#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrk h TYR 5 N 0.00 0.00 -0.24 9.51 0.05 -2.01 -2.85 116.97 121.44 1wrk h TYR 5 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1wrk h TYR 5 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1wrk h TYR 5 CO 0.00 0.83 0.14 -0.22 -1.05 0.00 0.00 178.16 177.87 1wrk h LYS 6 N 0.00 0.31 0.71 4.88 3.64 -2.01 -2.99 116.57 121.11 1wrk h LYS 6 Ca -0.01 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1wrk h LYS 6 Cb 1.60 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.35 1wrk h LYS 6 CO 0.11 0.22 -0.34 0.00 -2.27 0.00 0.00 179.45 177.17 1wrk h ALA 7 N 1.84 -0.95 -0.81 5.00 0.00 -1.95 -3.03 119.26 119.36 1wrk h ALA 7 Ca 0.09 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.98 1wrk h ALA 7 Cb -0.02 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 1wrk h ALA 7 CO -0.02 -0.88 0.25 0.00 0.00 0.00 0.00 179.25 178.61 1wrk h ALA 8 N -1.26 1.15 -0.30 0.00 0.00 -1.51 -0.83 119.26 116.51 1wrk h ALA 8 Ca -0.10 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wrk h ALA 8 Cb 0.73 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1wrk h ALA 8 CO 0.16 -0.35 0.16 0.28 0.00 0.00 0.00 179.25 179.50 1wrk h VAL 9 N 0.31 1.13 0.00 0.00 2.07 -1.60 -1.40 116.25 116.76 1wrk h VAL 9 Ca 0.48 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1wrk h VAL 9 Cb 0.87 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1wrk h VAL 9 CO -0.53 0.13 -0.03 -0.08 0.02 0.00 0.00 177.57 177.08 1wrk h GLU 10 N 0.36 0.00 -0.05 1.57 4.57 -1.07 -0.47 114.58 119.49 1wrk h GLU 10 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1wrk h GLU 10 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1wrk h GLU 10 CO -0.02 0.03 0.00 1.04 -1.18 0.00 0.00 179.01 178.88 1wrk n GLN 11 N -3.84 1.12 -3.31 1.92 1.13 -0.50 -4.83 117.38 109.07 1wrk n GLN 11 Ca -0.03 -0.18 -0.37 0.00 -1.94 0.00 0.00 57.00 54.48 1wrk n GLN 11 Cb 0.12 -1.09 -0.06 0.00 0.11 0.00 0.00 30.24 29.31 1wrk n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wrk s LEU 12 N -1.12 4.44 0.51 1.08 1.43 -0.19 -5.06 118.68 119.78 1wrk s LEU 12 Ca 0.09 1.18 -0.02 0.00 -1.03 0.00 0.00 54.13 54.34 1wrk s LEU 12 Cb 0.04 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1wrk s LEU 12 CO 0.06 0.19 0.77 0.42 0.23 0.00 0.00 176.35 178.03 1wrk s THR 13 N -1.28 3.85 0.36 5.49 -4.23 -1.26 -4.88 115.64 113.69 1wrk s THR 13 Ca 0.33 -0.27 0.07 0.00 -1.18 0.00 0.00 61.69 60.64 1wrk s THR 13 Cb -0.17 -3.47 0.30 0.00 1.34 0.00 0.00 72.50 70.50 1wrk s THR 13 CO 0.19 -0.40 1.92 -0.08 -0.54 0.00 0.00 174.62 175.71 1wrk h GLU 14 N 0.14 0.73 0.33 3.99 4.81 -1.99 -1.07 114.58 121.51 1wrk h GLU 14 Ca -0.46 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1wrk h GLU 14 Cb 1.25 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1wrk h GLU 14 CO 0.59 0.48 -0.16 1.49 -0.73 0.00 0.00 179.01 180.68 1wrk h GLU 15 N 0.75 -0.42 0.18 1.92 4.81 -1.98 -0.59 114.58 119.24 1wrk h GLU 15 Ca 0.37 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1wrk h GLU 15 Cb 0.43 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1wrk h GLU 15 CO -0.14 -0.24 -0.22 1.96 -0.73 0.00 0.00 179.01 179.64 1wrk h