#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 -1.73 -0.01 1.61 7.64 -1.26 -5.04 113.62 114.83 2k60 n SER -4 Ca 0.00 -2.66 -0.19 0.00 1.01 0.00 0.00 58.87 57.03 2k60 n SER -4 Cb 0.00 3.01 -0.14 0.00 -1.01 0.00 0.00 64.21 66.07 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 1.95 0.31 -1.79 1.43 -0.00 -2.00 -3.43 115.15 111.62 2k60 h HIS -3 Ca -0.29 -0.23 -0.48 0.00 -0.00 0.00 0.00 60.37 59.37 2k60 h HIS -3 Cb 1.15 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 28.49 2k60 h HIS -3 CO 0.00 1.29 1.19 0.00 -0.00 0.00 0.00 177.93 180.41 2k60 s MET -2 N -2.37 2.84 0.00 5.26 0.00 -1.26 -3.07 119.30 120.71 2k60 s MET -2 Ca -0.18 0.09 0.00 0.00 0.00 0.00 0.00 55.69 55.60 2k60 s MET -2 Cb 0.01 -4.54 0.00 0.00 0.00 0.00 0.00 34.83 30.30 2k60 s MET -2 CO 0.75 -2.65 0.00 0.00 0.00 0.00 0.00 175.02 173.13 2k60 n ALA -1 N 11.75 0.00 -0.21 3.16 0.00 -1.26 -4.91 120.51 129.04 2k60 n ALA -1 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2k60 n ALA -1 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 -1.30 -0.84 0.00 2.88 -1.17 -4.88 113.62 108.31 2k60 n SER 0 Ca 0.00 0.23 -0.11 0.00 -1.33 0.00 0.00 58.87 57.67 2k60 n SER 0 Cb 0.00 0.20 -0.04 0.00 -0.75 0.00 0.00 64.21 63.61 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 -1.52 -4.26 -4.35 -3.46 7.64 -1.26 -4.93 113.62 101.48 2k60 n SER 58 Ca 0.00 0.25 -0.43 0.00 1.01 0.00 0.00 58.87 59.70 2k60 n SER 58 Cb 0.05 -2.73 0.00 0.00 -1.01 0.00 0.00 64.21 60.52 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 -2.66 3.33 0.00 1.43 -0.58 -1.26 -4.72 120.64 116.17 2k60 n GLU 59 Ca -0.11 -3.56 0.00 0.00 -0.42 0.00 0.00 57.16 53.07 2k60 n GLU 59 Cb 0.36 -3.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.07 2k60 n GLU 59 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2k60 n ASP 60 N 6.14 0.00 -2.02 1.62 8.00 -1.26 -4.83 116.55 124.19 2k60 n ASP 60 Ca 0.42 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2k60 n ASP 60 Cb 0.42 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 2k60 n ASP 60 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2k60 n GLU 61 N -2.33 1.92 -3.69 -1.24 0.00 -1.26 -5.02 120.64 109.01 2k60 n GLU 61 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 2k60 n GLU 61 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 2k60 n GLU 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k60 n LYS 62 N 0.00 2.16 -2.62 3.44 4.01 -1.26 -4.68 118.16 119.21 2k60 n LYS 62 Ca 0.00 -4.58 -0.22 0.00 -0.51 0.00 0.00 58.31 53.00 2k60 n LYS 62 Cb 0.00 -2.28 0.06 0.00 -0.51 0.00 0.00 35.03 32.30 2k60 n LYS 62 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2k60 s LEU 63 N -1.93 3.16 -0.01 -0.35 2.96 -1.26 -5.04 118.68 116.21 2k60 s LEU 63 Ca 0.32 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 2k60 s LEU 63 Cb 0.04 -2.57 -0.27 0.00 0.50 0.00 0.00 46.19 43.89 2k60 s LEU 63 CO -0.10 -1.38 0.80 0.77 -1.32 0.00 0.00 176.35 175.11 2k60 h SER 64 N -0.13 0.36 -0.83 3.68 4.64 -2.00 -3.32 113.55 115.95 2k60 h SER 64 Ca -0.40 -0.54 -0.01 0.00 -0.47 0.00 0.00 61.79 60.36 2k60 h SER 64 Cb 1.29 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 2k60 h SER 64 CO 0.48 1.46 0.46 0.15 -0.87 0.00 0.00 176.83 178.51 2k60 h PHE 65 N 0.06 1.14 -0.39 4.77 3.57 -2.00 -1.26 116.94 122.83 2k60 h PHE 65 Ca -0.26 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 2k60 h PHE 65 Cb 2.02 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.37 2k60 h PHE 65 CO 0.06 0.78 -0.05 1.05 -2.23 0.00 0.00 178.31 177.93 2k60 h GLU 66 N 1.17 0.64 -0.08 1.11 4.11 -1.96 -0.33 114.58 119.24 2k60 h GLU 66 Ca 0.30 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 59.55 2k60 h GLU 66 Cb 0.02 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2k60 h GLU 66 CO -0.05 0.70 0.03 0.00 0.07 0.00 0.00 179.01 179.76 2k60 h ALA 67 N 1.35 0.10 0.22 1.06 0.00 -1.40 0.12 119.26 120.72 2k60 h ALA 67 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k60 h ALA 67 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k60 h ALA 67 CO 0.02 -0.31 -0.20 0.28 0.00 0.00 0.00 179.25 179.05 2k60 h VAL 68 N -0.04 0.57 0.00 0.00 2.07 -0.86 -1.06 116.25 116.93 2k60 h VAL 68 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2k60 h VAL 68 Cb 0.18 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2k60 h VAL 68 CO -0.00 0.00 -0.09 0.08 0.02 0.00 0.00 177.57 177.58 2k60 h ARG 69 N -0.44 0.00 -0.05 1.57 0.11 -1.02 -1.71 114.38 112.83 2k60 h ARG 69 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2k60 h ARG 69 Cb 0.40 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.48 2k60 h ARG 69 CO -0.04 0.09 -0.00 -0.97 0.10 0.00 0.00 179.97 179.15 2k60 h ASN 70 N 0.00 0.10 0.43 0.08 -1.24 0.46 0.45 115.58 115.85 2k60 h ASN 70 Ca -0.00 -0.32 -0.08 0.00 0.71 0.00 0.00 56.30 56.61 2k60 h ASN 70 Cb 0.19 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 2k60 h ASN 70 CO 0.01 0.39 -0.40 0.40 -1.29 0.00 0.00 177.43 176.54 2k60 h ILE 71 N -0.20 1.24 -0.21 2.57 5.03 -0.76 0.11 117.51 125.29 2k60 h ILE 71 Ca 0.02 -1.38 -0.17 0.00 -0.12 0.00 0.00 64.86 63.21 2k60 h ILE 71 Cb 0.34 1.75 -0.00 0.00 -3.03 0.00 0.00 36.82 35.88 2k60 h ILE 71 CO 0.00 0.39 -0.55 