#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq n MET 2 N 0.00 -2.03 -2.19 0.03 2.00 -1.26 -4.82 117.12 108.85 2waq n MET 2 Ca 0.00 1.64 -0.42 0.00 0.00 0.00 0.00 57.70 58.92 2waq n MET 2 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 33.22 30.95 2waq n MET 2 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 2waq s ILE 3 N -4.07 3.25 0.01 2.02 -5.25 -1.26 -4.90 121.20 110.99 2waq s ILE 3 Ca 0.00 0.95 -0.30 0.00 -0.99 0.00 0.00 60.65 60.31 2waq s ILE 3 Cb 0.00 -3.61 -0.07 0.00 2.95 0.00 0.00 42.46 41.73 2waq s ILE 3 CO 0.00 0.11 1.76 -2.16 -1.79 0.00 0.00 174.94 172.85 2waq s PRO 4 N 0.54 4.17 0.10 0.37 0.04 -1.26 -4.79 135.00 134.16 2waq s PRO 4 Ca 0.61 2.37 -0.31 0.00 0.04 0.00 0.00 61.00 63.71 2waq s PRO 4 Cb -0.37 -3.94 -0.08 0.00 0.04 0.00 0.00 34.50 30.15 2waq s PRO 4 CO 0.34 -0.86 1.44 -1.50 0.04 0.00 0.00 177.00 176.47 2waq s ILE 5 N 3.81 3.24 0.15 0.56 2.07 -1.26 -3.95 121.20 125.83 2waq s ILE 5 Ca 0.78 0.84 0.00 0.00 -1.41 0.00 0.00 60.65 60.87 2waq s ILE 5 Cb -0.38 -3.54 0.00 0.00 0.13 0.00 0.00 42.46 38.67 2waq s ILE 5 CO 0.34 0.05 0.00 0.54 -1.91 0.00 0.00 174.94 173.96 2waq n ARG 6 N 4.36 -2.21 -2.22 3.50 1.74 -1.26 -4.89 116.66 115.69 2waq n ARG 6 Ca 0.13 1.63 -0.41 0.00 -0.77 0.00 0.00 57.85 58.43 2waq n ARG 6 Cb 0.42 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 2waq n ARG 6 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2waq h PHE 8 N 5.25 0.93 0.03 0.00 0.05 -1.91 -1.84 116.94 119.44 2waq h PHE 8 Ca -0.45 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.36 2waq h PHE 8 Cb 1.21 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 38.86 2waq h PHE 8 CO 0.62 0.43 -0.01 1.15 -0.18 0.00 0.00 178.31 180.31 2waq h THR 9 N 0.86 0.00 0.03 -1.55 2.02 -1.91 -3.42 112.91 108.94 2waq h THR 9 Ca 0.41 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 2waq h THR 9 Cb 0.42 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2waq h THR 9 CO -0.17 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.70 2waq n GLY 11 N 1.37 2.27 3.76 0.00 0.00 -0.69 -5.01 105.19 106.89 2waq n GLY 11 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2waq n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2waq s SER 12 N -1.87 5.21 0.60 1.61 1.04 -1.26 -4.38 113.70 114.65 2waq s SER 12 Ca 0.00 2.13 -0.19 0.00 0.48 0.00 0.00 55.95 58.37 2waq s SER 12 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2waq s SER 12 CO 0.00 -1.56 1.24 -0.76 0.98 0.00 0.00 173.24 173.13 2waq s LEU 13 N -4.49 3.66 0.00 2.42 1.02 -1.26 -1.28 118.68 118.74 2waq s LEU 13 Ca 0.70 2.47 0.00 0.00 0.02 0.00 0.00 54.13 57.33 2waq s LEU 13 Cb -0.23 -4.58 0.00 0.00 0.02 0.00 0.00 46.19 41.39 2waq s LEU 13 CO 0.37 -1.69 0.00 -0.38 0.02 0.00 0.00 176.35 174.66 2waq n ILE 14 N -1.62 0.00 -0.28 -0.59 2.08 -1.26 -4.77 119.36 112.92 2waq n ILE 14 Ca 0.14 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.49 2waq n ILE 14 Cb 0.49 -0.20 0.17 0.00 -0.75 0.00 0.00 39.64 39.35 2waq n ILE 14 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2waq h ALA 15 N 0.00 1.14 0.00 -1.39 0.00 -1.87 -2.06 119.26 115.08 2waq h ALA 15 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2waq h ALA 15 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2waq