GLN 16 N -0.51 -0.44 -1.00 1.92 4.20 -1.78 -0.76 115.11 116.74 1wrk h GLN 16 Ca -0.04 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.77 1wrk h GLN 16 Cb 0.38 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.19 1wrk h GLN 16 CO 0.07 -0.29 0.65 0.87 -0.67 0.00 0.00 178.83 179.46 1wrk h LYS 17 N -0.45 1.11 -0.03 1.46 1.57 -1.19 -1.13 116.57 117.89 1wrk h LYS 17 Ca 0.01 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1wrk h LYS 17 Cb 0.44 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1wrk h LYS 17 CO -0.08 0.73 -0.53 -0.91 -0.57 0.00 0.00 179.45 178.09 1wrk h ASN 18 N 1.14 0.10 -0.14 0.86 2.35 -0.81 0.66 115.58 119.75 1wrk h ASN 18 Ca 0.45 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 56.13 1wrk h ASN 18 Cb 0.24 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1wrk h ASN 18 CO -0.19 0.62 0.01 -0.33 -1.65 0.00 0.00 177.43 175.88 1wrk h GLU 19 N 0.07 0.24 -0.52 0.81 5.08 -0.08 -1.83 114.58 118.35 1wrk h GLU 19 Ca -0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1wrk h GLU 19 Cb 0.96 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1wrk h GLU 19 CO 0.07 0.45 0.07 0.74 -1.00 0.00 0.00 179.01 179.34 1wrk h PHE 20 N -0.01 0.88 -0.83 4.33 0.04 -1.04 -2.13 116.94 118.18 1wrk h PHE 20 Ca 0.04 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1wrk h PHE 20 Cb 0.34 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 1wrk h PHE 20 CO 0.03 0.77 0.40 -0.22 -0.60 0.00 0.00 178.31 178.69 1wrk h LYS 21 N 0.79 1.19 -0.56 1.51 1.63 -0.75 0.35 116.57 120.73 1wrk h LYS 21 Ca 0.16 -0.17 -0.09 0.00 -0.85 0.00 0.00 60.65 59.70 1wrk h LYS 21 Cb 0.38 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1wrk h LYS 21 CO 0.01 0.92 0.00 0.00 -3.45 0.00 0.00 179.45 176.93 1wrk h ALA 22 N 1.25 0.94 -0.21 5.00 0.00 -0.86 -0.46 119.26 124.92 1wrk h ALA 22 Ca 0.29 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1wrk h ALA 22 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wrk h ALA 22 CO -0.04 0.64 -0.12 0.00 0.00 0.00 0.00 179.25 179.73 1wrk h ALA 23 N 1.10 0.30 -0.42 0.00 0.00 -0.76 -2.89 119.26 116.59 1wrk h ALA 23 Ca 0.16 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1wrk h ALA 23 Cb 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1wrk h ALA 23 CO 0.03 0.16 0.10 0.35 0.00 0.00 0.00 179.25 179.88 1wrk h PHE 24 N 0.16 0.16 -0.39 0.00 3.57 -0.13 -1.39 116.94 118.91 1wrk h PHE 24 Ca 0.05 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1wrk h PHE 24 Cb 0.62 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 1wrk h PHE 24 CO 0.07 0.03 0.14 -0.44 -2.23 0.00 0.00 178.31 175.87 1wrk h ASP 25 N 0.23 0.14 0.31 0.41 3.45 -1.06 -1.43 116.42 118.48 1wrk h ASP 25 Ca 0.20 0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.62 1wrk h ASP 25 Cb 0.23 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1wrk h ASP 25 CO -0.25 0.12 -0.37 -0.29 -1.57 0.00 0.00 179.24 176.88 1wrk h ILE 26 N 0.29 1.28 -0.26 0.35 -0.00 -1.27 -2.97 117.51 114.93 1wrk h ILE 26 Ca 0.18 -1.32 -0.13 0.00 -0.00 0.00 0.00 64.86 63.59 1wrk h ILE 26 Cb 0.16 1.66 -0.01 0.00 -0.00 0.00 0.00 36.82 38.63 1wrk h ILE 26 CO -0.18 0.38 -0.40 -0.26 -0.00 0.00 0.00 