0.45 -0.68 0.00 0.00 178.15 177.76 2k60 h HIS 72 N 0.00 0.81 0.00 1.37 3.86 -1.09 -3.04 115.15 117.06 2k60 h HIS 72 Ca -0.00 -0.29 -0.03 0.00 -1.16 0.00 0.00 60.37 58.89 2k60 h HIS 72 Cb 0.72 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 2k60 h HIS 72 CO 0.00 1.05 -0.13 1.57 0.86 0.00 0.00 177.93 181.27 2k60 h LYS 73 N 0.49 0.00 -0.95 2.45 5.09 0.65 -3.08 116.57 121.23 2k60 h LYS 73 Ca 0.01 0.00 0.25 0.00 0.09 0.00 0.00 60.65 61.00 2k60 h LYS 73 Cb 1.11 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.38 2k60 h LYS 73 CO 0.11 0.13 0.65 1.25 -2.09 0.00 0.00 179.45 179.50 2k60 h LEU 74 N 0.00 0.21 0.00 7.07 5.85 -0.68 0.11 115.31 127.87 2k60 h LEU 74 Ca -0.00 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2k60 h LEU 74 Cb 0.65 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2k60 h LEU 74 CO 0.02 0.07 -0.54 0.24 -0.34 0.00 0.00 178.44 177.89 2k60 h MET 75 N 0.20 0.00 -6.52 1.25 2.86 -1.70 -3.46 114.93 107.56 2k60 h MET 75 Ca 0.48 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.59 2k60 h MET 75 Cb 1.55 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.18 2k60 h MET 75 CO -0.11 0.46 0.13 0.34 1.06 0.00 0.00 176.91 178.79 2k60 s ASP 76 N -6.40 7.20 0.10 1.22 -1.08 0.38 -2.85 116.67 115.25 2k60 s ASP 76 Ca 0.04 1.51 -0.06 0.00 -0.52 0.00 0.00 52.55 53.52 2k60 s ASP 76 Cb 0.07 -2.45 -0.20 0.00 -1.46 0.00 0.00 42.92 38.88 2k60 s ASP 76 CO 0.75 0.13 1.21 -0.78 0.52 0.00 0.00 175.17 176.99 2k60 h ASP 77 N 3.91 0.52 -0.00 -0.34 3.58 -1.80 -3.35 116.42 118.94 2k60 h ASP 77 Ca -0.48 -0.49 0.00 0.00 0.42 0.00 0.00 57.03 56.49 2k60 h ASP 77 Cb 1.20 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2k60 h ASP 77 CO 0.65 1.33 -0.62 -0.90 -2.88 0.00 0.00 179.24 176.82 2k60 n ASP 78 N -3.66 0.65 -3.73 2.28 5.75 -1.26 -5.01 116.55 111.57 2k60 n ASP 78 Ca -0.08 -0.83 -0.26 0.00 -0.01 0.00 0.00 54.79 53.61 2k60 n ASP 78 Cb 0.94 0.99 0.05 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 -1.28 -1.38 1.60 2.12 0.00 -1.26 -4.79 120.51 115.51 2k60 n ALA 79 Ca 0.03 0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.86 2k60 n ALA 79 Cb 0.21 -4.69 0.78 0.00 0.00 0.00 0.00 19.45 15.76 2k60 n ALA 79 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2k60 n ASN 80 N -2.95 0.00 0.00 0.00 6.94 -1.26 -4.34 115.26 113.65 2k60 n ASN 80 Ca -0.01 -0.63 0.00 0.00 -0.02 0.00 0.00 54.58 53.92 2k60 n ASN 80 Cb 0.56 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 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 0.83 1.04 2.74 4.83 0.00 -1.26 -5.01 105.19 108.36 2k60 n GLY 81 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.79 1.99 -0.06 1.61 -4.77 -1.26 -1.33 116.67 111.06 2k60 s ASP 82 Ca 0.00 -0.33 -0.24 0.00 -3.30 0.00 0.00 52.55 48.68 2k60 s ASP 82 Cb 0.00 -0.45 -0.04 0.00 -1.09 0.00 0.00 42.92 41.35 2k60 s ASP 82 CO 0.00 -0.24 0.74 0.68 0.70 0.00 0.00 175.17 177.05 2k60 s VAL 83 N 1.97 5.02 0.47 2.11 -7.23 0.72 -4.83 120.40 118.62 2k60 s VAL 83 Ca 0.03 1.54 -0.02 0.00 -1.81 0.00 0.00 61.98 61.72 2k60 s VAL 83 Cb -0.14 -4.08 -0.01 0.00 0.56 0.00 0.00 36.38 32.71 2k60 s VAL 83 CO -0.06 0.24 0.72 -0.62 -0.31 0.00 0.00 175.10 175.06 2k60 s ASP 84 N 0.82 5.91 0.37 4.85 2.15 -1.26 -1.78 116.67 127.74 2k60 s ASP 84 Ca 0.40 0.49 0.06 0.00 0.43 0.00 0.00 52.55 53.93 2k60 s ASP 84 Cb -0.18 -1.74 0.75 0.00 -0.30 0.00 0.00 42.92 41.45 2k60 s ASP 84 CO 0.20 -0.70 1.98 -0.37 -0.17 0.00 0.00 175.17 176.10 2k60 h VAL 85 N 0.30 1.04 0.00 1.11 -1.51 -1.91 -0.17 116.25 115.12 2k60 h VAL 85 Ca -0.47 -0.25 -0.03 0.00 -1.23 0.00 0.00 66.70 64.73 2k60 h VAL 85 Cb 1.24 0.24 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2k60 h VAL 85 CO 0.59 0.13 -0.15 -0.33 -1.23 0.00 0.00 177.57 176.58 2k60 h GLU 86 N 0.73 0.00 0.01 5.19 5.08 -1.96 -2.51 114.58 121.13 2k60 h GLU 86 Ca 0.29 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2k60 h GLU 86 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k60 h GLU 86 CO -0.09 0.12 -0.25 0.93 -1.00 0.00 0.00 179.01 178.72 2k60 h GLU 87 N 0.00 0.15 -0.01 2.33 5.08 -1.44 -3.29 114.58 117.40 2k60 h GLU 87 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2k60 h GLU 87 Cb 1.10 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2k60 h GLU 87 CO 0.02 0.95 0.00 -1.13 -1.00 0.00 0.00 179.01 177.85 2k60 n SER 88 N -4.50 0.26 -0.21 1.42 3.41 -0.24 -3.28 113.62 110.49 2k60 n SER 88 Ca -0.10 -1.26 -0.05 0.00 -0.26 0.00 0.00 58.87 57.19 2k60 n SER 88 Cb 0.52 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.71 -0.52 0.09 4.04 2.03 -0.94 -0.66 116.55 119.87 2k60 n ASP 89 Ca 0.19 1.32 -0.21 0.00 0.52 0.00 0.00 54.79 56.61 2k60 n ASP 89 Cb 0.13 -0.33 -0.15 0.00 -0.72 0.00 0.00 41.12 40.05 2k60 n ASP 89 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2k60 h GLU 90 N 0.00 0.37 -0.02 -0.67 4.11 -1.89 -3.40 114.58 113.09 2k60 h GLU 90 Ca 0.08 -0.64 0.01 0.00 0.07 0.00 0.00 59.36 58.88 2k60 h GLU 90 Cb 0.20 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2k60 h GLU 90 CO -0.46 1.27 -0.11 0.74 0.07 0.00 0.00 179.01 180.52 2k60 h PHE 91 N 0.10 -0.33 -0.21 2.06 0.04 -1.52 -1.74 116.94 115.34 2k60 h PHE 91 Ca -0.29 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.54 