h ALA 15 CO 0.00 -0.00 -0.26 0.38 0.00 0.00 0.00 179.25 179.36 2waq h ASP 16 N 0.68 0.00 -0.55 0.00 2.03 -1.95 -3.12 116.42 113.52 2waq h ASP 16 Ca 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 2waq h ASP 16 Cb 0.45 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 2waq h ASP 16 CO -0.29 0.26 0.00 0.29 -1.03 0.00 0.00 179.24 178.48 2waq n LYS 17 N -4.02 4.63 -0.04 4.15 5.02 -0.78 -4.33 118.16 122.79 2waq n LYS 17 Ca -0.02 -2.98 -0.17 0.00 -2.02 0.00 0.00 58.31 53.12 2waq n LYS 17 Cb 0.33 -2.20 -0.13 0.00 -0.02 0.00 0.00 35.03 33.00 2waq n LYS 17 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 2waq h TRP 18 N 3.82 0.16 -0.48 2.13 7.01 -1.57 -3.32 115.95 123.70 2waq h TRP 18 Ca 0.00 -0.12 0.09 0.00 2.11 0.00 0.00 58.89 60.98 2waq h TRP 18 Cb 1.87 -0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 28.84 2waq h TRP 18 CO 1.02 1.17 -0.04 1.96 -2.79 0.00 0.00 178.44 179.76 2waq h GLN 19 N -0.80 0.07 -0.47 2.65 1.08 -1.81 -1.36 115.11 114.47 2waq h GLN 19 Ca -0.10 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 2waq h GLN 19 Cb 1.24 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.63 2waq h GLN 19 CO 0.02 0.05 0.16 -1.00 -0.95 0.00 0.00 178.83 177.10 2waq h PRO 20 N 0.07 0.69 0.29 1.46 0.13 -1.85 -2.86 132.00 129.94 2waq h PRO 20 Ca 0.24 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 2waq h PRO 20 Cb 0.36 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.38 2waq h PRO 20 CO -0.44 0.59 -0.14 0.35 -0.23 0.00 0.00 178.00 178.13 2waq h PHE 21 N 0.68 -0.37 0.00 1.56 3.57 -1.36 -2.89 116.94 118.13 2waq h PHE 21 Ca 0.16 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 2waq h PHE 21 Cb 0.18 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2waq h PHE 21 CO 0.01 -0.10 -0.48 -0.84 -2.23 0.00 0.00 178.31 174.67 2waq h ILE 22 N -0.60 1.26 -0.20 1.41 -0.00 -1.47 -2.44 117.51 115.47 2waq h ILE 22 Ca -0.04 -1.70 -0.11 0.00 -0.00 0.00 0.00 64.86 63.01 2waq h ILE 22 Cb 0.43 1.94 -0.01 0.00 -0.00 0.00 0.00 36.82 39.18 2waq h ILE 22 CO 0.07 0.47 -0.36 0.74 -0.00 0.00 0.00 178.15 179.07 2waq h THR 23 N 0.00 1.29 0.00 0.16 2.02 -1.52 -2.42 112.91 112.45 2waq h THR 23 Ca -0.00 -1.46 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 2waq h THR 23 Cb 0.90 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2waq h THR 23 CO 0.06 0.45 -0.94 0.03 0.37 0.00 0.00 175.52 175.49 2waq h ARG 24 N 0.36 0.00 0.13 6.66 3.08 -1.39 -3.24 114.38 119.97 2waq h ARG 24 Ca 0.04 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.84 2waq h ARG 24 Cb 0.80 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.88 2waq h ARG 24 CO 0.06 0.06 -1.06 0.28 -1.07 0.00 0.00 179.97 178.24 2waq h VAL 25 N 0.00 1.37 0.00 2.04 2.07 -1.41 -2.98 116.25 117.34 2waq h VAL 25 Ca -0.03 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 2waq h VAL 25 Cb 1.10 2.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.75 2waq h VAL 25 CO 0.01 0.73 -0.06 0.78 0.02 0.00 0.00 177.57 179.04 2waq h ASN 26 N 0.01 0.00 0.18 0.57 2.35 -1.56 -3.13 115.58 114.00 2waq h ASN 26 Ca -0.17 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2waq h ASN 26 Cb 1.