#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqq s LYS 2 N 0.00 4.08 -0.01 1.43 1.02 -1.26 -0.47 119.74 124.53 1oqq s LYS 2 Ca 0.00 0.62 0.01 0.00 0.02 0.00 0.00 55.97 56.62 1oqq s LYS 2 Cb 0.00 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 1oqq s LYS 2 CO 0.00 0.49 -0.02 0.54 -0.92 0.00 0.00 175.35 175.44 1oqq s VAL 3 N -1.40 0.23 -0.22 3.17 0.11 -0.26 0.51 120.40 122.54 1oqq s VAL 3 Ca 0.37 -0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 59.31 1oqq s VAL 3 Cb -0.16 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1oqq s VAL 3 CO 0.19 0.09 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.30 1oqq s VAL 4 N 0.16 3.12 -0.31 2.04 1.01 0.16 -0.71 120.40 125.88 1oqq s VAL 4 Ca -0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 1oqq s VAL 4 Cb -0.04 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1oqq s VAL 4 CO -0.00 0.37 0.31 -0.31 0.00 0.00 0.00 175.10 175.47 1oqq s TYR 5 N 1.42 3.22 -0.31 5.22 1.51 0.12 -0.92 117.35 127.61 1oqq s TYR 5 Ca 0.04 0.07 -0.09 0.00 -1.01 0.00 0.00 57.07 56.08 1oqq s TYR 5 Cb -0.15 -2.55 -0.00 0.00 -0.11 0.00 0.00 41.96 39.15 1oqq s TYR 5 CO -0.05 -0.32 0.15 0.08 -1.11 0.00 0.00 175.55 174.31 1oqq s VAL 6 N 1.93 4.53 0.92 0.71 1.01 0.16 -1.05 120.40 128.61 1oqq s VAL 6 Ca 0.11 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1oqq s VAL 6 Cb -0.16 -3.33 0.14 0.00 0.00 0.00 0.00 36.38 33.02 1oqq s VAL 6 CO 0.11 0.04 1.09 -0.94 0.00 0.00 0.00 175.10 175.40 1oqq s SER 7 N 1.60 3.26 0.53 3.32 1.04 -0.11 -0.40 113.70 122.94 1oqq s SER 7 Ca 0.04 1.51 0.20 0.00 0.48 0.00 0.00 55.95 58.17 1oqq s SER 7 Cb -0.17 -2.18 1.36 0.00 0.10 0.00 0.00 66.02 65.13 1oqq s SER 7 CO 0.06 -2.77 2.13 -0.74 0.98 0.00 0.00 173.24 172.89 1oqq h HIS 8 N -1.64 0.00 0.00 5.02 2.76 -1.80 0.13 115.15 119.62 1oqq h HIS 8 Ca -0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1oqq h HIS 8 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1oqq h HIS 8 CO 0.41 0.00 0.00 -0.25 -1.30 0.00 0.00 177.93 176.79 1oqq n ASP 9 N -4.41 0.00 0.00 3.26 9.92 -1.26 -4.88 116.55 119.18 1oqq n ASP 9 Ca -0.00 -0.56 0.00 0.00 -0.53 0.00 0.00 54.79 53.69 1oqq n ASP 9 Cb 0.20 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1oqq n ASP 9 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oqq n GLY 10 N 1.00 0.75 3.64 0.44 0.00 0.45 -5.02 105.19 106.46 1oqq n GLY 10 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1oqq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oqq s THR 11 N -2.72 3.64 -0.14 2.61 2.01 -1.26 -4.71 115.64 115.07 1oqq s THR 11 Ca 0.00 0.75 -0.18 0.00 0.31 0.00 0.00 61.69 62.57 1oqq s THR 11 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1oqq s THR 11 CO 0.00 -0.16 0.47 -0.13 -0.69 0.00 0.00 174.62 174.11 1oqq s ARG 12 N 4.37 4.30 -0.26 4.92 0.52 -1.26 -0.93 118.95 130.61 1oqq s ARG 12 Ca 0.73 0.41 -0.00 0.00 -0.52 0.00 0.00 55.73 56.35 1oqq s ARG 12 Cb -0.29 -3.46 0.07 0.00 0.52 0.00 0.00 34.95 31.79 1oqq s ARG 12 CO 0.29 0.10 0.01 1.03 0.02 0.00 0.00 175.30 176.75 1oqq s ARG 13 N 0.84 1.18 -0.20 3.54 0.52 -0.22 -4.98 118.95 119.63 1oqq s ARG 13 Ca 0.25 -0.99 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 1oqq s ARG 13 Cb -0.15 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1oqq s ARG 13 CO 0.10 -0.74 0.34 -2.00 0.02 0.00 0.00 175.30 173.01 1oqq s GLU 14 N 1.49 4.17 -0.04 3.54 2.12 -1.26 -0.71 118.70 128.01 1oqq s GLU 14 Ca 0.01 