2k60 h PHE 91 Cb 2.08 0.15 -0.05 0.00 2.20 0.00 0.00 35.95 40.33 2k60 h PHE 91 CO 0.09 -0.11 -0.10 1.25 -0.60 0.00 0.00 178.31 178.84 2k60 h LEU 92 N -0.13 -0.34 0.04 1.54 5.85 -1.12 0.17 115.31 121.33 2k60 h LEU 92 Ca 0.01 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2k60 h LEU 92 Cb 0.14 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2k60 h LEU 92 CO -0.09 -0.13 -0.25 0.03 -0.34 0.00 0.00 178.44 177.66 2k60 h ARG 93 N -0.08 -0.33 0.00 1.25 3.08 -1.67 -0.32 114.38 116.31 2k60 h ARG 93 Ca 0.11 0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.02 2k60 h ARG 93 Cb 0.25 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2k60 h ARG 93 CO -0.26 -0.22 -0.88 0.93 -1.07 0.00 0.00 179.97 178.47 2k60 h GLU 94 N -0.35 0.00 0.00 0.04 5.08 -1.27 0.31 114.58 118.39 2k60 h GLU 94 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k60 h GLU 94 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2k60 h GLU 94 CO -0.14 0.98 -0.00 0.22 -1.00 0.00 0.00 179.01 179.07 2k60 h ASP 95 N -1.00 0.00 0.00 1.42 3.58 -0.73 -1.08 116.42 118.61 2k60 h ASP 95 Ca -0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2k60 h ASP 95 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2k60 h ASP 95 CO -0.15 0.00 -0.20 0.00 -2.88 0.00 0.00 179.24 176.02 2k60 n LEU 96 N -3.54 0.00 -0.43 2.28 -0.00 -0.74 -4.63 117.00 109.94 2k60 n LEU 96 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.10 2k60 n LEU 96 Cb 0.08 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 43.66 2k60 n LEU 96 CO 0.25 0.00 0.47 0.59 -0.00 0.00 0.00 177.39 178.70 2k60 n ASN 97 N -0.43 1.69 0.00 1.45 5.03 -0.06 -4.78 115.26 118.16 2k60 n ASN 97 Ca 0.00 -1.31 0.00 0.00 0.87 0.00 0.00 54.58 54.14 2k60 n ASN 97 Cb 0.03 0.31 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 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 -0.18 0.00 0.00 3.10 4.02 0.89 -4.16 117.16 120.84 2k60 n TYR 98 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2k60 n TYR 98 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 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 -3.84 -0.72 8.25 -1.24 -4.22 115.22 113.46 2k60 n HIS 99 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2k60 n HIS 99 Cb 0.00 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 2k60 n HIS 99 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2k60 s ASP 100 N -1.19 0.07 0.00 0.41 1.01 -1.26 -4.20 116.67 111.51 2k60 s ASP 100 Ca 0.00 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 52.63 2k60 s ASP 100 Cb 0.00 0.36 0.00 0.00 1.01 0.00 0.00 42.92 44.29 2k60 s ASP 100 CO 0.00 -0.75 0.00 -0.81 0.21 0.00 0.00 175.17 173.82 2k60 n PRO 101 N -0.09 0.00 0.00 8.23 -0.05 -1.26 -4.83 135.00 137.00 2k60 n PRO 101 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.30 2k60 n PRO 101 Cb 0.63 -0.02 0.00 0.00 -0.05 0.00 0.00 33.50 34.06 2k60 n PRO 101 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 2k60 n THR 102 N -0.03 0.00 0.03 0.52 -1.04 -1.26 -3.91 114.28 108.59 2k60 n THR 102 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2k60 n THR 102 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 0.28 -0.80 12.58 2.07 -1.98 0.13 116.25 128.52 2k60 h VAL 103 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2k60 h VAL 103 Cb 0.00 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 2k60 h VAL 103 CO 0.00 0.00 0.52 0.11 0.02 0.00 0.00 177.57 178.22 2k60 h LYS 104 N -0.44 0.83 0.04 1.57 1.79 -1.93 0.54 116.57 118.96 2k60 h LYS 104 Ca 0.08 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2k60 h LYS 104 Cb 0.56 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2k60 h LYS 104 CO -0.32 0.55 -0.02 0.45 -1.08 0.00 0.00 179.45 179.03 2k60 h HIS 105 N 0.86 -0.05 0.00 -1.35 3.86 -1.46 -1.61 115.15 115.40 2k60 h HIS 105 Ca 0.35 -0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.39 2k60 h HIS 105 Cb 0.26 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2k60 h HIS 105 CO -0.00 0.45 -0.78 0.66 0.86 0.00 0.00 177.93 179.12 2k60 h SER 106 N -0.58 0.00 -0.10 2.45 4.64 -0.56 -0.18 113.55 119.23 2k60 h SER 106 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2k60 h SER 106 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2k60 h SER 106 CO 0.01 0.78 -0.04 0.74 -0.87 0.00 0.00 176.83 177.45 2k60 h THR 107 N 0.00 1.31 0.27 2.95 2.02 0.00 -1.31 112.91 118.15 2k60 h THR 107 Ca -0.01 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 2k60 h THR 107 Cb 1.51 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2k60 h THR 107 CO 0.10 0.29 -0.13 0.15 0.37 0.00 0.00 175.52 176.31 2k60 h PHE 108 N -0.14 -0.33 -0.04 3.16 3.57 -1.30 -3.39 116.94 118.46 2k60 h PHE 108 Ca 0.02 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2k60 h PHE 108 Cb 0.48 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2k60 h PHE 108 CO 0.06 -0.18 -0.28 1.25 -2.23 0.00 0.00 178.31 176.93 2k60 h HIS 109 N -1.09 0.36 0.00 0.41 2.76 -1.16 -3.48 115.15 112.95 2k60 h HIS 109 Ca -0.04 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 2k60 h HIS 109 Cb 0.30 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.21 2k60 h HIS 109 CO 0.01 0.91 0.00 0.41 -1.30 0.00 0.00 177.93 177.96 2k60 n GLY 110 N 0.80 2.67 0.37 5.26 0.00 -0.49 -4.73 105.19 109.08 2k60 n GLY 110 Ca -0.09 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.21 2k60 n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k60 n GLU 111 N 0.00 1.43 -2.63 1.61 2.13 -1.26 -4.55 120.64 117.37 2k60 n GLU 111 Ca 0.00 -0.55 -0.07 0.00 0.66 0.00 0.00 57.16 57.20 2k60 n GLU 111 Cb 0.00 -1.22 0.03 0.00 0.27 0.00 0.00 31.44 30.52 2k60 n GLU 111 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2k60 n ASP 112 N -0.03 -5.33 0.00 4.31 -0.08 -1.24 -4.94 116.55 109.25 2k60 n ASP 112 Ca 0.05 -0.34 0.00 0.00 -1.51 0.00 0.00 54.79 52.99 2k60 n ASP 112 Cb 0.19 -3.71 0.00 0.00 2.34 0.00 0.00 41.12 39.94 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 -2.31 0.00 -2.82 -0.67 5.02 -1.24 -4.83 118.16 111.31 2k60 n LYS 113 Ca -0.03 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 2k60 n LYS 113 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.51 2k60 n LYS 113 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k60 s LEU 114 N 0.00 4.62 -0.27 -0.35 1.43 -1.25 -4.27 118.68 118.59 2k60 s LEU 114 Ca 0.00 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 54.97 2k60 s LEU 114 Cb 0.00 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.74 2k60 s LEU 114 CO 0.00 0.16 -0.08 -0.63 0.23 0.00 0.00 176.35 176.03 2k60 s ILE 115 N -1.20 2.38 0.01 -0.59 -1.09 -0.73 -4.05 121.20 115.93 2k60 s ILE 115 Ca 0.40 -1.57 0.07 0.00 -2.23 0.00 0.00 60.65 57.31 2k60 s ILE 115 Cb -0.25 -2.39 -0.02 0.00 -1.58 0.00 0.00 42.46 38.22 2k60 s ILE 115 CO 0.30 -0.05 -0.21 -0.94 -1.23 0.00 0.00 174.94 172.81 2k60 s SER 116 N 1.14 2.49 0.13 3.58 1.04 -1.26 -0.20 113.70 120.63 2k60 s SER 116 Ca -0.08 -0.44 -0.24 0.00 0.48 0.00 0.00 55.95 55.67 2k60 s SER 116 Cb -0.20 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.65 2k60 s SER 116 CO -0.04 0.23 1.63 0.58 0.98 0.00 0.00 173.24 176.62 2k60 h VAL 117 N 4.51 0.40 -0.33 5.02 2.07 -1.59 0.40 116.25 126.75 2k60 h VAL 117 Ca -0.41 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2k60 h VAL 117 Cb 1.15 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2k60 h VAL 117 CO 0.46 0.00 0.17 1.05 0.02 0.00 0.00 177.57 179.27 2k60 h GLU 118 N -0.33 0.34 -0.31 1.57 4.11 -1.97 0.27 114.58 118.26 2k60 h GLU 118 Ca 0.09 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.42 2k60 h GLU 118 Cb 0.47 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2k60 h GLU 118 CO -0.30 0.23 -0.17 -0.44 0.07 0.00 0.00 179.01 178.39 2k60 h ASP 119 N 0.35 0.55 -0.39 3.06 3.32 -1.88 -1.39 116.42 120.03 2k60 h ASP 119 Ca 0.13 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 2k60 h ASP 119 Cb 0.04 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2k60 h ASP 119 CO -0.08 0.74 0.02 -0.07 -1.72 0.00 0.00 179.24 178.12 2k60 h LEU 120 N 0.50 0.67 -0.71 1.55 3.38 -0.31 0.57 115.31 120.95 2k60 h LEU 120 Ca 0.08 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2k60 h LEU 120 Cb 0.59 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2k60 h LEU 120 CO 0.04 0.80 0.46 -0.25 0.09 0.00 0.00 178.44 179.58 2k60 h TRP 121 N 0.52 0.87 -0.46 1.13 7.01 0.20 0.55 115.95 125.77 2k60 h TRP 121 Ca 0.11 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 61.01 2k60 h TRP 121 Cb 0.45 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 2k60 h TRP 121 CO 0.03 0.53 -0.22 0.87 -2.79 0.00 0.00 178.44 176.86 2k60 h LYS 122 N 0.93 0.94 -0.34 2.65 6.56 -1.16 -1.48 116.57 124.67 2k60 h LYS 122 Ca 0.27 -0.40 -0.03 0.00 -1.06 0.00 0.00 60.65 59.43 2k60 h LYS 122 Cb -0.06 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.55 2k60 h LYS 122 CO -0.08 1.06 0.08 0.00 -2.06 0.00 0.00 179.45 178.45 2k60 h ALA 123 N 0.93 0.45 -0.31 3.86 0.00 -0.17 -2.94 119.26 121.08 2k60 h ALA 123 Ca 0.11 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2k60 h ALA 123 Cb 0.78 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2k60 h ALA 123 CO 0.07 0.12 -0.08 2.35 0.00 0.00 0.00 179.25 181.70 2k60 h TRP 124 N 0.40 -0.18 -0.02 0.00 7.01 0.20 0.99 115.95 124.35 2k60 h TRP 124 Ca 0.11 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.14 2k60 h TRP 124 Cb 0.31 0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.49 2k60 h TRP 124 CO 0.02 -0.14 0.14 0.87 -2.79 0.00 0.00 178.44 176.54 2k60 h LYS 125 N -0.01 0.00 -0.16 2.65 1.57 -1.10 0.92 116.57 120.44 2k60 h LYS 125 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2k60 h LYS 125 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2k60 h LYS 125 CO -0.32 0.00 0.00 0.45 -0.57 0.00 0.00 179.45 179.01 2k60 n SER 126 N -3.10 2.46 -4.81 0.86 2.88 -0.15 -4.89 113.62 106.88 2k60 n SER 126 Ca -0.02 -2.04 -0.23 0.00 -1.33 0.00 0.00 58.87 55.25 2k60 n SER 126 Cb 0.21 -0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 63.50 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 -1.05 5.47 0.61 -3.46 0.01 0.32 -4.99 113.70 110.60 2k60 s SER 127 Ca 0.12 -0.24 0.34 0.00 1.31 0.00 0.00 55.95 57.48 2k60 s SER 127 Cb 0.07 -1.39 1.97 0.00 0.21 0.00 0.00 66.02 66.89 2k60 s SER 127 CO 0.07 -0.00 2.27 -0.33 0.41 0.00 0.00 173.24 175.66 2k60 h GLU 128 N 1.79 0.00 0.16 12.44 5.08 -1.90 -2.55 114.58 129.60 2k60 h GLU 128 Ca -0.48 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2k60 h GLU 128 Cb 1.