0.38 -0.08 1.21 1.98 -0.36 0.00 0.00 175.35 178.48 2k60 h MET 181 N 5.25 0.64 -6.44 4.03 1.85 -2.01 -3.43 114.93 114.83 2k60 h MET 181 Ca -0.28 -0.61 -0.56 0.00 -0.61 0.00 0.00 59.70 57.64 2k60 h MET 181 Cb 1.17 0.16 -0.05 0.00 0.43 0.00 0.00 31.60 33.31 2k60 h MET 181 CO 0.20 1.22 1.12 0.95 -0.40 0.00 0.00 176.91 180.00 2k60 s THR 182 N -3.47 3.79 0.15 -0.77 -4.23 -1.26 -4.89 115.64 104.96 2k60 s THR 182 Ca -0.11 0.76 -0.23 0.00 -1.18 0.00 0.00 61.69 60.94 2k60 s THR 182 Cb 0.06 -4.18 0.04 0.00 1.34 0.00 0.00 72.50 69.76 2k60 s THR 182 CO 0.88 -0.83 1.62 0.44 -0.54 0.00 0.00 174.62 176.19 2k60 h ASP 183 N 11.30 -0.87 -0.11 3.99 3.32 -1.99 0.16 116.42 132.21 2k60 h ASP 183 Ca -0.28 0.15 -0.14 0.00 0.02 0.00 0.00 57.03 56.79 2k60 h ASP 183 Cb 1.11 0.41 0.01 0.00 0.22 0.00 0.00 39.33 41.08 2k60 h ASP 183 CO 1.11 -0.30 -0.46 0.08 -1.72 0.00 0.00 179.24 177.95 2k60 h ARG 184 N -0.26 0.51 -0.75 3.56 -0.00 -1.98 -1.45 114.38 114.01 2k60 h ARG 184 Ca 0.15 -0.40 -0.03 0.00 -0.00 0.00 0.00 59.98 59.69 2k60 h ARG 184 Cb 0.49 0.08 -0.03 0.00 -0.00 0.00 0.00 29.97 30.50 2k60 h ARG 184 CO -0.43 1.03 0.33 1.03 -0.00 0.00 0.00 179.97 181.93 2k60 h SER 185 N 0.11 1.00 0.19 0.08 0.87 -1.91 0.26 113.55 114.15 2k60 h SER 185 Ca -0.03 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2k60 h SER 185 Cb 1.10 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2k60 h SER 185 CO 0.10 0.87 -0.09 -0.74 -0.53 0.00 0.00 176.83 176.43 2k60 h HIS 186 N 1.08 -0.23 -0.64 2.24 -0.00 -0.65 -1.45 115.15 115.50 2k60 h HIS 186 Ca 0.26 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.57 2k60 h HIS 186 Cb 0.15 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 2k60 h HIS 186 CO 0.02 0.01 0.19 0.07 -0.00 0.00 0.00 177.93 178.21 2k60 h ARG 187 N -0.46 0.98 -0.40 5.26 0.11 -0.69 -1.50 114.38 117.69 2k60 h ARG 187 Ca -0.03 -0.20 -0.05 0.00 0.10 0.00 0.00 59.98 59.81 2k60 h ARG 187 Cb 0.35 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 2k60 h ARG 187 CO 0.04 0.85 0.06 1.96 0.10 0.00 0.00 179.97 182.98 2k60 h GLN 188 N 0.94 0.66 -0.08 0.08 1.08 -0.39 0.39 115.11 117.80 2k60 h GLN 188 Ca 0.21 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2k60 h GLN 188 Cb 0.28 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2k60 h GLN 188 CO -0.01 0.71 -0.02 0.87 -0.95 0.00 0.00 178.83 179.43 2k60 h LYS 189 N 0.51 0.15 -0.35 1.46 1.79 -1.08 -0.98 116.57 118.07 2k60 h LYS 189 Ca 0.12 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2k60 h LYS 189 Cb 0.37 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2k60 h LYS 189 CO 0.01 0.49 0.17 -0.07 -1.08 0.00 0.00 179.45 178.96 2k60 h LEU 190 N -0.20 0.45 -0.66 2.94 -0.00 -1.18 -1.87 115.31 114.80 2k60 h LEU 190 Ca 0.02 -0.13 -0.11 0.00 -0.00 0.00 0.00 57.88 57.66 2k60 h LEU 190 Cb 0.44 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 2k60 h LEU 190 CO 0.01 0.45 -0.13 0.06 -0.00 0.00 0.00 178.44 178.83 2k60 h GLN 191 N 0.42 0.91 -0.01 1.13 3.07 -0.23 0.34 115.11 120.74 2k60 h GLN 191 Ca 0.12 -0.33 0.03 0.00 0.09 0.00 0.00 58.65 58.55 2k60 h GLN 191 Cb 0.12 -0.06 -0.03 0.00 0.08 0.00 0.00 27.48 27.58 2k60 h GLN 191 CO -0.01 0.98 -0.17 1.25 0.09 0.00 0.00 178.83 180.96 2k60 h LEU 192 N 0.81 -0.51 0.06 0.06 7.12 -0.92 0.15 115.31 122.08 2k60 h LEU 192 Ca 0.13 0.07 -0.12 0.00 0.13 0.00 0.00 57.88 58.09 2k60 h LEU 192 Cb 0.66 0.21 0.01 0.00 -0.53 0.00 0.00 40.66 41.02 2k60 h LEU 192 CO 0.05 -0.24 -0.51 0.11 -0.13 0.00 0.00 178.44 177.72 2k60 h LYS 193 N -0.28 0.24 -0.42 1.25 6.56 -1.12 -1.80 116.57 120.99 2k60 h LYS 193 Ca 0.06 -0.34 -0.13 0.00 -1.06 0.00 0.00 60.65 59.18 2k60 h LYS 193 Cb 0.36 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2k60 h LYS 193 CO -0.17 1.11 -0.24 0.00 -2.06 0.00 0.00 179.45 178.09 2k60 h ALA 194 N 0.15 0.78 -0.25 3.86 0.00 -0.33 0.46 119.26 123.92 2k60 h ALA 194 Ca -0.08 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2k60 h ALA 194 Cb 1.33 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k60 h ALA 194 CO 0.10 0.65 -0.27 1.25 0.00 0.00 0.00 179.25 180.99 2k60 h LEU 195 N 0.75 0.67 -1.37 0.00 5.85 -0.79 0.20 115.31 120.61 2k60 h LEU 195 Ca 0.10 -0.48 0.09 0.00 0.84 0.00 0.00 57.88 58.42 2k60 h LEU 195 Cb 0.79 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2k60 h LEU 195 CO 0.07 1.01 0.50 -0.78 -0.34 0.00 0.00 178.44 178.90 2k60 h ASP 196 N 0.33 0.64 0.11 1.25 3.58 -1.08 -0.71 116.42 120.55 2k60 h ASP 196 Ca 0.04 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2k60 h ASP 196 Cb 0.83 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2k60 h ASP 196 CO 0.07 0.39 -0.05 0.74 -2.88 0.00 0.00 179.24 177.50 2k60 h THR 197 N 0.72 1.08 0.00 2.25 2.02 -0.51 0.27 112.91 118.74 2k60 h THR 197 Ca 0.35 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 2k60 h THR 197 Cb 0.41 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2k60 h THR 197 CO -0.13 0.26 -0.12 -0.37 0.37 0.00 0.00 175.52 175.53 2k60 h VAL 198 N -0.73 0.54 0.03 3.16 -1.51 -0.28 -0.19 116.25 117.27 2k60 h VAL 198 Ca -0.02 -0.56 -0.19 0.00 -1.23 0.00 0.00 66.70 64.70 2k60 h VAL 198 Cb 0.54 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 2k60 h VAL 198 CO 0.03 0.12 -1.04 -0.07 -1.23 0.00 0.00 177.57 175.38 2k60 h LEU 199 N 0.00 0.11 0.00 4.19 3.38 -1.15 -3.40 115.31 118.44 2k60 h LEU 199 Ca -0.00 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.24 2k60 h LEU 199 Cb 0.36 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k60 h LEU 199 CO 0.02 1.42 -0.39 0.33 0.09 0.00 0.00 178.44 179.91 2k60 n PHE 200 N -4.31 0.00 -0.47 1.13 7.35 0.88 -4.95 117.46 117.08 2k60 n PHE 200 Ca -0.25 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.44 2k60 n PHE 200 Cb 0.70 -0.17 0.00 0.00 0.35 0.00 0.00 39.48 40.37 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41