178.15 177.69 1wrk h PHE 27 N 0.07 0.72 -0.24 2.19 0.04 -0.36 -3.06 116.94 116.29 1wrk h PHE 27 Ca 0.01 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1wrk h PHE 27 Cb 0.68 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1wrk h PHE 27 CO 0.00 0.91 0.00 1.33 -0.60 0.00 0.00 178.31 179.95 1wrk n VAL 28 N -4.03 0.96 -1.86 -0.55 0.24 -0.63 -4.88 118.33 107.58 1wrk n VAL 28 Ca -0.02 -0.52 -0.40 0.00 -2.04 0.00 0.00 64.34 61.36 1wrk n VAL 28 Cb 0.52 -0.29 0.01 0.00 -1.47 0.00 0.00 33.84 32.61 1wrk n VAL 28 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wrk s LEU 29 N -1.08 4.12 -1.32 1.34 1.43 -1.16 -1.52 118.68 120.49 1wrk s LEU 29 Ca 0.21 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 56.16 1wrk s LEU 29 Cb 0.15 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1wrk s LEU 29 CO 0.08 -1.12 0.00 0.61 0.23 0.00 0.00 176.35 176.14 1wrk n GLY 30 N 0.60 1.19 3.74 -3.19 0.00 -1.26 -4.93 105.19 101.34 1wrk n GLY 30 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1wrk n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrk s ALA 31 N -2.01 3.54 0.00 4.61 0.00 -0.57 -5.03 121.76 122.29 1wrk s ALA 31 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1wrk s ALA 31 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1wrk s ALA 31 CO 0.00 0.09 0.58 -1.91 0.00 0.00 0.00 175.76 174.52 1wrk n GLU 32 N 3.41 0.00 0.00 0.00 2.13 -1.26 -2.74 120.64 122.18 1wrk n GLU 32 Ca -0.09 0.46 0.05 0.00 0.66 0.00 0.00 57.16 58.23 1wrk n GLU 32 Cb 0.52 -1.08 0.28 0.00 0.27 0.00 0.00 31.44 31.42 1wrk n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1wrk n ASP 33 N -1.19 0.00 -0.90 4.31 5.68 -1.26 -4.85 116.55 118.34 1wrk n ASP 33 Ca 0.00 -1.37 -0.10 0.00 -0.50 0.00 0.00 54.79 52.82 1wrk n ASP 33 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1wrk n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wrk n GLY 34 N 0.45 0.87 3.45 6.12 0.00 -1.11 -5.01 105.19 109.95 1wrk n GLY 34 Ca 0.07 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 1wrk n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wrk s SER 35 N -2.80 2.70 -0.27 1.61 0.01 -1.26 -4.91 113.70 108.78 1wrk s SER 35 Ca 0.00 -1.26 -0.19 0.00 1.31 0.00 0.00 55.95 55.81 1wrk s SER 35 Cb 0.00 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1wrk s SER 35 CO 0.00 -0.44 0.56 -0.63 0.41 0.00 0.00 173.24 173.15 1wrk s ILE 36 N -3.09 5.02 0.48 1.44 1.01 0.35 -4.80 121.20 121.61 1wrk s ILE 36 Ca 0.32 0.93 0.05 0.00 0.00 0.00 0.00 60.65 61.95 1wrk s ILE 36 Cb 0.06 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.69 1wrk s ILE 36 CO 0.13 0.02 0.44 -1.54 0.00 0.00 0.00 174.94 174.00 1wrk n SER 37 N 5.65 2.32 0.06 3.58 3.41 -1.26 0.15 113.62 127.52 1wrk n SER 37 Ca -0.03 -2.54 0.08 0.00 -0.26 0.00 0.00 58.87 56.12 1wrk n SER 37 Cb 0.49 -0.13 0.52 0.00 -0.26 0.00 0.00 64.21 64.83 1wrk n SER 37 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1wrk h THR 38 N 0.49 1.01 0.52 6.66 1.35 -1.89 -0.94 112.91 120.12 1wrk h THR 38 Ca -0.28 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 65.44 1wrk h THR 38 Cb 1.09 0.65 0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1wrk h THR 38 CO 0.43 