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 2k60 h GLU 128 CO 0.61 0.00 -0.38 0.28 -1.00 0.00 0.00 179.01 178.52 2k60 h VAL 129 N 0.00 0.21 0.00 3.13 2.07 -1.90 0.64 116.25 120.40 2k60 h VAL 129 Ca 0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2k60 h VAL 129 Cb 0.04 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2k60 h VAL 129 CO -0.00 0.00 -0.16 0.22 0.02 0.00 0.00 177.57 177.65 2k60 h TYR 130 N -0.64 0.00 -0.07 1.57 3.20 -1.51 -2.04 116.97 117.47 2k60 h TYR 130 Ca 0.02 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 2k60 h TYR 130 Cb 0.65 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 2k60 h TYR 130 CO -0.32 0.16 -0.76 -0.91 -1.64 0.00 0.00 178.16 174.70 2k60 h ASN 131 N 0.00 0.52 -1.89 -2.11 2.35 -1.33 -3.42 115.58 109.69 2k60 h ASN 131 Ca -0.00 -0.35 -0.61 0.00 -0.55 0.00 0.00 56.30 54.79 2k60 h ASN 131 Cb 0.30 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.52 2k60 h ASN 131 CO 0.02 1.10 1.29 0.79 -1.65 0.00 0.00 177.43 178.98 2k60 n TRP 132 N -3.83 2.13 -1.27 1.19 8.01 0.15 -4.92 117.44 118.90 2k60 n TRP 132 Ca -0.05 -0.05 -0.09 0.00 -1.31 0.00 0.00 57.50 56.00 2k60 n TRP 132 Cb 0.72 -2.68 0.07 0.00 -2.01 0.00 0.00 31.31 27.41 2k60 n TRP 132 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.69 174.31 2k60 n THR 133 N 6.29 0.00 -0.15 -0.99 5.66 -1.26 -0.99 114.28 122.84 2k60 n THR 133 Ca 0.28 -0.31 -0.09 0.00 -3.05 0.00 0.00 64.05 60.88 2k60 n THR 133 Cb 0.34 -1.80 -0.00 0.00 -1.55 0.00 0.00 70.33 67.32 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 -1.28 1.22 -0.57 1.08 2.07 -1.94 -1.06 116.25 115.76 2k60 h VAL 134 Ca -0.14 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.71 2k60 h VAL 134 Cb 0.38 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2k60 h VAL 134 CO 0.10 0.26 0.28 0.44 0.02 0.00 0.00 177.57 178.67 2k60 h ASP 135 N 0.58 0.39 -0.27 0.57 3.32 -1.94 0.53 116.42 119.60 2k60 h ASP 135 Ca 0.14 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 2k60 h ASP 135 Cb 0.26 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2k60 h ASP 135 CO -0.00 0.26 0.02 -0.33 -1.72 0.00 0.00 179.24 177.47 2k60 h GLU 136 N 0.53 0.46 -0.24 3.56 4.39 -1.85 -1.52 114.58 119.91 2k60 h GLU 136 Ca 0.26 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 2k60 h GLU 136 Cb 0.19 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k60 h GLU 136 CO -0.19 0.60 -0.22 -0.24 -1.16 0.00 0.00 179.01 177.80 2k60 h VAL 137 N 0.26 1.25 0.18 3.13 3.04 -0.87 -0.72 116.25 122.52 2k60 h VAL 137 Ca 0.08 -1.18 -0.00 0.00 -1.01 0.00 0.00 66.70 64.58 2k60 h VAL 137 Cb 0.38 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.96 2k60 h VAL 137 CO 0.01 0.38 -0.12 0.58 -1.01 0.00 0.00 177.57 177.40 2k60 h VAL 138 N 0.40 0.74 -0.11 1.51 2.07 -0.59 0.52 116.25 120.79 2k60 h VAL 138 Ca 0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 2k60 h VAL 138 Cb 0.61 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2k60 h VAL 138 CO 0.04 0.00 -0.23 0.06 0.02 0.00 0.00 177.57 177.46 2k60 h GLN 139 N -0.30 0.19 -0.08 1.57 3.07 -1.05 -1.50 115.11 117.01 2k60 h GLN 139 Ca -0.01 -0.06 -0.10 0.00 0.09 0.00 0.00 58.65 58.57 2k60 h GLN 139 Cb 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.81 2k60 h GLN 139 CO 0.01 0.42 -0.35 2.35 0.09 0.00 0.00 178.83 181.35 2k60 h TRP 140 N 0.18 0.50 -0.86 0.06 2.91 -0.75 -0.97 115.95 117.01 2k60 h TRP 140 Ca 0.03 -0.22 -0.03 0.00 1.13 0.00 0.00 58.89 59.80 2k60 h TRP 140 Cb 0.52 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.05 2k60 h TRP 140 CO 0.01 0.96 0.42 1.37 -1.03 0.00 0.00 178.44 180.17 2k60 h LEU 141 N -0.10 1.12 -0.05 0.65 8.10 0.30 0.67 115.31 126.01 2k60 h LEU 141 Ca -0.02 -0.13 -0.05 0.00 0.11 0.00 0.00 57.88 57.78 2k60 h LEU 141 Cb 1.00 -0.29 0.00 0.00 -0.44 0.00 0.00 40.66 40.93 2k60 h LEU 141 CO 0.07 0.94 -0.17 0.16 -4.11 0.00 0.00 178.44 175.34 2k60 h ILE 142 N 1.23 1.44 0.00 0.15 3.07 -1.27 0.26 117.51 122.39 2k60 h ILE 142 Ca 0.30 -1.56 0.00 0.00 1.55 0.00 0.00 64.86 65.15 2k60 h ILE 142 Cb 0.11 2.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 2k60 h ILE 142 CO -0.04 0.43 0.00 0.00 -1.05 0.00 0.00 178.15 177.50 2k60 h THR 143 N -0.31 0.00 0.00 0.16 1.03 -0.89 0.01 112.91 112.91 2k60 h THR 143 Ca -0.01 -0.55 -0.20 0.00 -0.01 0.00 0.00 66.41 65.64 2k60 h THR 143 Cb 0.79 1.53 -0.03 0.00 -1.07 0.00 0.00 68.15 69.37 2k60 h THR 143 CO 0.04 0.00 -1.58 -1.22 -0.01 0.00 0.00 175.52 172.74 2k60 n TYR 144 N -3.01 0.00 0.14 0.00 4.01 0.20 -4.66 117.16 113.84 2k60 n TYR 144 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 2k60 n TYR 144 Cb 0.33 -0.46 0.02 0.00 -0.31 0.00 0.00 39.34 38.93 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 -0.49 0.88 -1.72 -0.72 2.07 -0.63 -3.47 116.25 112.16 2k60 h VAL 145 Ca -0.30 -2.25 -0.24 0.00 0.82 0.00 0.00 66.70 64.73 2k60 h VAL 145 Cb 1.19 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 2k60 h VAL 145 CO -0.18 0.50 -0.31 -0.62 0.02 0.00 0.00 177.57 176.98 2k60 n GLU 146 N -3.22 -0.97 -3.28 1.57 1.02 -0.01 -4.94 120.64 