#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 3.97 -0.02 1.43 1.02 -1.26 -0.00 119.74 124.88 1xln s LYS 2 Ca 0.00 0.47 0.03 0.00 0.02 0.00 0.00 55.97 56.49 1xln s LYS 2 Cb 0.00 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1xln s LYS 2 CO 0.00 0.68 -0.09 0.54 -0.92 0.00 0.00 175.35 175.56 1xln s VAL 3 N -1.06 0.77 -0.22 3.17 0.11 0.20 0.13 120.40 123.50 1xln s VAL 3 Ca 0.25 -0.37 -0.04 0.00 -2.93 0.00 0.00 61.98 58.89 1xln s VAL 3 Cb -0.17 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 1xln s VAL 3 CO 0.14 0.24 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.42 1xln s VAL 4 N 0.10 3.43 -0.35 2.04 1.01 0.28 -0.68 120.40 126.23 1xln s VAL 4 Ca -0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1xln s VAL 4 Cb -0.07 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1xln s VAL 4 CO 0.00 0.42 0.26 -0.31 0.00 0.00 0.00 175.10 175.47 1xln s TYR 5 N 1.43 3.23 -0.42 5.22 1.51 0.16 -1.02 117.35 127.47 1xln s TYR 5 Ca 0.05 -0.22 -0.13 0.00 -1.01 0.00 0.00 57.07 55.76 1xln s TYR 5 Cb -0.14 -2.51 0.04 0.00 -0.11 0.00 0.00 41.96 39.24 1xln s TYR 5 CO -0.03 -0.39 0.29 0.08 -1.11 0.00 0.00 175.55 174.40 1xln s VAL 6 N 1.75 4.95 1.04 0.71 1.01 -0.03 -0.89 120.40 128.95 1xln s VAL 6 Ca 0.07 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 1xln s VAL 6 Cb -0.17 -3.84 0.15 0.00 0.00 0.00 0.00 36.38 32.52 1xln s VAL 6 CO 0.11 -0.38 0.71 -0.24 0.00 0.00 0.00 175.10 175.29 1xln n SER 7 N 5.10 -1.36 0.27 3.32 2.88 0.14 -1.01 113.62 122.95 1xln n SER 7 Ca -0.11 0.13 0.11 0.00 -1.33 0.00 0.00 58.87 57.66 1xln n SER 7 Cb 0.45 -1.25 0.73 0.00 -0.75 0.00 0.00 64.21 63.39 1xln n SER 7 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1xln h HIS 8 N -2.08 0.00 -0.35 0.66 2.76 -1.80 -1.08 115.15 113.26 1xln h HIS 8 Ca -0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1xln h HIS 8 Cb 1.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.27 1xln h HIS 8 CO 0.34 0.07 0.00 -0.40 -1.30 0.00 0.00 177.93 176.64 1xln n ASP 9 N -4.05 3.65 0.00 3.26 3.85 -1.26 -4.89 116.55 117.11 1xln n ASP 9 Ca -0.03 -2.49 0.00 0.00 -0.71 0.00 0.00 54.79 51.56 1xln n ASP 9 Cb 0.15 -0.58 0.00 0.00 -1.35 0.00 0.00 41.12 39.35 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 0.46 1.75 3.68 6.12 0.00 -0.41 -5.00 105.19 111.79 1xln n GLY 10 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.14 3.03 -0.23 2.61 2.01 -1.26 -4.68 115.64 113.97 1xln s THR 11 Ca 0.00 0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.20 1xln s THR 11 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 1xln s THR 11 CO 0.00 -0.01 0.14 -0.13 -0.69 0.00 0.00 174.62 173.93 1xln s ARG 12 N 3.47 4.01 -0.28 4.92 0.52 -1.26 0.26 118.95 130.59 1xln s ARG 12 Ca 0.80 -0.30 0.02 0.00 -0.52 0.00 0.00 55.73 55.73 1xln s ARG 12 Cb -0.41 -3.48 0.07 0.00 0.52 0.00 0.00 34.95 31.66 1xln s ARG 12 CO 0.35 0.06 -0.04 1.03 0.02 0.00 0.00 175.30 176.72 1xln s ARG 13 N 1.05 1.75 -0.22 3.54 1.81 -0.07 -4.97 118.95 121.84 1xln s ARG 13 Ca 0.07 -1.38 -0.14 0.00 -1.72 0.00 0.00 55.73 52.56 1xln s ARG 13 Cb -0.14 -2.83 -0.04 0.00 -0.45 0.00 0.00 34.95 31.49 1xln s ARG 13 CO 0.04 -0.71 0.32 -2.00 -0.68 0.00 0.00 175.30 172.28 1xln s GLU 14 N 1.16 4.11 -0.02 3.54 2.12 -1.26 -0.66 118.70 127.69 1xln s GLU 14 Ca -0.01 