#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xlo s LYS 2 N 0.00 4.55 -0.02 1.43 -0.14 -1.26 0.11 119.74 124.42 1xlo s LYS 2 Ca 0.00 1.15 0.01 0.00 -1.36 0.00 0.00 55.97 55.77 1xlo s LYS 2 Cb 0.00 -3.31 0.01 0.00 -1.68 0.00 0.00 37.83 32.85 1xlo s LYS 2 CO 0.00 0.42 -0.03 0.08 -0.76 0.00 0.00 175.35 175.07 1xlo s VAL 3 N -0.61 0.30 -0.14 3.17 1.01 -0.39 0.21 120.40 123.95 1xlo s VAL 3 Ca 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1xlo s VAL 3 Cb -0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1xlo s VAL 3 CO 0.25 0.13 -0.15 -0.69 0.00 0.00 0.00 175.10 174.63 1xlo s VAL 4 N 0.41 2.72 -0.25 2.92 1.01 0.01 -0.78 120.40 126.44 1xlo s VAL 4 Ca -0.04 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1xlo s VAL 4 Cb -0.07 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1xlo s VAL 4 CO -0.01 0.52 0.04 -0.31 0.00 0.00 0.00 175.10 175.34 1xlo s TYR 5 N 0.63 3.06 -0.27 5.22 1.51 0.74 -1.44 117.35 126.80 1xlo s TYR 5 Ca -0.08 -0.71 -0.07 0.00 -1.01 0.00 0.00 57.07 55.19 1xlo s TYR 5 Cb -0.16 -2.20 -0.01 0.00 -0.11 0.00 0.00 41.96 39.48 1xlo s TYR 5 CO 0.03 -0.47 0.08 0.08 -1.11 0.00 0.00 175.55 174.16 1xlo s VAL 6 N 1.55 4.23 1.03 0.71 1.01 -0.20 -1.13 120.40 127.60 1xlo s VAL 6 Ca 0.05 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1xlo s VAL 6 Cb -0.15 -3.06 0.22 0.00 0.00 0.00 0.00 36.38 33.38 1xlo s VAL 6 CO 0.01 0.23 1.23 -0.94 0.00 0.00 0.00 175.10 175.63 1xlo s SER 7 N 1.58 2.51 0.12 3.32 1.04 0.01 -0.84 113.70 121.45 1xlo s SER 7 Ca 0.05 0.48 -0.24 0.00 0.48 0.00 0.00 55.95 56.72 1xlo s SER 7 Cb -0.16 -0.66 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 1xlo s SER 7 CO 0.03 -3.13 1.65 -0.74 0.98 0.00 0.00 173.24 172.04 1xlo h HIS 8 N -1.91 -0.52 0.00 5.02 2.76 -1.83 -1.53 115.15 117.14 1xlo h HIS 8 Ca -0.45 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1xlo h HIS 8 Cb 1.27 0.24 0.00 0.00 1.55 0.00 0.00 27.41 30.47 1xlo h HIS 8 CO -1.25 -0.28 0.00 -0.40 -1.30 0.00 0.00 177.93 174.70 1xlo n ASP 9 N -5.33 0.00 0.00 3.26 3.85 -1.26 -4.83 116.55 112.24 1xlo n ASP 9 Ca -0.04 -1.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.03 1xlo n ASP 9 Cb 0.25 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 1xlo n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xlo n GLY 10 N 0.14 1.05 3.75 6.12 0.00 -0.58 -5.03 105.19 110.64 1xlo n GLY 10 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1xlo n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xlo s THR 11 N -2.86 2.36 -0.12 2.61 2.01 -1.26 -4.68 115.64 113.70 1xlo s THR 11 Ca 0.00 0.31 -0.00 0.00 0.31 0.00 0.00 61.69 62.31 1xlo s THR 11 Cb 0.00 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 1xlo s THR 11 CO 0.00 0.06 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.74 1xlo s ARG 12 N -0.76 3.25 -0.09 4.92 0.52 -1.26 -0.81 118.95 124.72 1xlo s ARG 12 Ca 0.59 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 1xlo s ARG 12 Cb -0.45 -2.64 0.02 0.00 0.52 0.00 0.00 34.95 32.40 1xlo s ARG 12 CO 0.48 0.32 -0.12 1.03 0.02 0.00 0.00 175.30 177.03 1xlo s ARG 13 N 0.09 1.84 -0.14 3.54 0.52 -0.28 -4.99 118.95 119.53 1xlo s ARG 13 Ca -0.05 -0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 54.70 1xlo s ARG 13 Cb -0.14 -1.62 -0.03 0.00 0.52 0.00 0.00 34.95 33.67 1xlo s ARG 13 CO 0.04 -0.08 -0.02 -2.00 0.02 0.00 0.00 175.30 173.26 1xlo s GLU 14 N 1.04 3.57 0.15 3.54 2.12 -1.26 -0.19 118.70 127.67 1xlo s GLU 14 Ca -0.07 -0.48 0.08 0.00 0.36 0.00 0.00 54.97 54.86 1xlo s GLU 14 Cb -0.15 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1xlo s GLU 14 CO -0.01 0.34 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.37 1xlo s LEU 15 N 0.11 2.43 -0.38 2.70 1.43 0.04 -4.98 118.68 120.02 1xlo s LEU 15 Ca 0.00 -0.85 -0.13 0.00 -1.03 0.00 0.00 54.13 52.13 1xlo s LEU 15 Cb -0.13 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.36 1xlo s LEU 15 CO 0.02 -0.07 0.25 -0.62 0.23 0.00 0.00 176.35 176.16 1xlo s ASP 16 N -2.60 5.90 -0.16 2.29 2.15 -1.26 -1.26 116.67 121.74 1xlo s ASP 16 Ca 0.14 -0.90 -0.04 0.00 0.43 0.00 0.00 52.55 52.18 1xlo s ASP 16 Cb -0.05 -2.09 -0.03 0.00 -0.30 0.00 0.00 42.92 40.45 1xlo s ASP 16 CO 0.05 -0.40 -0.03 -0.69 -0.17 0.00 0.00 175.17 173.94 1xlo s VAL 17 N 1.62 3.96 0.74 1.11 1.01 0.31 -4.75 120.40 124.40 1xlo s VAL 17 Ca 0.04 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1xlo s VAL 17 Cb -0.19 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.49 1xlo s VAL 17 CO 0.08 0.49 1.08 0.00 0.00 0.00 0.00 175.10 176.75 1xlo s ALA 18 N 0.38 2.50 0.39 5.51 0.00 -1.26 -0.09 121.76 129.19 1xlo s ALA 18 Ca -0.03 -0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.60 1xlo s ALA 18 Cb -0.14 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 1xlo s ALA 18 CO 0.03 -1.44 1.39 -0.51 0.00 0.00 0.00 175.76 175.23 1xlo s ASP 19 N -3.86 6.34 0.00 0.00 1.01 -1.26 -2.77 116.67 116.13 1xlo s ASP 19 Ca 0.59 2.86 0.00 0.00 0.71 0.00 0.00 52.55 56.71 1xlo s ASP 19 Cb -0.14 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.13 1xlo s ASP 19 CO 0.55 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.68 1xlo n GLY 20 N 0.60 1.80 3.81 0.21 0.00 -0.18 -4.99 105.19 106.46 1xlo n GLY 20 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1xlo n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xlo s VAL 21 N -2.89 5.02 0.51 1.61 1.01 -1.11 -4.79 120.40 119.76 1xlo s VAL 21 Ca 0.00 0.89 -0.14 0.00 0.00 0.00 0.00 61.98 62.73 1xlo s VAL 21 Cb 0.00 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1xlo s VAL 21 CO 0.00 0.54 0.95 -0.94 0.00 0.00 0.00 175.10 175.64 1xlo s SER 22 N -0.80 6.55 0.56 3.32 1.04 -1.26 -1.02 113.70 122.08 1xlo s SER 22 Ca 0.24 1.46 0.31 0.00 0.48 0.00 0.00 55.95 58.44 1xlo s SER 22 Cb -0.17 -2.46 1.64 0.00 0.10 0.00 0.00 66.02 65.13 1xlo s SER 22 CO 0.13 -0.59 2.13 -0.07 0.98 0.00 0.00 173.24 175.83 1xlo h LEU 23 N 0.81 0.00 -0.02 2.42 4.07 -1.06 -1.67 115.31 119.85 1xlo h LEU 23 Ca -0.46 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.46 1xlo h LEU 23 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1xlo h LEU 23 CO 0.62 0.07 -0.13 -0.03 -1.08 0.00 0.00 178.44 177.89 1xlo h MET 24 N 0.00 0.12 -0.47 1.13 4.05 -1.77 -2.37 114.93 115.62 1xlo h MET 24 Ca -0.00 -0.10 0.06 0.00 -0.28 0.00 0.00 59.70 59.37 1xlo h MET 24 Cb 0.26 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.03 1xlo h MET 24 CO 0.01 0.79 0.18 1.96 0.23 0.00 0.00 176.91 180.08 1xlo h GLN 25 N -0.51 0.35 -0.69 0.39 4.20 -1.73 -1.25 115.11 115.86 1xlo h GLN 25 Ca -0.01 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1xlo h GLN 25 Cb 0.82 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1xlo h GLN 25 CO 0.03 0.23 0.24 0.00 -0.67 0.00 0.00 178.83 178.66 1xlo h ALA 26 N 1.31 1.13 0.34 3.87 0.00 -1.39 -2.15 119.26 122.37 1xlo h ALA 26 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xlo h ALA 26 Cb 