0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.48 1oqq s GLU 14 Cb -0.18 -3.52 -0.00 0.00 0.26 0.00 0.00 34.13 30.69 1oqq s GLU 14 CO -0.12 0.03 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.94 1oqq s LEU 15 N 1.12 1.94 -0.50 2.70 1.43 0.11 -4.97 118.68 120.51 1oqq s LEU 15 Ca 0.17 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 1oqq s LEU 15 Cb -0.14 -1.03 0.08 0.00 0.03 0.00 0.00 46.19 45.13 1oqq s LEU 15 CO 0.07 0.17 0.51 -0.62 0.23 0.00 0.00 176.35 176.71 1oqq s ASP 16 N -0.01 6.18 0.26 2.29 3.68 -1.26 -1.10 116.67 126.71 1oqq s ASP 16 Ca -0.03 -1.28 0.08 0.00 2.13 0.00 0.00 52.55 53.45 1oqq s ASP 16 Cb -0.12 -2.23 -0.04 0.00 -1.45 0.00 0.00 42.92 39.08 1oqq s ASP 16 CO 0.02 -0.80 0.13 0.68 0.13 0.00 0.00 175.17 175.34 1oqq s VAL 17 N 2.04 4.07 0.25 1.11 -7.23 0.38 -4.75 120.40 116.27 1oqq s VAL 17 Ca 0.08 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1oqq s VAL 17 Cb -0.24 -3.21 -0.09 0.00 0.56 0.00 0.00 36.38 33.40 1oqq s VAL 17 CO 0.08 -0.35 1.28 0.00 -0.31 0.00 0.00 175.10 175.79 1oqq s ALA 18 N -2.21 3.50 0.35 1.32 0.00 -1.26 0.13 121.76 123.59 1oqq s ALA 18 Ca 0.33 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 53.12 1oqq s ALA 18 Cb -0.07 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 1oqq s ALA 18 CO 0.23 -0.51 1.49 -0.51 0.00 0.00 0.00 175.76 176.47 1oqq s ASP 19 N -0.07 6.39 0.00 0.00 1.01 -1.26 -2.28 116.67 120.46 1oqq s ASP 19 Ca 0.53 2.99 0.00 0.00 0.71 0.00 0.00 52.55 56.78 1oqq s ASP 19 Cb -0.37 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 40.90 1oqq s ASP 19 CO 0.43 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.57 1oqq n GLY 20 N 0.84 2.48 3.76 0.21 0.00 0.38 -4.98 105.19 107.88 1oqq n GLY 20 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1oqq n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oqq s VAL 21 N -2.39 4.39 0.62 1.61 1.01 -0.97 -4.70 120.40 119.97 1oqq s VAL 21 Ca 0.00 1.81 -0.14 0.00 0.00 0.00 0.00 61.98 63.65 1oqq s VAL 21 Cb 0.00 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1oqq s VAL 21 CO 0.00 0.47 1.04 -0.94 0.00 0.00 0.00 175.10 175.67 1oqq s SER 22 N -0.82 5.85 0.48 3.32 1.04 -1.26 -1.17 113.70 121.13 1oqq s SER 22 Ca 0.38 1.66 0.23 0.00 0.48 0.00 0.00 55.95 58.71 1oqq s SER 22 Cb -0.23 -2.51 1.19 0.00 0.10 0.00 0.00 66.02 64.57 1oqq s SER 22 CO 0.27 -1.12 1.98 -0.07 0.98 0.00 0.00 173.24 175.28 1oqq h LEU 23 N 0.04 0.00 -0.09 2.42 3.38 -0.78 -1.62 115.31 118.66 1oqq h LEU 23 Ca -0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1oqq h LEU 23 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1oqq h LEU 23 CO 0.58 0.19 -0.13 -0.03 0.09 0.00 0.00 178.44 179.14 1oqq h MET 24 N 0.00 0.25 -0.69 1.13 4.05 -1.73 -2.60 114.93 115.34 1oqq h MET 24 Ca -0.00 -0.15 -0.04 0.00 -0.28 0.00 0.00 59.70 59.23 1oqq h MET 24 Cb 0.47 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.25 1oqq h MET 24 CO 0.02 0.72 0.26 0.37 0.23 0.00 0.00 176.91 178.51 1oqq h GLN 25 N -0.19 1.04 -0.36 0.39 5.75 -1.77 -0.87 115.11 119.09 1oqq h GLN 25 Ca 0.01 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.26 1oqq h GLN 25 Cb 0.69 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1oqq h GLN 25 CO 0.03 0.87 0.01 0.00 -2.65 0.00 0.00 178.83 177.09 1oqq h ALA 26 N 1.12 1.35 0.14 3.38 0.00 -1.36 -1.28 119.26 122.60 1oqq h ALA 26 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1oqq h ALA 26 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1oqq