0.06 -0.25 0.50 -0.25 0.00 0.00 175.52 176.01 1wrk h LYS 39 N 0.34 -0.67 -0.39 4.72 3.64 -1.98 0.17 116.57 122.39 1wrk h LYS 39 Ca 0.14 0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1wrk h LYS 39 Cb 0.13 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1wrk h LYS 39 CO -0.03 -0.42 -0.15 0.93 -2.27 0.00 0.00 179.45 177.50 1wrk h GLU 40 N -0.75 0.71 -0.59 1.90 3.07 -1.81 -2.18 114.58 114.93 1wrk h GLU 40 Ca -0.07 -0.25 -0.10 0.00 -0.50 0.00 0.00 59.36 58.44 1wrk h GLU 40 Cb 0.56 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 1wrk h GLU 40 CO 0.12 0.83 -0.03 1.25 -1.40 0.00 0.00 179.01 179.78 1wrk h LEU 41 N 0.64 1.04 -0.32 1.33 5.85 -1.09 -2.43 115.31 120.33 1wrk h LEU 41 Ca 0.10 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1wrk h LEU 41 Cb 0.62 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1wrk h LEU 41 CO 0.04 1.11 0.12 1.23 -0.34 0.00 0.00 178.44 180.60 1wrk h GLY 42 N 0.98 0.51 0.76 3.75 0.00 -0.42 -1.82 103.07 106.83 1wrk h GLY 42 Ca 0.16 -0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1wrk h GLY 42 CO 0.04 0.27 0.53 1.70 0.00 0.00 0.00 176.54 179.07 1wrk h LYS 43 N 0.36 0.95 -0.25 4.80 3.64 -1.27 -0.10 116.57 124.69 1wrk h LYS 43 Ca 0.11 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1wrk h LYS 43 Cb 0.19 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1wrk h LYS 43 CO -0.01 0.63 -0.08 0.28 -2.27 0.00 0.00 179.45 178.00 1wrk h VAL 44 N 0.98 1.29 -0.21 2.00 2.07 -1.25 -1.28 116.25 119.85 1wrk h VAL 44 Ca 0.36 -1.11 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 1wrk h VAL 44 Cb 0.13 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1wrk h VAL 44 CO -0.16 0.35 -0.29 0.24 0.02 0.00 0.00 177.57 177.72 1wrk h MET 45 N 0.24 0.41 -0.31 1.57 2.86 -1.02 -2.55 114.93 116.14 1wrk h MET 45 Ca 0.06 -0.16 -0.16 0.00 -2.06 0.00 0.00 59.70 57.38 1wrk h MET 45 Cb 0.56 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1wrk h MET 45 CO 0.03 0.67 -0.45 0.00 1.06 0.00 0.00 176.91 178.22 1wrk h ARG 46 N 0.36 0.80 0.00 1.72 3.08 -0.91 0.11 114.38 119.53 1wrk h ARG 46 Ca 0.05 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1wrk h ARG 46 Cb 0.70 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1wrk h ARG 46 CO 0.05 1.08 0.00 0.00 -1.07 0.00 0.00 179.97 180.03 1wrk h MET 47 N 0.64 0.00 -0.71 0.04 -0.00 -0.99 0.72 114.93 114.63 1wrk h MET 47 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.61 1wrk h MET 47 Cb 1.02 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 32.54 1wrk h MET 47 CO 0.10 0.00 0.17 1.28 -0.00 0.00 0.00 176.91 178.46 1wrk n LEU 48 N -2.71 5.75 -0.07 -0.10 4.77 -0.91 -4.92 117.00 118.82 1wrk n LEU 48 Ca 0.00 -2.97 -0.01 0.00 -0.03 0.00 0.00 56.01 53.00 1wrk n LEU 48 Cb 0.20 -0.72 -0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1wrk n LEU 48 CO 0.21 0.72 -0.01 0.61 -1.33 0.00 0.00 177.39 177.59 1wrk n GLY 49 N 0.14 0.46 3.84 -0.72 0.00 0.25 -5.04 105.19 104.12 1wrk n GLY 49 Ca 0.34 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1wrk n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wrk s GLN 50 N -0.80 2.99 -0.44 1.61 -1.52 0.32 -4.98 119.66 116.83 1wrk s GLN 50 Ca 