0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.42 1xln s GLU 14 Cb -0.19 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 1xln s GLU 14 CO -0.08 -0.05 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.86 1xln s LEU 15 N 1.37 2.04 -0.47 2.70 1.43 0.14 -4.98 118.68 120.92 1xln s LEU 15 Ca 0.15 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 1xln s LEU 15 Cb -0.15 -1.16 0.08 0.00 0.03 0.00 0.00 46.19 44.99 1xln s LEU 15 CO 0.07 0.27 0.39 -0.62 0.23 0.00 0.00 176.35 176.69 1xln s ASP 16 N -0.48 6.07 0.17 2.29 3.68 -1.26 -0.63 116.67 126.51 1xln s ASP 16 Ca 0.07 -1.41 0.07 0.00 2.13 0.00 0.00 52.55 53.41 1xln s ASP 16 Cb -0.09 -2.16 -0.04 0.00 -1.45 0.00 0.00 42.92 39.18 1xln s ASP 16 CO -0.00 -0.65 0.03 0.68 0.13 0.00 0.00 175.17 175.35 1xln s VAL 17 N 1.60 3.90 0.32 1.11 -7.23 1.00 -4.73 120.40 116.37 1xln s VAL 17 Ca 0.04 -1.32 -0.29 0.00 -1.81 0.00 0.00 61.98 58.60 1xln s VAL 17 Cb -0.25 -2.96 -0.10 0.00 0.56 0.00 0.00 36.38 33.63 1xln s VAL 17 CO 0.06 -0.09 1.39 0.00 -0.31 0.00 0.00 175.10 176.15 1xln s ALA 18 N -1.70 3.56 0.39 1.32 0.00 -1.26 -0.01 121.76 124.06 1xln s ALA 18 Ca 0.28 1.36 -0.27 0.00 0.00 0.00 0.00 51.96 53.34 1xln s ALA 18 Cb -0.10 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 1xln s ALA 18 CO 0.20 -0.78 1.34 -0.51 0.00 0.00 0.00 175.76 176.01 1xln s ASP 19 N -0.14 6.36 0.00 0.00 1.01 -1.26 -2.50 116.67 120.13 1xln s ASP 19 Ca 0.53 2.74 0.00 0.00 0.71 0.00 0.00 52.55 56.53 1xln s ASP 19 Cb -0.42 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 40.86 1xln s ASP 19 CO 0.53 -0.83 0.00 0.61 0.21 0.00 0.00 175.17 175.69 1xln n GLY 20 N 0.66 2.59 3.76 0.21 0.00 0.37 -4.98 105.19 107.80 1xln n GLY 20 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.48 4.16 0.49 1.61 1.01 -1.04 -4.69 120.40 119.46 1xln s VAL 21 Ca 0.00 1.95 -0.16 0.00 0.00 0.00 0.00 61.98 63.77 1xln s VAL 21 Cb 0.00 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 1xln s VAL 21 CO 0.00 0.43 0.94 -0.94 0.00 0.00 0.00 175.10 175.53 1xln s SER 22 N -1.27 6.63 0.51 3.32 1.04 -1.26 -0.92 113.70 121.74 1xln s SER 22 Ca 0.42 1.50 0.20 0.00 0.48 0.00 0.00 55.95 58.54 1xln s SER 22 Cb -0.24 -2.48 1.30 0.00 0.10 0.00 0.00 66.02 64.71 1xln s SER 22 CO 0.29 -0.53 2.10 -0.07 0.98 0.00 0.00 173.24 176.01 1xln h LEU 23 N 1.06 0.00 -0.07 2.42 3.38 -1.10 -1.69 115.31 119.31 1xln h LEU 23 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1xln h LEU 23 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1xln h LEU 23 CO 0.62 0.08 -0.06 -0.03 0.09 0.00 0.00 178.44 179.14 1xln h MET 24 N 0.00 0.17 -0.36 1.13 4.05 -1.80 -2.55 114.93 115.56 1xln h MET 24 Ca -0.00 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1xln h MET 24 Cb 0.17 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 1xln h MET 24 CO 0.01 0.59 0.20 0.37 0.23 0.00 0.00 176.91 178.31 1xln h GLN 25 N -0.25 0.51 -0.87 0.39 5.75 -1.76 -0.38 115.11 118.50 1xln h GLN 25 Ca 0.01 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1xln h GLN 25 Cb 0.55 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.95 1xln h GLN 25 CO 0.02 0.42 0.56 0.00 -2.65 0.00 0.00 178.83 177.17 1xln h ALA 26 N 1.06 1.17 0.26 3.38 0.00 -1.38 -0.46 119.26 123.30 1xln h ALA 26 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xln h ALA 26 Cb 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1xln