#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 0.00 0.09 1.61 7.64 -1.26 -4.80 113.62 116.90 2k60 n SER -4 Ca 0.00 -0.94 -0.19 0.00 1.01 0.00 0.00 58.87 58.75 2k60 n SER -4 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 2k60 n SER -4 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2k60 h HIS -3 N 0.94 0.60 -4.15 1.43 3.86 -2.01 -3.47 115.15 112.35 2k60 h HIS -3 Ca 0.00 -0.44 -0.13 0.00 -1.16 0.00 0.00 60.37 58.64 2k60 h HIS -3 Cb 0.00 -0.02 -0.14 0.00 1.06 0.00 0.00 27.41 28.30 2k60 h HIS -3 CO 0.00 1.41 -0.53 0.00 0.86 0.00 0.00 177.93 179.67 2k60 s MET -2 N -2.62 0.88 -1.50 2.45 0.00 -1.26 -4.88 119.30 112.36 2k60 s MET -2 Ca -0.08 -1.23 0.00 0.00 0.00 0.00 0.00 55.69 54.38 2k60 s MET -2 Cb 0.06 0.28 0.00 0.00 0.00 0.00 0.00 34.83 35.17 2k60 s MET -2 CO 0.88 -0.26 0.00 0.00 0.00 0.00 0.00 175.02 175.65 2k60 n ALA -1 N -0.06 -0.44 0.00 3.16 0.00 -1.26 -4.81 120.51 117.11 2k60 n ALA -1 Ca -0.10 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2k60 n ALA -1 Cb 0.63 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.07 0.60 0.00 0.00 3.41 -1.26 -4.75 113.62 110.54 2k60 n SER 0 Ca -0.19 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2k60 n SER 0 Cb 0.63 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.19 0.00 -0.00 4.04 7.64 -1.26 -4.84 113.62 119.00 2k60 n SER 58 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k60 n SER 58 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 -0.01 -2.86 1.43 -0.58 -1.26 -5.05 120.64 112.31 2k60 n GLU 59 Ca 0.00 0.01 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 2k60 n GLU 59 Cb 0.00 -0.01 0.01 0.00 -0.57 0.00 0.00 31.44 30.87 2k60 n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2k60 n ASP 60 N -2.08 -7.82 -4.46 1.62 2.03 -1.26 -4.93 116.55 99.65 2k60 n ASP 60 Ca -0.00 0.77 -0.44 0.00 0.52 0.00 0.00 54.79 55.64 2k60 n ASP 60 Cb 0.00 -5.08 -0.06 0.00 -0.72 0.00 0.00 41.12 35.27 2k60 n ASP 60 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k60 s GLU 61 N -2.27 3.16 -0.09 -0.67 2.02 -1.26 -4.83 118.70 114.76 2k60 s GLU 61 Ca 0.18 -0.79 -0.06 0.00 0.02 0.00 0.00 54.97 54.31 2k60 s GLU 61 Cb -0.05 -4.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.04 2k60 s GLU 61 CO 0.76 -1.29 -0.14 1.63 0.02 0.00 0.00 175.26 176.24 2k60 n LYS 62 N 6.44 0.23 -1.79 1.61 4.76 -1.26 -4.95 118.16 123.20 2k60 n LYS 62 Ca -0.05 0.10 -0.32 0.00 -2.87 0.00 0.00 58.31 55.17 2k60 n LYS 62 Cb 0.46 -0.89 0.03 0.00 -1.84 0.00 0.00 35.03 32.79 2k60 n LYS 62 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2k60 s LEU 63 N -6.79 3.27 0.04 -0.35 2.96 -1.26 -4.95 118.68 111.60 2k60 s LEU 63 Ca -0.14 1.64 -0.24 0.00 -0.22 0.00 0.00 54.13 55.17 2k60 s LEU 63 Cb 0.05 -4.50 -0.16 0.00 0.50 0.00 0.00 46.19 42.07 2k60 s LEU 63 CO 0.19 -1.24 1.48 0.28 -1.32 0.00 0.00 176.35 175.73 2k60 h SER 64 N -0.25 0.08 -0.34 3.68 0.02 -1.98 -2.74 113.55 112.01 2k60 h SER 64 Ca -0.45 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.23 2k60 h SER 64 Cb 1.21 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 2k60 h SER 64 CO 0.58 0.34 0.20 0.15 -1.14 0.00 0.00 176.83 176.96 2k60 h PHE 65 N -0.19 0.38 -0.71 3.45 3.57 -1.99 -0.14 116.94 121.31 2k60 h PHE 65 Ca 0.01 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2k60 h PHE 65 Cb 0.30 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2k60 h PHE 65 CO 0.02 0.23 0.18 1.05 -2.23 0.00 0.00 178.31 177.56 2k60 h GLU 66 N 0.42 1.14 0.16 1.11 4.11 -1.96 0.11 114.58 119.67 2k60 h GLU 66 Ca 0.13 -0.27 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 2k60 h GLU 66 Cb -0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2k60 h GLU 66 CO -0.06 0.99 -0.08 0.00 0.07 0.00 0.00 179.01 179.93 2k60 h ALA 67 N 1.11 -0.22 -0.19 1.06 0.00 -1.14 -0.78 119.26 119.11 2k60 h ALA 67 Ca 0.23 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2k60 h ALA 67 Cb 0.36 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2k60 h ALA 67 CO 0.00 -0.51 -0.19 0.28 0.00 0.00 0.00 179.25 178.83 2k60 h VAL 68 N -0.44 0.50 -0.16 0.00 2.07 -0.81 -0.25 116.25 117.15 2k60 h VAL 68 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2k60 h VAL 68 Cb 0.35 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2k60 h VAL 68 CO 0.04 0.00 -0.03 0.08 0.02 0.00 0.00 177.57 177.68 2k60 h ARG 69 N -0.21 0.23 -0.15 1.57 0.11 -0.73 -1.46 114.38 113.74 2k60 h ARG 69 Ca 0.12 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 60.08 2k60 h ARG 69 Cb 0.39 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 2k60 h ARG 69 CO -0.32 0.28 -0.24 -0.91 0.10 0.00 0.00 179.97 178.88 2k60 h ASN 70 N 0.23 0.48 0.39 0.08 4.21 0.44 0.38 115.58 121.78 2k60 h ASN 70 Ca 0.05 -0.53 -0.11 0.00 1.21 0.00 0.00 56.30 56.92 2k60 h ASN 70 Cb 0.21 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 2k60 h ASN 70 CO 0.01 0.92 -0.48 0.40 -1.29 0.00 0.00 177.43 176.98 2k60 h ILE 71 N 0.05 1.35 -0.77 2.81 5.03 -0.98 -0.90 117.51 124.11 2k60 h ILE 71 Ca 0.01 -1.68 -0.02 0.00 -0.12 0.00 0.00 64.86 63.05 2k60 h ILE 71 Cb 0.82 1.85 -0.04 0.00 -3.03 0.00 0.00 36.82 36.42 2k60 h ILE 71 CO 0.06 0.49 0.42 -0.74 -0.68 0.00 0.00 178.15 177.70 2k60 h HIS 72 N 0.09 