#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xln s LYS 2 N 0.00 4.85 -0.01 1.43 -0.14 -1.26 0.95 119.74 125.56 1xln s LYS 2 Ca 0.00 1.48 0.00 0.00 -1.36 0.00 0.00 55.97 56.09 1xln s LYS 2 Cb 0.00 -3.28 0.02 0.00 -1.68 0.00 0.00 37.83 32.89 1xln s LYS 2 CO 0.00 0.52 0.01 0.08 -0.76 0.00 0.00 175.35 175.20 1xln s VAL 3 N -1.17 0.03 -0.20 3.17 1.01 -0.37 -0.12 120.40 122.75 1xln s VAL 3 Ca 0.41 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 1xln s VAL 3 Cb -0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 1xln s VAL 3 CO 0.32 0.07 -0.10 -0.69 0.00 0.00 0.00 175.10 174.70 1xln s VAL 4 N 0.64 2.94 -0.29 2.92 1.01 -0.06 -0.68 120.40 126.87 1xln s VAL 4 Ca -0.06 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1xln s VAL 4 Cb -0.08 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1xln s VAL 4 CO -0.02 0.47 0.16 -0.31 0.00 0.00 0.00 175.10 175.40 1xln s TYR 5 N 1.31 3.18 -0.23 5.22 1.51 0.19 -1.35 117.35 127.17 1xln s TYR 5 Ca 0.04 -0.24 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1xln s TYR 5 Cb -0.14 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.32 1xln s TYR 5 CO -0.05 -0.32 0.08 0.08 -1.11 0.00 0.00 175.55 174.23 1xln s VAL 6 N 1.68 4.56 0.92 0.71 1.01 -0.56 -1.32 120.40 127.40 1xln s VAL 6 Ca 0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 1xln s VAL 6 Cb -0.16 -3.12 0.16 0.00 0.00 0.00 0.00 36.38 33.26 1xln s VAL 6 CO 0.08 0.36 1.26 -0.44 0.00 0.00 0.00 175.10 176.36 1xln s SER 7 N 1.28 3.52 0.29 3.32 0.01 0.31 -0.27 113.70 122.16 1xln s SER 7 Ca 0.05 0.50 -0.00 0.00 1.31 0.00 0.00 55.95 57.80 1xln s SER 7 Cb -0.15 -0.73 0.43 0.00 0.21 0.00 0.00 66.02 65.78 1xln s SER 7 CO 0.04 -2.50 1.82 -0.74 0.41 0.00 0.00 173.24 172.27 1xln h HIS 8 N -1.47 0.79 -0.09 2.43 2.76 -1.89 -1.56 115.15 116.12 1xln h HIS 8 Ca -0.45 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 1xln h HIS 8 Cb 1.27 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1xln h HIS 8 CO -0.61 0.69 0.00 -0.40 -1.30 0.00 0.00 177.93 176.31 1xln n ASP 9 N -4.26 0.53 0.00 3.26 3.85 -1.26 -4.87 116.55 113.80 1xln n ASP 9 Ca 0.03 -1.88 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 1xln n ASP 9 Cb 0.25 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 1xln n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xln n GLY 10 N 0.71 0.88 3.72 6.12 0.00 -0.59 -5.02 105.19 111.03 1xln n GLY 10 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1xln n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xln s THR 11 N -3.52 2.64 -0.12 2.61 2.01 -1.26 -4.68 115.64 113.32 1xln s THR 11 Ca 0.00 0.47 -0.01 0.00 0.31 0.00 0.00 61.69 62.45 1xln s THR 11 Cb 0.00 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1xln s THR 11 CO 0.00 0.04 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.76 1xln s ARG 12 N 0.98 3.35 -0.10 4.92 0.52 -1.26 -0.53 118.95 126.82 1xln s ARG 12 Ca 0.69 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 55.33 1xln s ARG 12 Cb -0.43 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.31 1xln s ARG 12 CO 0.32 0.34 -0.12 1.03 0.02 0.00 0.00 175.30 176.89 1xln s ARG 13 N 0.06 1.90 -0.18 3.54 0.52 -0.43 -4.99 118.95 119.37 1xln s ARG 13 Ca -0.02 -0.44 -0.07 0.00 -0.52 0.00 0.00 55.73 54.68 1xln s ARG 13 Cb -0.14 -1.68 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 1xln s ARG 13 CO 0.03 -0.10 0.06 -2.00 0.02 0.00 0.00 175.30 173.32 1xln s GLU 14 N 1.09 3.95 0.10 3.54 2.12 -1.26 -0.64 118.70 127.61 1xln s GLU 14 Ca -0.06 -0.36 0.08 0.00 0.36 0.00 0.00 54.97 55.00 1xln s GLU 14 Cb -0.14 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 1xln s GLU 14 CO -0.02 0.26 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.24 1xln s LEU 15 N 0.40 2.30 -0.47 2.70 1.43 0.14 -4.98 118.68 120.20 1xln s LEU 15 Ca 0.03 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 1xln s LEU 15 Cb -0.13 -0.90 0.06 0.00 0.03 0.00 0.00 46.19 45.26 1xln s LEU 15 CO 0.00 0.07 0.42 -0.62 0.23 0.00 0.00 176.35 176.45 1xln s ASP 16 N -1.88 6.16 -0.18 2.29 3.68 -1.26 -1.24 116.67 124.23 1xln s ASP 16 Ca 0.07 -1.17 -0.07 0.00 2.13 0.00 0.00 52.55 53.50 1xln s ASP 16 Cb -0.10 -2.20 -0.04 0.00 -1.45 0.00 0.00 42.92 39.13 1xln s ASP 16 CO 0.04 -0.66 0.06 -0.69 0.13 0.00 0.00 175.17 174.06 1xln s VAL 17 N 1.83 4.79 0.63 1.11 1.01 0.27 -4.75 120.40 125.29 1xln s VAL 17 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1xln s VAL 17 Cb -0.22 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1xln s VAL 17 CO 0.08 0.46 1.04 0.00 0.00 0.00 0.00 175.10 176.68 1xln s ALA 18 N 0.38 2.90 0.31 5.51 0.00 -1.26 0.30 121.76 129.90 1xln s ALA 18 Ca 0.03 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 1xln s ALA 18 Cb -0.12 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 1xln s ALA 18 CO 0.00 -0.84 1.58 -0.25 0.00 0.00 0.00 175.76 176.25 1xln n ASP 19 N -2.65 3.85 0.00 0.00 8.00 -1.26 -2.43 116.55 122.06 1xln n ASP 19 Ca 0.07 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.73 1xln n ASP 19 Cb 0.54 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 1xln n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xln n GLY 20 N 1.83 1.34 3.79 0.44 0.00 -0.41 -5.00 105.19 107.18 1xln n GLY 20 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1xln n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xln s VAL 21 N -2.85 5.11 0.55 1.61 1.01 -1.02 -4.80 120.40 120.01 1xln s VAL 21 Ca 0.00 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.65 1xln s VAL 21 Cb 0.00 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1xln s VAL 21 CO 0.00 0.49 1.00 -0.94 0.00 0.00 0.00 175.10 175.66 1xln s SER 22 N -0.45 6.43 0.55 3.32 1.04 -1.26 -1.14 113.70 122.19 1xln s SER 22 Ca 0.23 1.55 0.30 0.00 0.48 0.00 0.00 55.95 58.51 1xln s SER 22 Cb -0.16 -2.50 1.62 0.00 0.10 0.00 0.00 66.02 65.08 1xln s SER 22 CO 0.11 -0.72 2.13 -0.07 0.98 0.00 0.00 173.24 175.67 1xln h LEU 23 N 0.52 0.00 -0.05 2.42 4.07 -0.94 -1.92 115.31 119.40 1xln h LEU 23 Ca -0.46 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.44 1xln h LEU 23 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1xln h LEU 23 CO 0.61 0.08 -0.18 -0.03 -1.08 0.00 0.00 178.44 177.83 1xln h MET 24 N 0.00 0.22 -0.58 1.13 4.05 -1.80 -1.92 114.93 116.04 1xln h MET 24 Ca -0.00 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.29 1xln h MET 24 Cb 0.24 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 1xln h MET 24 CO 0.01 0.79 0.33 1.96 0.23 0.00 0.00 176.91 180.24 1xln h GLN 25 N -0.31 0.63 -0.64 0.39 4.20 -1.72 -1.48 115.11 116.19 1xln h GLN 25 Ca -0.01 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1xln h GLN 25 Cb 0.82 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1xln h GLN 25 CO 0.04 0.42 0.08 0.00 -0.67 0.00 0.00 178.83 178.70 1xln h ALA 26 N 1.27 0.85 0.61 3.87 0.00 -1.41 -1.15 119.26 123.30 1xln h ALA 26 Ca 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xln h