h ALA 26 CO -0.02 0.36 -0.13 0.00 0.00 0.00 0.00 179.25 179.46 1xln h ALA 27 N 1.38 -0.35 0.00 0.00 0.00 -0.98 -2.24 119.26 117.07 1xln h ALA 27 Ca 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xln h ALA 27 Cb 0.08 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xln h ALA 27 CO -0.14 -0.57 -0.08 -0.39 0.00 0.00 0.00 179.25 178.07 1xln h VAL 28 N -0.61 0.31 0.00 0.00 -1.51 -0.88 -1.37 116.25 112.19 1xln h VAL 28 Ca -0.04 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1xln h VAL 28 Cb 0.44 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1xln h VAL 28 CO 0.06 0.07 -0.28 0.28 -1.23 0.00 0.00 177.57 176.47 1xln h SER 29 N 0.00 0.00 -0.50 4.19 0.02 -0.97 -3.37 113.55 112.92 1xln h SER 29 Ca -0.00 -0.07 -0.36 0.00 -0.84 0.00 0.00 61.79 60.52 1xln h SER 29 Cb 0.35 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.55 1xln h SER 29 CO 0.01 0.03 -0.85 0.59 -1.14 0.00 0.00 176.83 175.47 1xln n ASN 30 N -2.40 3.33 -0.42 3.07 3.02 -0.69 -4.98 115.26 116.19 1xln n ASN 30 Ca 0.04 -3.25 -0.05 0.00 -0.03 0.00 0.00 54.58 51.29 1xln n ASN 30 Cb 0.46 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 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 -0.67 0.76 3.11 7.41 0.00 -1.18 -4.92 105.19 109.71 1xln n GLY 31 Ca 0.29 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.66 3.96 0.20 -0.61 2.08 -0.60 -4.79 119.36 116.94 1xln n ILE 32 Ca -0.05 -3.98 0.18 0.00 0.56 0.00 0.00 62.75 59.46 1xln n ILE 32 Cb 0.27 -2.45 0.83 0.00 -0.75 0.00 0.00 39.64 37.53 1xln n ILE 32 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 1xln h TYR 33 N 6.53 0.00 0.00 1.39 -0.00 -1.91 -2.32 116.97 120.66 1xln h TYR 33 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.18 1xln h TYR 33 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.47 1xln h TYR 33 CO 1.33 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 179.09 1xln n ASP 34 N -3.68 0.00 -4.19 0.10 5.75 -1.26 -4.43 116.55 108.84 1xln n ASP 34 Ca 0.02 -0.85 -0.33 0.00 -0.01 0.00 0.00 54.79 53.63 1xln n ASP 34 Cb 0.38 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.31 1xln n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1xln s ILE 35 N -2.00 2.15 -0.24 2.12 1.01 -0.87 -4.79 121.20 118.58 1xln s ILE 35 Ca 0.27 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 1xln s ILE 35 Cb 0.12 -1.86 -0.16 0.00 0.01 0.00 0.00 42.46 40.57 1xln s ILE 35 CO 0.21 0.55 -0.10 0.52 0.00 0.00 0.00 174.94 176.11 1xln n VAL 36 N 3.97 1.55 -3.58 2.92 0.31 -0.18 -4.70 118.33 118.62 1xln n VAL 36 Ca -0.20 -0.34 -0.23 0.00 -0.01 0.00 0.00 64.34 63.56 1xln n VAL 36 Cb 0.52 -1.84 0.08 0.00 -0.91 0.00 0.00 33.84 31.69 1xln n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xln n GLY 37 N 1.53 -0.53 0.28 2.92 0.00 -0.79 -4.92 105.19 103.68 1xln n GLY 37 Ca -0.45 0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 1xln n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xln h ASP 38 N -2.64 -0.80 0.34 1.61 -0.00 -1.95 -1.82 116.42 111.16 1xln h ASP 38 Ca -0.57 0.20 0.00 0.00 -0.00 0.00 0.00 57.03 56.65 1xln h ASP 38 Cb 1.37 0.45 0.00 0.00 -0.00 0.00 0.00 39.33 41.15 1xln h ASP 38 CO 0.55 -0.25 0.00 0.00 -0.00 0.00 0.00 179.24 179.54 1xln n GLY 40 N 0.04 0.77 0.00 0.00 0.00 -0.68 -4.26 105.19 101.05 1xln n GLY 40 