#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq s GLU 2 N 0.00 3.91 -0.14 3.17 0.41 -1.24 -4.74 118.70 120.08 2waq s GLU 2 Ca 0.00 0.40 -0.10 0.00 -0.41 0.00 0.00 54.97 54.86 2waq s GLU 2 Cb 0.00 -3.17 -0.05 0.00 -1.78 0.00 0.00 34.13 29.14 2waq s GLU 2 CO 0.00 0.65 0.20 0.42 -0.49 0.00 0.00 175.26 176.04 2waq s ILE 3 N -1.16 5.38 -0.02 -1.63 1.09 -1.26 -1.70 121.20 121.90 2waq s ILE 3 Ca 0.27 0.34 0.03 0.00 -1.10 0.00 0.00 60.65 60.19 2waq s ILE 3 Cb -0.16 -3.50 -0.00 0.00 -1.06 0.00 0.00 42.46 37.73 2waq s ILE 3 CO 0.15 0.51 -0.11 -0.54 -0.10 0.00 0.00 174.94 174.86 2waq s LYS 4 N -0.29 1.06 -0.47 2.79 -0.14 -0.70 -4.99 119.74 116.99 2waq s LYS 4 Ca 0.14 -0.36 -0.24 0.00 -1.36 0.00 0.00 55.97 54.15 2waq s LYS 4 Cb -0.12 -0.98 0.03 0.00 -1.68 0.00 0.00 37.83 35.08 2waq s LYS 4 CO 0.03 0.16 0.86 0.96 -0.76 0.00 0.00 175.35 176.60 2waq s ILE 5 N 0.08 4.54 -0.11 2.17 -4.36 -1.26 -1.65 121.20 120.62 2waq s ILE 5 Ca -0.02 0.52 -0.17 0.00 -0.26 0.00 0.00 60.65 60.72 2waq s ILE 5 Cb -0.08 -4.40 -0.27 0.00 1.25 0.00 0.00 42.46 38.96 2waq s ILE 5 CO 0.00 -0.83 0.57 -0.07 0.24 0.00 0.00 174.94 174.86 2waq h LEU 6 N 10.44 0.35 -6.01 0.37 3.38 -1.48 -3.48 115.31 118.88 2waq h LEU 6 Ca -0.25 -0.85 0.12 0.00 0.09 0.00 0.00 57.88 56.99 2waq h LEU 6 Cb 1.08 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 41.51 2waq h LEU 6 CO 1.01 1.57 -0.20 -0.75 0.09 0.00 0.00 178.44 180.16 2waq s LYS 7 N -2.46 0.50 -0.38 1.13 2.20 -1.19 -5.01 119.74 114.54 2waq s LYS 7 Ca -0.20 0.90 0.01 0.00 -0.36 0.00 0.00 55.97 56.32 2waq s LYS 7 Cb 0.04 0.50 0.11 0.00 -1.51 0.00 0.00 37.83 36.96 2waq s LYS 7 CO 0.76 -0.54 0.13 0.45 -0.36 0.00 0.00 175.35 175.78 2waq s SER 8 N 2.88 4.95 -0.21 1.43 0.15 -1.26 -1.26 113.70 120.37 2waq s SER 8 Ca 0.17 -2.16 0.01 0.00 0.70 0.00 0.00 55.95 54.67 2waq s SER 8 Cb -0.14 -1.71 0.05 0.00 -1.71 0.00 0.00 66.02 62.51 2waq s SER 8 CO -0.19 -0.44 -0.08 -0.70 1.20 0.00 0.00 173.24 173.03 2waq s GLU 9 N 0.92 1.83 2.04 5.44 2.56 -0.99 -5.01 118.70 125.49 2waq s GLU 9 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 54.97 54.18 2waq s GLU 9 Cb -0.21 -2.47 0.00 0.00 2.00 0.00 0.00 34.13 33.45 2waq s GLU 9 CO -0.06 -0.50 0.00 0.43 -0.56 0.00 0.00 175.26 174.57 2waq n SER 10 N 4.68 0.00 -0.24 -1.70 7.64 -1.26 -0.62 113.62 122.12 2waq n SER 10 Ca -0.13 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.77 2waq n SER 10 Cb 0.45 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.71 2waq n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2waq n ASN 11 N 4.40 2.22 -4.82 6.43 3.02 -1.26 -4.77 115.26 120.47 2waq n ASN 11 Ca 0.00 -1.88 -0.35 0.00 -0.03 0.00 0.00 54.58 52.32 2waq n ASN 11 Cb 0.00 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.02 2waq n ASN 11 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2waq s TYR 12 N -0.91 3.42 -0.03 3.10 5.04 0.21 -2.79 117.35 125.39 2waq s TYR 12 Ca 0.09 0.35 0.02 0.00 -2.44 0.00 0.00 57.07 55.09 2waq s TYR 12 Cb 0.05 -1.84 0.01 0.00 0.35 0.00 0.00 41.96 40.52 2waq s TYR 12 CO 0.06 0.62 -0.08 -1.17 -1.34 0.00 0.00 175.55 173.64 2waq s LEU 13 