ALA 26 Cb 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xln h ALA 26 CO -0.12 0.63 -0.29 0.00 0.00 0.00 0.00 179.25 179.46 1xln h ALA 27 N 1.03 -0.82 0.00 0.00 0.00 -0.72 -2.44 119.26 116.31 1xln h ALA 27 Ca 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1xln h ALA 27 Cb 0.46 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1xln h ALA 27 CO 0.02 -0.94 -0.24 -0.39 0.00 0.00 0.00 179.25 177.70 1xln h VAL 28 N -0.86 1.04 0.00 0.00 -1.51 -1.30 -0.56 116.25 113.06 1xln h VAL 28 Ca -0.08 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 1xln h VAL 28 Cb 0.64 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1xln h VAL 28 CO 0.14 0.23 0.00 -0.24 -1.23 0.00 0.00 177.57 176.47 1xln n SER 29 N -4.07 0.27 -0.38 4.19 2.88 -0.44 -3.29 113.62 112.79 1xln n SER 29 Ca -0.02 0.55 0.07 0.00 -1.33 0.00 0.00 58.87 58.14 1xln n SER 29 Cb 0.30 -0.61 0.13 0.00 -0.75 0.00 0.00 64.21 63.28 1xln n SER 29 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1xln n ASN 30 N -1.78 1.76 0.00 -3.46 3.02 -0.60 -4.99 115.26 109.21 1xln n ASN 30 Ca 0.04 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1xln n ASN 30 Cb 0.25 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1xln n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xln n GLY 31 N -1.02 0.63 3.37 7.41 0.00 -1.14 -4.95 105.19 109.49 1xln n GLY 31 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1xln n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xln n ILE 32 N -2.73 4.27 0.59 -0.61 5.41 -0.32 -4.80 119.36 121.18 1xln n ILE 32 Ca 0.00 -4.68 0.09 0.00 1.00 0.00 0.00 62.75 59.16 1xln n ILE 32 Cb 0.00 -2.45 0.39 0.00 -0.71 0.00 0.00 39.64 36.87 1xln n ILE 32 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1xln n TYR 33 N 5.34 0.09 0.27 1.39 4.02 -1.26 -3.55 117.16 123.45 1xln n TYR 33 Ca 0.37 0.03 0.15 0.00 -0.01 0.00 0.00 57.90 58.44 1xln n TYR 33 Cb 0.42 -0.55 0.87 0.00 -0.02 0.00 0.00 39.34 40.05 1xln n TYR 33 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1xln h ASP 34 N 0.00 0.00 -0.69 7.72 3.32 -1.94 -2.90 116.42 121.93 1xln h ASP 34 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 1xln h ASP 34 Cb 0.32 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.47 1xln h ASP 34 CO 0.00 0.00 -0.80 2.30 -1.72 0.00 0.00 179.24 179.02 1xln n ILE 35 N -3.92 2.48 -1.82 0.35 -5.35 -1.23 -4.72 119.36 105.14 1xln n ILE 35 Ca -0.02 -4.12 -0.41 0.00 -0.27 0.00 0.00 62.75 57.92 1xln n ILE 35 Cb 0.14 -1.03 -0.02 0.00 -1.74 0.00 0.00 39.64 37.00 1xln n ILE 35 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xln s VAL 36 N -4.48 2.17 -0.60 7.28 1.01 -1.10 -4.31 120.40 120.37 1xln s VAL 36 Ca 0.50 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.40 1xln s VAL 36 Cb 0.41 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.76 1xln s VAL 36 CO 0.03 0.02 0.88 -0.83 0.00 0.00 0.00 175.10 175.21 1xln s GLY 37 N 0.41 1.48 0.17 4.51 0.00 -1.26 -4.16 107.32 108.47 1xln s GLY 37 Ca 0.62 -1.71 -0.14 0.00 0.00 0.00 0.00 44.72 43.49 1xln s GLY 37 CO 0.48 1.93 1.82 -1.80 0.00 0.00 0.00 173.10 175.53 1xln h ASP 38 N 9.38 0.63 0.88 1.64 -0.00 -1.91 -2.25 116.42 124.79 1xln h ASP 38 Ca -0.28 -0.04 0.00 0.00 -0.00 0.00 0.00 57.03 56.71 1xln h ASP 38 Cb 1.08 -0.16 0.00 0.00 -0.00 0.00 0.00 39.33 40.25 1xln h ASP 38 CO 1.12 0.48 0.00 0.00 -0.00 0.00 0.00 179.24 180.84 1xln n GLY 40 N 0.65 0.78 0.19 0.00 0.00 -0.85 -4.35 105.19 101.61 1xln n GLY 40 