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.17 1.08 1.90 -0.02 0.00 -1.26 -5.00 105.19 99.72 1xln n GLY 41 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 5.22 -3.79 1.61 3.41 -1.26 -4.83 113.62 113.98 1xln n SER 42 Ca 0.00 -3.09 -0.23 0.00 -0.26 0.00 0.00 58.87 55.29 1xln n SER 42 Cb 0.00 -0.71 0.02 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 0.18 -1.92 -0.21 7.33 0.00 -1.26 -4.88 120.51 119.75 1xln n ALA 43 Ca 0.34 -0.15 0.02 0.00 0.00 0.00 0.00 53.44 53.65 1xln n ALA 43 Cb 1.28 -2.14 0.02 0.00 0.00 0.00 0.00 19.45 18.62 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 -3.01 1.98 -1.06 0.00 7.64 -1.26 -4.88 113.62 113.03 1xln n SER 44 Ca -0.26 -2.14 -0.00 0.00 1.01 0.00 0.00 58.87 57.48 1xln n SER 44 Cb 0.66 -0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 -2.93 2.33 0.02 0.00 0.00 -1.26 -4.84 120.51 113.83 1xln n ALA 46 Ca -0.00 -1.95 0.07 0.00 0.00 0.00 0.00 53.44 51.55 1xln n ALA 46 Cb 0.02 -0.60 0.26 0.00 0.00 0.00 0.00 19.45 19.13 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 0.07 1.31 -1.44 0.00 -2.24 -1.26 -3.66 114.28 107.06 1xln n THR 47 Ca 0.05 -0.83 0.07 0.00 -2.27 0.00 0.00 64.05 61.07 1xln n THR 47 Cb 0.92 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.03 2.71 -3.94 0.00 -0.00 -1.24 -1.16 115.22 110.56 1xln n HIS 49 Ca 0.14 0.23 -0.09 0.00 -0.00 0.00 0.00 57.72 58.00 1xln n HIS 49 Cb 0.70 -2.59 -0.07 0.00 -0.00 0.00 0.00 29.99 28.02 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 0.30 0.09 -0.24 3.57 -7.23 -0.52 -4.38 120.40 111.99 1xln s VAL 50 Ca 0.68 -1.35 -0.03 0.00 -1.81 0.00 0.00 61.98 59.48 1xln s VAL 50 Cb -0.53 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 34.72 1xln s VAL 50 CO 0.44 -0.40 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.47 1xln s TYR 51 N -3.94 3.02 0.11 2.82 1.51 0.15 -1.04 117.35 119.97 1xln s TYR 51 Ca 0.14 -1.31 -0.30 0.00 -1.01 0.00 0.00 57.07 54.59 1xln s TYR 51 Cb 0.04 -2.08 -0.06 0.00 -0.11 0.00 0.00 41.96 39.75 1xln s TYR 51 CO -0.03 -0.66 1.01 0.08 -1.11 0.00 0.00 175.55 174.83 1xln s VAL 52 N 1.39 4.40 0.25 0.71 1.01 -0.34 -0.81 120.40 127.00 1xln s VAL 52 Ca 0.03 1.95 -0.30 0.00 0.00 0.00 0.00 61.98 63.65 1xln s VAL 52 Cb -0.16 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 31.84 1xln s VAL 52 CO -0.04 0.28 1.26 -3.20 0.00 0.00 0.00 175.10 173.40 1xln n ASN 53 N 2.92 2.20 -0.20 3.32 5.15 0.40 -4.70 115.26 124.35 1xln n ASN 53 Ca 0.03 1.16 0.23 0.00 -0.60 0.00 0.00 54.58 55.40 1xln n ASN 53 Cb 0.49 -1.37 0.60 0.00 -0.53 0.00 0.00 39.78 38.97 1xln n ASN 53 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1xln h GLU 54 N 3.35 0.22 0.00 1.20 4.57 -1.94 0.11 114.58 122.09 1xln h GLU 54 Ca -0.44 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1xln h GLU 54 Cb 1.30 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1xln h GLU 54 CO 0.70 0.15 0.00 0.00 -1.18 0.00 0.00 179.01 178.67 1xln n ALA 55 N -2.60 1.92 -0.00 2.92 0.00 -1.26 -3.36 120.51 118.13 1xln n ALA 55 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1xln n ALA 55 Cb 0.79 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.48 0.00 -0.25 0.00 3.01 0.32 -4.76 117.46 114.31 1xln n PHE 56 Ca 0.05 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.69 1xln n PHE 56 Cb 0.22 0.00 0.48 0.00 -0.01 0.00 0.00 39.48 