N -1.34 1.71 -0.33 6.97 2.96 -0.46 -2.35 118.68 125.83 2waq s LEU 13 Ca 0.19 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2waq s LEU 13 Cb -0.12 -0.53 0.10 0.00 0.50 0.00 0.00 46.19 46.14 2waq s LEU 13 CO 0.09 0.04 0.07 -0.70 -1.32 0.00 0.00 176.35 174.53 2waq s GLU 14 N 0.33 1.23 0.08 1.98 2.56 -0.39 -2.43 118.70 122.06 2waq s GLU 14 Ca -0.05 -1.62 0.04 0.00 0.00 0.00 0.00 54.97 53.33 2waq s GLU 14 Cb -0.10 -2.80 -0.04 0.00 2.00 0.00 0.00 34.13 33.19 2waq s GLU 14 CO 0.01 -0.96 0.04 -1.17 -0.56 0.00 0.00 175.26 172.61 2waq s LEU 15 N 1.12 3.62 -0.27 2.70 2.96 -1.18 -1.10 118.68 126.53 2waq s LEU 15 Ca 0.11 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2waq s LEU 15 Cb -0.19 -2.32 0.08 0.00 0.50 0.00 0.00 46.19 44.26 2waq s LEU 15 CO -0.14 0.18 0.05 -0.70 -1.32 0.00 0.00 176.35 174.42 2waq s GLU 16 N -2.33 0.95 -0.22 1.98 2.12 -0.66 -2.26 118.70 118.29 2waq s GLU 16 Ca 0.27 -0.96 -0.14 0.00 0.36 0.00 0.00 54.97 54.51 2waq s GLU 16 Cb -0.12 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.99 2waq s GLU 16 CO 0.20 -0.81 0.31 0.42 -0.54 0.00 0.00 175.26 174.83 2waq s ILE 17 N 1.57 5.26 -0.86 -3.70 1.01 -0.85 -1.73 121.20 121.90 2waq s ILE 17 Ca 0.04 0.50 0.01 0.00 0.00 0.00 0.00 60.65 61.20 2waq s ILE 17 Cb -0.18 -3.64 0.28 0.00 0.01 0.00 0.00 42.46 38.93 2waq s ILE 17 CO -0.16 0.28 1.11 1.21 0.00 0.00 0.00 174.94 177.39 2waq n GLU 18 N 4.46 3.50 0.00 2.79 2.13 -0.69 -2.05 120.64 130.79 2waq n GLU 18 Ca -0.11 -4.62 0.00 0.00 0.66 0.00 0.00 57.16 53.09 2waq n GLU 18 Cb 0.51 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.84 2waq n GLU 18 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2waq n GLY 19 N 1.08 0.00 3.58 8.31 0.00 -1.19 -3.60 105.19 113.37 2waq n GLY 19 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 2waq n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2waq s GLU 20 N 0.00 2.06 0.00 1.61 0.41 -1.26 -4.94 118.70 116.57 2waq s GLU 20 Ca 0.00 -1.48 0.00 0.00 -0.41 0.00 0.00 54.97 53.08 2waq s GLU 20 Cb 0.00 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.30 2waq s GLU 20 CO 0.00 0.37 0.00 -0.40 -0.49 0.00 0.00 175.26 174.74 2waq n ASP 21 N -0.58 0.00 0.25 -0.19 5.68 -1.26 -4.26 116.55 116.18 2waq n ASP 21 Ca -0.07 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.33 2waq n ASP 21 Cb 0.58 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.17 2waq n ASP 21 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2waq h HIS 22 N 0.00 0.00 0.17 2.11 3.86 -1.97 -1.10 115.15 118.22 2waq h HIS 22 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2waq h HIS 22 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2waq h HIS 22 CO 0.00 0.17 -0.10 1.15 0.86 0.00 0.00 177.93 180.01 2waq h THR 23 N 0.00 0.78 0.14 2.45 2.02 -2.00 -1.77 112.91 114.54 2waq h THR 23 Ca -0.00 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.84 2waq h THR 23 Cb 0.53 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2waq h THR 23 CO 0.02 0.00 -1.74 0.25 0.37 0.00 0.00 175.52 174.42 2waq h LEU 24 N -0.26 0.45 -0.49 2.58 5.85 -1.94 -3.30 115.31 118.19 2waq h LEU 24 Ca -0.02 -0.74 0.07 0.00 0.84 0.00 0.00 57.88 58.03 2waq h LEU 24 Cb 0.22 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 2waq h LEU 24 CO 0.02 1.64 0.16 1.23 -0.34 0.00 0.00 178.44 181.15 2waq h GLY 25 N 1.33 0.65 2.00 3.75 0.00 -1.24 -2.46 103.07 107.09 2waq h GLY 25 Ca -0.33 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 2waq h GLY 25 CO 0.14 -0.01 -0.54 -0.57 0.00 0.00 0.00 176.54 175.57 2waq h ASN 26 N 0.32 0.00 -0.09 0.19 -1.24 -1.49 -2.86 115.58 110.42 2waq h ASN 26 Ca 0.24 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.21 2waq h ASN 26 Cb 0.27 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 2waq h ASN 26 CO -0.26 0.54 -0.11 0.25 -1.29 0.00 0.00 177.43 176.56 2waq h LEU 27 N 0.00 0.25 -0.16 0.34 5.85 -1.53 -0.30 115.31 119.76 2waq h LEU 27 Ca -0.01 -0.51 -0.08 0.00 0.84 0.00 0.00 57.88 58.13 2waq h LEU 27 Cb 1.10 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2waq h LEU 27 CO 0.07 0.71 -0.22 0.40 -0.34 0.00 0.00 178.44 179.06 2waq h ILE 28 N -0.20 1.35 -0.04 4.05 2.04 -1.56 -1.88 117.51 121.28 2waq h ILE 28 Ca 0.01 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 2waq h ILE 28 Cb 0.64 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2waq h ILE 28 CO 0.03 0.42 -0.21 0.00 0.00 0.00 0.00 178.15 178.39 2waq h ALA 29 N 0.59 1.57 -0.01 1.87 0.00 -1.59 -2.56 119.26 119.13 2waq h ALA 29 Ca 0.02 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2waq h ALA 29 Cb 0.78 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2waq h ALA 29 CO 0.05 0.32 -0.78 0.78 0.00 0.00 0.00 179.25 179.61 2waq h GLY 30 N 0.73 0.15 -4.38 0.00 0.00 -0.97 -3.30 103.07 95.30 2waq h GLY 30 Ca 0.01 -0.25 -0.71 0.00 0.00 0.00 0.00 47.33 46.39 2waq h GLY 30 CO 0.03 0.22 0.83 2.41 0.00 0.00 0.00 176.54 180.03 2waq n THR 31 N -3.69 3.54 0.00 4.70 -1.04 -0.71 -4.18 114.28 112.89 2waq n THR 31 Ca -0.02 -3.56 0.00 0.00 -2.04 0.00 0.00 64.05 58.42 2waq n THR 31 Cb 0.75 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 2waq n THR 31 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2waq n LEU 32 N -0.75 0.14 -0.24 -4.42 4.77 -1.19 -4.68 117.00 110.64 2waq n LEU 32 Ca 0.58 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.66 2waq n LEU 32 Cb 0.51 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.98 2waq n LEU 32 CO 0.66 0.02 1.22 0.03 -1.33 0.00 0.00 177.39 177.99 2waq h ARG 33 N 0.00 0.68 -0.59 3.23 3.08 -1.73 -2.53 114.38 116.53 2waq h ARG 33 Ca 0.00 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2waq h ARG 33 Cb 0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 2waq h ARG 33 CO 0.00 0.45 0.09 0.87 -1.07 0.00 0.00 179.97 180.31 2waq h LYS 34 N 0.70 0.95 -6.57 0.04 1.57 -1.88 -3.45 116.57 107.94 2waq h LYS 34 Ca 0.40 -0.23 -0.53 0.00 -1.87 0.00 0.00 60.65 58.42 2waq h LYS 34 Cb 0.57 -0.12 0.03 0.00 0.08 0.00 0.00 32.23 32.79 2waq h LYS 34 CO -0.16 0.88 0.77 0.42 -0.57 0.00 0.00 179.45 180.79 2waq s ILE 35 N -5.15 3.09 0.09 1.86 1.01 -0.96 -4.95 121.20 116.19 2waq s ILE 35 Ca -0.11 0.79 -0.31 0.00 0.00 0.00 0.00 60.65 61.02 2waq s ILE 35 Cb 0.15 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 