1.06 0.00 1.37 6.17 -1.12 -2.40 115.15 120.33 2k60 h HIS 72 Ca 0.00 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.04 2k60 h HIS 72 Cb 0.89 -0.34 -0.00 0.00 2.52 0.00 0.00 27.41 30.48 2k60 h HIS 72 CO 0.01 0.74 -0.07 -0.22 0.71 0.00 0.00 177.93 179.10 2k60 h LYS 73 N 1.07 0.00 -0.33 5.26 1.63 0.10 0.13 116.57 124.43 2k60 h LYS 73 Ca 0.27 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.17 2k60 h LYS 73 Cb 0.04 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2k60 h LYS 73 CO -0.04 0.07 0.40 -0.07 -3.45 0.00 0.00 179.45 176.36 2k60 h LEU 74 N 0.00 0.00 0.00 5.20 3.38 -0.67 -2.38 115.31 120.84 2k60 h LEU 74 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 2k60 h LEU 74 Cb 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 2k60 h LEU 74 CO 0.01 0.00 -2.22 0.23 0.09 0.00 0.00 178.44 176.55 2k60 n MET 75 N -3.60 0.63 -2.99 1.13 2.81 0.24 -4.76 117.12 110.58 2k60 n MET 75 Ca 0.05 0.11 -0.44 0.00 -1.81 0.00 0.00 57.70 55.61 2k60 n MET 75 Cb 0.56 -1.43 -0.02 0.00 -0.71 0.00 0.00 33.22 31.62 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 -5.97 6.83 0.23 7.83 2.15 0.03 -2.79 116.67 124.98 2k60 s ASP 76 Ca -0.27 -2.50 -0.13 0.00 0.43 0.00 0.00 52.55 50.08 2k60 s ASP 76 Cb 0.07 -2.37 0.29 0.00 -0.30 0.00 0.00 42.92 40.60 2k60 s ASP 76 CO 0.52 -0.87 1.60 -0.78 -0.17 0.00 0.00 175.17 175.47 2k60 h ASP 77 N 8.06 -0.78 0.49 -0.34 3.58 -1.85 -0.61 116.42 124.97 2k60 h ASP 77 Ca 0.21 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.89 2k60 h ASP 77 Cb 0.97 0.49 0.00 0.00 1.72 0.00 0.00 39.33 42.51 2k60 h ASP 77 CO 1.12 -0.26 -0.31 -0.90 -2.88 0.00 0.00 179.24 176.01 2k60 n ASP 78 N -5.49 0.54 -3.38 2.28 5.68 -1.26 -4.83 116.55 110.09 2k60 n ASP 78 Ca 0.10 -0.34 -0.14 0.00 -0.50 0.00 0.00 54.79 53.91 2k60 n ASP 78 Cb 0.38 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 2k60 n ASP 78 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k60 n ALA 79 N -1.22 -2.66 0.47 2.12 0.00 -0.24 -4.89 120.51 114.10 2k60 n ALA 79 Ca 0.09 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.64 2k60 n ALA 79 Cb 0.33 -1.44 0.11 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.85 2.66 0.00 0.00 6.94 -1.26 -4.92 115.26 116.82 2k60 n ASN 80 Ca -0.13 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.65 2k60 n ASN 80 Cb 0.59 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 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 0.97 3.15 4.83 0.00 -1.26 -5.04 105.19 108.82 2k60 n GLY 81 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.84 -0.28 -0.16 1.61 1.47 -1.26 -0.38 116.67 115.82 2k60 s ASP 82 Ca 0.00 0.55 -0.25 0.00 1.18 0.00 0.00 52.55 54.03 2k60 s ASP 82 Cb 0.00 0.54 -0.02 0.00 -0.34 0.00 0.00 42.92 43.10 2k60 s ASP 82 CO 0.00 -0.10 0.81 0.68 0.68 0.00 0.00 175.17 177.23 2k60 s VAL 83 N 0.30 4.91 0.53 2.11 -7.23 0.14 -4.84 120.40 116.31 2k60 s VAL 83 Ca -0.01 1.59 -0.09 0.00 -1.81 0.00 0.00 61.98 61.66 2k60 s VAL 83 Cb -0.03 -4.12 -0.04 0.00 0.56 0.00 0.00 36.38 32.75 2k60 s VAL 83 CO -0.01 0.05 0.89 -0.62 -0.31 0.00 0.00 175.10 175.10 2k60 s ASP 84 N 1.13 6.30 0.52 4.85 2.15 -1.26 -3.35 116.67 127.01 2k60 s ASP 84 Ca 0.38 1.18 0.18 0.00 0.43 0.00 0.00 52.55 54.72 2k60 s ASP 84 Cb -0.17 -2.36 1.34 0.00 -0.30 0.00 0.00 42.92 41.43 2k60 s ASP 84 CO 0.13 -0.67 2.15 -0.37 -0.17 0.00 0.00 175.17 176.24 2k60 h VAL 85 N 0.15 0.93 0.07 1.11 -1.51 -1.96 -1.10 116.25 113.93 2k60 h VAL 85 Ca -0.46 -0.09 -0.24 0.00 -1.23 0.00 0.00 66.70 64.68 2k60 h VAL 85 Cb 1.20 1.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 2k60 h VAL 85 CO 0.62 0.02 -1.10 -0.33 -1.23 0.00 0.00 177.57 175.55 2k60 h GLU 86 N 0.00 0.18 0.21 5.19 4.39 -1.98 -3.18 114.58 119.39 2k60 h GLU 86 Ca -0.00 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 2k60 h GLU 86 Cb 0.05 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2k60 h GLU 86 CO 0.00 1.11 -0.10 0.93 -1.16 0.00 0.00 179.01 179.79 2k60 h GLU 87 N 0.06 -0.28 -0.00 2.33 5.08 -1.55 -3.25 114.58 116.97 2k60 h GLU 87 Ca -0.08 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k60 h GLU 87 Cb 1.82 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2k60 h GLU 87 CO 0.17 0.09 0.00 -1.13 -1.00 0.00 0.00 179.01 177.14 2k60 n SER 88 N -5.03 0.17 -0.34 1.42 3.41 -0.53 -4.45 113.62 108.27 2k60 n SER 88 Ca -0.09 -1.09 -0.09 0.00 -0.26 0.00 0.00 58.87 57.35 2k60 n SER 88 Cb 0.26 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 2k60 n SER 88 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k60 n ASP 89 N -0.85 -0.86 0.03 4.04 2.03 -1.20 -0.69 116.55 119.05 2k60 n ASP 89 Ca 0.23 1.63 -0.20 0.00 0.52 0.00 0.00 54.79 56.97 2k60 n ASP 89 Cb 0.13 -0.28 -0.14 0.00 -0.72 0.00 0.00 41.12 40.11 2k60 n ASP 89 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2k60 h GLU 90 N 0.00 0.28 0.06 -0.67 4.81 -1.86 -3.39 114.58 113.80 2k60 h GLU 90 Ca 0.13 -0.47 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 2k60 h GLU 90 Cb 0.33 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2k60 h GLU 90 CO -0.76 1.23 -0.47 0.74 -0.73 0.00 0.00 179.01 179.01 2k60 h PHE 91 N -0.37 -1.36 -0.41 0.92 0.04 -1.61 -1.41 116.94 112.73 2k60 h PHE 91 Ca -0.19 