40.17 1xln n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1xln h THR 57 N 0.00 0.71 0.00 4.37 1.35 -1.41 -0.28 112.91 117.66 1xln h THR 57 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1xln h THR 57 Cb 0.00 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.62 1xln h THR 57 CO 0.00 0.09 -0.71 -0.90 -0.25 0.00 0.00 175.52 173.75 1xln n ASP 58 N -4.53 0.65 0.13 5.36 3.85 -1.26 -3.87 116.55 116.88 1xln n ASP 58 Ca 0.19 -0.01 0.01 0.00 -0.71 0.00 0.00 54.79 54.27 1xln n ASP 58 Cb 0.64 0.33 0.03 0.00 -1.35 0.00 0.00 41.12 40.77 1xln n ASP 58 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1xln h LYS 59 N 0.00 0.00 -6.67 0.11 1.57 -1.35 -3.45 116.57 106.78 1xln h LYS 59 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1xln h LYS 59 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1xln h LYS 59 CO 0.00 0.58 0.31 0.08 -0.57 0.00 0.00 179.45 179.84 1xln s VAL 60 N -2.99 4.19 0.25 0.50 1.01 -0.98 -4.91 120.40 117.47 1xln s VAL 60 Ca 0.03 1.99 -0.31 0.00 0.00 0.00 0.00 61.98 63.69 1xln s VAL 60 Cb 0.08 -4.28 -0.13 0.00 0.00 0.00 0.00 36.38 32.06 1xln s VAL 60 CO 0.75 0.49 1.52 -2.65 0.00 0.00 0.00 175.10 175.21 1xln n PRO 61 N 1.66 2.34 -1.60 2.72 -0.02 -1.26 -4.86 135.00 133.99 1xln n PRO 61 Ca -0.02 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1xln n PRO 61 Cb 0.48 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1xln n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xln n ALA 62 N 2.31 -0.00 -1.78 3.55 0.00 -1.26 -4.94 120.51 118.39 1xln n ALA 62 Ca 0.11 0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 1xln n ALA 62 Cb 0.33 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 1xln n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xln s ALA 63 N -1.23 2.87 0.58 0.00 0.00 -1.26 -5.05 121.76 117.66 1xln s ALA 63 Ca 0.62 0.75 0.07 0.00 0.00 0.00 0.00 51.96 53.40 1xln s ALA 63 Cb -0.60 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.29 1xln s ALA 63 CO 0.58 -0.51 0.79 0.54 0.00 0.00 0.00 175.76 177.17 1xln s ASN 64 N -1.74 5.06 0.24 0.00 2.20 -1.26 -4.90 114.94 114.53 1xln s ASN 64 Ca 0.67 -0.67 -0.05 0.00 -0.94 0.00 0.00 52.86 51.87 1xln s ASN 64 Cb -0.22 0.06 0.44 0.00 -2.00 0.00 0.00 41.25 39.53 1xln s ASN 64 CO 0.26 -1.34 1.72 -0.08 -2.94 0.00 0.00 177.10 174.72 1xln h GLU 65 N 0.12 0.39 -0.13 3.55 4.57 -1.99 -2.00 114.58 119.09 1xln h GLU 65 Ca -0.33 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 57.87 1xln h GLU 65 Cb 1.28 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.73 1xln h GLU 65 CO 0.42 0.26 -0.24 -0.09 -1.18 0.00 0.00 179.01 178.17 1xln h ARG 66 N 0.40 -0.29 0.25 1.92 9.65 -1.98 0.80 114.38 125.13 1xln h ARG 66 Ca 0.40 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.29 1xln h ARG 66 Cb 0.61 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1xln h ARG 66 CO -0.41 -0.20 -0.15 1.49 2.80 0.00 0.00 179.97 183.50 1xln h GLU 67 N -0.31 -0.37 -0.74 0.20 4.81 -1.77 -1.89 114.58 114.51 1xln h GLU 67 Ca 0.10 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.48 1xln h GLU 67 Cb 0.45 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 1xln h GLU 67 CO -0.30 -0.25 0.33 0.82 -0.73 0.00 0.00 179.01 178.88 1xln h ILE 68 N -0.39 0.73 -0.44 2.32 1.08 -1.06 -0.37 117.51 119.38 1xln h ILE 68 Ca -0.03 