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.16 2waq h ASN 26 CO 0.20 0.06 -0.09 0.00 -1.65 0.00 0.00 177.43 175.96 2waq h ALA 27 N 1.94 -0.25 0.00 -0.83 0.00 -1.61 -3.48 119.26 115.03 2waq h ALA 27 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2waq h ALA 27 Cb 0.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2waq h ALA 27 CO 0.01 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.31 2waq n GLY 28 N 0.38 -0.31 3.85 0.00 0.00 -1.18 -5.14 105.19 102.78 2waq n GLY 28 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2waq n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2waq s GLU 29 N 0.00 3.96 0.12 1.61 2.12 -1.13 -5.04 118.70 120.35 2waq s GLU 29 Ca 0.00 0.49 -0.31 0.00 0.36 0.00 0.00 54.97 55.51 2waq s GLU 29 Cb 0.00 -2.79 -0.09 0.00 0.26 0.00 0.00 34.13 31.51 2waq s GLU 29 CO 0.00 0.39 1.57 1.21 -0.54 0.00 0.00 175.26 177.89 2waq s ASN 30 N -1.95 6.63 0.55 -1.70 3.84 -1.26 -4.39 114.94 116.66 2waq s ASN 30 Ca 0.43 2.52 0.23 0.00 0.21 0.00 0.00 52.86 56.24 2waq s ASN 30 Cb -0.14 -2.58 1.45 0.00 -0.55 0.00 0.00 41.25 39.44 2waq s ASN 30 CO 0.20 -0.83 2.11 1.55 -2.79 0.00 0.00 177.10 177.34 2waq h PRO 31 N 7.42 0.00 -0.48 0.43 0.13 -1.94 -2.47 132.00 135.09 2waq h PRO 31 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2waq h PRO 31 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2waq h PRO 31 CO 0.91 0.00 0.31 0.78 -0.23 0.00 0.00 178.00 179.78 2waq h GLY 32 N 0.00 0.67 1.86 1.56 0.00 -2.01 -2.79 103.07 102.37 2waq h GLY 32 Ca 0.08 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 2waq h GLY 32 CO -0.00 0.25 -0.46 0.50 0.00 0.00 0.00 176.54 176.83 2waq h LYS 33 N 0.64 0.00 -0.38 4.80 1.57 -1.85 -3.19 116.57 118.17 2waq h LYS 33 Ca 0.17 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2waq h LYS 33 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2waq h LYS 33 CO -0.04 0.32 -0.04 0.28 -0.57 0.00 0.00 179.45 179.40 2waq h VAL 34 N 0.00 1.27 0.00 0.50 2.07 -1.39 -2.78 116.25 115.92 2waq h VAL 34 Ca -0.02 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 2waq h VAL 34 Cb 1.27 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2waq h VAL 34 CO 0.04 0.36 -0.28 -0.07 0.02 0.00 0.00 177.57 177.64 2waq h LEU 35 N 0.50 0.00 -0.15 2.57 3.38 -1.57 -2.72 115.31 117.32 2waq h LEU 35 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2waq h LEU 35 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2waq h LEU 35 CO 0.03 0.28 -0.10 0.44 0.09 0.00 0.00 178.44 179.18 2waq h ASP 36 N 0.00 0.00 0.79 -0.43 3.32 -1.52 -3.17 116.42 115.42 2waq h ASP 36 Ca -0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 2waq h ASP 36 Cb 0.82 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 2waq h ASP 36 CO 0.04 0.10 -1.17 -0.78 -1.72 0.00 0.00 179.24 175.71 2waq h ASP 37 N 0.00 0.19 -3.85 6.45 3.58 -1.21 -3.46 116.42 118.12 2waq h ASP 37 Ca -0.00 -0.21 -0.49 0.00 0.42 0.00 0.00 57.03 56.75 2waq h ASP 37 Cb 1.02 -0.06 0.06 0.00 1.72 0.00 0.00 39.33 42.07 2waq h ASP 37 CO 0.01 1.17 0.23 -0.76 -2.88 0.00 0.00 179.24 177.01 2waq s LEU 38 N -6.86 3.26 0.00 2.28 1.43 -1.05 -4.96 118.68 112.78 2waq s LEU 38 Ca -0.02 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2waq s LEU 38 Cb 0.09 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2waq s LEU 38 