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 2k60 h PHE 91 Cb 1.66 0.59 -0.02 0.00 2.20 0.00 0.00 35.95 40.38 2k60 h PHE 91 CO 0.18 -0.55 0.25 1.25 -0.60 0.00 0.00 178.31 178.84 2k60 h LEU 92 N -0.67 0.50 0.07 1.54 5.85 -1.14 0.10 115.31 121.56 2k60 h LEU 92 Ca 0.02 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2k60 h LEU 92 Cb 0.71 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2k60 h LEU 92 CO -0.30 0.41 -0.28 0.03 -0.34 0.00 0.00 178.44 177.96 2k60 h ARG 93 N 0.55 -0.39 0.24 1.25 3.08 -1.64 -2.25 114.38 115.21 2k60 h ARG 93 Ca 0.15 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2k60 h ARG 93 Cb 0.00 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2k60 h ARG 93 CO -0.03 -0.26 -0.11 0.93 -1.07 0.00 0.00 179.97 179.43 2k60 h GLU 94 N -0.40 -0.31 -1.08 0.04 5.08 -1.23 0.88 114.58 117.57 2k60 h GLU 94 Ca -0.00 0.02 0.29 0.00 -1.00 0.00 0.00 59.36 58.67 2k60 h GLU 94 Cb 0.40 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.63 2k60 h GLU 94 CO -0.15 0.02 0.71 -0.44 -1.00 0.00 0.00 179.01 178.16 2k60 h ASP 95 N -0.96 0.35 0.00 1.42 5.19 -0.77 -1.60 116.42 120.05 2k60 h ASP 95 Ca -0.03 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2k60 h ASP 95 Cb 0.47 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.00 2k60 h ASP 95 CO 0.05 0.05 0.00 0.00 -3.12 0.00 0.00 179.24 176.22 2k60 n LEU 96 N -4.55 0.10 0.00 1.55 -0.00 -0.86 -4.51 117.00 108.72 2k60 n LEU 96 Ca 0.26 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 2k60 n LEU 96 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.40 2k60 n LEU 96 CO 0.28 0.02 0.01 -3.20 -0.00 0.00 0.00 177.39 174.50 2k60 n ASN 97 N -0.01 0.03 0.00 1.45 4.05 -0.07 -4.85 115.26 115.86 2k60 n ASN 97 Ca 0.00 -0.51 0.00 0.00 0.45 0.00 0.00 54.58 54.52 2k60 n ASN 97 Cb 0.26 0.96 0.00 0.00 1.23 0.00 0.00 39.78 42.23 2k60 n ASN 97 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2k60 n TYR 98 N -0.96 0.00 0.00 1.20 4.02 0.29 -4.27 117.16 117.43 2k60 n TYR 98 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2k60 n TYR 98 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2k60 n TYR 98 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 2k60 n HIS 99 N 0.00 0.00 -4.00 -0.72 -0.00 -1.24 -3.87 115.22 105.38 2k60 n HIS 99 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 2k60 n HIS 99 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.84 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 -0.01 3.86 0.00 0.26 2.15 -1.26 -4.62 116.67 117.04 2k60 s ASP 100 Ca 0.00 -0.61 0.21 0.00 0.43 0.00 0.00 52.55 52.58 2k60 s ASP 100 Cb 0.00 -1.62 0.98 0.00 -0.30 0.00 0.00 42.92 41.98 2k60 s ASP 100 CO 0.00 -0.04 1.67 -0.81 -0.17 0.00 0.00 175.17 175.82 2k60 n PRO 101 N 4.69 1.41 -0.28 4.34 -0.04 -1.26 -4.28 135.00 139.58 2k60 n PRO 101 Ca -0.19 -0.61 0.07 0.00 -0.04 0.00 0.00 63.50 62.74 2k60 n PRO 101 Cb 0.50 -1.37 0.30 0.00 -0.04 0.00 0.00 33.50 32.89 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 1.27 0.96 0.11 0.52 2.02 -1.98 0.27 112.91 116.09 2k60 h THR 102 Ca 0.00 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.90 2k60 h THR 102 Cb 0.28 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 2k60 h THR 102 CO 0.00 0.16 -0.24 1.62 0.37 0.00 0.00 175.52 177.43 2k60 h VAL 103 N 0.87 0.46 -0.07 3.16 3.04 -1.99 0.27 116.25 121.99 2k60 h VAL 103 Ca 0.41 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.09 2k60 h VAL 103 Cb 0.42 0.46 -0.00 0.00 -2.01 0.00 0.00 31.29 30.16 2k60 h VAL 103 CO -0.17 0.00 0.02 0.50 -1.01 0.00 0.00 177.57 176.91 2k60 h LYS 104 N -0.44 0.11 0.29 4.17 3.11 -1.55 -0.03 116.57 122.24 2k60 h LYS 104 Ca 0.03 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2k60 h LYS 104 Cb 0.47 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.65 2k60 h LYS 104 CO -0.14 0.29 -0.43 0.45 -2.81 0.00 0.00 179.45 176.81 2k60 h HIS 105 N -0.08 -1.19 0.00 1.91 3.86 -0.32 -1.07 115.15 118.25 2k60 h HIS 105 Ca 0.02 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 2k60 h HIS 105 Cb 0.22 0.48 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 2k60 h HIS 105 CO -0.00 -0.56 -0.31 0.77 0.86 0.00 0.00 177.93 178.69 2k60 h SER 106 N -0.78 0.00 -0.19 2.45 0.02 -0.49 -1.20 113.55 113.36 2k60 h SER 106 Ca -0.02 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2k60 h SER 106 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 2k60 h SER 106 CO -0.14 0.31 -0.08 0.74 -1.14 0.00 0.00 176.83 176.51 2k60 h THR 107 N 0.00 1.30 0.25 -2.27 2.02 -0.79 -2.44 112.91 110.99 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 0.88 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2k60 h THR 107 CO 0.04 0.34 -0.12 0.15 0.37 0.00 0.00 175.52 176.29 2k60 h PHE 108 N 0.08 -0.32 0.07 3.16 3.57 -0.89 -3.40 116.94 119.22 2k60 h PHE 108 Ca 0.04 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2k60 h PHE 108 Cb 0.56 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2k60 h PHE 108 CO 0.06 -0.20 -0.04 1.25 -2.23 0.00 0.00 178.31 177.16 2k60 h HIS 109 N -1.00 -0.09 0.00 0.41 2.76 -1.40 -3.47 115.15 112.36 2k60 h HIS 109 Ca -0.03 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2k60 h HIS 109 Cb 0.26 