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xln n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xln n GLY 41 N -2.18 0.95 1.72 -0.02 0.00 -1.26 -4.99 105.19 99.41 1xln n GLY 41 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1xln n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xln n SER 42 N 0.10 3.78 -3.74 1.61 3.41 -1.26 -4.87 113.62 112.64 1xln n SER 42 Ca 0.00 -3.47 -0.23 0.00 -0.26 0.00 0.00 58.87 54.91 1xln n SER 42 Cb 0.00 -0.72 0.03 0.00 -0.26 0.00 0.00 64.21 63.26 1xln n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xln n ALA 43 N -0.76 -1.91 -0.06 7.33 0.00 -1.26 -4.90 120.51 118.96 1xln n ALA 43 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1xln n ALA 43 Cb 1.33 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1xln n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xln n SER 44 N -3.02 1.75 -0.42 0.00 7.64 -1.26 -4.74 113.62 113.57 1xln n SER 44 Ca -0.25 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1xln n SER 44 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1xln n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xln n ALA 46 N -3.00 2.24 1.36 0.00 0.00 -1.26 -4.80 120.51 115.05 1xln n ALA 46 Ca 0.00 -1.09 0.09 0.00 0.00 0.00 0.00 53.44 52.44 1xln n ALA 46 Cb 0.00 -0.44 0.35 0.00 0.00 0.00 0.00 19.45 19.36 1xln n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xln n THR 47 N 0.11 0.20 -0.69 0.00 -2.24 -1.26 -3.21 114.28 107.20 1xln n THR 47 Ca -0.01 -0.28 0.07 0.00 -2.27 0.00 0.00 64.05 61.56 1xln n THR 47 Cb 0.76 0.20 0.21 0.00 -2.10 0.00 0.00 70.33 69.41 1xln n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xln n HIS 49 N -0.20 2.49 -3.95 0.00 -0.00 -1.20 -1.31 115.22 111.06 1xln n HIS 49 Ca 0.17 0.34 -0.09 0.00 -0.00 0.00 0.00 57.72 58.14 1xln n HIS 49 Cb 0.70 -2.53 -0.07 0.00 -0.00 0.00 0.00 29.99 28.09 1xln n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1xln s VAL 50 N -0.01 0.09 -0.28 3.57 -7.23 -0.03 -4.31 120.40 112.20 1xln s VAL 50 Ca 0.66 -1.38 -0.06 0.00 -1.81 0.00 0.00 61.98 59.39 1xln s VAL 50 Cb -0.58 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1xln s VAL 50 CO 0.49 -0.39 0.06 -0.31 -0.31 0.00 0.00 175.10 174.64 1xln s TYR 51 N -3.95 3.11 -0.09 2.82 1.51 0.46 -0.98 117.35 120.23 1xln s TYR 51 Ca 0.15 -0.89 -0.30 0.00 -1.01 0.00 0.00 57.07 55.02 1xln s TYR 51 Cb 0.04 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 1xln s TYR 51 CO -0.02 -0.54 1.06 0.08 -1.11 0.00 0.00 175.55 175.02 1xln s VAL 52 N 1.51 4.63 0.28 0.71 1.01 -0.51 -0.03 120.40 127.99 1xln s VAL 52 Ca 0.04 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1xln s VAL 52 Cb -0.16 -4.23 -0.13 0.00 0.00 0.00 0.00 36.38 31.86 1xln s VAL 52 CO 0.02 -0.00 1.40 -3.20 0.00 0.00 0.00 175.10 173.32 1xln n ASN 53 N 5.09 2.91 -0.16 3.32 4.05 -0.62 -4.74 115.26 125.11 1xln n ASN 53 Ca 0.09 1.16 0.29 0.00 0.45 0.00 0.00 54.58 56.57 1xln n ASN 53 Cb 0.48 -1.47 0.72 0.00 1.23 0.00 0.00 39.78 40.75 1xln n ASN 53 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1xln h GLU 54 N 3.82 0.00 0.00 1.20 4.39 -1.93 0.25 114.58 122.31 1xln h GLU 54 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1xln h GLU 54 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1xln h GLU 54 CO 0.72 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.57 1xln n ALA 55 N -2.64 1.22 -1.54 3.43 0.00 -1.26 -2.28 120.51 117.44 1xln n ALA 55 Ca 0.18 0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.76 