39.04 2waq s ILE 35 CO 0.83 0.06 1.43 -0.44 0.00 0.00 0.00 174.94 176.82 2waq s SER 36 N 1.10 6.79 0.00 3.58 0.01 -1.26 -2.69 113.70 121.23 2waq s SER 36 Ca 0.66 2.33 0.00 0.00 1.31 0.00 0.00 55.95 60.25 2waq s SER 36 Cb -0.39 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.26 2waq s SER 36 CO 0.31 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2waq n GLY 37 N 3.59 3.22 3.62 3.44 0.00 -1.26 -4.87 105.19 112.94 2waq n GLY 37 Ca 0.12 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 2waq n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2waq s VAL 38 N -0.09 3.72 -0.02 1.61 1.01 -1.09 -1.74 120.40 123.79 2waq s VAL 38 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 2waq s VAL 38 Cb 0.00 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 2waq s VAL 38 CO 0.00 -0.41 -0.01 -1.28 0.00 0.00 0.00 175.10 173.40 2waq h SER 39 N 11.03 0.00 -3.58 3.32 0.87 -1.04 -3.46 113.55 120.69 2waq h SER 39 Ca -0.32 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.55 2waq h SER 39 Cb 1.14 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 62.75 2waq h SER 39 CO 1.02 0.11 -0.61 0.12 -0.53 0.00 0.00 176.83 176.94 2waq s PHE 40 N -1.15 3.55 -0.19 2.24 5.36 -0.85 -4.97 117.98 121.98 2waq s PHE 40 Ca -0.01 -2.39 0.00 0.00 -0.96 0.00 0.00 56.93 53.57 2waq s PHE 40 Cb 0.00 -2.93 0.02 0.00 -0.34 0.00 0.00 43.02 39.77 2waq s PHE 40 CO 0.01 -0.93 -0.18 0.00 -1.46 0.00 0.00 175.22 172.66 2waq s ALA 41 N 1.13 2.39 0.23 11.12 0.00 -1.25 -1.59 121.76 133.78 2waq s ALA 41 Ca 0.06 -1.22 -0.13 0.00 0.00 0.00 0.00 51.96 50.66 2waq s ALA 41 Cb -0.21 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.66 2waq s ALA 41 CO -0.04 -0.37 0.47 -1.54 0.00 0.00 0.00 175.76 174.27 2waq s SER 42 N 1.31 -0.11 0.19 0.00 1.04 -0.70 -4.71 113.70 110.72 2waq s SER 42 Ca 0.05 -0.83 -0.00 0.00 0.48 0.00 0.00 55.95 55.65 2waq s SER 42 Cb -0.13 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 2waq s SER 42 CO -0.12 -1.10 0.10 -0.72 0.98 0.00 0.00 173.24 172.39 2waq s TYR 43 N -3.98 1.14 0.25 5.02 -0.85 -1.26 0.58 117.35 118.25 2waq s TYR 43 Ca 0.19 -1.29 -0.22 0.00 -0.52 0.00 0.00 57.07 55.23 2waq s TYR 43 Cb -0.00 -0.60 0.04 0.00 0.38 0.00 0.00 41.96 41.78 2waq s TYR 43 CO 0.05 -0.54 0.82 1.52 -1.52 0.00 0.00 175.55 175.88 2waq s TYR 44 N -4.04 -0.12 -0.18 -3.49 -0.85 -0.99 -4.99 117.35 102.68 2waq s TYR 44 Ca 0.34 -0.32 -0.04 0.00 -0.52 0.00 0.00 57.07 56.53 2waq s TYR 44 Cb 0.07 0.70 -0.02 0.00 0.38 0.00 0.00 41.96 43.09 2waq s TYR 44 CO 0.09 -1.14 -0.03 -1.14 -1.52 0.00 0.00 175.55 171.81 2waq s GLN 45 N -3.46 3.59 0.17 -3.49 0.74 -1.26 -2.29 119.66 113.66 2waq s GLN 45 Ca 0.12 -0.54 -0.15 0.00 0.05 0.00 0.00 55.36 54.84 2waq s GLN 45 Cb -0.04 -2.99 0.10 0.00 1.10 0.00 0.00 33.01 31.18 2waq s GLN 45 CO 0.06 0.07 1.76 -1.00 -0.55 0.00 0.00 175.29 175.63 2waq h PRO 46 N 7.26 0.32 -1.85 1.67 0.13 -1.89 -3.45 132.00 134.19 2waq h PRO 46 Ca -0.34 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.80 2waq h PRO 46 Cb 1.18 -0.07 -0.23 0.00 0.13 0.00 0.00 31.00 32.01 2waq h PRO 46 CO 0.61 0.21 0.16 -1.58 -0.23 0.00 0.00 178.00 177.18 2waq s HIS 47 N -6.15 -0.85 0.49 1.56 2.46 -1.26 -5.07 115.29 106.47 2waq s HIS 47 Ca -0.13 1.78 0.29 0.00 0.47 0.00 0.00 55.06 57.47 2waq s HIS 47 Cb 0.13 0.49 1.37 0.00 -0.13 0.00 0.00 32.58 34.43 2waq s HIS 47 CO 0.72 -0.42 1.82 -1.35 -2.47 0.00 0.00 174.74 173.04 2waq h PRO 48 N 6.21 0.14 -0.10 2.88 0.11 -1.97 -2.57 132.00 136.71 2waq h PRO 48 Ca -0.29 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.61 2waq h PRO 48 Cb 1.21 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.29 2waq h PRO 48 CO 0.15 0.10 -0.73 -0.07 -0.21 0.00 0.00 178.00 177.23 2waq h LEU 49 N 0.15 0.81 -8.91 2.35 3.38 -2.01 -3.43 115.31 107.65 2waq h LEU 49 Ca 0.54 -0.67 -0.63 0.00 0.09 0.00 0.00 57.88 57.21 2waq h LEU 49 Cb 1.84 -0.24 -0.15 0.00 0.09 0.00 0.00 40.66 42.20 2waq h LEU 49 CO -0.11 1.36 -0.20 0.42 0.09 0.00 0.00 178.44 179.99 2waq s THR 50 N -3.60 5.15 -1.27 0.22 -4.23 -0.97 -5.00 115.64 105.95 2waq s THR 50 Ca -0.11 0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 60.77 2waq s THR 50 Cb 0.07 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.17 2waq s THR 50 CO 0.88 0.10 2.02 -0.67 -0.54 0.00 0.00 174.62 176.41 2waq n ASP 51 N 5.39 3.84 -4.19 3.99 4.64 -1.26 -4.53 116.55 124.43 2waq n ASP 51 Ca -0.08 -2.82 -0.19 0.00 -1.38 0.00 0.00 54.79 50.32 2waq n ASP 51 Cb 0.50 -1.59 -0.12 0.00 -1.04 0.00 0.00 41.12 38.87 2waq n ASP 51 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2waq s LYS 52 N 4.10 0.88 0.05 -0.67 1.02 -1.26 -3.16 119.74 120.70 2waq s LYS 52 Ca 0.53 -0.97 0.04 0.00 0.02 0.00 0.00 55.97 55.58 2waq s LYS 52 Cb 0.10 -0.93 -0.03 0.00 -0.52 0.00 0.00 37.83 36.45 2waq s LYS 52 CO 0.01 0.21 -0.11 0.96 -0.92 0.00 0.00 175.35 175.50 2waq s ILE 53 N -1.22 0.84 -0.13 2.17 -4.36 -0.87 -4.06 121.20 113.58 2waq s ILE 53 Ca -0.00 -1.13 0.02 0.00 -0.26 0.00 0.00 60.65 59.27 2waq s ILE 53 Cb -0.10 -0.84 0.01 0.00 1.25 0.00 0.00 42.46 42.78 2waq s ILE 53 CO 0.02 -0.25 -0.18 -0.63 0.24 0.00 0.00 174.94 174.14 2waq s ILE 54 N -1.22 1.77 -0.07 8.37 1.01 -0.97 -2.00 121.20 128.08 2waq s ILE 54 Ca -0.05 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 2waq s ILE 54 Cb -0.09 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 2waq s ILE 54 CO 0.01 0.49 0.22 0.68 0.00 0.00 0.00 174.94 176.34 2waq s VAL 55 N 1.01 5.37 -0.37 2.92 -7.23 -0.96 -2.36 120.40 118.78 2waq s VAL 55 Ca -0.04 0.32 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 2waq s VAL 55 Cb -0.15 -3.50 0.10 0.00 0.56 0.00 0.00 36.38 33.40 2waq s VAL 55 CO -0.04 0.56 0.12 -0.54 -0.31 0.00 0.00 175.10 174.90 2waq s LYS 56 N -1.18 1.73 -0.22 4.82 1.02 0.20 -3.09 119.74 123.01 2waq s LYS 56 Ca 0.19 -1.85 -0.10 0.00 0.02 0.00 0.00 55.97 54.24 2waq s LYS 56 Cb -0.13 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 2waq s LYS 56 CO 0.08 -1.00 0.13 0.42 -0.92 0.00 0.00 175.35 174.06 2waq s ILE 57 N 1.01 5.19 -0.17 2.17 1.09 -1.02 -1.72 121.20 127.75 2waq s ILE 57 Ca 0.10 0.12 -0.03 0.00 -1.10 0.00 0.00 60.65 59.73 2waq s ILE 57 Cb -0.21 -3.39 0.05 0.00 -1.06 0.00 0.00 42.46 37.86 2waq s ILE 57 CO -0.06 