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.25 2k60 h HIS 109 CO 0.01 0.41 0.00 0.41 -1.30 0.00 0.00 177.93 177.46 2k60 n GLY 110 N 1.17 1.99 0.09 5.26 0.00 -0.92 -4.44 105.19 108.34 2k60 n GLY 110 Ca -0.07 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 45.83 2k60 n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k60 n GLU 111 N 0.00 0.71 -1.26 1.61 4.07 -1.26 -4.90 120.64 119.61 2k60 n GLU 111 Ca 0.00 -0.17 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 2k60 n GLU 111 Cb 0.00 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 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 -1.00 0.00 -0.05 4.31 -0.08 -1.26 -5.04 116.55 113.43 2k60 n ASP 112 Ca 0.16 -0.76 0.01 0.00 -1.51 0.00 0.00 54.79 52.68 2k60 n ASP 112 Cb 0.25 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.72 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 0.51 -2.46 -0.67 4.76 -1.26 -4.39 118.16 114.64 2k60 n LYS 113 Ca 0.00 -0.92 -0.35 0.00 -2.87 0.00 0.00 58.31 54.17 2k60 n LYS 113 Cb 0.00 -1.02 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 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 -0.41 3.94 -0.03 -0.35 1.02 -1.26 -4.81 118.68 116.78 2k60 s LEU 114 Ca 0.02 2.05 0.06 0.00 0.02 0.00 0.00 54.13 56.28 2k60 s LEU 114 Cb 0.01 -4.41 -0.01 0.00 0.02 0.00 0.00 46.19 41.80 2k60 s LEU 114 CO 0.02 -0.78 -0.20 -0.63 0.02 0.00 0.00 176.35 174.77 2k60 s ILE 115 N -1.79 1.63 0.02 -0.59 -1.09 -1.21 -4.24 121.20 113.92 2k60 s ILE 115 Ca 0.65 -0.86 0.06 0.00 -2.23 0.00 0.00 60.65 58.27 2k60 s ILE 115 Cb -0.21 -1.37 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 2k60 s ILE 115 CO 0.25 0.46 -0.18 -0.94 -1.23 0.00 0.00 174.94 173.30 2k60 s SER 116 N -0.27 2.16 0.26 3.58 1.04 -1.26 0.26 113.70 119.48 2k60 s SER 116 Ca 0.02 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 2k60 s SER 116 Cb -0.10 -0.20 0.34 0.00 0.10 0.00 0.00 66.02 66.16 2k60 s SER 116 CO 0.01 0.17 1.91 -0.37 0.98 0.00 0.00 173.24 175.94 2k60 h VAL 117 N 4.55 1.18 0.04 5.02 -1.51 -1.10 0.19 116.25 124.61 2k60 h VAL 117 Ca -0.39 -0.43 -0.22 0.00 -1.23 0.00 0.00 66.70 64.42 2k60 h VAL 117 Cb 1.16 -0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 2k60 h VAL 117 CO 0.46 0.23 -1.02 1.05 -1.23 0.00 0.00 177.57 177.07 2k60 h GLU 118 N 1.27 0.14 -0.12 5.19 4.11 -1.97 0.15 114.58 123.35 2k60 h GLU 118 Ca 0.40 -0.21 -0.16 0.00 0.07 0.00 0.00 59.36 59.46 2k60 h GLU 118 Cb -0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2k60 h GLU 118 CO -0.12 1.04 -0.62 -0.44 0.07 0.00 0.00 179.01 178.93 2k60 h ASP 119 N 0.06 0.49 -0.09 3.06 5.19 -1.79 0.52 116.42 123.85 2k60 h ASP 119 Ca -0.06 -0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 56.07 2k60 h ASP 119 Cb 1.72 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 41.08 2k60 h ASP 119 CO 0.15 0.99 0.04 -0.07 -3.12 0.00 0.00 179.24 177.23 2k60 h LEU 120 N 0.31 0.12 -0.39 1.55 3.38 -0.49 0.24 115.31 120.02 2k60 h LEU 120 Ca -0.01 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.92 2k60 h LEU 120 Cb 1.17 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 2k60 h LEU 120 CO 0.11 0.20 -0.24 -0.25 0.09 0.00 0.00 178.44 178.35 2k60 h TRP 121 N 0.02 -0.62 0.32 1.13 7.01 -0.38 0.57 115.95 124.00 2k60 h TRP 121 Ca 0.03 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 2k60 h TRP 121 Cb 0.12 0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 2k60 h TRP 121 CO -0.03 -0.32 -0.15 0.87 -2.79 0.00 0.00 178.44 176.02 2k60 h LYS 122 N -0.17 -0.42 -0.03 2.65 6.56 -0.77 -1.75 116.57 122.63 2k60 h LYS 122 Ca 0.19 0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.83 2k60 h LYS 122 Cb 0.47 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.19 2k60 h LYS 122 CO -0.50 -0.27 -0.14 0.00 -2.06 0.00 0.00 179.45 176.49 2k60 h ALA 123 N 0.23 -0.13 -0.42 3.86 0.00 0.02 -1.61 119.26 121.21 2k60 h ALA 123 Ca -0.04 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2k60 h ALA 123 Cb 0.34 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2k60 h ALA 123 CO 0.07 -0.62 0.12 2.35 0.00 0.00 0.00 179.25 181.17 2k60 h TRP 124 N -0.21 0.21 0.00 0.00 7.01 0.15 0.74 115.95 123.84 2k60 h TRP 124 Ca 0.06 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 2k60 h TRP 124 Cb 0.29 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 2k60 h TRP 124 CO -0.21 0.06 -0.18 0.87 -2.79 0.00 0.00 178.44 176.19 2k60 h LYS 125 N 0.27 0.00 0.00 2.65 1.57 -0.98 -2.43 116.57 117.65 2k60 h LYS 125 Ca 0.20 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.80 2k60 h LYS 125 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2k60 h LYS 125 CO -0.23 0.18 -1.44 0.45 -0.57 0.00 0.00 179.45 177.84 2k60 n SER 126 N -3.91 0.84 -4.81 0.86 2.88 -0.46 -4.73 113.62 104.30 2k60 n SER 126 Ca -0.02 0.37 -0.31 0.00 -1.33 0.00 0.00 58.87 57.59 2k60 n SER 126 Cb 0.27 0.17 0.07 0.00 -0.75 0.00 0.00 64.21 63.97 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 -5.78 5.00 0.57 -3.46 0.01 0.25 -4.91 113.70 105.37 2k60 s SER 127 Ca -0.03 1.57 0.26 0.00 1.31 0.00 0.00 55.95 59.06 2k60 s SER 127 Cb 0.09 -2.39 1.60 0.00 0.21 0.00 0.00 66.02 65.53 2k60 s SER 127 CO 0.81 -1.68 2.13 -0.33 0.41 0.00 0.00 173.24 174.58 2k60 h GLU 128 N -0.89 0.00 0.09 12.44 4.39 -1.88 -3.04 114.58 125.69 2k60 h GLU 128 Ca -0.45 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.26 2k60 h GLU 128 Cb 1.23 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.84 2k60 h GLU 128 CO 0.57 0.00 -0.41 0.28 -1.16 0.00 0.00 179.01 178.28 2k60 h VAL 129 N 0.00 0.00 0.00 3.13 2.07 -1.91 0.10 116.25 119.64 2k60 h VAL 129 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2k60 h VAL 129 Cb 0.36 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2k60 h VAL 129 CO -0.00 0.00 -0.11 0.22 0.02 0.00 0.00 177.57 177.70 2k60 h TYR 130 N -0.58 0.00 -0.00 1.57 3.20 -1.41 -1.55 116.97 118.20 2k60 h TYR 130 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2k60 h TYR 130 Cb 0.