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xlo h ALA 26 CO -0.22 0.61 -0.16 0.00 0.00 0.00 0.00 179.25 179.48 1xlo h ALA 27 N 1.25 -0.46 0.00 0.00 0.00 -0.85 -2.88 119.26 116.33 1xlo h ALA 27 Ca 0.23 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xlo h ALA 27 Cb 0.24 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xlo h ALA 27 CO -0.01 -0.59 -0.13 -0.39 0.00 0.00 0.00 179.25 178.13 1xlo h VAL 28 N -0.81 0.71 -0.01 0.00 -1.51 -1.27 -1.34 116.25 112.04 1xlo h VAL 28 Ca -0.05 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1xlo h VAL 28 Cb 0.52 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1xlo h VAL 28 CO 0.08 0.13 -0.10 -1.54 -1.23 0.00 0.00 177.57 174.90 1xlo n SER 29 N -3.83 0.79 -0.09 4.19 3.41 -0.81 -3.80 113.62 113.49 1xlo n SER 29 Ca -0.02 -0.93 0.06 0.00 -0.26 0.00 0.00 58.87 57.72 1xlo n SER 29 Cb 0.23 -0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.26 1xlo n SER 29 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xlo n ASN 30 N -0.61 1.95 -0.00 4.04 3.02 -0.63 -5.00 115.26 118.02 1xlo n ASN 30 Ca 0.16 -2.60 -0.00 0.00 -0.03 0.00 0.00 54.58 52.11 1xlo n ASN 30 Cb 0.29 -0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1xlo n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xlo n GLY 31 N -0.99 0.46 3.43 7.41 0.00 -1.09 -4.94 105.19 109.47 1xlo n GLY 31 Ca 0.09 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1xlo n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xlo n ILE 32 N -2.91 3.95 0.71 -0.61 5.41 -0.60 -4.79 119.36 120.52 1xlo n ILE 32 Ca -0.00 -4.09 0.05 0.00 1.00 0.00 0.00 62.75 59.71 1xlo n ILE 32 Cb 0.04 -2.40 0.28 0.00 -0.71 0.00 0.00 39.64 36.85 1xlo n ILE 32 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1xlo n TYR 33 N 7.51 0.00 0.20 1.39 4.01 -1.26 -2.29 117.16 126.71 1xlo n TYR 33 Ca 0.47 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 58.28 1xlo n TYR 33 Cb 0.44 0.00 0.35 0.00 -0.31 0.00 0.00 39.34 39.83 1xlo n TYR 33 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1xlo h ASP 34 N 0.00 0.00 -3.47 7.72 3.32 -1.96 -3.41 116.42 118.62 1xlo h ASP 34 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1xlo h ASP 34 Cb 0.00 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.36 1xlo h ASP 34 CO 0.00 0.32 -0.59 -0.63 -1.72 0.00 0.00 179.24 176.63 1xlo s ILE 35 N -3.56 4.61 -0.13 0.35 1.01 -0.97 -4.73 121.20 117.78 1xlo s ILE 35 Ca 0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 1xlo s ILE 35 Cb 0.10 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 1xlo s ILE 35 CO 0.67 0.40 -0.20 0.52 0.00 0.00 0.00 174.94 176.33 1xlo n VAL 36 N 4.15 1.26 -2.70 2.92 0.31 -0.21 -4.62 118.33 119.43 1xlo n VAL 36 Ca -0.16 0.23 -0.06 0.00 -0.01 0.00 0.00 64.34 64.34 1xlo n VAL 36 Cb 0.52 -2.27 0.02 0.00 -0.91 0.00 0.00 33.84 31.20 1xlo n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xlo n GLY 37 N 1.58 0.49 0.35 2.92 0.00 -1.10 -4.95 105.19 104.48 1xlo n GLY 37 Ca -0.08 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.62 1xlo n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xlo h ASP 38 N -0.67 0.82 0.67 1.61 3.58 -1.95 -1.46 116.42 119.02 1xlo h ASP 38 Ca -0.15 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1xlo h ASP 38 Cb 1.10 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1xlo h ASP 38 CO 0.14 0.38 -0.12 0.00 -2.88 0.00 0.00 179.24 176.76 1xlo n GLY 40 N 1.41 0.78 0.18 0.00 0.00 -0.55 -4.34 105.19 102.66 1xlo n GLY 40 