h ALA 26 CO -0.02 0.45 -0.06 0.00 0.00 0.00 0.00 179.25 179.62 1oqq h ALA 27 N 1.48 -0.18 0.00 0.00 0.00 -0.99 -2.73 119.26 116.84 1oqq h ALA 27 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1oqq h ALA 27 Cb 0.32 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1oqq h ALA 27 CO 0.01 -0.37 -0.22 -0.39 0.00 0.00 0.00 179.25 178.27 1oqq h VAL 28 N -0.64 0.82 0.00 0.00 -1.51 -1.10 -0.48 116.25 113.33 1oqq h VAL 28 Ca -0.02 -0.89 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 1oqq h VAL 28 Cb 0.49 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1oqq h VAL 28 CO 0.03 0.22 -0.16 -1.20 -1.23 0.00 0.00 177.57 175.23 1oqq n SER 29 N -3.77 0.25 -1.31 4.19 7.64 -0.49 -4.08 113.62 116.05 1oqq n SER 29 Ca -0.01 0.30 -0.00 0.00 1.01 0.00 0.00 58.87 60.17 1oqq n SER 29 Cb 0.33 -0.31 0.11 0.00 -1.01 0.00 0.00 64.21 63.33 1oqq n SER 29 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1oqq n ASN 30 N -1.62 2.04 -0.41 6.43 3.02 -0.82 -5.00 115.26 118.90 1oqq n ASN 30 Ca 0.06 -3.17 -0.05 0.00 -0.03 0.00 0.00 54.58 51.39 1oqq n ASN 30 Cb 0.35 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 1oqq n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oqq n GLY 31 N -0.55 0.76 2.99 7.41 0.00 -1.14 -4.92 105.19 109.74 1oqq n GLY 31 Ca 0.18 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1oqq n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1oqq n ILE 32 N -2.70 3.90 0.24 -0.61 2.08 -0.25 -4.79 119.36 117.23 1oqq n ILE 32 Ca -0.05 -3.81 0.18 0.00 0.56 0.00 0.00 62.75 59.62 1oqq n ILE 32 Cb 0.25 -2.47 0.84 0.00 -0.75 0.00 0.00 39.64 37.50 1oqq n ILE 32 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 1oqq h TYR 33 N 6.30 0.00 0.00 1.39 -0.00 -1.91 -1.98 116.97 120.76 1oqq h TYR 33 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.20 1oqq h TYR 33 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.43 1oqq h TYR 33 CO 1.35 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 179.11 1oqq n ASP 34 N -3.35 0.00 -4.13 0.10 5.75 -1.26 -4.41 116.55 109.24 1oqq n ASP 34 Ca 0.01 -0.96 -0.32 0.00 -0.01 0.00 0.00 54.79 53.51 1oqq n ASP 34 Cb 0.41 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.33 1oqq n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1oqq s ILE 35 N -2.00 1.99 -0.21 2.12 1.01 -0.75 -4.77 121.20 118.59 1oqq s ILE 35 Ca 0.30 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 1oqq s ILE 35 Cb 0.14 -1.78 -0.19 0.00 0.01 0.00 0.00 42.46 40.64 1oqq s ILE 35 CO 0.23 0.53 0.07 0.52 0.00 0.00 0.00 174.94 176.30 1oqq n VAL 36 N 4.37 1.59 -3.55 2.92 0.31 -0.48 -4.67 118.33 118.82 1oqq n VAL 36 Ca -0.20 -0.31 -0.22 0.00 -0.01 0.00 0.00 64.34 63.60 1oqq n VAL 36 Cb 0.51 -1.87 0.08 0.00 -0.91 0.00 0.00 33.84 31.65 1oqq n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1oqq n GLY 37 N 1.61 -0.49 0.27 2.92 0.00 -0.87 -4.91 105.19 103.71 1oqq n GLY 37 Ca -0.39 0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1oqq n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1oqq h ASP 38 N -2.49 -0.02 0.50 1.61 1.82 -1.95 -1.83 116.42 114.05 1oqq h ASP 38 Ca -0.57 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1oqq h ASP 38 Cb 1.36 0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.57 1oqq h ASP 38 CO 0.54 -0.05 0.00 0.00 -1.61 0.00 0.00 179.24 178.12 1oqq n GLY 40 N 0.88 0.74 0.17 0.00 0.00 -0.69 -4.30 105.19 101.99 1oqq n GLY 40 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1oqq