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2k60 h TYR 130 CO -0.42 0.11 -0.15 0.09 -1.64 0.00 0.00 178.16 176.14 2k60 n ASN 131 N -3.31 0.23 -4.67 -2.11 3.02 -0.74 -4.40 115.26 103.28 2k60 n ASN 131 Ca -0.00 0.03 -0.43 0.00 -0.03 0.00 0.00 54.58 54.15 2k60 n ASN 131 Cb 0.33 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 2k60 n ASN 131 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2k60 s TRP 132 N -2.86 3.27 0.41 3.10 0.51 0.28 -4.98 118.94 118.66 2k60 s TRP 132 Ca 0.17 1.38 -0.07 0.00 -2.12 0.00 0.00 56.10 55.47 2k60 s TRP 132 Cb 0.19 -3.31 0.09 0.00 -0.81 0.00 0.00 33.47 29.63 2k60 s TRP 132 CO 0.56 -0.74 0.55 -2.37 -0.51 0.00 0.00 176.95 174.44 2k60 n THR 133 N 5.11 0.00 -0.08 2.01 5.66 -1.26 -0.77 114.28 124.95 2k60 n THR 133 Ca 0.12 -0.41 -0.08 0.00 -3.05 0.00 0.00 64.05 60.62 2k60 n THR 133 Cb 0.46 -1.79 -0.01 0.00 -1.55 0.00 0.00 70.33 67.45 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 -1.31 0.98 -0.91 1.08 2.07 -1.94 -0.23 116.25 115.98 2k60 h VAL 134 Ca -0.18 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.26 2k60 h VAL 134 Cb 0.49 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2k60 h VAL 134 CO 0.13 0.05 0.60 0.44 0.02 0.00 0.00 177.57 178.81 2k60 h ASP 135 N 0.30 1.02 -0.19 0.57 5.19 -1.93 0.46 116.42 121.83 2k60 h ASP 135 Ca 0.12 -0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.35 2k60 h ASP 135 Cb 0.04 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.31 2k60 h ASP 135 CO -0.09 0.72 -0.54 -0.33 -3.12 0.00 0.00 179.24 175.88 2k60 h GLU 136 N 1.19 0.70 -0.19 3.56 4.39 -1.73 -1.49 114.58 121.01 2k60 h GLU 136 Ca 0.35 -0.50 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 2k60 h GLU 136 Cb -0.06 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2k60 h GLU 136 CO -0.09 1.12 -0.39 -0.24 -1.16 0.00 0.00 179.01 178.25 2k60 h VAL 137 N 0.40 1.30 0.26 3.13 3.04 -0.73 -1.03 116.25 122.62 2k60 h VAL 137 Ca -0.01 -1.52 -0.00 0.00 -1.01 0.00 0.00 66.70 64.16 2k60 h VAL 137 Cb 1.16 1.58 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 2k60 h VAL 137 CO 0.12 0.47 -0.20 0.58 -1.01 0.00 0.00 177.57 177.52 2k60 h VAL 138 N 0.36 0.57 -0.02 1.51 2.07 -0.72 0.56 116.25 120.58 2k60 h VAL 138 Ca 0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 2k60 h VAL 138 Cb 0.84 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2k60 h VAL 138 CO 0.07 0.00 -0.26 0.06 0.02 0.00 0.00 177.57 177.46 2k60 h GLN 139 N -0.47 0.03 -0.07 1.57 3.07 -1.16 -1.27 115.11 116.80 2k60 h GLN 139 Ca -0.01 -0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.60 2k60 h GLN 139 Cb 0.42 -0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.98 2k60 h GLN 139 CO -0.01 0.29 -0.42 2.35 0.09 0.00 0.00 178.83 181.14 2k60 h TRP 140 N 0.03 0.56 -0.52 0.06 2.91 -0.69 -1.49 115.95 116.81 2k60 h TRP 140 Ca 0.00 -0.25 -0.08 0.00 1.13 0.00 0.00 58.89 59.69 2k60 h TRP 140 Cb 0.48 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 2k60 h TRP 140 CO 0.00 1.01 0.00 1.37 -1.03 0.00 0.00 178.44 179.80 2k60 h LEU 141 N -0.05 0.85 -0.02 0.65 8.10 0.41 0.10 115.31 125.35 2k60 h LEU 141 Ca -0.03 -0.22 -0.01 0.00 0.11 0.00 0.00 57.88 57.73 2k60 h LEU 141 Cb 1.07 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 41.07 2k60 h LEU 141 CO 0.09 0.91 -0.03 0.16 -4.11 0.00 0.00 178.44 175.46 2k60 h ILE 142 N 0.81 1.44 0.00 0.15 3.07 -1.26 0.33 117.51 122.05 2k60 h ILE 142 Ca 0.15 -1.34 -0.05 0.00 1.55 0.00 0.00 64.86 65.17 2k60 h ILE 142 Cb 0.48 2.31 -0.01 0.00 -0.27 0.00 0.00 36.82 39.34 2k60 h ILE 142 CO 0.02 0.36 -0.26 0.00 -1.05 0.00 0.00 178.15 177.22 2k60 h THR 143 N -0.50 1.06 0.00 0.16 1.03 -1.07 -0.60 112.91 113.00 2k60 h THR 143 Ca 0.00 -0.92 -0.24 0.00 -0.01 0.00 0.00 66.41 65.25 2k60 h THR 143 Cb 0.59 1.51 -0.04 0.00 -1.07 0.00 0.00 68.15 69.15 2k60 h THR 143 CO 0.01 0.25 -1.71 -1.22 -0.01 0.00 0.00 175.52 172.84 2k60 n TYR 144 N -4.05 0.00 0.16 0.00 4.01 0.01 -4.60 117.16 112.69 2k60 n TYR 144 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.76 2k60 n TYR 144 Cb 0.32 -0.58 0.18 0.00 -0.31 0.00 0.00 39.34 38.95 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 -0.66 0.87 -0.51 -0.72 2.07 -0.49 -3.47 116.25 113.35 2k60 h VAL 145 Ca -0.36 -1.88 -0.14 0.00 0.82 0.00 0.00 66.70 65.14 2k60 h VAL 145 Cb 1.23 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 33.15 2k60 h VAL 145 CO -0.22 0.43 -0.14 -0.62 0.02 0.00 0.00 177.57 