0.00 -0.98 0.08 0.00 -1.95 0.00 0.00 55.36 52.52 1wrk s GLN 50 Cb 0.00 -2.62 0.29 0.00 -0.22 0.00 0.00 33.01 30.45 1wrk s GLN 50 CO 0.00 0.42 0.66 0.09 -0.25 0.00 0.00 175.29 176.21 1wrk n ASN 51 N -1.01 1.36 -4.77 5.90 3.02 -1.26 -3.32 115.26 115.18 1wrk n ASN 51 Ca -0.08 -3.00 -0.38 0.00 -0.03 0.00 0.00 54.58 51.09 1wrk n ASN 51 Cb 0.57 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1wrk n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wrk s PRO 52 N -1.96 3.74 0.69 3.52 0.04 -1.26 -5.02 135.00 134.76 1wrk s PRO 52 Ca 0.39 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 63.30 1wrk s PRO 52 Cb 0.23 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1wrk s PRO 52 CO -0.09 -0.62 1.07 0.95 0.04 0.00 0.00 177.00 178.34 1wrk s THR 53 N -1.40 3.94 0.47 1.26 -4.23 -1.26 -4.85 115.64 109.56 1wrk s THR 53 Ca 0.62 0.63 0.18 0.00 -1.18 0.00 0.00 61.69 61.94 1wrk s THR 53 Cb -0.34 -3.49 0.35 0.00 1.34 0.00 0.00 72.50 70.36 1wrk s THR 53 CO 0.42 -0.82 1.99 -0.65 -0.54 0.00 0.00 174.62 175.02 1wrk h PRO 54 N -0.66 0.25 -0.27 3.99 0.11 -1.99 -1.45 132.00 131.98 1wrk h PRO 54 Ca -0.45 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 1wrk h PRO 54 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wrk h PRO 54 CO 0.60 0.17 -0.29 0.93 -0.21 0.00 0.00 178.00 179.20 1wrk h GLU 55 N 0.26 0.66 -0.67 1.05 3.07 -1.99 -2.16 114.58 114.80 1wrk h GLU 55 Ca 0.26 -0.36 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 1wrk h GLU 55 Cb 0.68 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.58 1wrk h GLU 55 CO -0.05 0.97 0.11 0.93 -1.40 0.00 0.00 179.01 179.56 1wrk h GLU 56 N 0.39 1.11 -0.66 2.33 5.08 -1.67 -1.93 114.58 119.22 1wrk h GLU 56 Ca 0.04 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1wrk h GLU 56 Cb 0.85 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1wrk h GLU 56 CO 0.07 1.02 0.13 -0.07 -1.00 0.00 0.00 179.01 179.16 1wrk h LEU 57 N 1.03 1.03 -0.86 1.33 3.38 -1.31 -1.10 115.31 118.81 1wrk h LEU 57 Ca 0.20 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1wrk h LEU 57 Cb 0.44 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1wrk h LEU 57 CO 0.01 1.01 -0.29 -0.61 0.09 0.00 0.00 178.44 178.66 1wrk h GLN 58 N 1.00 0.52 -0.38 1.13 5.75 -1.20 -2.28 115.11 119.64 1wrk h GLN 58 Ca 0.20 -0.21 -0.16 0.00 -0.15 0.00 0.00 58.65 58.34 1wrk h GLN 58 Cb 0.40 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1wrk h GLN 58 CO 0.01 0.75 -0.37 1.49 -2.65 0.00 0.00 178.83 178.07 1wrk h GLU 59 N 0.45 0.93 -0.77 1.69 4.81 -1.11 0.20 114.58 120.78 1wrk h GLU 59 Ca 0.06 -0.48 0.02 0.00 -0.13 0.00 0.00 59.36 58.82 1wrk h GLU 59 Cb 0.73 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 1wrk h GLU 59 CO 0.06 1.14 0.50 0.52 -0.73 0.00 0.00 179.01 180.50 1wrk h MET 60 N 0.75 0.98 -0.01 1.92 2.86 -1.03 -0.67 114.93 119.72 1wrk h MET 60 Ca 0.06 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1wrk h MET 60 Cb 0.96 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1wrk h MET 60 CO 0.09 0.65 -0.05 0.82 1.06 0.00 0.00 176.91 179.48 1wrk h ILE 61 N 1.01 1.50 -0.30 -1.22 2.04 -1.21 -3.28 117.51 116.06 1wrk h ILE 61 Ca 0.29 