1xln n ALA 55 Cb 0.99 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 19.19 1xln n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xln n PHE 56 N -2.07 0.00 -0.31 0.00 3.01 0.84 -4.88 117.46 114.05 1xln n PHE 56 Ca -0.00 -0.22 0.05 0.00 1.01 0.00 0.00 57.45 58.28 1xln n PHE 56 Cb 0.08 -0.06 0.20 0.00 -0.01 0.00 0.00 39.48 39.69 1xln n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xln h THR 57 N 4.57 0.89 0.04 4.37 1.03 -1.06 -3.08 112.91 119.68 1xln h THR 57 Ca 0.00 -0.29 -0.33 0.00 -0.01 0.00 0.00 66.41 65.78 1xln h THR 57 Cb 1.20 -0.02 -0.04 0.00 -1.07 0.00 0.00 68.15 68.22 1xln h THR 57 CO 0.00 0.15 -1.92 -0.90 -0.01 0.00 0.00 175.52 172.85 1xln n ASP 58 N -4.72 1.27 -0.33 0.00 5.75 -1.26 -4.13 116.55 113.13 1xln n ASP 58 Ca 0.16 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.21 1xln n ASP 58 Cb 0.32 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1xln n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xln n LYS 59 N -3.17 0.24 -4.42 0.11 5.02 -1.16 -4.59 118.16 110.19 1xln n LYS 59 Ca -0.25 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.83 1xln n LYS 59 Cb 1.06 -1.08 -0.16 0.00 -0.02 0.00 0.00 35.03 34.83 1xln n LYS 59 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xln s VAL 60 N -1.35 0.84 0.16 -0.18 1.01 -1.24 -4.87 120.40 114.78 1xln s VAL 60 Ca 0.00 -0.37 -0.33 0.00 0.00 0.00 0.00 61.98 61.28 1xln s VAL 60 Cb 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 36.38 35.47 1xln s VAL 60 CO 0.00 0.27 1.20 -2.65 0.00 0.00 0.00 175.10 173.92 1xln n PRO 61 N 3.43 1.19 -1.94 2.72 -0.02 -1.26 -4.89 135.00 134.23 1xln n PRO 61 Ca -0.20 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.34 1xln n PRO 61 Cb 0.53 -1.95 0.04 0.00 -0.02 0.00 0.00 33.50 32.10 1xln n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xln s ALA 62 N -0.07 2.62 0.47 3.55 0.00 -1.26 -4.96 121.76 122.12 1xln s ALA 62 Ca 0.75 1.12 -0.24 0.00 0.00 0.00 0.00 51.96 53.59 1xln s ALA 62 Cb -0.86 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 18.70 1xln s ALA 62 CO 0.51 -1.23 1.29 0.00 0.00 0.00 0.00 175.76 176.33 1xln s ALA 63 N -1.48 3.02 0.66 0.00 0.00 -1.26 -5.04 121.76 117.66 1xln s ALA 63 Ca 0.76 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.93 1xln s ALA 63 Cb -0.34 -3.49 0.12 0.00 0.00 0.00 0.00 23.12 19.41 1xln s ALA 63 CO 0.38 -0.99 0.85 0.27 0.00 0.00 0.00 175.76 176.27 1xln n ASN 64 N -0.48 1.36 -0.16 0.00 2.04 -1.26 -4.84 115.26 111.92 1xln n ASN 64 Ca 0.07 -2.10 -0.05 0.00 -0.44 0.00 0.00 54.58 52.06 1xln n ASN 64 Cb 0.45 -0.53 0.04 0.00 -2.53 0.00 0.00 39.78 37.21 1xln n ASN 64 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 1xln h GLU 65 N 0.00 0.52 -0.48 -3.83 4.81 -1.99 0.20 114.58 113.81 1xln h GLU 65 Ca -0.28 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1xln h GLU 65 Cb 1.09 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 1xln h GLU 65 CO 0.32 0.35 0.30 0.00 -0.73 0.00 0.00 179.01 179.24 1xln h ARG 66 N 0.54 0.58 0.11 1.92 3.08 -1.95 -1.06 114.38 117.60 1xln h ARG 66 Ca 0.20 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1xln h ARG 66 Cb 0.06 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1xln h ARG 66 CO -0.11 0.38 -0.05 1.49 -1.07 0.00 0.00 179.97 180.61 1xln h GLU 67 N 0.59 -0.14 -0.63 0.04 4.81 -1.77 -2.05 114.58 115.44 1xln h GLU 67 Ca 0.19 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.56 1xln h GLU 67 Cb -0.01 