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1xln h ILE 68 Cb 0.32 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1xln h ILE 68 CO 0.03 0.09 0.24 1.23 -0.69 0.00 0.00 178.15 179.05 1xln h GLY 69 N 0.51 0.66 1.04 5.37 0.00 -0.57 -2.82 103.07 107.26 1xln h GLY 69 Ca 0.39 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 1xln h GLY 69 CO -0.35 0.29 0.23 -0.33 0.00 0.00 0.00 176.54 176.38 1xln h MET 70 N 0.58 1.08 -0.00 4.80 2.86 -0.49 -2.69 114.93 121.07 1xln h MET 70 Ca 0.16 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1xln h MET 70 Cb 0.06 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 1xln h MET 70 CO -0.02 0.93 0.01 -0.07 1.06 0.00 0.00 176.91 178.81 1xln h LEU 71 N 1.03 0.00 -0.76 1.22 3.38 -0.85 -0.37 115.31 118.95 1xln h LEU 71 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1xln h LEU 71 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xln h LEU 71 CO -0.01 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.90 1xln n GLU 72 N -3.25 0.11 -0.24 1.13 -0.58 -1.01 -1.83 120.64 114.96 1xln n GLU 72 Ca -0.03 0.51 0.08 0.00 -0.42 0.00 0.00 57.16 57.30 1xln n GLU 72 Cb 0.08 -1.78 0.21 0.00 -0.57 0.00 0.00 31.44 29.38 1xln n GLU 72 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xln n SER 73 N -2.00 3.29 -4.73 1.62 3.41 -0.15 -5.01 113.62 110.06 1xln n SER 73 Ca 0.00 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.20 1xln n SER 73 Cb 0.09 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.71 1xln n SER 73 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xln n VAL 74 N 0.94 1.51 0.06 -3.33 0.24 -0.76 -4.90 118.33 112.09 1xln n VAL 74 Ca 0.16 -0.38 -0.07 0.00 -2.04 0.00 0.00 64.34 62.02 1xln n VAL 74 Cb 0.50 -1.79 -0.11 0.00 -1.47 0.00 0.00 33.84 30.96 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 3.00 1.70 -3.03 3.34 1.35 -1.85 -3.45 112.91 113.97 1xln h THR 75 Ca -0.47 -3.39 -0.46 0.00 -0.55 0.00 0.00 66.41 61.53 1xln h THR 75 Cb 1.25 2.83 0.12 0.00 -1.73 0.00 0.00 68.15 70.62 1xln h THR 75 CO 0.71 0.97 0.25 0.00 -0.25 0.00 0.00 175.52 177.19 1xln s ALA 76 N -2.73 3.06 0.27 6.62 0.00 -1.26 -4.99 121.76 122.74 1xln s ALA 76 Ca 0.01 -1.46 -0.31 0.00 0.00 0.00 0.00 51.96 50.21 1xln s ALA 76 Cb 0.10 -2.36 -0.12 0.00 0.00 0.00 0.00 23.12 20.74 1xln s ALA 76 CO 0.82 -1.85 1.56 -1.91 0.00 0.00 0.00 175.76 174.38 1xln n GLU 77 N -3.22 2.53 -3.07 0.00 2.13 -1.26 -4.96 120.64 112.79 1xln n GLU 77 Ca 0.15 0.90 -0.41 0.00 0.66 0.00 0.00 57.16 58.46 1xln n GLU 77 Cb 0.60 -2.66 -0.06 0.00 0.27 0.00 0.00 31.44 29.59 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 -0.19 4.07 0.34 4.31 2.96 -1.26 -5.03 118.68 123.88 1xln s LEU 78 Ca 0.66 0.75 0.09 0.00 -0.22 0.00 0.00 54.13 55.41 1xln s LEU 78 Cb -0.54 -2.91 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 1xln s LEU 78 CO 0.47 -0.40 0.02 -0.54 -1.32 0.00 0.00 176.35 174.59 1xln s LYS 79 N 2.57 2.10 0.52 1.98 1.02 -1.26 -5.01 119.74 121.66 1xln s LYS 79 Ca 0.28 -1.74 0.23 0.00 0.02 0.00 0.00 55.97 54.75 1xln s LYS 79 Cb -0.15 -1.94 1.36 0.00 -0.52 0.00 0.00 37.83 36.57 1xln s LYS 79 CO 0.08 0.13 2.02 -1.35 -0.92 0.00 0.00 175.35 175.31 1xln h PRO 80 N 1.78 0.02 -0.64 -1.68 0.11 -2.02 -0.76 132.00 128.82 1xln h PRO 80 Ca -0.43 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 1xln h PRO 80 Cb 1.25 