110.80 2k60 n GLU 146 Ca 0.02 0.58 -0.45 0.00 -0.02 0.00 0.00 57.16 57.29 2k60 n GLU 146 Cb 0.74 -4.75 -0.06 0.00 -0.02 0.00 0.00 31.44 27.35 2k60 n GLU 146 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k60 s LEU 147 N -3.47 5.62 -0.05 -4.62 2.01 -1.24 -4.93 118.68 111.99 2k60 s LEU 147 Ca 0.00 -1.40 0.01 0.00 0.01 0.00 0.00 54.13 52.76 2k60 s LEU 147 Cb -0.00 -2.26 0.10 0.00 0.01 0.00 0.00 46.19 44.04 2k60 s LEU 147 CO 0.00 -0.83 0.99 -0.81 1.01 0.00 0.00 176.35 176.72 2k60 n PRO 148 N 5.58 1.29 -0.63 1.29 -0.05 -1.26 -3.69 135.00 137.52 2k60 n PRO 148 Ca -0.11 -0.43 0.09 0.00 -0.05 0.00 0.00 63.50 62.99 2k60 n PRO 148 Cb 0.43 -1.30 0.35 0.00 -0.05 0.00 0.00 33.50 32.93 2k60 n PRO 148 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 2k60 n GLN 149 N 0.21 3.78 -0.33 0.54 -0.06 -1.26 -4.64 117.38 115.62 2k60 n GLN 149 Ca 0.07 -2.78 0.03 0.00 -2.00 0.00 0.00 57.00 52.32 2k60 n GLN 149 Cb 0.58 -1.93 0.18 0.00 -4.06 0.00 0.00 30.24 25.02 2k60 n GLN 149 CO 0.00 0.00 0.00 0.10 -0.20 0.00 0.00 177.06 176.96 2k60 h TYR 150 N 3.93 1.03 0.38 3.69 -0.00 -1.96 -0.22 116.97 123.82 2k60 h TYR 150 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.75 2k60 h TYR 150 Cb 1.48 -0.33 -0.01 0.00 -0.00 0.00 0.00 36.73 37.87 2k60 h TYR 150 CO 0.79 0.46 -0.30 1.49 -0.00 0.00 0.00 178.16 180.60 2k60 h GLU 151 N 0.96 -0.65 0.16 0.10 4.22 -1.94 0.63 114.58 118.06 2k60 h GLU 151 Ca 0.43 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.90 2k60 h GLU 151 Cb 0.32 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2k60 h GLU 151 CO -0.22 -0.43 -0.08 0.93 -2.18 0.00 0.00 179.01 177.03 2k60 h GLU 152 N -0.68 -0.21 -0.80 1.92 5.08 -1.80 -1.74 114.58 116.35 2k60 h GLU 152 Ca -0.03 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2k60 h GLU 152 Cb 0.59 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2k60 h GLU 152 CO -0.01 -0.05 0.37 0.00 -1.00 0.00 0.00 179.01 178.32 2k60 h THR 153 N -0.33 1.25 -0.40 1.13 1.03 -0.90 0.42 112.91 115.11 2k60 h THR 153 Ca -0.02 -0.73 -0.14 0.00 -0.01 0.00 0.00 66.41 65.51 2k60 h THR 153 Cb 0.26 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 67.57 2k60 h THR 153 CO 0.04 0.31 -0.29 2.19 -0.01 0.00 0.00 175.52 177.76 2k60 h PHE 154 N 1.14 1.02 0.00 0.00 -5.15 -0.79 0.10 116.94 113.26 2k60 h PHE 154 Ca 0.27 -0.26 -0.05 0.00 -0.20 0.00 0.00 57.97 57.73 2k60 h PHE 154 Cb 0.14 -0.23 -0.01 0.00 0.22 0.00 0.00 35.95 36.07 2k60 h PHE 154 CO 0.02 1.05 -0.26 0.07 -2.00 0.00 0.00 178.31 177.19 2k60 h ARG 155 N 0.74 0.00 0.00 6.09 0.11 -0.50 0.21 114.38 121.04 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 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 2k60 h ARG 155 CO 0.07 0.26 -0.00 0.87 0.10 0.00 0.00 179.97 181.27 2k60 h LYS 156 N 0.00 0.00 0.00 0.08 1.79 0.41 -3.41 116.57 115.44 2k60 h LYS 156 Ca -0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k60 h LYS 156 Cb 0.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2k60 h LYS 156 CO 0.03 0.90 0.00 1.47 -1.08 0.00 0.00 179.45 180.77 2k60 n LEU 157 N -4.66 0.24 -2.97 2.94 -0.00 0.30 -5.01 117.00 107.85 2k60 n LEU 157 Ca -0.10 -0.59 -0.09 0.00 -0.00 0.00 0.00 56.01 55.23 2k60 n LEU 157 Cb 0.43 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.86 2k60 n LEU 157 CO 0.34 0.06 -0.28 0.00 -0.00 0.00 0.00 177.39 177.51 2k60 n GLN 158 N -0.69 -2.36 -2.63 1.47 6.02 0.74 -4.99 117.38 114.94 2k60 n GLN 158 Ca 0.00 2.03 -0.25 0.00 -0.01 0.00 0.00 57.00 58.77 2k60 n GLN 158 Cb 0.00 -4.23 0.02 0.00 1.02 0.00 0.00 30.24 27.06 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 -1.98 3.42 0.00 1.08 2.34 -1.26 -4.84 118.68 117.44 2k60 s LEU 159 Ca 0.14 0.57 0.00 0.00 0.06 0.00 0.00 54.13 54.91 2k60 s LEU 159 Cb -0.03 -3.43 0.00 0.00 -0.56 0.00 0.00 46.19 42.17 2k60 s LEU 159 CO 0.67 -0.89 0.00 -1.54 -1.06 0.00 0.00 176.35 173.53 2k60 n SER 160 N -2.37 0.00 0.30 1.48 3.41 -1.26 -3.73 113.62 111.44 2k60 n SER 160 Ca 0.03 -0.12 0.17 0.00 -0.26 0.00 0.00 58.87 58.69 2k60 n SER 160 Cb 0.57 0.00 0.93 0.00 -0.26 0.00 0.00 64.21 65.46 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 1.43 5.00 0.00 -1.11 0.22 103.07 108.60 2k60 h GLY 161 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2k60 h GLY 161 CO 0.00 0.00 -1.38 0.84 0.00 0.00 0.00 176.54 176.00 2k60 h HIS 162 N 0.00 0.60 -0.00 5.60 -0.00 -1.84 -3.30 115.15 116.21 2k60 h HIS 162 Ca -0.00 -0.44 -0.14 0.00 -0.00 0.00 0.00 60.37 59.79 2k60 h HIS 162 Cb 0.13 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 2k60 h HIS 162 CO 0.00 1.38 -0.67 0.00 -0.00 0.00 0.00 177.93 178.64 2k60 h ALA 163 N 0.45 0.89 -0.55 5.26 0.00 -1.55 -2.21 119.26 121.55 2k60 h ALA 163 Ca -0.19 -0.61 0.08 0.00 0.00 0.00 0.00 54.91 54.19 2k60 h ALA 163 Cb 2.03 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.61 2k60 h ALA 163 CO 0.21 0.84 -0.43 0.52 0.00 0.00 0.00 179.25 180.38 2k60 h MET 164 N 0.00 -0.23 -0.26 0.00 2.86 -0.70 0.92 114.93 117.52 2k60 h MET 164 Ca -0.01 0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 2k60 h MET 164 Cb 1.19 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.90 2k60 h MET 164 CO 0.09 -0.16 -0.47 -1.00 1.06 0.00 0.00 176.91 176.43 