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.29 1xln h GLU 67 CO -0.07 0.10 -0.07 0.82 -0.73 0.00 0.00 179.01 179.05 1xln h ILE 68 N -0.36 0.42 -0.36 2.32 2.04 -0.77 -0.41 117.51 120.41 1xln h ILE 68 Ca -0.01 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1xln h ILE 68 Cb 0.30 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1xln h ILE 68 CO 0.02 0.01 0.19 1.23 0.00 0.00 0.00 178.15 179.60 1xln h GLY 69 N 0.06 0.54 2.00 5.37 0.00 -1.05 -3.08 103.07 106.90 1xln h GLY 69 Ca 0.32 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1xln h GLY 69 CO -0.59 0.24 -0.26 -0.33 0.00 0.00 0.00 176.54 175.60 1xln h MET 70 N 0.45 0.00 -0.02 4.80 2.86 -0.55 -3.03 114.93 119.43 1xln h MET 70 Ca 0.12 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1xln h MET 70 Cb 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1xln h MET 70 CO -0.02 0.26 0.04 -0.07 1.06 0.00 0.00 176.91 178.18 1xln h LEU 71 N 0.00 0.00 -0.78 1.22 3.38 -1.02 -0.61 115.31 117.50 1xln h LEU 71 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xln h LEU 71 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1xln h LEU 71 CO 0.03 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 1xln n GLU 72 N -3.59 0.18 0.00 1.13 -0.58 -1.15 -2.22 120.64 114.41 1xln n GLU 72 Ca -0.02 0.45 0.12 0.00 -0.42 0.00 0.00 57.16 57.29 1xln n GLU 72 Cb 0.12 -1.87 0.20 0.00 -0.57 0.00 0.00 31.44 29.33 1xln n GLU 72 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1xln n SER 73 N -2.20 0.56 -4.66 1.62 7.64 -0.24 -4.95 113.62 111.40 1xln n SER 73 Ca 0.02 -0.30 -0.41 0.00 1.01 0.00 0.00 58.87 59.18 1xln n SER 73 Cb 0.19 0.33 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 1xln n SER 73 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1xln n VAL 74 N -1.54 2.47 0.03 0.44 0.24 -0.94 -4.89 118.33 114.13 1xln n VAL 74 Ca 0.05 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.65 1xln n VAL 74 Cb 0.34 -1.36 -0.14 0.00 -1.47 0.00 0.00 33.84 31.21 1xln n VAL 74 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1xln h THR 75 N 1.86 0.78 -4.27 3.34 1.35 -1.85 -3.47 112.91 110.65 1xln h THR 75 Ca -0.46 -2.47 -0.51 0.00 -0.55 0.00 0.00 66.41 62.43 1xln h THR 75 Cb 1.32 2.59 0.13 0.00 -1.73 0.00 0.00 68.15 70.46 1xln h THR 75 CO 0.59 0.84 0.31 0.00 -0.25 0.00 0.00 175.52 177.01 1xln s ALA 76 N -2.57 2.18 0.09 6.62 0.00 -1.26 -4.89 121.76 121.92 1xln s ALA 76 Ca -0.17 0.13 -0.36 0.00 0.00 0.00 0.00 51.96 51.55 1xln s ALA 76 Cb 0.06 -3.23 -0.16 0.00 0.00 0.00 0.00 23.12 19.80 1xln s ALA 76 CO 0.81 -1.79 1.41 -1.91 0.00 0.00 0.00 175.76 174.27 1xln n GLU 77 N -3.52 1.35 -2.88 0.00 2.13 -1.26 -4.89 120.64 111.56 1xln n GLU 77 Ca 0.08 0.49 -0.42 0.00 0.66 0.00 0.00 57.16 57.97 1xln n GLU 77 Cb 0.54 -2.16 -0.04 0.00 0.27 0.00 0.00 31.44 30.05 1xln n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1xln s LEU 78 N 0.70 4.06 0.37 4.31 1.98 -1.26 -5.02 118.68 123.81 1xln s LEU 78 Ca 0.84 0.60 0.08 0.00 -2.89 0.00 0.00 54.13 52.76 1xln s LEU 78 Cb -0.90 -3.16 -0.03 0.00 0.66 0.00 0.00 46.19 42.76 1xln s LEU 78 CO 0.46 -0.73 0.29 -0.54 -1.89 0.00 0.00 176.35 173.93 1xln s LYS 79 N 3.20 2.58 0.53 1.98 1.02 -1.26 -5.01 119.74 122.77 1xln s LYS 79 Ca 0.35 -1.45 0.19 0.00 0.02 0.00 0.00 55.97 55.08 1xln s LYS 79 Cb -0.13 -2.37 1.34 0.00 -0.52 0.00 0.00 37.83 36.15 1xln s LYS 79 CO 0.15 -0.01 2.12 -1.35 -0.92 0.00 0.00 175.35 175.34 1xln h PRO 80 N 1.23 0.00 -0.61 -1.68 0.11 -2.01 -1.70 132.00 127.35 1xln h PRO 80 Ca -0.43 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 1xln h PRO 80 Cb 1.