177.05 2k60 n GLU 146 N -3.36 -0.49 -3.41 1.57 1.02 -0.23 -4.91 120.64 110.83 2k60 n GLU 146 Ca 0.01 0.62 -0.44 0.00 -0.02 0.00 0.00 57.16 57.33 2k60 n GLU 146 Cb 0.63 -4.43 -0.08 0.00 -0.02 0.00 0.00 31.44 27.54 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 -1.65 5.53 -0.07 -4.62 2.01 -1.23 -4.94 118.68 113.71 2k60 s LEU 147 Ca 0.00 -1.27 0.03 0.00 0.01 0.00 0.00 54.13 52.90 2k60 s LEU 147 Cb 0.00 -2.17 0.19 0.00 0.01 0.00 0.00 46.19 44.21 2k60 s LEU 147 CO 0.00 -0.61 0.92 -0.81 1.01 0.00 0.00 176.35 176.85 2k60 n PRO 148 N 5.19 1.76 -0.49 1.29 -0.05 -1.26 -3.86 135.00 137.58 2k60 n PRO 148 Ca -0.12 -0.75 0.07 0.00 -0.05 0.00 0.00 63.50 62.65 2k60 n PRO 148 Cb 0.44 -1.57 0.28 0.00 -0.05 0.00 0.00 33.50 32.60 2k60 n PRO 148 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2k60 n GLN 149 N 0.14 3.14 -0.32 0.54 0.00 -1.26 -4.51 117.38 115.10 2k60 n GLN 149 Ca 0.09 -2.22 0.05 0.00 0.00 0.00 0.00 57.00 54.91 2k60 n GLN 149 Cb 0.56 -1.76 0.20 0.00 0.00 0.00 0.00 30.24 29.24 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 3.19 0.97 0.07 2.61 -0.00 -1.96 -0.35 116.97 121.50 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 1.19 -0.30 0.00 0.00 -0.00 0.00 0.00 36.73 37.62 2k60 h TYR 150 CO 0.61 0.39 -0.03 1.49 -0.00 0.00 0.00 178.16 180.61 2k60 h GLU 151 N 0.87 -0.09 0.10 0.10 4.81 -1.94 0.25 114.58 118.69 2k60 h GLU 151 Ca 0.44 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2k60 h GLU 151 Cb 0.42 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2k60 h GLU 151 CO -0.26 0.03 -0.05 0.93 -0.73 0.00 0.00 179.01 178.94 2k60 h GLU 152 N -0.19 -0.13 -0.47 1.92 5.08 -1.73 -1.08 114.58 117.97 2k60 h GLU 152 Ca -0.01 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2k60 h GLU 152 Cb 0.16 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2k60 h GLU 152 CO 0.02 -0.06 -0.03 0.00 -1.00 0.00 0.00 179.01 177.94 2k60 h THR 153 N -0.17 1.27 -0.35 1.13 1.03 -0.85 0.10 112.91 115.07 2k60 h THR 153 Ca -0.01 -1.11 -0.11 0.00 -0.01 0.00 0.00 66.41 65.16 2k60 h THR 153 Cb 0.13 1.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.24 2k60 h THR 153 CO 0.02 0.39 -0.24 2.19 -0.01 0.00 0.00 175.52 177.87 2k60 h PHE 154 N 0.71 0.79 0.00 0.00 -5.15 -0.42 0.26 116.94 113.13 2k60 h PHE 154 Ca 0.13 -0.18 -0.11 0.00 -0.20 0.00 0.00 57.97 57.61 2k60 h PHE 154 Cb 0.55 -0.19 -0.02 0.00 0.22 0.00 0.00 35.95 36.51 2k60 h PHE 154 CO 0.04 0.87 -0.54 0.07 -2.00 0.00 0.00 178.31 176.75 2k60 h ARG 155 N 0.61 0.00 0.00 6.09 0.11 -0.90 0.85 114.38 121.14 2k60 h ARG 155 Ca 0.08 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.16 2k60 h ARG 155 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 2k60 h ARG 155 CO 0.06 0.54 -0.00 0.87 0.10 0.00 0.00 179.97 181.54 2k60 h LYS 156 N 0.00 -0.00 0.00 0.08 1.79 -0.15 -3.41 116.57 114.88 2k60 h LYS 156 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k60 h LYS 156 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2k60 h LYS 156 CO 0.07 0.86 0.00 1.47 -1.08 0.00 0.00 179.45 180.77 2k60 n LEU 157 N -4.67 0.23 -3.02 2.94 -0.00 0.86 -5.07 117.00 108.27 2k60 n LEU 157 Ca -0.09 -0.59 -0.13 0.00 -0.00 0.00 0.00 56.01 55.20 2k60 n LEU 157 Cb 0.42 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.85 2k60 n LEU 157 CO 0.33 0.06 -0.22 0.00 -0.00 0.00 0.00 177.39 177.56 2k60 n GLN 158 N -0.71 -2.27 -3.26 1.47 6.02 0.29 -4.98 117.38 113.94 2k60 n GLN 158 Ca 0.00 1.94 -0.27 0.00 -0.01 0.00 0.00 57.00 58.66 2k60 n GLN 158 Cb 0.00 -4.16 -0.02 0.00 1.02 0.00 0.00 30.24 27.08 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 -2.16 3.99 0.00 1.08 2.34 -1.26 -4.88 118.68 117.79 2k60 s LEU 159 Ca 0.20 0.67 0.00 0.00 0.06 0.00 0.00 54.13 55.06 2k60 s LEU 159 Cb -0.04 -3.51 0.00 0.00 -0.56 0.00 0.00 46.19 42.08 2k60 s LEU 159 CO 0.71 -0.27 0.00 -1.54 -1.06 0.00 0.00 176.35 174.19 2k60 n SER 160 N -1.33 0.00 0.29 1.48 3.41 -1.26 -3.55 113.62 112.66 2k60 n SER 160 Ca -0.02 -0.22 0.15 0.00 -0.26 0.00 0.00 58.87 58.52 2k60 n SER 160 Cb 0.55 0.00 0.91 0.00 -0.26 0.00 0.00 64.21 65.40 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 1.52 5.00 0.00 -1.01 0.15 103.07 108.73 2k60 h GLY 161 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2k60 h GLY 161 CO 0.00 0.00 -1.27 0.84 0.00 0.00 0.00 176.54 176.11 2k60 h HIS 162 N 0.00 0.65 0.00 5.60 -0.00 -1.82 -3.23 115.15 116.35 2k60 h HIS 162 Ca -0.00 -0.46 -0.08 0.00 -0.00 0.00 0.00 60.37 59.83 2k60 h HIS 162 Cb 0.06 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2k60 h HIS 162 CO 0.00 1.34 -0.38 0.00 -0.00 0.00 0.00 177.93 178.89 2k60 h ALA 163 N 0.48 1.15 -0.21 5.26 0.00 -1.50 -2.16 119.26 122.29 2k60 h ALA 163 Ca -0.16 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.45 2k60 h ALA 163 Cb 1.97 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.63 2k60 h ALA 163 CO 0.22 0.48 -0.46 0.52 0.00 0.00 0.00 179.25 180.00 2k60 h MET 164 N 0.00 -0.46 -0.23 0.00 2.86 -0.78 0.77 114.93 117.09 2k60 h MET 164 Ca -0.00 0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.50 2k60 h MET 164 Cb 0.78 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 2k60 h MET 164 CO 0.05 -0.31 -0.53 -1.00 1.06 0.00 0.00 176.91 