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1xlo n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xlo n GLY 41 N -2.29 0.94 1.52 -0.02 0.00 -1.26 -4.99 105.19 99.10 1xlo n GLY 41 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 1xlo n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xlo n SER 42 N 0.17 3.88 -3.79 1.61 3.41 -1.26 -4.89 113.62 112.75 1xlo n SER 42 Ca 0.00 -3.35 -0.27 0.00 -0.26 0.00 0.00 58.87 54.99 1xlo n SER 42 Cb 0.00 -0.68 0.02 0.00 -0.26 0.00 0.00 64.21 63.29 1xlo n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xlo n ALA 43 N -0.59 -2.22 -1.91 7.33 0.00 -1.26 -4.92 120.51 116.93 1xlo n ALA 43 Ca 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1xlo n ALA 43 Cb 1.20 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1xlo n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xlo n SER 44 N -2.89 0.01 0.00 0.00 3.41 -1.26 -4.76 113.62 108.13 1xlo n SER 44 Ca -0.23 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1xlo n SER 44 Cb 0.65 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1xlo n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xlo n ALA 46 N -0.42 -0.08 0.29 0.00 0.00 -1.26 -4.85 120.51 114.18 1xlo n ALA 46 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.56 1xlo n ALA 46 Cb 0.03 -1.29 0.17 0.00 0.00 0.00 0.00 19.45 18.36 1xlo n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xlo n THR 47 N -2.37 1.09 -0.97 0.00 -2.24 -1.26 -3.29 114.28 105.23 1xlo n THR 47 Ca -0.05 -0.58 0.06 0.00 -2.27 0.00 0.00 64.05 61.21 1xlo n THR 47 Cb 0.41 -0.33 0.09 0.00 -2.10 0.00 0.00 70.33 68.41 1xlo n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xlo n HIS 49 N -1.00 1.70 -3.77 0.00 -0.00 -1.21 -1.74 115.22 109.20 1xlo n HIS 49 Ca 0.10 0.58 -0.11 0.00 -0.00 0.00 0.00 57.72 58.29 1xlo n HIS 49 Cb 0.56 -2.35 -0.07 0.00 -0.00 0.00 0.00 29.99 28.13 1xlo n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1xlo s VAL 50 N -0.39 0.10 -0.39 3.57 -7.23 -0.16 -4.28 120.40 111.63 1xlo s VAL 50 Ca 0.67 -0.80 -0.11 0.00 -1.81 0.00 0.00 61.98 59.93 1xlo s VAL 50 Cb -0.72 -1.06 0.04 0.00 0.56 0.00 0.00 36.38 35.20 1xlo s VAL 50 CO 0.54 -0.44 0.22 -0.31 -0.31 0.00 0.00 175.10 174.80 1xlo s TYR 51 N -3.04 3.26 0.31 2.82 1.51 0.28 -0.78 117.35 121.72 1xlo s TYR 51 Ca -0.02 -1.11 -0.29 0.00 -1.01 0.00 0.00 57.07 54.65 1xlo s TYR 51 Cb 0.01 -2.58 -0.10 0.00 -0.11 0.00 0.00 41.96 39.18 1xlo s TYR 51 CO -0.06 -0.71 1.30 0.08 -1.11 0.00 0.00 175.55 175.05 1xlo s VAL 52 N 1.52 2.80 0.43 0.71 1.01 -0.42 -1.24 120.40 125.21 1xlo s VAL 52 Ca 0.02 0.78 -0.25 0.00 0.00 0.00 0.00 61.98 62.54 1xlo s VAL 52 Cb -0.20 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 1xlo s VAL 52 CO 0.06 0.18 1.25 0.21 0.00 0.00 0.00 175.10 176.79 1xlo s ASN 53 N -0.40 6.23 0.63 3.32 2.47 -0.14 -4.77 114.94 122.29 1xlo s ASN 53 Ca 0.50 2.52 0.35 0.00 0.42 0.00 0.00 52.86 56.65 1xlo s ASN 53 Cb -0.39 -2.63 1.98 0.00 -1.45 0.00 0.00 41.25 38.76 1xlo s ASN 53 CO 0.50 -0.89 2.20 -0.33 -3.72 0.00 0.00 177.10 174.86 1xlo h GLU 54 N 2.43 0.00 0.00 0.43 5.08 -1.93 -0.13 114.58 120.46 1xlo h GLU 54 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1xlo h GLU 54 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1xlo h GLU 54 CO 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.63 1xlo n ALA 55 N -2.16 2.62 0.00 3.43 0.00 -1.26 -3.73 120.51 119.41 1xlo n ALA 55 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xlo n ALA 55 Cb 