n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oqq n GLY 41 N -2.36 1.32 1.45 -0.02 0.00 -1.26 -5.01 105.19 99.31 1oqq n GLY 41 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1oqq n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oqq n SER 42 N 0.17 4.91 -3.75 1.61 3.41 -1.26 -4.85 113.62 113.86 1oqq n SER 42 Ca 0.00 -2.98 -0.23 0.00 -0.26 0.00 0.00 58.87 55.39 1oqq n SER 42 Cb 0.02 -0.63 0.03 0.00 -0.26 0.00 0.00 64.21 63.37 1oqq n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oqq n ALA 43 N 0.10 -1.84 -0.31 7.33 0.00 -1.26 -4.88 120.51 119.64 1oqq n ALA 43 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.63 1oqq n ALA 43 Cb 1.07 -2.57 0.02 0.00 0.00 0.00 0.00 19.45 17.97 1oqq n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1oqq n SER 44 N -3.01 1.76 -0.85 0.00 7.64 -1.26 -4.89 113.62 113.01 1oqq n SER 44 Ca -0.22 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.63 1oqq n SER 44 Cb 0.64 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1oqq n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oqq n ALA 46 N -3.00 2.35 -0.50 0.00 0.00 -1.26 -4.84 120.51 113.26 1oqq n ALA 46 Ca 0.00 -2.26 0.07 0.00 0.00 0.00 0.00 53.44 51.25 1oqq n ALA 46 Cb 0.00 -0.71 0.34 0.00 0.00 0.00 0.00 19.45 19.07 1oqq n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1oqq n THR 47 N 0.43 2.04 -1.25 0.00 -2.24 -1.26 -3.77 114.28 108.22 1oqq n THR 47 Ca 0.06 -1.13 0.07 0.00 -2.27 0.00 0.00 64.05 60.78 1oqq n THR 47 Cb 1.10 -0.14 0.10 0.00 -2.10 0.00 0.00 70.33 69.30 1oqq n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oqq n HIS 49 N -1.07 2.29 -3.91 0.00 -0.00 -1.25 -1.44 115.22 109.84 1oqq n HIS 49 Ca 0.12 0.35 -0.09 0.00 -0.00 0.00 0.00 57.72 58.09 1oqq n HIS 49 Cb 0.64 -2.51 -0.07 0.00 -0.00 0.00 0.00 29.99 28.05 1oqq n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1oqq s VAL 50 N 0.33 0.12 -0.27 3.57 -7.23 -0.40 -4.36 120.40 112.16 1oqq s VAL 50 Ca 0.72 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.54 1oqq s VAL 50 Cb -0.64 -1.52 0.01 0.00 0.56 0.00 0.00 36.38 34.79 1oqq s VAL 50 CO 0.45 -0.56 0.02 -0.31 -0.31 0.00 0.00 175.10 174.39 1oqq s TYR 51 N -3.90 3.09 0.06 2.82 4.12 0.31 -0.82 117.35 123.03 1oqq s TYR 51 Ca 0.09 -1.09 -0.30 0.00 0.02 0.00 0.00 57.07 55.79 1oqq s TYR 51 Cb 0.05 -2.18 -0.05 0.00 -1.52 0.00 0.00 41.96 38.26 1oqq s TYR 51 CO -0.07 -0.60 1.05 0.08 0.02 0.00 0.00 175.55 176.03 1oqq s VAL 52 N 1.46 4.46 0.19 0.71 1.01 -0.25 -0.87 120.40 127.10 1oqq s VAL 52 Ca 0.03 1.85 -0.32 0.00 0.00 0.00 0.00 61.98 63.53 1oqq s VAL 52 Cb -0.16 -4.18 -0.15 0.00 0.00 0.00 0.00 36.38 31.88 1oqq s VAL 52 CO -0.00 0.19 1.27 -3.20 0.00 0.00 0.00 175.10 173.36 1oqq n ASN 53 N 3.52 1.93 0.28 3.32 5.15 -0.15 -4.71 115.26 124.60 1oqq n ASN 53 Ca 0.06 1.14 0.18 0.00 -0.60 0.00 0.00 54.58 55.36 1oqq n ASN 53 Cb 0.49 -1.30 0.93 0.00 -0.53 0.00 0.00 39.78 39.37 1oqq n ASN 53 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1oqq h GLU 54 N 3.81 0.00 0.00 1.20 3.07 -1.93 0.91 114.58 121.64 1oqq h GLU 54 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1oqq h GLU 54 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1oqq h GLU 54 CO 0.73 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.34 1oqq n ALA 55 N -2.11 2.16 -0.03 3.43 0.00 -1.26 -3.57 120.51 119.12 1oqq n ALA 55 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1oqq n ALA 55 Cb 0.29 