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 1xln h PRO 80 CO 0.59 0.00 0.11 0.27 -0.21 0.00 0.00 178.00 178.77 1xln n ASN 81 N -4.45 5.08 -4.71 -2.05 6.94 -1.26 -4.97 115.26 109.84 1xln n ASN 81 Ca -0.00 -3.09 -0.42 0.00 -0.02 0.00 0.00 54.58 51.05 1xln n ASN 81 Cb 0.21 -0.70 -0.03 0.00 -2.36 0.00 0.00 39.78 36.90 1xln n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1xln s SER 82 N -1.08 7.24 0.17 0.53 0.01 -0.64 -1.43 113.70 118.51 1xln s SER 82 Ca 0.53 1.83 -0.00 0.00 1.31 0.00 0.00 55.95 59.62 1xln s SER 82 Cb 0.42 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1xln s SER 82 CO 0.14 -0.34 0.07 -0.13 0.41 0.00 0.00 173.24 173.39 1xln s ARG 83 N 0.96 1.09 -0.38 12.44 1.81 -0.15 -4.96 118.95 129.75 1xln s ARG 83 Ca 0.55 -1.55 -0.13 0.00 -1.72 0.00 0.00 55.73 52.88 1xln s ARG 83 Cb -0.25 0.11 0.02 0.00 -0.45 0.00 0.00 34.95 34.38 1xln s ARG 83 CO 0.29 -0.28 0.25 -0.51 -0.68 0.00 0.00 175.30 174.37 1xln s LEU 84 N -3.13 4.86 0.55 2.53 1.43 -1.26 -0.85 118.68 122.81 1xln s LEU 84 Ca 0.30 -0.85 0.32 0.00 -1.03 0.00 0.00 54.13 52.87 1xln s LEU 84 Cb 0.07 -2.11 1.48 0.00 0.03 0.00 0.00 46.19 45.66 1xln s LEU 84 CO 0.06 -0.39 1.86 0.77 0.23 0.00 0.00 176.35 178.89 1xln h SER 85 N 8.54 0.00 0.58 2.29 4.64 -1.53 0.17 113.55 128.23 1xln h SER 85 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1xln h SER 85 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1xln h SER 85 CO 0.69 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 1xln n GLN 87 N -1.45 0.10 -3.29 0.00 1.13 0.60 -4.82 117.38 109.64 1xln n GLN 87 Ca 0.06 -0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 54.62 1xln n GLN 87 Cb 0.20 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.97 1xln n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xln s ILE 88 N -2.95 5.06 -0.26 5.09 1.01 -0.97 -5.02 121.20 123.15 1xln s ILE 88 Ca 0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.56 1xln s ILE 88 Cb 0.17 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1xln s ILE 88 CO 0.81 -0.34 0.17 -0.63 0.00 0.00 0.00 174.94 174.94 1xln s ILE 89 N 2.25 5.24 0.29 2.92 -1.09 -1.26 -1.37 121.20 128.17 1xln s ILE 89 Ca 0.15 0.14 -0.29 0.00 -2.23 0.00 0.00 60.65 58.41 1xln s ILE 89 Cb -0.16 -3.47 -0.10 0.00 -1.58 0.00 0.00 42.46 37.14 1xln s ILE 89 CO 0.14 0.30 1.41 -0.32 -1.23 0.00 0.00 174.94 175.24 1xln s MET 90 N 1.45 4.27 0.12 2.79 1.75 -0.29 -4.86 119.30 124.53 1xln s MET 90 Ca 0.07 2.32 -0.10 0.00 -1.25 0.00 0.00 55.69 56.73 1xln s MET 90 Cb -0.15 -3.08 0.00 0.00 2.84 0.00 0.00 34.83 34.44 1xln s MET 90 CO 0.08 -0.37 0.25 0.95 -0.65 0.00 0.00 175.02 175.27 1xln s THR 91 N -0.45 0.11 0.53 10.11 -4.23 -1.26 -1.29 115.64 119.16 1xln s THR 91 Ca 0.56 -1.16 0.27 0.00 -1.18 0.00 0.00 61.69 60.17 1xln s THR 91 Cb -0.42 -1.48 0.42 0.00 1.34 0.00 0.00 72.50 72.37 1xln s THR 91 CO 0.48 -0.49 1.96 -0.65 -0.54 0.00 0.00 174.62 175.38 1xln h PRO 92 N 2.63 0.01 0.00 3.99 0.11 -1.96 -0.25 132.00 136.54 1xln h PRO 92 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1xln h PRO 92 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xln h PRO 92 CO 0.52 0.01 0.00 0.93 -0.21 0.00 0.00 178.00 179.25 1xln h GLU 93 N 0.01 0.00 -0.16 1.05 3.07 -1.99 -2.30 114.58 114.26 1xln h GLU 93 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1xln h GLU 93 