0.39 0.03 -0.22 -0.10 0.00 0.00 174.94 174.99 2waq s LEU 58 N 0.77 1.02 0.17 2.97 2.96 -0.62 -1.36 118.68 124.59 2waq s LEU 58 Ca 0.07 -0.68 0.08 0.00 -0.22 0.00 0.00 54.13 53.37 2waq s LEU 58 Cb -0.13 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.98 2waq s LEU 58 CO 0.02 -0.29 -0.05 0.28 -1.32 0.00 0.00 176.35 174.99 2waq s THR 59 N 1.90 3.45 -0.44 3.68 -1.32 -1.12 -0.41 115.64 121.39 2waq s THR 59 Ca 0.00 -1.52 0.26 0.00 -1.21 0.00 0.00 61.69 59.22 2waq s THR 59 Cb -0.16 -2.72 0.32 0.00 -1.51 0.00 0.00 72.50 68.44 2waq s THR 59 CO -0.08 -0.09 1.73 -2.24 -2.21 0.00 0.00 174.62 171.73 2waq h ASP 60 N 2.86 0.00 0.00 8.08 -0.00 -1.64 -3.45 116.42 122.26 2waq h ASP 60 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.56 2waq h ASP 60 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.53 2waq h ASP 60 CO 0.56 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 180.41 2waq n GLY 61 N 0.86 1.26 0.27 7.15 0.00 -1.26 -5.02 105.19 108.45 2waq n GLY 61 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 2waq n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2waq h SER 62 N 0.00 -0.54 -3.21 1.61 0.02 -1.90 -3.42 113.55 106.11 2waq h SER 62 Ca 0.00 -0.02 -0.65 0.00 -0.84 0.00 0.00 61.79 60.29 2waq h SER 62 Cb 0.00 0.14 -0.10 0.00 0.14 0.00 0.00 62.40 62.58 2waq h SER 62 CO 0.00 -0.33 -0.61 -0.63 -1.14 0.00 0.00 176.83 174.12 2waq s ILE 63 N -5.77 4.46 0.48 3.27 1.01 -1.26 -5.11 121.20 118.28 2waq s ILE 63 Ca -0.16 -0.73 -0.23 0.00 0.00 0.00 0.00 60.65 59.54 2waq s ILE 63 Cb 0.04 -3.11 -0.07 0.00 0.01 0.00 0.00 42.46 39.32 2waq s ILE 63 CO 0.61 0.18 1.20 0.00 0.00 0.00 0.00 174.94 176.93 2waq s ALA 64 N -1.32 2.93 0.40 9.38 0.00 -1.26 -4.78 121.76 127.12 2waq s ALA 64 Ca 0.27 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.32 2waq s ALA 64 Cb -0.12 -3.42 0.87 0.00 0.00 0.00 0.00 23.12 20.46 2waq s ALA 64 CO 0.19 -0.80 2.01 -1.00 0.00 0.00 0.00 175.76 176.17 2waq h PRO 65 N 1.90 0.55 -0.18 0.00 0.13 -1.86 0.21 132.00 132.74 2waq h PRO 65 Ca -0.50 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.50 2waq h PRO 65 Cb 1.26 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2waq h PRO 65 CO 0.59 0.36 -0.26 0.87 -0.23 0.00 0.00 178.00 179.34 2waq h LYS 66 N 0.57 0.49 -0.06 0.86 1.57 -1.93 -3.20 116.57 114.87 2waq h LYS 66 Ca 0.22 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 2waq h LYS 66 Cb 0.18 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2waq h LYS 66 CO -0.06 0.89 -0.55 -0.44 -0.57 0.00 0.00 179.45 178.72 2waq h ASP 67 N 0.14 0.20 0.23 0.86 3.32 -1.77 -3.02 116.42 116.37 2waq h ASP 67 Ca 0.02 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 2waq h ASP 67 Cb 0.84 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 2waq h ASP 67 CO 0.06 0.71 -0.24 0.00 -1.72 0.00 0.00 179.24 178.05 2waq h ALA 68 N 1.30 1.56 -0.04 3.45 0.00 -0.68 -2.73 119.26 122.12 2waq h ALA 68 Ca -0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 2waq h ALA 68 Cb 1.01 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2waq h ALA 68 CO 0.08 0.33 -0.95 1.25 0.00 0.00 0.00 179.25 179.96 