0.20 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1xlo n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xlo n PHE 56 N -1.09 0.00 0.28 0.00 3.01 -0.16 -4.64 117.46 114.87 1xlo n PHE 56 Ca 0.21 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.86 1xlo n PHE 56 Cb 0.15 0.00 1.01 0.00 -0.01 0.00 0.00 39.48 40.64 1xlo n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xlo h THR 57 N 0.00 0.00 0.13 4.37 1.03 -1.39 -0.44 112.91 116.62 1xlo h THR 57 Ca 0.00 -0.01 -0.36 0.00 -0.01 0.00 0.00 66.41 66.03 1xlo h THR 57 Cb 0.00 0.85 -0.01 0.00 -1.07 0.00 0.00 68.15 67.92 1xlo h THR 57 CO 0.00 0.00 -1.95 -0.78 -0.01 0.00 0.00 175.52 172.78 1xlo h ASP 58 N 0.00 0.44 0.03 0.00 -0.00 -1.84 -3.41 116.42 111.64 1xlo h ASP 58 Ca 0.00 -0.95 -0.00 0.00 -0.00 0.00 0.00 57.03 56.08 1xlo h ASP 58 Cb 0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.20 1xlo h ASP 58 CO 0.00 1.85 -0.02 0.11 -0.00 0.00 0.00 179.24 181.18 1xlo h LYS 59 N 0.06 -0.04 -6.29 0.28 1.57 -1.39 -3.46 116.57 107.30 1xlo h LYS 59 Ca -0.41 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.77 1xlo h LYS 59 Cb 2.04 0.01 0.16 0.00 0.08 0.00 0.00 32.23 34.51 1xlo h LYS 59 CO 0.10 -0.03 -0.54 1.33 -0.57 0.00 0.00 179.45 179.74 1xlo n VAL 60 N -2.13 1.55 -1.76 0.50 0.24 -0.56 -4.87 118.33 111.30 1xlo n VAL 60 Ca -0.01 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.38 1xlo n VAL 60 Cb 0.02 -0.45 -0.01 0.00 -1.47 0.00 0.00 33.84 31.92 1xlo n VAL 60 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1xlo n PRO 61 N 0.64 2.73 -1.68 7.34 -0.02 -1.26 -4.94 135.00 137.81 1xlo n PRO 61 Ca 0.11 0.97 -0.37 0.00 -2.02 0.00 0.00 63.50 62.18 1xlo n PRO 61 Cb 0.42 -2.74 0.06 0.00 -0.02 0.00 0.00 33.50 31.22 1xlo n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xlo n ALA 62 N 1.71 0.76 -1.77 3.55 0.00 -1.26 -4.92 120.51 118.58 1xlo n ALA 62 Ca 0.06 0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1xlo n ALA 62 Cb 0.37 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1xlo n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xlo s ALA 63 N -1.43 3.46 0.85 0.00 0.00 -1.26 -5.02 121.76 118.35 1xlo s ALA 63 Ca 0.79 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 54.17 1xlo s ALA 63 Cb -0.40 -3.60 0.14 0.00 0.00 0.00 0.00 23.12 19.26 1xlo s ALA 63 CO 0.43 -1.09 1.19 0.54 0.00 0.00 0.00 175.76 176.84 1xlo s ASN 64 N -0.28 3.91 0.11 0.00 4.22 -1.26 -4.86 114.94 116.77 1xlo s ASN 64 Ca 0.55 0.33 -0.18 0.00 -2.14 0.00 0.00 52.86 51.42 1xlo s ASN 64 Cb -0.45 -0.63 -0.05 0.00 1.28 0.00 0.00 41.25 41.40 1xlo s ASN 64 CO 0.60 -2.22 1.65 -0.08 -2.04 0.00 0.00 177.10 175.01 1xlo h GLU 65 N -1.17 0.42 -0.92 3.55 4.81 -1.99 -1.36 114.58 117.94 1xlo h GLU 65 Ca -0.44 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1xlo h GLU 65 Cb 1.27 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1xlo h GLU 65 CO 0.49 0.45 0.60 -0.09 -0.73 0.00 0.00 179.01 179.73 1xlo h ARG 66 N 0.31 1.15 -0.05 1.92 2.43 -1.96 -1.18 114.38 117.00 1xlo h ARG 66 Ca 0.09 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1xlo h ARG 66 Cb 0.19 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1xlo h ARG 66 CO -0.01 0.76 0.00 1.49 -1.51 0.00 0.00 179.97 180.71 1xlo h GLU 67 N 1.19 0.09 -0.80 0.20 4.81 -1.83 -1.49 114.58 116.74 1xlo h GLU 67 Ca 0.35 -0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.72 1xlo h GLU 67 Cb -0.05 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.21 