2k60 h PRO 165 N -0.24 0.78 0.00 -0.22 0.13 -1.73 -2.47 132.00 128.24 2k60 h PRO 165 Ca 0.17 -0.49 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k60 h PRO 165 Cb 0.57 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 2k60 h PRO 165 CO -0.67 1.12 -0.02 0.07 -0.23 0.00 0.00 178.00 178.27 2k60 h ARG 166 N 0.52 0.00 0.00 0.86 -0.00 -0.60 -1.54 114.38 113.62 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 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.05 2k60 h ARG 166 CO 0.11 0.02 -1.03 1.47 -0.00 0.00 0.00 179.97 180.53 2k60 n LEU 167 N -3.70 0.61 0.00 0.08 -0.00 0.31 -4.03 117.00 110.28 2k60 n LEU 167 Ca -0.03 -0.04 0.12 0.00 -0.00 0.00 0.00 56.01 56.06 2k60 n LEU 167 Cb 0.10 -0.09 0.52 0.00 -0.00 0.00 0.00 43.42 43.95 2k60 n LEU 167 CO 0.27 0.05 0.88 0.00 -0.00 0.00 0.00 177.39 178.59 2k60 n ALA 168 N -1.81 2.11 -2.71 1.47 0.00 -0.58 -4.62 120.51 114.36 2k60 n ALA 168 Ca 0.02 -0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 2k60 n ALA 168 Cb 0.43 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 2k60 n ALA 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k60 s VAL 169 N -3.00 5.10 0.21 0.00 0.11 -1.22 -4.43 120.40 117.17 2k60 s VAL 169 Ca 0.12 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 2k60 s VAL 169 Cb 0.16 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 2k60 s VAL 169 CO 0.44 0.31 0.00 0.35 -3.33 0.00 0.00 175.10 172.87 2k60 n THR 170 N 4.72 0.00 -0.07 5.04 -2.24 -1.26 -4.38 114.28 116.08 2k60 n THR 170 Ca -0.15 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.56 2k60 n THR 170 Cb 0.52 -0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.33 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 -3.87 1.58 -0.23 3.42 0.23 -1.26 -4.60 115.26 110.52 2k60 n ASN 171 Ca 0.01 -0.01 0.01 0.00 -0.53 0.00 0.00 54.58 54.06 2k60 n ASN 171 Cb 0.42 0.75 0.13 0.00 -2.08 0.00 0.00 39.78 39.00 2k60 n ASN 171 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2k60 h THR 172 N 0.00 0.83 -0.41 5.53 2.02 -1.94 -1.28 112.91 117.66 2k60 h THR 172 Ca -0.39 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2k60 h THR 172 Cb 1.86 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 2k60 h THR 172 CO 0.01 0.10 0.09 0.74 0.37 0.00 0.00 175.52 176.83 2k60 h THR 173 N 0.56 1.23 0.00 3.16 2.02 -1.83 -3.22 112.91 114.83 2k60 h THR 173 Ca 0.34 -0.82 -0.19 0.00 0.77 0.00 0.00 66.41 66.51 2k60 h THR 173 Cb 0.37 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 2k60 h THR 173 CO -0.27 0.29 -0.90 -0.03 0.37 0.00 0.00 175.52 174.98 2k60 h MET 174 N 0.52 0.00 -5.55 6.66 1.85 -1.68 -3.41 114.93 113.31 2k60 h MET 174 Ca 0.13 0.00 -0.56 0.00 -0.61 0.00 0.00 59.70 58.66 2k60 h MET 174 Cb 0.34 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.31 2k60 h MET 174 CO 0.00 0.89 1.86 -2.37 -0.40 0.00 0.00 176.91 176.89 2k60 n THR 175 N -3.32 3.11 -2.12 -0.77 5.66 -0.53 -4.90 114.28 111.41 2k60 n THR 175 Ca 0.00 -3.19 -0.43 0.00 -3.05 0.00 0.00 64.05 57.39 2k60 n THR 175 Cb 0.90 -2.30 -0.03 0.00 -1.55 0.00 0.00 70.33 67.35 2k60 n THR 175 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2k60 s GLY 176 N 5.00 1.12 0.00 1.09 0.00 -1.26 -4.16 107.32 109.10 2k60 s GLY 176 Ca 0.59 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.66 2k60 s GLY 176 CO 0.09 3.03 0.00 2.41 0.00 0.00 0.00 173.10 178.63 2k60 n THR 177 N 6.69 0.00 -3.60 0.90 -1.04 -1.26 -4.42 114.28 111.56 2k60 n THR 177 Ca 0.19 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.18 2k60 n THR 177 Cb 0.46 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.91 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 0.00 -0.41 -0.10 12.58 0.11 -1.26 -5.04 120.40 126.27 2k60 s VAL 178 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2k60 s VAL 178 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2k60 s VAL 178 CO 0.00 0.00 -0.12 0.18 -3.33 0.00 0.00 175.10 171.83 2k60 n LEU 179 N 4.68 1.76 -3.51 2.54 4.32 -1.26 -4.95 117.00 120.57 2k60 n LEU 179 Ca -0.15 0.05 -0.17 0.00 -0.02 0.00 0.00 56.01 55.72 2k60 n LEU 179 Cb 0.54 -0.33 -0.06 0.00 -1.62 0.00 0.00 43.42 41.96 2k60 n LEU 179 CO -0.02 0.42 0.43 -0.75 -1.22 0.00 0.00 177.39 176.25 2k60 s LYS 180 N -2.20 1.08 -0.06 3.23 2.20 -1.26 -4.94 119.74 117.80 2k60 s LYS 180 Ca -0.14 0.17 0.04 0.00 -0.36 0.00 0.00 55.97 55.68 2k60 s LYS 180 Cb 0.05 0.51 -0.25 0.00 -1.51 0.00 0.00 37.83 36.63 2k60 s LYS 180 CO 0.21 -0.36 0.60 0.00 -0.36 0.00 0.00 175.35 175.44 2k60 h MET 181 N 2.88 0.12 -6.20 4.03 -0.00 -2.03 -3.44 114.93 110.29 2k60 h MET 181 Ca -0.28 -0.20 -0.54 0.00 -0.00 0.00 0.00 59.70 58.69 2k60 h MET 181 Cb 1.16 0.07 -0.04 0.00 -0.00 0.00 0.00 31.60 32.80 2k60 h MET 181 CO 0.39 0.81 1.26 0.95 -0.00 0.00 0.00 176.91 180.32 2k60 s THR 182 N -2.59 3.52 0.19 -0.10 -4.23 -1.26 -4.85 115.64 106.32 2k60 s THR 182 Ca -0.11 0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 60.72 2k60 s THR 182 Cb 0.07 -3.98 0.10 0.00 1.34 0.00 0.00 72.50 70.03 2k60 s THR 182 CO 0.81 -0.81 1.78 -2.24 -0.54 0.00 0.00 174.62 173.62 2k60 h ASP 183 N 13.20 0.33 -0.02 3.99 2.03 -1.99 0.23 116.42 134.19 2k60 h ASP 183 Ca -0.29 0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.05 