2waq h LEU 69 N 0.03 0.81 -0.63 0.00 5.85 -1.52 -3.12 115.31 116.73 2waq h LEU 69 Ca 0.00 -0.62 -0.06 0.00 0.84 0.00 0.00 57.88 58.05 2waq h LEU 69 Cb 0.45 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2waq h LEU 69 CO 0.03 1.41 0.18 -0.07 -0.34 0.00 0.00 178.44 179.66 2waq h LEU 70 N 0.39 0.94 -1.24 2.25 4.07 -1.44 -2.91 115.31 117.37 2waq h LEU 70 Ca -0.10 -0.22 -0.07 0.00 0.08 0.00 0.00 57.88 57.57 2waq h LEU 70 Cb 1.59 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 43.07 2waq h LEU 70 CO 0.18 0.91 -0.27 0.11 -1.08 0.00 0.00 178.44 178.29 2waq h LYS 71 N 0.92 0.17 -0.68 1.13 6.56 -1.57 -2.94 116.57 120.16 2waq h LYS 71 Ca 0.20 -0.06 -0.04 0.00 -1.06 0.00 0.00 60.65 59.70 2waq h LYS 71 Cb 0.32 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.94 2waq h LYS 71 CO -0.00 0.44 0.27 0.00 -2.06 0.00 0.00 179.45 178.10 2waq h ALA 72 N 1.57 0.89 -0.63 3.86 0.00 -1.44 -2.79 119.26 120.71 2waq h ALA 72 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2waq h ALA 72 Cb 0.57 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2waq h ALA 72 CO 0.04 0.51 0.27 0.82 0.00 0.00 0.00 179.25 180.89 2waq h ILE 73 N 0.97 1.22 -0.26 0.00 1.08 -1.41 -2.34 117.51 116.76 2waq h ILE 73 Ca 0.23 -0.65 -0.14 0.00 -0.39 0.00 0.00 64.86 63.92 2waq h ILE 73 Cb 0.21 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2waq h ILE 73 CO -0.02 0.26 -0.40 -0.08 -0.69 0.00 0.00 178.15 177.22 2waq h GLU 74 N 0.90 0.61 -0.70 2.37 4.22 -1.51 -0.32 114.58 120.15 2waq h GLU 74 Ca 0.22 -0.31 -0.02 0.00 0.08 0.00 0.00 59.36 59.32 2waq h GLU 74 Cb 0.14 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2waq h GLU 74 CO -0.02 0.91 0.34 1.15 -2.18 0.00 0.00 179.01 179.21 2waq h THR 75 N 0.51 1.22 -0.22 0.32 2.02 -1.18 0.06 112.91 115.64 2waq h THR 75 Ca 0.04 -0.62 -0.13 0.00 0.77 0.00 0.00 66.41 66.48 2waq h THR 75 Cb 0.91 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2waq h THR 75 CO 0.08 0.26 -0.35 0.58 0.37 0.00 0.00 175.52 176.46 2waq h VAL 76 N 0.99 1.32 -0.72 3.16 2.07 -1.19 -2.23 116.25 119.65 2waq h VAL 76 Ca 0.24 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 2waq h VAL 76 Cb 0.09 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2waq h VAL 76 CO -0.03 0.49 0.30 -0.09 0.02 0.00 0.00 177.57 178.26 2waq h ARG 77 N 0.33 1.05 -0.40 1.57 2.43 -0.63 1.23 114.38 119.96 2waq h ARG 77 Ca 0.02 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 58.92 2waq h ARG 77 Cb 0.94 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2waq h ARG 77 CO 0.08 0.84 -0.15 0.28 -1.51 0.00 0.00 179.97 179.52 2waq h VAL 78 N 1.04 1.26 -0.13 0.20 2.07 -1.04 -1.99 116.25 117.65 2waq h VAL 78 Ca 0.24 -1.20 -0.23 0.00 0.82 0.00 0.00 66.70 66.33 2waq h VAL 78 Cb 0.17 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2waq h VAL 78 CO -0.02 0.40 -0.82 -0.03 0.02 0.00 0.00 177.57 177.12 2waq h MET 79 N 0.65 0.79 -0.00 1.57 1.85 -0.61 -3.05 114.93 116.13 2waq h MET 79 Ca 0.11 -0.67 -0.18 0.00 -0.61 0.00 0.00 59.70 58.34 2waq h MET 79 Cb 0.62 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.78 2waq h MET 79 CO 0.04 1.27 -0.82 0.00 -0.40 0.00 0.00 176.91 177.00 2waq h ALA 80 N 0.53 0.60 -0.06 0.39 0.00 0.15 -2.68 119.26 118.19 2waq h ALA 80 Ca -0.07 -0.70 -0.18 0.00 0.00 0.00 0.00 54.91 53.96 2waq h ALA 80 Cb 1.