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1oqq n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1oqq n PHE 56 N -1.47 0.00 -0.08 0.00 3.01 0.27 -4.78 117.46 114.41 1oqq n PHE 56 Ca 0.07 0.00 0.21 0.00 1.01 0.00 0.00 57.45 58.74 1oqq n PHE 56 Cb 0.28 0.00 0.65 0.00 -0.01 0.00 0.00 39.48 40.40 1oqq n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1oqq h THR 57 N 0.03 0.70 -0.28 4.37 1.35 -1.50 -0.42 112.91 117.17 1oqq h THR 57 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1oqq h THR 57 Cb 0.02 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1oqq h THR 57 CO 0.00 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 174.39 1oqq n ASP 58 N -4.38 3.29 -0.02 5.36 5.75 -1.26 -4.03 116.55 121.25 1oqq n ASP 58 Ca 0.13 -1.98 -0.04 0.00 -0.01 0.00 0.00 54.79 52.89 1oqq n ASP 58 Cb 0.67 -0.17 -0.13 0.00 -1.03 0.00 0.00 41.12 40.46 1oqq n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1oqq n LYS 59 N 1.41 0.65 -2.79 0.11 5.02 -0.20 -4.88 118.16 117.47 1oqq n LYS 59 Ca 0.17 0.14 -0.41 0.00 -2.02 0.00 0.00 58.31 56.20 1oqq n LYS 59 Cb 0.59 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 1oqq n LYS 59 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1oqq s VAL 60 N -2.78 4.43 0.37 -0.18 1.01 -0.99 -4.91 120.40 117.36 1oqq s VAL 60 Ca -0.06 1.98 -0.27 0.00 0.00 0.00 0.00 61.98 63.63 1oqq s VAL 60 Cb 0.08 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.07 1oqq s VAL 60 CO 0.83 0.38 1.19 -2.65 0.00 0.00 0.00 175.10 174.85 1oqq n PRO 61 N 2.41 1.80 -1.74 2.72 -0.02 -1.26 -4.87 135.00 134.04 1oqq n PRO 61 Ca -0.00 0.64 -0.40 0.00 -2.02 0.00 0.00 63.50 61.72 1oqq n PRO 61 Cb 0.49 -2.21 0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1oqq n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oqq n ALA 62 N 0.01 1.69 -1.77 3.55 0.00 -1.26 -4.96 120.51 117.77 1oqq n ALA 62 Ca 0.07 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 1oqq n ALA 62 Cb 0.37 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.46 1oqq n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oqq s ALA 63 N -1.24 2.98 0.63 0.00 0.00 -1.26 -5.04 121.76 117.83 1oqq s ALA 63 Ca 0.65 0.94 0.07 0.00 0.00 0.00 0.00 51.96 53.62 1oqq s ALA 63 Cb -0.45 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 19.40 1oqq s ALA 63 CO 0.54 -0.65 0.87 0.54 0.00 0.00 0.00 175.76 177.06 1oqq s ASN 64 N -1.35 4.84 0.32 0.00 2.20 -1.26 -4.91 114.94 114.78 1oqq s ASN 64 Ca 0.63 -0.79 0.04 0.00 -0.94 0.00 0.00 52.86 51.80 1oqq s ASN 64 Cb -0.29 0.35 0.64 0.00 -2.00 0.00 0.00 41.25 39.96 1oqq s ASN 64 CO 0.35 -1.55 1.88 -0.08 -2.94 0.00 0.00 177.10 174.76 1oqq h GLU 65 N -0.05 0.87 -0.12 3.55 4.57 -1.99 -2.07 114.58 119.34 1oqq h GLU 65 Ca -0.30 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.83 1oqq h GLU 65 Cb 1.28 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1oqq h GLU 65 CO 0.40 0.57 0.06 -0.09 -1.18 0.00 0.00 179.01 178.77 1oqq h ARG 66 N 0.89 0.13 -0.15 1.92 9.65 -1.98 -0.25 114.38 124.59 1oqq h ARG 66 Ca 0.44 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.30 1oqq h ARG 66 Cb 0.46 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1oqq h ARG 66 CO -0.20 0.09 0.06 1.49 2.80 0.00 0.00 179.97 184.21 1oqq h GLU 67 N 0.13 0.22 -0.82 0.20 4.81 -1.81 -1.99 114.58 115.32 1oqq h GLU 67 Ca 0.05 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1oqq h GLU 67 Cb 0.00 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1oqq h GLU 67 CO -0.03 0.32 0.53 0.82 -0.73 0.00 0.00 179.01 179.91 1oqq h ILE 68 N 0.08 1.11 -0.55 2.32 1.08 -1.26 -0.56 117.51 119.73 1oqq h ILE 68 Ca 0.05 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 1oqq h ILE 68 Cb 0.18 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 33.91 1oqq h ILE 68 CO -0.00 0.18 0.28 1.23 -0.69 0.00 0.00 178.15 179.15 1oqq h GLY 69 N 1.01 0.84 1.16 5.37 0.00 -0.86 -2.80 103.07 107.79 1oqq h GLY 69 Ca 0.33 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1oqq h GLY 69 CO -0.12 0.38 0.08 -0.33 0.00 0.00 0.00 176.54 176.55 1oqq h MET 70 N 0.74 1.02 0.00 4.80 2.86 -0.84 -2.73 114.93 120.78 1oqq h MET 70 Ca 0.19 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1oqq h MET 70 Cb 0.09 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1oqq h MET 70 CO -0.03 0.96 -0.01 -0.07 1.06 0.00 0.00 176.91 178.82 1oqq h LEU 71 N 0.96 0.00 -0.86 1.22 3.38 -0.86 -0.88 115.31 118.27 1oqq h LEU 71 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1oqq h LEU 71 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1oqq h LEU 71 CO 0.01 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 1oqq n GLU 72 N -3.31 0.12 -0.19 1.13 -0.58 -1.03 -1.93 120.64 114.85 1oqq n GLU 72 Ca -0.03 0.52 0.10 0.00 -0.42 0.00 0.00 57.16 57.33 1oqq n GLU 72 Cb 0.11 -1.82 0.20 0.00 -0.57 0.00 0.00 31.44 29.35 1oqq n GLU 72 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1oqq n SER 73 N -2.07 3.24 -4.69 1.62 3.41 -0.34 -5.01 113.62 109.79 1oqq n SER 73 Ca 0.00 -1.93 -0.41 0.00 -0.26 0.00 0.00 58.87 56.28 1oqq n SER 73 Cb 0.10 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 63.81 1oqq n SER 73 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1oqq n VAL 74 N 1.19 2.66 0.09 -3.33 0.24 -0.81 -4.90 118.33 113.46 1oqq n VAL 74 Ca 0.17 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 62.00 1oqq n VAL 74 Cb 0.53 -1.49 -0.02 0.00 -1.47 0.00 0.00 33.84 31.38 1oqq n VAL 74 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1oqq h THR 75 N 1.90 0.49 -2.68 3.34 1.35 -1.85 -3.46 112.91 112.00 1oqq h THR 75 Ca -0.47 -1.83 -0.46 0.00 -0.55 0.00 0.00 66.41 63.09 1oqq h THR 75 Cb 1.30 2.05 0.10 0.00 -1.73 0.00 0.00 68.15 69.87 1oqq h THR 75 CO 0.59 0.28 0.17 0.00 -0.25 0.00 0.00 175.52 176.31 1oqq s ALA 76 N -3.03 3.38 0.26 6.62 0.00 -1.26 -5.00 121.76 122.74 1oqq s ALA 76 Ca 0.00 -1.53 -0.31 0.00 0.00 0.00 0.00 51.96 50.12 1oqq s ALA 76 Cb 0.08 -2.21 -0.12 0.00 0.00 0.00 0.00 23.12 20.87 1oqq s ALA 76 CO 0.78 -1.59 1.64 -2.00 0.00 0.00 0.00 175.76 174.59 1oqq s GLU 77 N -5.27 4.12 -0.24 0.00 2.12 -1.26 -4.95 118.70 113.22 1oqq s GLU 77 Ca 0.67 2.59 -0.24 0.00 0.36 0.00 0.00 54.97 58.34 1oqq s GLU 77 Cb -0.06 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 1oqq s GLU 77 CO 0.46 -0.68 0.81 -1.17 -0.54 0.00 0.00 175.26 174.14 1oqq s LEU 78 N 0.13 4.08 0.34 2.70 2.96 -1.26 -5.03 118.68 122.61 1oqq s LEU 78 Ca 0.68 1.01 0.09 0.00 -0.22 0.00 0.00 54.13 55.68 1oqq s LEU 78 Cb -0.48 -3.16 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1oqq s LEU 78 CO 0.42 -0.49 0.04 -0.54 -1.32 0.00 0.00 176.35 174.46 1oqq s LYS 79 N 2.76 2.13 0.42 1.98 1.02 -1.26 -5.02 119.74 121.76 1oqq s LYS 79 Ca 0.34 -1.73 0.11 0.00 0.02 0.00 0.00 55.97 54.71 1oqq s LYS 79 Cb -0.15 -1.96 0.96 0.00 -0.52 0.00 0.00 37.83 36.15 1oqq s LYS 79 CO 0.08 0.12 1.99 -1.35 -0.92 0.00 0.00 175.35 175.26 1oqq h PRO 80 N 1.75 0.47 -0.62 -1.68 0.11 -2.01 -1.54 132.00 