2k60 h ASP 183 Cb 1.14 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2k60 h ASP 183 CO 1.14 0.22 -0.02 -0.09 -1.03 0.00 0.00 179.24 179.47 2k60 h ARG 184 N 0.48 0.05 -0.18 4.15 9.65 -1.99 -1.47 114.38 125.07 2k60 h ARG 184 Ca 0.25 -0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 58.95 2k60 h ARG 184 Cb 0.20 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 2k60 h ARG 184 CO -0.20 0.53 -0.52 1.03 2.80 0.00 0.00 179.97 183.62 2k60 h SER 185 N -0.42 0.57 0.22 -3.80 0.87 -1.91 0.13 113.55 109.21 2k60 h SER 185 Ca 0.00 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 2k60 h SER 185 Cb 0.52 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2k60 h SER 185 CO 0.01 0.98 -0.11 -0.74 -0.53 0.00 0.00 176.83 176.44 2k60 h HIS 186 N 0.40 -0.28 -0.50 2.24 -0.00 -0.54 -0.23 115.15 116.24 2k60 h HIS 186 Ca 0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 2k60 h HIS 186 Cb 1.04 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.52 2k60 h HIS 186 CO 0.04 -0.01 0.17 0.07 -0.00 0.00 0.00 177.93 178.20 2k60 h ARG 187 N -0.52 0.74 -0.05 5.26 0.11 -1.15 -1.40 114.38 117.37 2k60 h ARG 187 Ca -0.03 -0.12 -0.00 0.00 0.10 0.00 0.00 59.98 59.92 2k60 h ARG 187 Cb 0.39 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.34 2k60 h ARG 187 CO 0.05 0.64 0.02 1.96 0.10 0.00 0.00 179.97 182.73 2k60 h GLN 188 N 0.73 0.08 0.19 0.08 1.08 -0.76 0.44 115.11 116.95 2k60 h GLN 188 Ca 0.17 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2k60 h GLN 188 Cb 0.20 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2k60 h GLN 188 CO -0.01 0.26 -0.09 0.87 -0.95 0.00 0.00 178.83 178.90 2k60 h LYS 189 N -0.11 -0.25 -0.04 1.46 1.79 -0.76 0.60 116.57 119.26 2k60 h LYS 189 Ca 0.02 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2k60 h LYS 189 Cb 0.21 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2k60 h LYS 189 CO -0.00 -0.16 0.01 -0.07 -1.08 0.00 0.00 179.45 178.15 2k60 h LEU 190 N -0.26 0.05 -0.54 2.94 -0.00 -1.23 -1.98 115.31 114.29 2k60 h LEU 190 Ca -0.03 -0.19 -0.09 0.00 -0.00 0.00 0.00 57.88 57.58 2k60 h LEU 190 Cb 0.20 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 2k60 h LEU 190 CO 0.04 0.23 -0.01 0.06 -0.00 0.00 0.00 178.44 178.76 2k60 h GLN 191 N -0.13 0.96 0.11 1.13 3.07 -0.06 0.23 115.11 120.43 2k60 h GLN 191 Ca 0.01 -0.31 0.01 0.00 0.09 0.00 0.00 58.65 58.45 2k60 h GLN 191 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.64 2k60 h GLN 191 CO -0.00 0.97 -0.18 -0.07 0.09 0.00 0.00 178.83 179.64 2k60 h LEU 192 N 0.84 -0.49 -0.03 0.06 -0.00 -0.78 0.36 115.31 115.26 2k60 h LEU 192 Ca 0.15 0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 58.05 2k60 h LEU 192 Cb 0.54 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2k60 h LEU 192 CO 0.03 -0.26 -0.13 0.11 -0.00 0.00 0.00 178.44 178.19 2k60 h LYS 193 N -0.35 0.15 -0.33 1.13 6.56 -1.26 -1.88 116.57 120.58 2k60 h LYS 193 Ca 0.02 -0.11 -0.05 0.00 -1.06 0.00 0.00 60.65 59.45 2k60 h LYS 193 Cb 0.36 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 2k60 h LYS 193 CO -0.09 0.76 0.01 0.00 -2.06 0.00 0.00 179.45 178.07 2k60 h ALA 194 N 0.39 0.45 -0.25 3.86 0.00 -0.48 -0.51 119.26 122.71 2k60 h ALA 194 Ca -0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2k60 h ALA 194 Cb 0.78 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k60 h ALA 194 CO 0.03 0.20 -0.15 1.25 0.00 0.00 0.00 179.25 180.58 2k60 h LEU 195 N 0.39 0.56 -1.61 0.00 5.85 -0.37 0.23 115.31 120.36 2k60 h LEU 195 Ca 0.10 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2k60 h LEU 195 Cb 0.43 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2k60 h LEU 195 CO 0.02 0.87 0.04 -0.78 -0.34 0.00 0.00 178.44 178.24 2k60 h ASP 196 N 0.26 0.26 -0.08 1.25 3.58 -1.26 -0.69 116.42 119.74 2k60 h ASP 196 Ca 0.05 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 2k60 h ASP 196 Cb 0.67 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 2k60 h ASP 196 CO 0.04 0.28 -0.13 0.74 -2.88 0.00 0.00 179.24 177.29 2k60 h THR 197 N 0.29 1.40 0.00 2.25 2.02 -0.59 0.19 112.91 118.47 2k60 h THR 197 Ca 0.07 -1.39 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 2k60 h THR 197 Cb 0.13 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2k60 h THR 197 CO -0.00 0.39 -0.19 -0.37 0.37 0.00 0.00 175.52 175.72 2k60 h VAL 198 N -0.24 0.60 0.09 3.16 -1.51 -0.14 -1.47 116.25 116.74 2k60 h VAL 198 Ca 0.01 -0.87 -0.34 0.00 -1.23 0.00 0.00 66.70 64.26 2k60 h VAL 198 Cb 0.69 1.57 -0.03 0.00 -2.13 0.00 0.00 31.29 31.40 2k60 h VAL 198 CO 0.03 0.19 -1.90 -0.07 -1.23 0.00 0.00 177.57 174.59 2k60 h LEU 199 N 0.00 0.30 0.00 4.19 3.38 -1.12 -3.44 115.31 118.62 2k60 h LEU 199 Ca -0.00 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2k60 h LEU 199 Cb 0.55 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2k60 h LEU 199 CO 0.02 1.61 0.00 0.33 0.09 0.00 0.00 178.44 180.49 2k60 n PHE 200 N -3.36 0.00 -0.54 1.13 7.35 0.65 -4.79 117.46 117.90 2k60 n PHE 200 Ca -0.27 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.42 2k60 n PHE 200 Cb 1.05 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.88 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41