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2waq h ALA 80 CO 0.17 0.91 -0.74 0.77 0.00 0.00 0.00 179.25 180.37 2waq h SER 81 N 0.09 0.38 0.75 0.00 0.02 -1.47 -2.86 113.55 110.46 2waq h SER 81 Ca -0.03 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2waq h SER 81 Cb 1.43 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 2waq h SER 81 CO 0.12 0.99 -0.15 -0.74 -1.14 0.00 0.00 176.83 175.91 2waq h HIS 82 N 0.21 0.00 -0.02 3.45 2.76 -1.47 -0.82 115.15 119.26 2waq h HIS 82 Ca -0.03 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 2waq h HIS 82 Cb 1.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.27 2waq h HIS 82 CO 0.04 0.15 -0.09 -0.92 -1.30 0.00 0.00 177.93 175.81 2waq h TYR 83 N 0.00 0.13 -0.96 5.26 3.20 -1.33 -2.58 116.97 120.69 2waq h TYR 83 Ca -0.00 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 2waq h TYR 83 Cb 0.57 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 2waq h TYR 83 CO 0.00 0.72 0.58 0.82 -1.64 0.00 0.00 178.16 178.64 2waq h ILE 84 N -0.49 1.26 -0.93 1.81 1.08 -1.31 -2.78 117.51 116.14 2waq h ILE 84 Ca -0.00 -0.56 0.02 0.00 -0.39 0.00 0.00 64.86 63.92 2waq h ILE 84 Cb 0.73 -0.10 -0.05 0.00 -3.07 0.00 0.00 36.82 34.33 2waq h ILE 84 CO 0.02 0.27 0.62 0.44 -0.69 0.00 0.00 178.15 178.81 2waq h ASP 85 N 1.32 1.05 0.27 1.72 5.19 -1.18 -1.22 116.42 123.56 2waq h ASP 85 Ca 0.34 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 2waq h ASP 85 Cb -0.07 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.19 2waq h ASP 85 CO -0.07 0.75 0.00 -0.62 -3.12 0.00 0.00 179.24 176.18 2waq n GLU 86 N -4.45 0.59 -0.02 3.56 1.02 -0.97 -3.74 120.64 116.62 2waq n GLU 86 Ca 0.11 0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.25 2waq n GLU 86 Cb 0.04 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 2waq n GLU 86 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2waq n ILE 87 N -1.16 0.26 -0.10 -3.67 5.41 -0.99 -4.38 119.36 114.74 2waq n ILE 87 Ca 0.16 -0.13 -0.08 0.00 1.00 0.00 0.00 62.75 63.70 2waq n ILE 87 Cb 0.16 -0.78 -0.01 0.00 -0.71 0.00 0.00 39.64 38.30 2waq n ILE 87 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2waq h LYS 88 N 0.00 0.39 0.00 0.38 1.57 -1.32 -2.26 116.57 115.32 2waq h LYS 88 Ca -0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2waq h LYS 88 Cb 1.19 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2waq h LYS 88 CO -0.01 0.26 -0.07 0.41 -0.57 0.00 0.00 179.45 179.47 2waq n GLY 89 N -1.19 -1.67 0.20 3.86 0.00 -1.25 -3.40 105.19 101.75 2waq n GLY 89 Ca -0.00 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2waq n GLY 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2waq h LEU 90 N 0.00 0.00 0.00 0.99 5.85 -1.63 -3.53 115.31 117.00 2waq h LEU 90 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2waq h LEU 90 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2waq h LEU 90 CO 0.00 0.15 0.00 0.35 -0.34 0.00 0.00 178.44 178.60