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 1xln h PRO 80 CO 0.67 0.01 0.13 0.27 -0.21 0.00 0.00 178.00 178.87 1xln n ASN 81 N -4.41 5.16 -4.75 -2.05 6.94 -1.26 -4.97 115.26 109.92 1xln n ASN 81 Ca 0.07 -3.10 -0.41 0.00 -0.02 0.00 0.00 54.58 51.13 1xln n ASN 81 Cb 0.50 -0.71 -0.04 0.00 -2.36 0.00 0.00 39.78 37.18 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 -1.01 7.20 0.06 0.53 0.01 -0.29 -1.20 113.70 119.00 1xln s SER 82 Ca 0.54 2.21 -0.09 0.00 1.31 0.00 0.00 55.95 59.92 1xln s SER 82 Cb 0.43 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1xln s SER 82 CO 0.14 -0.24 0.20 -0.13 0.41 0.00 0.00 173.24 173.62 1xln s ARG 83 N -0.77 0.77 -0.45 12.44 1.81 -0.21 -4.94 118.95 127.59 1xln s ARG 83 Ca 0.48 -0.76 -0.23 0.00 -1.72 0.00 0.00 55.73 53.50 1xln s ARG 83 Cb -0.32 0.32 0.03 0.00 -0.45 0.00 0.00 34.95 34.53 1xln s ARG 83 CO 0.38 -0.23 0.77 -0.51 -0.68 0.00 0.00 175.30 175.02 1xln s LEU 84 N -2.42 4.30 0.56 2.53 1.43 -1.26 -1.45 118.68 122.38 1xln s LEU 84 Ca -0.01 -0.17 0.29 0.00 -1.03 0.00 0.00 54.13 53.21 1xln s LEU 84 Cb 0.02 -2.91 1.47 0.00 0.03 0.00 0.00 46.19 44.79 1xln s LEU 84 CO -0.07 -0.91 1.92 0.77 0.23 0.00 0.00 176.35 178.30 1xln h SER 85 N 8.98 0.00 0.55 2.29 4.64 -1.48 0.58 113.55 129.11 1xln h SER 85 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1xln h SER 85 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1xln h SER 85 CO 0.96 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.92 1xln n GLN 87 N -1.62 2.21 -3.57 0.00 1.13 0.20 -4.81 117.38 110.92 1xln n GLN 87 Ca 0.03 -1.80 -0.41 0.00 -1.94 0.00 0.00 57.00 52.89 1xln n GLN 87 Cb 0.18 -1.46 -0.11 0.00 0.11 0.00 0.00 30.24 28.96 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 -2.02 4.79 -0.17 5.09 1.01 -0.86 -5.01 121.20 124.03 1xln s ILE 88 Ca 0.28 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 60.06 1xln s ILE 88 Cb 0.20 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1xln s ILE 88 CO 0.32 -0.19 0.47 -0.63 0.00 0.00 0.00 174.94 174.91 1xln s ILE 89 N 1.61 5.16 0.27 2.92 -1.09 -1.26 -1.52 121.20 127.29 1xln s ILE 89 Ca 0.03 0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 59.05 1xln s ILE 89 Cb -0.19 -3.80 -0.10 0.00 -1.58 0.00 0.00 42.46 36.79 1xln s ILE 89 CO 0.08 0.26 1.44 -0.32 -1.23 0.00 0.00 174.94 175.16 1xln s MET 90 N 1.13 4.26 0.19 2.79 -2.45 -0.10 -4.83 119.30 120.29 1xln s MET 90 Ca 0.24 2.32 -0.12 0.00 -1.25 0.00 0.00 55.69 56.88 1xln s MET 90 Cb -0.15 -3.09 0.00 0.00 1.25 0.00 0.00 34.83 32.84 1xln s MET 90 CO 0.09 -0.41 0.39 0.95 1.05 0.00 0.00 175.02 177.09 1xln s THR 91 N -0.19 0.04 0.37 10.11 -4.23 -1.26 -0.48 115.64 120.01 1xln s THR 91 Ca 0.58 -1.21 0.10 0.00 -1.18 0.00 0.00 61.69 59.98 1xln s THR 91 Cb -0.42 -1.82 0.32 0.00 1.34 0.00 0.00 72.50 71.92 1xln s THR 91 CO 0.46 -0.19 1.90 -0.65 -0.54 0.00 0.00 174.62 175.59 1xln h PRO 92 N 2.39 0.62 0.00 3.99 0.11 -1.99 -0.29 132.00 136.83 1xln h PRO 92 Ca -0.30 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1xln h PRO 92 Cb 1.24 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xln h PRO 92 CO 0.43 0.41 -0.02 1.49 -0.21 0.00 0.00 178.00 180.09 1xln h GLU 93 N 0.64 0.00 -0.71 1.05 4.57 -1.97 -1.19 114.58 116.96 1xln h GLU 93 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 1xln h GLU 93 