128.47 1oqq h PRO 80 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1oqq h PRO 80 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1oqq h PRO 80 CO 0.67 0.31 0.00 0.27 -0.21 0.00 0.00 178.00 179.04 1oqq n ASN 81 N -4.47 3.73 -4.75 -2.05 6.94 -1.26 -4.95 115.26 108.45 1oqq n ASN 81 Ca 0.09 -2.35 -0.41 0.00 -0.02 0.00 0.00 54.58 51.89 1oqq n ASN 81 Cb 0.30 -0.51 -0.03 0.00 -2.36 0.00 0.00 39.78 37.18 1oqq n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1oqq s SER 82 N -0.78 6.89 0.08 0.53 0.01 -0.58 -1.10 113.70 118.75 1oqq s SER 82 Ca 0.38 2.49 -0.08 0.00 1.31 0.00 0.00 55.95 60.06 1oqq s SER 82 Cb 0.25 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1oqq s SER 82 CO 0.18 -0.49 0.17 -0.13 0.41 0.00 0.00 173.24 173.37 1oqq s ARG 83 N -0.83 0.80 -0.37 12.44 1.81 0.00 -4.93 118.95 127.88 1oqq s ARG 83 Ca 0.53 -0.95 -0.20 0.00 -1.72 0.00 0.00 55.73 53.39 1oqq s ARG 83 Cb -0.37 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.45 1oqq s ARG 83 CO 0.44 -0.24 0.60 -0.51 -0.68 0.00 0.00 175.30 174.91 1oqq s LEU 84 N -2.77 4.33 0.66 2.53 1.43 -1.26 -1.28 118.68 122.31 1oqq s LEU 84 Ca 0.04 0.01 0.42 0.00 -1.03 0.00 0.00 54.13 53.57 1oqq s LEU 84 Cb 0.04 -2.72 2.33 0.00 0.03 0.00 0.00 46.19 45.87 1oqq s LEU 84 CO -0.10 -0.59 2.35 0.77 0.23 0.00 0.00 176.35 179.01 1oqq h SER 85 N 8.53 0.00 0.88 2.29 4.64 -1.58 -0.78 113.55 127.52 1oqq h SER 85 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1oqq h SER 85 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1oqq h SER 85 CO 0.83 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.79 1oqq n GLN 87 N -2.00 2.34 -3.70 0.00 1.13 -0.30 -4.81 117.38 110.03 1oqq n GLN 87 Ca 0.04 -1.99 -0.38 0.00 -1.94 0.00 0.00 57.00 52.73 1oqq n GLN 87 Cb 0.28 -1.48 -0.12 0.00 0.11 0.00 0.00 30.24 29.02 1oqq n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1oqq s ILE 88 N -1.73 4.19 -0.20 5.09 1.01 -1.02 -5.01 121.20 123.53 1oqq s ILE 88 Ca 0.34 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 1oqq s ILE 88 Cb 0.21 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1oqq s ILE 88 CO 0.31 -0.02 0.36 -0.63 0.00 0.00 0.00 174.94 174.96 1oqq s ILE 89 N 1.52 5.22 0.25 2.92 -1.09 -1.26 -1.22 121.20 127.54 1oqq s ILE 89 Ca 0.02 0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 58.78 1oqq s ILE 89 Cb -0.18 -3.70 -0.10 0.00 -1.58 0.00 0.00 42.46 36.90 1oqq s ILE 89 CO 0.04 0.27 1.48 -0.32 -1.23 0.00 0.00 174.94 175.18 1oqq s MET 90 N 1.25 4.23 0.21 2.79 -2.45 -0.31 -4.82 119.30 120.19 1oqq s MET 90 Ca 0.17 2.36 -0.09 0.00 -1.25 0.00 0.00 55.69 56.89 1oqq s MET 90 Cb -0.14 -3.09 -0.01 0.00 1.25 0.00 0.00 34.83 32.83 1oqq s MET 90 CO 0.07 -0.48 0.33 0.95 1.05 0.00 0.00 175.02 176.95 1oqq s THR 91 N 0.05 0.02 0.46 10.11 -4.23 -1.26 -0.47 115.64 120.33 1oqq s THR 91 Ca 0.61 -1.52 0.13 0.00 -1.18 0.00 0.00 61.69 59.74 1oqq s THR 91 Cb -0.43 -2.12 0.29 0.00 1.34 0.00 0.00 72.50 71.58 1oqq s THR 91 CO 0.44 -0.11 2.07 -0.65 -0.54 0.00 0.00 174.62 175.82 1oqq h PRO 92 N 2.44 0.27 0.00 3.99 0.11 -1.99 -0.78 132.00 136.04 1oqq h PRO 92 Ca -0.30 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1oqq h PRO 92 Cb 1.24 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1oqq h PRO 92 CO 0.44 0.18 -0.10 1.49 -0.21 0.00 0.00 178.00 179.80 1oqq h GLU 93 N 0.28 0.00 -0.62 1.05 4.57 -1.97 -1.93 114.58 115.96 1oqq h GLU 93 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1oqq h