1xlo h GLU 67 CO -0.10 0.36 0.34 0.82 -0.73 0.00 0.00 179.01 179.69 1xlo h ILE 68 N -0.19 0.62 -0.33 2.32 2.04 -0.86 0.19 117.51 121.30 1xlo h ILE 68 Ca 0.02 -0.16 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 1xlo h ILE 68 Cb 0.32 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1xlo h ILE 68 CO 0.00 0.08 -0.42 1.23 0.00 0.00 0.00 178.15 179.05 1xlo h GLY 69 N 0.46 0.90 2.00 5.37 0.00 -1.07 -3.17 103.07 107.56 1xlo h GLY 69 Ca 0.46 -0.93 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1xlo h GLY 69 CO -0.43 0.84 -0.17 1.98 0.00 0.00 0.00 176.54 178.76 1xlo h MET 70 N 0.67 0.00 0.00 4.80 1.85 -0.16 -3.23 114.93 118.85 1xlo h MET 70 Ca 0.05 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1xlo h MET 70 Cb 0.99 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.01 1xlo h MET 70 CO 0.09 0.17 -0.11 -0.07 -0.40 0.00 0.00 176.91 176.59 1xlo h LEU 71 N 0.00 0.00 -1.53 3.39 3.38 -0.64 -2.32 115.31 117.59 1xlo h LEU 71 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xlo h LEU 71 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1xlo h LEU 71 CO 0.02 0.11 0.00 -0.33 0.09 0.00 0.00 178.44 178.33 1xlo h GLU 72 N 0.00 0.00 -0.02 1.13 4.39 -1.68 -2.25 114.58 116.15 1xlo h GLU 72 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xlo h GLU 72 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1xlo h GLU 72 CO 0.01 0.00 -0.03 0.43 -1.16 0.00 0.00 179.01 178.26 1xlo n SER 73 N -2.53 1.53 -4.77 1.42 7.64 -0.87 -4.92 113.62 111.12 1xlo n SER 73 Ca -0.00 -1.46 -0.41 0.00 1.01 0.00 0.00 58.87 58.01 1xlo n SER 73 Cb 0.14 0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.34 1xlo n SER 73 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1xlo s VAL 74 N -2.06 2.34 -0.15 0.44 -7.23 -0.85 -4.90 120.40 107.99 1xlo s VAL 74 Ca 0.36 0.34 0.17 0.00 -1.81 0.00 0.00 61.98 61.03 1xlo s VAL 74 Cb 0.21 -3.21 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 1xlo s VAL 74 CO 0.35 0.08 1.12 0.71 -0.31 0.00 0.00 175.10 177.05 1xlo h THR 75 N 3.06 0.60 -4.51 5.32 1.35 -1.87 -3.47 112.91 113.40 1xlo h THR 75 Ca -0.50 -1.99 -0.47 0.00 -0.55 0.00 0.00 66.41 62.91 1xlo h THR 75 Cb 1.23 2.15 0.11 0.00 -1.73 0.00 0.00 68.15 69.92 1xlo h THR 75 CO 0.66 0.34 0.41 0.00 -0.25 0.00 0.00 175.52 176.69 1xlo s ALA 76 N -2.98 2.57 0.15 6.62 0.00 -1.26 -4.96 121.76 121.90 1xlo s ALA 76 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 1xlo s ALA 76 Cb 0.08 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 20.18 1xlo s ALA 76 CO 0.78 -1.83 1.66 -2.00 0.00 0.00 0.00 175.76 174.38 1xlo s GLU 77 N -5.64 4.18 -0.21 0.00 2.12 -1.26 -4.96 118.70 112.93 1xlo s GLU 77 Ca 0.64 2.45 -0.22 0.00 0.36 0.00 0.00 54.97 58.20 1xlo s GLU 77 Cb -0.10 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1xlo s GLU 77 CO 0.50 -0.70 0.70 -1.17 -0.54 0.00 0.00 175.26 174.04 1xlo s LEU 78 N 1.73 4.12 0.38 2.70 0.20 -1.26 -5.01 118.68 121.54 1xlo s LEU 78 Ca 0.74 0.91 0.08 0.00 0.69 0.00 0.00 54.13 56.55 1xlo s LEU 78 Cb -0.45 -3.00 -0.07 0.00 -0.43 0.00 0.00 46.19 42.25 1xlo s LEU 78 CO 0.32 -0.36 -0.02 -0.54 -0.29 0.00 0.00 176.35 175.47 1xlo s LYS 79 N 2.22 1.94 0.46 1.98 1.02 -1.26 -5.00 119.74 121.10 1xlo s LYS 79 Ca 0.31 -1.98 0.19 0.00 0.02 0.00 0.00 55.97 54.51 1xlo s LYS 79 Cb -0.16 -1.73 1.17 0.00 -0.52 0.00 0.00 37.83 36.60 1xlo s LYS 79 CO 0.10 0.04 1.95 -1.35 -0.92 0.00 0.00 175.35 175.17 1xlo h PRO 80 N 1.84 0.26 -0.55 -1.68 0.11 -2.02 0.03 