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.64 1wrk h ILE 61 Cb -0.07 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1wrk h ILE 61 CO -0.08 0.41 0.20 0.44 0.00 0.00 0.00 178.15 179.12 1wrk h ASP 62 N -0.57 0.20 -0.13 1.72 3.32 -0.44 -1.02 116.42 119.50 1wrk h ASP 62 Ca -0.00 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1wrk h ASP 62 Cb 0.70 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1wrk h ASP 62 CO 0.01 0.13 0.09 -0.08 -1.72 0.00 0.00 179.24 177.67 1wrk h GLU 63 N 0.23 0.09 -0.00 3.56 4.81 -1.17 -3.05 114.58 119.04 1wrk h GLU 63 Ca 0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1wrk h GLU 63 Cb 0.22 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1wrk h GLU 63 CO -0.02 0.06 -0.00 1.33 -0.73 0.00 0.00 179.01 179.64 1wrk n VAL 64 N -4.51 0.00 -2.34 0.32 0.24 -0.71 -4.90 118.33 106.43 1wrk n VAL 64 Ca -0.01 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.39 1wrk n VAL 64 Cb 0.14 1.08 -0.01 0.00 -1.47 0.00 0.00 33.84 33.58 1wrk n VAL 64 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1wrk n ASP 65 N 0.20 4.46 0.05 -1.34 4.64 -0.47 -4.78 116.55 119.32 1wrk n ASP 65 Ca 0.02 -2.87 -0.01 0.00 -1.38 0.00 0.00 54.79 50.55 1wrk n ASP 65 Cb 0.10 -1.71 0.29 0.00 -1.04 0.00 0.00 41.12 38.75 1wrk n ASP 65 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1wrk h GLU 66 N 7.59 0.40 -0.64 -0.67 4.39 -1.90 -2.98 114.58 120.78 1wrk h GLU 66 Ca 0.44 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1wrk h GLU 66 Cb 0.84 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1wrk h GLU 66 CO 1.52 0.55 0.00 -0.40 -1.16 0.00 0.00 179.01 179.52 1wrk n ASP 67 N -4.21 4.35 -3.35 1.42 5.75 -1.26 -4.96 116.55 114.29 1wrk n ASP 67 Ca 0.00 -2.49 -0.23 0.00 -0.01 0.00 0.00 54.79 52.06 1wrk n ASP 67 Cb 0.32 -0.57 -0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1wrk n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wrk n GLY 68 N 0.88 -0.49 0.12 6.12 0.00 -1.13 -4.85 105.19 105.84 1wrk n GLY 68 Ca 0.22 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.46 1wrk n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wrk h SER 69 N -0.99 0.00 0.00 1.61 4.64 -1.93 -3.46 113.55 113.42 1wrk h SER 69 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1wrk h SER 69 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1wrk h SER 69 CO 0.54 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 1wrk n GLY 70 N 1.24 0.80 3.21 -0.77 0.00 -1.26 -5.00 105.19 103.41 1wrk n GLY 70 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1wrk n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wrk s THR 71 N -3.16 0.35 -0.23 2.61 -4.23 -1.26 -4.71 115.64 105.00 1wrk s THR 71 Ca 0.00 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1wrk s THR 71 Cb 0.00 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.61 1wrk s THR 71 CO 0.00 -0.33 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.03 1wrk s VAL 72 N -3.89 3.46 0.70 2.29 1.01 0.12 -4.80 120.40 119.29 1wrk s VAL 72 Ca 0.28 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1wrk s VAL 72 Cb 0.07 -2.61 0.11 0.00 0.00 0.00 0.00 36.38 33.95 1wrk s VAL 72 CO 0.06 0.36 0.97 1.51 0.00 0.00 0.00 175.10 