CO 0.85 -0.98 1.24 0.61 0.23 0.00 0.00 176.35 178.29 2waq n GLY 39 N -2.60 1.85 3.65 -3.19 0.00 -1.26 -4.86 105.19 98.76 2waq n GLY 39 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2waq n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2waq s VAL 40 N 0.36 4.52 0.00 1.61 1.01 -1.24 -4.99 120.40 121.66 2waq s VAL 40 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.76 2waq s VAL 40 Cb 0.00 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2waq s VAL 40 CO 0.00 -0.38 0.00 0.29 0.00 0.00 0.00 175.10 175.01 2waq n LYS 41 N 6.73 0.00 -1.61 2.72 4.76 -1.26 -4.86 118.16 124.64 2waq n LYS 41 Ca 0.12 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.27 2waq n LYS 41 Cb 0.47 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.84 2waq n LYS 41 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2waq s ARG 42 N 0.00 0.33 0.51 1.97 0.52 -1.26 -4.90 118.95 116.12 2waq s ARG 42 Ca 0.00 -0.13 0.30 0.00 -0.52 0.00 0.00 55.73 55.38 2waq s ARG 42 Cb 0.00 -1.78 0.99 0.00 0.52 0.00 0.00 34.95 34.67 2waq s ARG 42 CO 0.00 -2.66 1.85 0.10 0.02 0.00 0.00 175.30 174.60 2waq h TYR 43 N -1.83 0.00 -0.18 -0.53 -0.00 -1.98 -2.54 116.97 109.92 2waq h TYR 43 Ca -0.46 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.18 2waq h TYR 43 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.01 2waq h TYR 43 CO -1.00 0.00 -0.25 0.00 -0.00 0.00 0.00 178.16 176.91 2waq h ARG 46 N 0.00 0.63 -0.91 0.00 2.43 -1.34 -3.33 114.38 111.86 2waq h ARG 46 Ca -0.00 -0.85 0.20 0.00 -0.81 0.00 0.00 59.98 58.52 2waq h ARG 46 Cb 0.91 0.28 -0.12 0.00 -0.42 0.00 0.00 29.97 30.63 2waq h ARG 46 CO 0.01 1.39 0.46 -0.09 -1.51 0.00 0.00 179.97 180.23 2waq h ARG 47 N 0.28 0.51 -0.88 0.20 2.43 -1.14 -2.15 114.38 113.64 2waq h ARG 47 Ca -0.19 -0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.15 2waq h ARG 47 Cb 1.93 -0.11 -0.16 0.00 -0.42 0.00 0.00 29.97 31.21 2waq h ARG 47 CO 0.24 0.34 -0.08 0.52 -1.51 0.00 0.00 179.97 179.48 2waq h MET 48 N 0.52 0.03 0.20 0.20 2.86 -1.70 -2.24 114.93 114.81 2waq h MET 48 Ca 0.55 -0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.84 2waq h MET 48 Cb 0.97 -0.01 0.02 0.00 0.06 0.00 0.00 31.60 32.64 2waq h MET 48 CO -0.46 0.02 -1.68 -0.07 1.06 0.00 0.00 176.91 175.78 2waq h LEU 49 N 0.03 0.68 0.00 1.22 3.38 -1.60 -2.99 115.31 116.02 2waq h LEU 49 Ca 0.47 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2waq h LEU 49 Cb 0.84 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2waq h LEU 49 CO -0.84 1.76 0.00 0.18 0.09 0.00 0.00 178.44 179.63 2waq n LEU 50 N -3.62 0.00 0.00 1.67 4.77 -1.08 -2.86 117.00 115.89 2waq n LEU 50 Ca -0.23 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2waq n LEU 50 Cb 1.08 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2waq n LEU 50 CO 0.54 -0.22 0.33 -1.54 -1.33 0.00 0.00 177.39 175.17 2waq n SER 51 N -1.44 1.22 -4.81 -1.43 3.41 -0.87 -5.06 113.62 104.64 2waq n SER 51 Ca 0.04 -1.41 -0.35 0.00 -0.26 0.00 0.00 58.87 56.90 2waq n SER 51 Cb 0.16 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.04 2waq n SER 51 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2waq s HIS 52 N -0.41 3.51 -0.02 7.33 5.04 -1.13 -4.98 115.29 124.63 2waq s HIS 52 Ca 0.00 1.58 0.01 0.00 -1.54 0.00 0.00 55.06 55.10 2waq s HIS 52 Cb 0.00 -2.79 -0.02 0.00 0.04 0.00 0.00 32.58 29.81 2waq s HIS 52 CO 0.00 0.11 -0.01 -0.89 -2.34 0.00 0.00 174.74 171.61 2waq n ILE 53 N 0.06 0.15 -2.69 0.89 5.41 -1.26 -5.05 119.36 116.87 2waq n ILE 53 Ca 0.03 -0.07 -0.04 0.00 1.00 0.00 0.00 62.75 63.68 2waq n ILE 53 Cb 0.52 -0.72 0.02 0.00 -0.71 0.00 0.00 39.64 38.75 2waq n ILE 53 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2waq n ASP 54 N -2.40 -5.98 0.00 4.38 2.03 -1.26 -4.92 116.55 108.41 2waq n ASP 54 Ca -0.04 -0.21 0.09 0.00 0.52 0.00 0.00 54.79 55.15 2waq n ASP 54 Cb 0.56 -4.09 0.39 0.00 -0.72 0.00 0.00 41.12 37.25 2waq n ASP 54 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2waq n ILE 55 N -1.96 0.74 -0.34 5.18 -5.35 -1.26 -3.76 119.36 112.62 2waq n ILE 55 Ca -0.02 0.19 0.09 0.00 -0.27 0.00 0.00 62.75 62.74 2waq n ILE 55 Cb 0.53 -0.88 0.28 0.00 -1.74 0.00 0.00 39.64 37.84 2waq n ILE 55 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 2waq h ILE 56 N 0.00 0.88 0.00 7.28 2.10 -1.94 -2.01 117.51 123.82 2waq h ILE 56 Ca 0.00 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.63 2waq h ILE 56 Cb 0.30 -0.09 0.00 0.00 -1.09 0.00 0.00 36.82 35.93 2waq h ILE 56 CO 0.00 0.16 0.00 -1.54 -1.08 0.00 0.00 178.15 175.69 2waq n SER 57 N -4.61 0.68 -0.02 2.19 3.41 -1.25 -0.37 113.62 113.66 2waq n SER 57 Ca 0.19 -1.63 -0.02 0.00 -0.26 0.00 0.00 58.87 57.15 2waq n SER 57 Cb 0.40 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 2waq n SER 57 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2waq n GLU 58 N -0.01 2.15 0.07 4.33 1.02 -0.76 -4.69 120.64 122.75 2waq n GLU 58 Ca 0.00 0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.08 2waq n GLU 58 Cb 0.17 -1.07 -0.10 0.00 -0.02 0.00 0.00 31.44 30.42 2waq n GLU 58 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2waq h VAL 59 N 0.00 1.69 -1.01 2.62 2.07 -1.39 -3.38 116.25 116.85 2waq h VAL 59 Ca -0.08 -3.32 0.23 0.00 0.82 0.00 0.00 66.70 64.36 2waq h VAL 59 Cb 1.15 2.81 -0.11 0.00 -1.52 0.00 0.00 31.29 33.61 2waq h VAL 59 CO -0.00 0.95 0.61 -0.29 0.02 0.00 0.00 177.57 178.86 2waq h ILE 60 N 0.01 0.58 -1.25 4.57 6.09 -0.98 -2.85 117.51 123.68 2waq h ILE 60 Ca -0.02 -0.20 -0.70 0.00 -1.37 0.00 0.00 64.86 62.57 2waq h ILE 60 Cb 1.74 -0.07 -0.15 0.00 0.47 0.00 0.00 36.82 38.81 2waq h ILE 60 CO 0.13 0.11 1.83 0.00 -3.07 0.00 0.00 178.15 177.15 2waq n HIS 61 N -4.80 2.40 0.00 2.19 1.44 -1.26 -4.04 115.22 111.14 2waq n HIS 61 Ca 0.26 -2.60 0.00 0.00 -2.01 0.00 0.00 57.72 53.37 2waq n HIS 61 Cb 0.72 -1.67 0.00 0.00 0.12 0.00 0.00 29.99 29.17 2waq n HIS 61 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2waq n TYR 62 N 1.34 -0.07 -1.93 -1.40 4.01 -1.08 -5.14 117.16 112.89 2waq n TYR 62 Ca 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.32 2waq n TYR 62 Cb 0.31 0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 2waq n TYR 62 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2waq n THR 63 N -1.66 0.00 -0.79 -0.72 -1.04 -1.26 -5.23 114.28 103.58 2waq n THR 63 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2waq n THR 63 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2waq n THR 63 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29