132.00 129.99 1xlo h PRO 80 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xlo h PRO 80 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xlo h PRO 80 CO 0.75 0.17 0.00 0.27 -0.21 0.00 0.00 178.00 178.98 1xlo n ASN 81 N -4.44 5.58 -4.68 -2.05 6.94 -1.26 -4.95 115.26 110.40 1xlo n ASN 81 Ca 0.12 -2.94 -0.42 0.00 -0.02 0.00 0.00 54.58 51.32 1xlo n ASN 81 Cb 0.55 -0.67 -0.03 0.00 -2.36 0.00 0.00 39.78 37.27 1xlo n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1xlo s SER 82 N -0.90 7.07 0.16 0.53 0.01 -0.01 -1.30 113.70 119.26 1xlo s SER 82 Ca 0.54 1.73 0.02 0.00 1.31 0.00 0.00 55.95 59.55 1xlo s SER 82 Cb 0.41 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 1xlo s SER 82 CO 0.15 -0.59 -0.02 -0.13 0.41 0.00 0.00 173.24 173.07 1xlo s ARG 83 N 2.39 1.05 -0.40 12.44 1.81 0.04 -4.92 118.95 131.36 1xlo s ARG 83 Ca 0.54 -1.49 -0.17 0.00 -1.72 0.00 0.00 55.73 52.89 1xlo s ARG 83 Cb -0.23 -0.30 0.01 0.00 -0.45 0.00 0.00 34.95 33.99 1xlo s ARG 83 CO 0.20 -0.09 0.43 -0.51 -0.68 0.00 0.00 175.30 174.65 1xlo s LEU 84 N -3.15 4.75 0.60 2.53 1.43 -1.26 -0.98 118.68 122.60 1xlo s LEU 84 Ca 0.21 -0.56 0.28 0.00 -1.03 0.00 0.00 54.13 53.04 1xlo s LEU 84 Cb 0.06 -2.40 1.35 0.00 0.03 0.00 0.00 46.19 45.22 1xlo s LEU 84 CO 0.02 -0.54 1.75 0.77 0.23 0.00 0.00 176.35 178.58 1xlo h SER 85 N 8.67 0.00 0.43 2.29 4.64 -1.67 0.44 113.55 128.36 1xlo h SER 85 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1xlo h SER 85 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1xlo h SER 85 CO 0.78 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 1xlo n GLN 87 N -1.28 1.60 -3.50 0.00 1.13 0.16 -4.84 117.38 110.64 1xlo n GLN 87 Ca 0.11 -1.27 -0.42 0.00 -1.94 0.00 0.00 57.00 53.48 1xlo n GLN 87 Cb 0.18 -1.35 -0.10 0.00 0.11 0.00 0.00 30.24 29.09 1xlo n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xlo s ILE 88 N -1.80 4.94 -0.23 5.09 1.01 -1.09 -5.01 121.20 124.11 1xlo s ILE 88 Ca 0.19 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 1xlo s ILE 88 Cb 0.15 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1xlo s ILE 88 CO 0.34 -0.39 0.32 -0.63 0.00 0.00 0.00 174.94 174.58 1xlo s ILE 89 N 1.60 5.24 0.29 2.92 -1.09 -1.26 -1.58 121.20 127.32 1xlo s ILE 89 Ca 0.04 0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 58.68 1xlo s ILE 89 Cb -0.21 -3.66 -0.10 0.00 -1.58 0.00 0.00 42.46 36.92 1xlo s ILE 89 CO 0.07 0.25 1.33 -0.32 -1.23 0.00 0.00 174.94 175.04 1xlo s MET 90 N 1.46 4.35 0.14 2.79 1.75 -0.19 -4.86 119.30 124.75 1xlo s MET 90 Ca 0.15 2.19 -0.09 0.00 -1.25 0.00 0.00 55.69 56.68 1xlo s MET 90 Cb -0.15 -3.11 -0.01 0.00 2.84 0.00 0.00 34.83 34.41 1xlo s MET 90 CO 0.08 -0.24 0.25 0.95 -0.65 0.00 0.00 175.02 175.41 1xlo s THR 91 N -0.65 0.09 0.45 10.11 -4.23 -1.26 -1.01 115.64 119.14 1xlo s THR 91 Ca 0.53 -1.30 0.17 0.00 -1.18 0.00 0.00 61.69 59.90 1xlo s THR 91 Cb -0.39 -1.65 0.36 0.00 1.34 0.00 0.00 72.50 72.15 1xlo s THR 91 CO 0.47 -0.42 1.94 -0.65 -0.54 0.00 0.00 174.62 175.43 1xlo h PRO 92 N 2.61 0.34 0.00 3.99 0.11 -1.96 -0.68 132.00 136.41 1xlo h PRO 92 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1xlo h PRO 92 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1xlo h PRO 92 CO 0.51 0.22 0.00 0.93 -0.21 0.00 0.00 178.00 179.45 1xlo h GLU 93 N 0.35 0.00 -0.06 1.05 3.07 -1.99 -2.12 114.58 114.86 1xlo h GLU 93 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1xlo h GLU 93 Cb 0.