178.00 1wrk s ASP 73 N 1.48 4.48 0.15 3.32 3.84 -1.26 -0.50 116.67 128.18 1wrk s ASP 73 Ca 0.05 -0.21 -0.18 0.00 -0.00 0.00 0.00 52.55 52.21 1wrk s ASP 73 Cb -0.15 -0.26 0.04 0.00 -1.38 0.00 0.00 42.92 41.17 1wrk s ASP 73 CO -0.02 -1.76 1.72 0.15 -0.00 0.00 0.00 175.17 175.25 1wrk h PHE 74 N -0.49 0.01 -0.77 2.11 3.57 -1.98 0.30 116.94 119.69 1wrk h PHE 74 Ca -0.38 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.24 1wrk h PHE 74 Cb 1.27 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.98 1wrk h PHE 74 CO -0.10 -0.03 0.40 -0.44 -2.23 0.00 0.00 178.31 175.91 1wrk h ASP 75 N 0.11 0.53 0.64 0.41 3.45 -2.00 0.78 116.42 120.33 1wrk h ASP 75 Ca 0.14 0.06 -0.14 0.00 0.43 0.00 0.00 57.03 57.52 1wrk h ASP 75 Cb 0.18 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 1wrk h ASP 75 CO -0.23 0.29 -0.68 -0.33 -1.57 0.00 0.00 179.24 176.72 1wrk h GLU 76 N 0.66 0.03 -0.80 3.56 5.08 -1.74 -2.91 114.58 118.45 1wrk h GLU 76 Ca 0.39 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1wrk h GLU 76 Cb 0.43 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1wrk h GLU 76 CO -0.28 0.70 0.36 0.35 -1.00 0.00 0.00 179.01 179.13 1wrk h PHE 77 N 0.02 1.17 -0.68 4.33 3.57 0.17 -0.56 116.94 124.97 1wrk h PHE 77 Ca -0.01 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 1wrk h PHE 77 Cb 1.20 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1wrk h PHE 77 CO 0.00 0.87 0.31 -0.07 -2.23 0.00 0.00 178.31 177.19 1wrk h LEU 78 N 1.15 0.89 -0.87 0.59 3.38 -0.76 0.23 115.31 119.92 1wrk h LEU 78 Ca 0.27 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1wrk h LEU 78 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1wrk h LEU 78 CO -0.03 0.77 -0.40 0.58 0.09 0.00 0.00 178.44 179.45 1wrk h VAL 79 N 0.97 1.31 -0.31 1.22 2.07 -1.30 -1.28 116.25 118.93 1wrk h VAL 79 Ca 0.23 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 1wrk h VAL 79 Cb 0.13 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1wrk h VAL 79 CO -0.03 0.46 0.03 -0.03 0.02 0.00 0.00 177.57 178.02 1wrk h MET 80 N 0.29 0.53 0.03 1.57 1.85 -0.10 -0.75 114.93 118.35 1wrk h MET 80 Ca 0.03 -0.16 0.02 0.00 -0.61 0.00 0.00 59.70 58.98 1wrk h MET 80 Cb 0.83 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.78 1wrk h MET 80 CO 0.07 0.65 -0.15 0.52 -0.40 0.00 0.00 176.91 177.60 1wrk h MET 81 N 0.35 -0.25 -0.26 0.39 2.07 -0.74 -2.99 114.93 113.50 1wrk h MET 81 Ca 0.09 0.02 0.06 0.00 -2.07 0.00 0.00 59.70 57.80 1wrk h MET 81 Cb 0.39 0.06 -0.07 0.00 -1.87 0.00 0.00 31.60 30.11 1wrk h MET 81 CO 0.01 -0.17 -0.26 0.28 1.07 0.00 0.00 176.91 177.84 1wrk h VAL 82 N -0.26 0.36 0.00 -2.22 2.07 -1.06 -3.31 116.25 111.82 1wrk h VAL 82 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1wrk h VAL 82 Cb 0.31 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1wrk h VAL 82 CO -0.12 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.01 1wrk n ARG 83 N -5.39 0.00 0.00 1.57 1.74 -0.30 -5.10 116.66 109.18 1wrk n ARG 83 Ca -0.01 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1wrk n ARG 83 Cb 0.30 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1wrk n ARG 83 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56