176.18 2k60 h PRO 165 N -0.48 0.68 0.00 -0.22 0.13 -1.71 -1.99 132.00 128.41 2k60 h PRO 165 Ca 0.08 -0.42 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2k60 h PRO 165 Cb 0.63 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 2k60 h PRO 165 CO -0.46 1.04 -0.06 0.07 -0.23 0.00 0.00 178.00 178.37 2k60 h ARG 166 N 0.53 0.00 0.00 0.86 -0.00 -0.65 -1.65 114.38 113.46 2k60 h ARG 166 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.99 2k60 h ARG 166 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 2k60 h ARG 166 CO 0.11 0.06 -1.12 1.47 -0.00 0.00 0.00 179.97 180.49 2k60 n LEU 167 N -3.73 0.62 0.19 0.08 -0.00 0.26 -4.23 117.00 110.19 2k60 n LEU 167 Ca -0.02 -0.13 0.14 0.00 -0.00 0.00 0.00 56.01 55.99 2k60 n LEU 167 Cb 0.16 -0.07 0.56 0.00 -0.00 0.00 0.00 43.42 44.07 2k60 n LEU 167 CO 0.28 0.09 0.91 0.00 -0.00 0.00 0.00 177.39 178.68 2k60 h ALA 168 N 2.61 1.00 -2.81 1.47 0.00 -0.51 -3.41 119.26 117.60 2k60 h ALA 168 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2k60 h ALA 168 Cb 0.70 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.31 2k60 h ALA 168 CO 0.00 0.00 -0.46 0.54 0.00 0.00 0.00 179.25 179.33 2k60 s VAL 169 N -3.45 5.28 0.00 0.00 0.11 -1.23 -4.45 120.40 116.66 2k60 s VAL 169 Ca 0.03 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 2k60 s VAL 169 Cb 0.09 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 2k60 s VAL 169 CO 0.47 0.15 0.00 0.35 -3.33 0.00 0.00 175.10 172.74 2k60 n THR 170 N 5.09 0.00 -0.06 5.04 -2.24 -1.26 -4.37 114.28 116.48 2k60 n THR 170 Ca -0.13 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.59 2k60 n THR 170 Cb 0.51 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 2k60 n THR 170 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k60 n ASN 171 N -3.30 1.97 -0.36 3.42 6.94 -1.26 -4.64 115.26 118.03 2k60 n ASN 171 Ca 0.00 -0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.58 2k60 n ASN 171 Cb 0.00 0.80 0.17 0.00 -2.36 0.00 0.00 39.78 38.39 2k60 n ASN 171 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 2k60 h THR 172 N 0.00 1.12 -0.25 5.53 1.35 -1.95 0.11 112.91 118.82 2k60 h THR 172 Ca -0.33 -0.41 0.03 0.00 -0.55 0.00 0.00 66.41 65.15 2k60 h THR 172 Cb 1.76 -0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.97 2k60 h THR 172 CO 0.02 0.22 0.07 0.74 -0.25 0.00 0.00 175.52 176.31 2k60 h THR 173 N 1.19 0.91 0.00 6.82 2.02 -1.83 -3.27 112.91 118.76 2k60 h THR 173 Ca 0.41 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.52 2k60 h THR 173 Cb 0.10 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2k60 h THR 173 CO -0.15 0.03 -0.11 -0.03 0.37 0.00 0.00 175.52 175.64 2k60 h MET 174 N 0.17 0.00 -0.99 6.66 1.85 -1.63 -3.39 114.93 117.59 2k60 h MET 174 Ca 0.11 0.00 0.21 0.00 -0.61 0.00 0.00 59.70 59.41 2k60 h MET 174 Cb 0.09 0.00 -0.10 0.00 0.43 0.00 0.00 31.60 32.03 2k60 h MET 174 CO -0.13 0.70 0.62 0.00 -0.40 0.00 0.00 176.91 177.70 2k60 h THR 175 N -1.00 0.66 0.00 -0.77 1.03 -0.90 -3.46 112.91 108.48 2k60 h THR 175 Ca -0.03 -0.22 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 2k60 h THR 175 Cb 0.74 -0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.79 2k60 h THR 175 CO -0.02 0.12 0.00 0.61 -0.01 0.00 0.00 175.52 176.22 2k60 n GLY 176 N -1.38 1.17 0.00 2.99 0.00 -1.23 -2.98 105.19 103.76 2k60 n GLY 176 Ca 0.23 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 0.00 -3.17 2.61 -1.04 -1.26 -4.94 114.28 106.47 2k60 n THR 177 Ca 0.00 0.60 0.04 0.00 -2.04 0.00 0.00 64.05 62.65 2k60 n THR 177 Cb 0.00 -1.33 -0.01 0.00 -1.82 0.00 0.00 70.33 67.16 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 -1.09 -0.91 -0.19 12.58 0.11 -1.16 -5.04 120.40 124.70 2k60 s VAL 178 Ca 0.00 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 2k60 s VAL 178 Cb 0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 2k60 s VAL 178 CO 0.00 0.00 -0.22 -0.11 -3.33 0.00 0.00 175.10 171.44 2k60 n LEU 179 N 5.43 1.69 -3.73 2.54 7.94 -1.24 -5.00 117.00 124.64 2k60 n LEU 179 Ca -0.02 0.16 -0.14 0.00 -1.11 0.00 0.00 56.01 54.89 2k60 n LEU 179 Cb 0.51 -0.57 -0.15 0.00 0.53 0.00 0.00 43.42 43.75 2k60 n LEU 179 CO 0.01 0.48 -0.22 -0.75 -1.11 0.00 0.00 177.39 175.80 2k60 s LYS 180 N -2.35 0.09 0.14 1.96 2.47 -1.26 -4.86 119.74 115.94 2k60 s LYS 180 Ca -0.26 0.44 -0.18 0.00 -1.56 0.00 0.00 55.97 54.41 2k60 s LYS 180 Cb 0.09 -0.19 -0.02 0.00 -1.46 0.00 0.00 37.83 36.26 2k60 s LYS 180 CO 0.35 -0.20 1.78 0.52 0.16 0.00 0.00 175.35 177.96 2k60 h MET 181 N 7.50 0.35 -6.35 4.03 2.86 -2.01 -3.39 114.93 117.92 2k60 h MET 181 Ca -0.36 -0.02 -0.55 0.00 -2.06 0.00 0.00 59.70 56.71 2k60 h MET 181 Cb 1.14 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.67 2k60 h MET 181 CO 0.35 0.23 1.17 0.95 1.06 0.00 0.00 176.91 180.68 2k60 s THR 182 N -6.17 3.68 0.20 2.22 -4.23 -1.26 -4.87 115.64 105.21 2k60 s THR 182 Ca -0.13 0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 60.91 2k60 s THR 182 Cb 0.10 -4.09 0.13 0.00 1.34 0.00 0.00 72.50 69.98 2k60 s THR 182 CO 0.71 -0.82 1.78 0.44 -0.54 0.00 0.00 174.62 176.19 2k60 h ASP 183 N 11.99 0.42 -0.02 3.99 3.32 -2.00 0.42 116.42 134.53 2k60 h ASP 183 Ca -0.29 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 