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1xln h GLU 93 CO -0.16 0.02 0.00 1.28 -1.18 0.00 0.00 179.01 178.97 1xln n LEU 94 N -3.91 4.17 -4.67 1.64 4.77 -0.13 -4.96 117.00 113.91 1xln n LEU 94 Ca -0.03 -2.09 -0.43 0.00 -0.03 0.00 0.00 56.01 53.43 1xln n LEU 94 Cb 0.11 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1xln n LEU 94 CO 0.29 0.92 1.54 -0.67 -1.33 0.00 0.00 177.39 178.15 1xln n ASP 95 N 1.49 4.07 0.00 -1.43 4.64 -0.45 -0.97 116.55 123.90 1xln n ASP 95 Ca 0.25 0.94 0.00 0.00 -1.38 0.00 0.00 54.79 54.60 1xln n ASP 95 Cb 0.70 -1.52 0.00 0.00 -1.04 0.00 0.00 41.12 39.26 1xln n ASP 95 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xln n GLY 96 N 4.41 0.74 3.71 0.27 0.00 0.35 -4.86 105.19 109.81 1xln n GLY 96 Ca 0.19 0.00 -0.43 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 -2.13 0.97 -4.60 -0.61 3.06 -0.14 -4.69 119.36 111.21 1xln n ILE 97 Ca 0.00 -0.24 -0.33 0.00 -2.50 0.00 0.00 62.75 59.67 1xln n ILE 97 Cb 0.00 -1.77 -0.13 0.00 0.54 0.00 0.00 39.64 38.28 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 0.00 3.48 -0.07 9.51 1.01 -1.26 -0.55 120.40 132.51 1xln s VAL 98 Ca 0.66 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1xln s VAL 98 Cb -0.56 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1xln s VAL 98 CO 0.49 0.52 -0.09 0.68 0.00 0.00 0.00 175.10 176.70 1xln s VAL 99 N 0.23 0.92 -0.11 2.92 -7.23 -0.19 -0.46 120.40 116.48 1xln s VAL 99 Ca -0.06 -0.32 -0.17 0.00 -1.81 0.00 0.00 61.98 59.62 1xln s VAL 99 Cb -0.15 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1xln s VAL 99 CO 0.04 0.32 0.45 -1.81 -0.31 0.00 0.00 175.10 173.79 1xln s ASP 100 N 0.95 6.67 -0.15 4.85 1.01 0.01 -0.85 116.67 129.16 1xln s ASP 100 Ca -0.10 0.80 -0.13 0.00 0.71 0.00 0.00 52.55 53.83 1xln s ASP 100 Cb -0.15 -2.27 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 1xln s ASP 100 CO 0.00 0.05 0.26 -0.69 0.21 0.00 0.00 175.17 175.00 1xln s VAL 101 N 0.42 5.32 1.03 -1.27 1.01 -0.18 -0.67 120.40 126.06 1xln s VAL 101 Ca 0.25 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 1xln s VAL 101 Cb -0.15 -3.59 0.21 0.00 0.00 0.00 0.00 36.38 32.85 1xln s VAL 101 CO 0.10 0.44 1.07 -2.16 0.00 0.00 0.00 175.10 174.55 1xln s PRO 102 N 0.15 0.14 0.00 2.72 0.04 -1.26 -3.01 135.00 133.78 1xln s PRO 102 Ca 0.16 0.94 0.27 0.00 0.04 0.00 0.00 61.00 62.40 1xln s PRO 102 Cb -0.13 -1.67 1.21 0.00 0.04 0.00 0.00 34.50 33.95 1xln s PRO 102 CO 0.04 -3.04 1.88 -0.40 0.04 0.00 0.00 177.00 175.52 1xln n ASP 103 N -4.45 0.00 -3.69 6.66 5.75 -1.26 -4.65 116.55 114.91 1xln n ASP 103 Ca 0.06 0.31 -0.15 0.00 -0.01 0.00 0.00 54.79 55.00 1xln n ASP 103 Cb 0.54 -0.43 -0.08 0.00 -1.03 0.00 0.00 41.12 40.12 1xln n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xln s ARG 104 N -2.87 0.78 -0.02 0.11 1.70 -1.26 -5.03 118.95 112.37 1xln s ARG 104 Ca 0.17 -0.01 0.02 0.00 -0.47 0.00 0.00 55.73 55.44 1xln s ARG 104 Cb 0.18 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.89 1xln s ARG 104 CO 0.46 -0.22 0.01 1.04 -1.08 0.00 0.00 175.30 175.51 1xln n GLN 105 N 1.26 3.38 0.00 3.89 1.13 -1.26 -4.21 117.38 121.56 1xln n GLN 105 Ca -0.20 -0.00 0.12 0.00 -1.94 0.00 0.00 57.00 54.97 1xln n GLN 105 Cb 0.56 -1.04 0.10 0.00 0.11 0.00 0.00 30.24 29.97 1xln n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53