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1xln h GLU 93 CO -0.01 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.88 1xln n LEU 94 N -2.85 2.59 -4.63 1.33 4.77 -0.11 -4.97 117.00 113.13 1xln n LEU 94 Ca -0.01 -0.99 -0.49 0.00 -0.03 0.00 0.00 56.01 54.49 1xln n LEU 94 Cb 0.19 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1xln n LEU 94 CO 0.22 0.49 1.06 -0.67 -1.33 0.00 0.00 177.39 177.16 1xln n ASP 95 N 0.97 2.37 0.00 -1.43 -0.08 -0.87 -1.04 116.55 116.47 1xln n ASP 95 Ca 0.17 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 1xln n ASP 95 Cb 0.50 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.66 1xln n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xln n GLY 96 N 3.03 0.96 3.71 0.27 0.00 0.83 -4.90 105.19 109.09 1xln n GLY 96 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1xln n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xln n ILE 97 N -2.00 2.11 -5.15 -0.61 3.06 -0.21 -4.70 119.36 111.88 1xln n ILE 97 Ca 0.00 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.44 1xln n ILE 97 Cb 0.00 -1.65 -0.17 0.00 0.54 0.00 0.00 39.64 38.36 1xln n ILE 97 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1xln s VAL 98 N -1.12 1.92 -0.02 9.51 1.01 -1.26 -0.89 120.40 129.55 1xln s VAL 98 Ca 0.56 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1xln s VAL 98 Cb -0.54 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1xln s VAL 98 CO 0.62 0.53 -0.10 0.68 0.00 0.00 0.00 175.10 176.83 1xln s VAL 99 N 0.19 0.85 -0.11 2.92 -7.23 -0.46 -1.58 120.40 114.98 1xln s VAL 99 Ca -0.13 -0.40 -0.19 0.00 -1.81 0.00 0.00 61.98 59.44 1xln s VAL 99 Cb -0.16 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 1xln s VAL 99 CO 0.06 0.26 0.53 -1.81 -0.31 0.00 0.00 175.10 173.83 1xln s ASP 100 N 0.12 6.75 -0.36 4.85 1.11 0.95 -1.50 116.67 128.59 1xln s ASP 100 Ca -0.02 0.90 -0.17 0.00 0.18 0.00 0.00 52.55 53.44 1xln s ASP 100 Cb -0.08 -2.32 -0.00 0.00 1.07 0.00 0.00 42.92 41.59 1xln s ASP 100 CO 0.00 -0.03 0.46 -0.69 1.18 0.00 0.00 175.17 176.09 1xln s VAL 101 N 0.70 5.07 0.27 -1.27 1.01 0.63 -0.40 120.40 126.41 1xln s VAL 101 Ca 0.29 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1xln s VAL 101 Cb -0.16 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.17 1xln s VAL 101 CO 0.12 -0.23 1.57 -2.16 0.00 0.00 0.00 175.10 174.40 1xln s PRO 102 N 2.25 4.16 0.34 2.72 0.04 -1.26 -3.45 135.00 139.79 1xln s PRO 102 Ca 0.15 2.51 0.02 0.00 0.04 0.00 0.00 61.00 63.73 1xln s PRO 102 Cb -0.16 -3.05 0.62 0.00 0.04 0.00 0.00 34.50 31.95 1xln s PRO 102 CO 0.13 -0.60 1.98 0.22 0.04 0.00 0.00 177.00 178.77 1xln h ASP 103 N 5.11 0.77 -3.12 6.66 1.82 -1.96 -3.42 116.42 122.29 1xln h ASP 103 Ca -0.46 -0.01 -0.65 0.00 -0.39 0.00 0.00 57.03 55.51 1xln h ASP 103 Cb 1.22 -0.18 -0.13 0.00 0.68 0.00 0.00 39.33 40.92 1xln h ASP 103 CO 0.81 0.54 -0.56 0.00 -1.61 0.00 0.00 179.24 178.41 1xln s ARG 104 N -5.77 3.48 0.00 0.28 1.70 -1.26 -4.95 118.95 112.44 1xln s ARG 104 Ca -0.10 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 1xln s ARG 104 Cb 0.18 -3.06 0.00 0.00 -0.57 0.00 0.00 34.95 31.50 1xln s ARG 104 CO 0.78 0.56 0.76 1.04 -1.08 0.00 0.00 175.30 177.36 1xln n GLN 105 N 2.62 1.60 0.00 3.89 1.13 -1.26 -4.07 117.38 121.28 1xln n GLN 105 Ca -0.18 -1.03 0.00 0.00 -1.94 0.00 0.00 57.00 53.84 1xln n GLN 105 Cb 0.53 -0.81 0.00 0.00 0.11 0.00 0.00 30.24 30.07 1xln n GLN 105 CO 0.00 0.00 0.00 -2.67 -1.44 0.00 0.00 177.06 172.95