2k60 h ASP 183 Cb 1.13 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 2k60 h ASP 183 CO 1.12 0.26 0.00 -0.09 -1.72 0.00 0.00 179.24 178.81 2k60 h ARG 184 N 0.56 0.03 -0.58 3.56 2.43 -1.95 -1.49 114.38 116.94 2k60 h ARG 184 Ca 0.29 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2k60 h ARG 184 Cb 0.25 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2k60 h ARG 184 CO -0.22 0.33 0.35 1.03 -1.51 0.00 0.00 179.97 179.94 2k60 h SER 185 N -0.27 0.56 0.65 -3.80 0.87 -1.87 0.20 113.55 109.89 2k60 h SER 185 Ca 0.00 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2k60 h SER 185 Cb 0.31 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2k60 h SER 185 CO 0.00 0.39 -0.31 -0.74 -0.53 0.00 0.00 176.83 175.64 2k60 h HIS 186 N 0.68 -0.81 -0.64 2.24 -0.00 -0.84 -0.02 115.15 115.75 2k60 h HIS 186 Ca 0.24 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.55 2k60 h HIS 186 Cb 0.04 0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.69 2k60 h HIS 186 CO -0.06 -0.49 0.27 0.07 -0.00 0.00 0.00 177.93 177.71 2k60 h ARG 187 N -0.90 0.93 -0.21 5.26 0.11 -0.95 -1.45 114.38 117.18 2k60 h ARG 187 Ca -0.09 -0.14 -0.05 0.00 0.10 0.00 0.00 59.98 59.80 2k60 h ARG 187 Cb 0.68 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.59 2k60 h ARG 187 CO 0.15 0.75 -0.07 1.96 0.10 0.00 0.00 179.97 182.86 2k60 h GLN 188 N 0.92 0.41 -0.08 0.08 1.08 -0.36 0.86 115.11 118.02 2k60 h GLN 188 Ca 0.22 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2k60 h GLN 188 Cb 0.16 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2k60 h GLN 188 CO -0.02 0.68 -0.05 0.87 -0.95 0.00 0.00 178.83 179.36 2k60 h LYS 189 N 0.13 0.18 -0.22 1.46 1.79 -0.87 -0.92 116.57 118.12 2k60 h LYS 189 Ca 0.05 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2k60 h LYS 189 Cb 0.54 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2k60 h LYS 189 CO 0.02 0.55 0.08 -0.07 -1.08 0.00 0.00 179.45 178.95 2k60 h LEU 190 N -0.20 0.31 -0.75 2.94 -0.00 -1.29 -1.78 115.31 114.54 2k60 h LEU 190 Ca 0.02 -0.19 -0.12 0.00 -0.00 0.00 0.00 57.88 57.59 2k60 h LEU 190 Cb 0.50 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 2k60 h LEU 190 CO 0.01 0.41 -0.32 0.06 -0.00 0.00 0.00 178.44 178.61 2k60 h GLN 191 N 0.19 0.59 -0.03 1.13 3.07 -0.85 0.29 115.11 119.50 2k60 h GLN 191 Ca 0.07 -0.26 0.02 0.00 0.09 0.00 0.00 58.65 58.57 2k60 h GLN 191 Cb 0.21 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.73 2k60 h GLN 191 CO -0.00 0.83 -0.11 1.25 0.09 0.00 0.00 178.83 180.88 2k60 h LEU 192 N 0.50 -0.34 0.06 0.06 7.12 -0.92 0.31 115.31 122.10 2k60 h LEU 192 Ca 0.06 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 2k60 h LEU 192 Cb 0.80 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.08 2k60 h LEU 192 CO 0.07 -0.16 -0.03 0.11 -0.13 0.00 0.00 178.44 178.30 2k60 h LYS 193 N -0.18 -0.07 -0.51 1.25 6.56 -1.10 -1.63 116.57 120.88 2k60 h LYS 193 Ca 0.05 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.58 2k60 h LYS 193 Cb 0.25 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.91 2k60 h LYS 193 CO -0.13 0.46 0.05 0.00 -2.06 0.00 0.00 179.45 177.77 2k60 h ALA 194 N 0.20 0.68 -0.15 3.86 0.00 -0.36 0.33 119.26 123.82 2k60 h ALA 194 Ca -0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2k60 h ALA 194 Cb 0.57 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k60 h ALA 194 CO 0.01 0.45 -0.15 1.25 0.00 0.00 0.00 179.25 180.81 2k60 h LEU 195 N 0.74 0.40 -1.62 0.00 5.85 -0.46 0.30 115.31 120.52 2k60 h LEU 195 Ca 0.15 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2k60 h LEU 195 Cb 0.45 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2k60 h LEU 195 CO 0.02 0.80 0.25 -0.78 -0.34 0.00 0.00 178.44 178.39 2k60 h ASP 196 N 0.01 0.44 -0.02 1.25 3.58 -1.17 -0.54 116.42 119.97 2k60 h ASP 196 Ca 0.02 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.41 2k60 h ASP 196 Cb 0.69 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2k60 h ASP 196 CO 0.04 0.32 -0.18 0.74 -2.88 0.00 0.00 179.24 177.27 2k60 h THR 197 N 0.52 1.52 0.00 2.25 2.02 -0.56 0.23 112.91 118.89 2k60 h THR 197 Ca 0.14 -1.79 -0.04 0.00 0.77 0.00 0.00 66.41 65.49 2k60 h THR 197 Cb -0.06 2.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2k60 h THR 197 CO -0.03 0.49 -0.20 -0.37 0.37 0.00 0.00 175.52 175.78 2k60 h VAL 198 N -0.48 0.60 0.07 3.16 -1.51 -0.17 -1.46 116.25 116.46 2k60 h VAL 198 Ca -0.02 -0.92 -0.34 0.00 -1.23 0.00 0.00 66.70 64.19 2k60 h VAL 198 Cb 0.89 1.61 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 2k60 h VAL 198 CO 0.04 0.20 -1.89 0.18 -1.23 0.00 0.00 177.57 174.86 2k60 n LEU 199 N -3.51 1.92 0.02 4.19 4.77 -0.23 -4.61 117.00 119.55 2k60 n LEU 199 Ca -0.01 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2k60 n LEU 199 Cb 0.36 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2k60 n LEU 199 CO 0.32 0.67 0.00 0.33 -1.33 0.00 0.00 177.39 177.38 2k60 n PHE 200 N -3.30 -0.22 -0.45 -1.77 -0.00 0.69 -4.81 117.46 107.59 2k60 n PHE 200 Ca -0.26 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.23 2k60 n PHE 200 Cb 1.05 0.15 0.00 0.00 -0.00 0.00 0.00 39.48 40.68 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17