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1xlo h GLU 93 CO -0.09 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.80 1xlo n LEU 94 N -2.87 2.45 -4.60 1.33 4.77 -0.26 -4.98 117.00 112.83 1xlo n LEU 94 Ca -0.01 -0.85 -0.54 0.00 -0.03 0.00 0.00 56.01 54.57 1xlo n LEU 94 Cb 0.14 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1xlo n LEU 94 CO 0.20 0.43 0.94 -0.67 -1.33 0.00 0.00 177.39 176.96 1xlo n ASP 95 N 0.90 1.59 0.00 -1.43 -0.08 -0.80 -1.21 116.55 115.52 1xlo n ASP 95 Ca 0.16 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.56 1xlo n ASP 95 Cb 0.50 -1.15 0.00 0.00 2.34 0.00 0.00 41.12 42.81 1xlo n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xlo n GLY 96 N 2.73 0.60 3.64 0.27 0.00 0.13 -4.91 105.19 107.65 1xlo n GLY 96 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1xlo n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xlo n ILE 97 N -2.00 2.42 -4.87 -0.61 3.06 -0.35 -4.68 119.36 112.33 1xlo n ILE 97 Ca 0.00 -0.50 -0.26 0.00 -2.50 0.00 0.00 62.75 59.49 1xlo n ILE 97 Cb 0.00 -1.30 -0.16 0.00 0.54 0.00 0.00 39.64 38.72 1xlo n ILE 97 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1xlo s VAL 98 N -1.22 1.48 0.01 9.51 1.01 -1.26 -0.81 120.40 129.11 1xlo s VAL 98 Ca 0.62 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1xlo s VAL 98 Cb -0.55 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1xlo s VAL 98 CO 0.58 0.42 -0.06 0.68 0.00 0.00 0.00 175.10 176.72 1xlo s VAL 99 N -0.07 0.42 -0.16 2.92 -7.23 -0.52 -0.97 120.40 114.79 1xlo s VAL 99 Ca -0.02 -0.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.61 1xlo s VAL 99 Cb -0.11 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1xlo s VAL 99 CO 0.02 -0.06 0.04 -1.81 -0.31 0.00 0.00 175.10 172.98 1xlo s ASP 100 N -0.59 5.43 -0.11 4.85 -0.00 -0.37 -1.03 116.67 124.84 1xlo s ASP 100 Ca -0.02 0.06 -0.22 0.00 -0.00 0.00 0.00 52.55 52.37 1xlo s ASP 100 Cb -0.05 -1.86 -0.03 0.00 -0.00 0.00 0.00 42.92 40.98 1xlo s ASP 100 CO -0.00 0.21 0.67 0.68 -0.00 0.00 0.00 175.17 176.74 1xlo s VAL 101 N 0.12 5.04 0.97 -1.27 -7.23 -0.02 -0.56 120.40 117.46 1xlo s VAL 101 Ca 0.03 1.35 -0.13 0.00 -1.81 0.00 0.00 61.98 61.42 1xlo s VAL 101 Cb -0.13 -4.00 0.05 0.00 0.56 0.00 0.00 36.38 32.86 1xlo s VAL 101 CO 0.01 0.20 0.40 -2.65 -0.31 0.00 0.00 175.10 172.76 1xlo n PRO 102 N 4.20 -0.44 0.21 4.82 -0.02 -1.26 -3.39 135.00 139.13 1xlo n PRO 102 Ca -0.01 -0.09 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1xlo n PRO 102 Cb 0.51 -1.86 0.70 0.00 -0.02 0.00 0.00 33.50 32.82 1xlo n PRO 102 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xlo h ASP 103 N -1.63 0.00 -5.05 2.55 3.45 -1.97 -3.43 116.42 110.33 1xlo h ASP 103 Ca -0.44 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.00 1xlo h ASP 103 Cb 1.29 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.95 1xlo h ASP 103 CO 0.35 0.00 0.08 0.00 -1.57 0.00 0.00 179.24 178.10 1xlo s ARG 104 N -4.97 1.33 -0.00 3.56 3.03 -1.26 -5.03 118.95 115.61 1xlo s ARG 104 Ca -0.05 -0.73 0.03 0.00 2.03 0.00 0.00 55.73 57.02 1xlo s ARG 104 Cb 0.17 0.54 -0.04 0.00 -1.03 0.00 0.00 34.95 34.59 1xlo s ARG 104 CO 0.66 -0.57 0.13 1.04 -1.13 0.00 0.00 175.30 175.43 1xlo n GLN 105 N -0.34 5.12 0.00 3.89 1.13 -1.26 -4.08 117.38 121.84 1xlo n GLN 105 Ca -0.13 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 1xlo n GLN 105 Cb 0.63 -0.71 0.00 0.00 0.11 0.00 0.00 30.24 30.27 1xlo n GLN 105 CO 0.00 0.00 0.00 -2.67 -1.44 0.00 0.00 177.06 172.95