GLU 93 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1oqq h GLU 93 CO -0.03 0.10 0.00 1.28 -1.18 0.00 0.00 179.01 179.18 1oqq n LEU 94 N -3.82 3.66 -4.68 1.64 4.77 -0.31 -4.96 117.00 113.31 1oqq n LEU 94 Ca -0.02 -1.77 -0.46 0.00 -0.03 0.00 0.00 56.01 53.73 1oqq n LEU 94 Cb 0.20 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1oqq n LEU 94 CO 0.30 0.88 1.45 -0.67 -1.33 0.00 0.00 177.39 178.02 1oqq n ASP 95 N 1.53 3.56 0.00 -1.43 -0.08 -0.73 -0.75 116.55 118.65 1oqq n ASP 95 Ca 0.22 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.49 1oqq n ASP 95 Cb 0.59 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.63 1oqq n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1oqq n GLY 96 N 4.20 0.53 3.64 0.27 0.00 0.18 -4.87 105.19 109.15 1oqq n GLY 96 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 1oqq n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1oqq n ILE 97 N -2.00 1.16 -4.83 -0.61 3.06 0.07 -4.65 119.36 111.56 1oqq n ILE 97 Ca 0.00 -0.29 -0.33 0.00 -2.50 0.00 0.00 62.75 59.63 1oqq n ILE 97 Cb 0.00 -1.27 -0.14 0.00 0.54 0.00 0.00 39.64 38.77 1oqq n ILE 97 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1oqq s VAL 98 N -0.31 3.00 -0.06 9.51 1.01 -1.26 -0.66 120.40 131.62 1oqq s VAL 98 Ca 0.67 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1oqq s VAL 98 Cb -0.70 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 33.46 1oqq s VAL 98 CO 0.53 0.54 -0.12 0.68 0.00 0.00 0.00 175.10 176.73 1oqq s VAL 99 N 0.09 1.07 -0.16 2.92 -7.23 -0.09 -0.98 120.40 116.02 1oqq s VAL 99 Ca -0.06 -0.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.50 1oqq s VAL 99 Cb -0.15 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1oqq s VAL 99 CO 0.05 0.34 0.38 -1.81 -0.31 0.00 0.00 175.10 173.74 1oqq s ASP 100 N 0.60 6.50 -0.16 4.85 1.01 -0.05 -0.66 116.67 128.76 1oqq s ASP 100 Ca -0.13 0.59 -0.14 0.00 0.71 0.00 0.00 52.55 53.58 1oqq s ASP 100 Cb -0.15 -2.23 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1oqq s ASP 100 CO 0.03 0.01 0.30 -0.69 0.21 0.00 0.00 175.17 175.03 1oqq s VAL 101 N 0.81 5.30 1.03 -1.27 1.01 0.46 -0.53 120.40 127.21 1oqq s VAL 101 Ca 0.20 0.57 -0.12 0.00 0.00 0.00 0.00 61.98 62.63 1oqq s VAL 101 Cb -0.14 -3.64 0.21 0.00 0.00 0.00 0.00 36.38 32.80 1oqq s VAL 101 CO 0.07 0.38 1.08 -2.16 0.00 0.00 0.00 175.10 174.47 1oqq s PRO 102 N 0.48 0.14 0.01 2.72 0.04 -1.26 -2.98 135.00 134.16 1oqq s PRO 102 Ca 0.17 1.01 0.22 0.00 0.04 0.00 0.00 61.00 62.44 1oqq s PRO 102 Cb -0.13 -1.67 0.94 0.00 0.04 0.00 0.00 34.50 33.68 1oqq s PRO 102 CO 0.04 -3.06 1.71 -0.40 0.04 0.00 0.00 177.00 175.34 1oqq n ASP 103 N -4.47 0.04 -3.66 6.66 5.75 -1.26 -4.66 116.55 114.95 1oqq n ASP 103 Ca 0.06 0.51 -0.15 0.00 -0.01 0.00 0.00 54.79 55.20 1oqq n ASP 103 Cb 0.54 -0.52 -0.07 0.00 -1.03 0.00 0.00 41.12 40.04 1oqq n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1oqq s ARG 104 N -3.01 0.84 -0.02 0.11 1.70 -1.26 -5.03 118.95 112.28 1oqq s ARG 104 Ca 0.10 -0.01 0.02 0.00 -0.47 0.00 0.00 55.73 55.37 1oqq s ARG 104 Cb 0.14 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 1oqq s ARG 104 CO 0.41 -0.25 0.01 1.04 -1.08 0.00 0.00 175.30 175.43 1oqq n GLN 105 N 1.09 3.11 0.00 3.89 1.13 -1.26 -4.28 117.38 121.05 1oqq n GLN 105 Ca -0.20 -0.00 0.12 0.00 -1.94 0.00 0.00 57.00 54.97 1oqq n GLN 105 Cb 0.57 -1.05 0.10 0.00 0.11 0.00 0.00 30.24 29.96 1oqq n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53