#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpl h PRO 2 N 0.00 0.66 -6.49 0.03 0.13 -1.97 -3.46 132.00 120.90 1wpl h PRO 2 Ca 0.00 -0.82 -0.53 0.00 -0.87 0.00 0.00 66.00 63.78 1wpl h PRO 2 Cb 0.00 0.26 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 1wpl h PRO 2 CO 0.00 1.37 0.11 0.71 -0.23 0.00 0.00 178.00 179.96 1wpl s TYR 3 N -3.09 3.77 -0.00 1.56 1.51 -1.26 -0.77 117.35 119.06 1wpl s TYR 3 Ca -0.10 1.45 0.02 0.00 -1.01 0.00 0.00 57.07 57.43 1wpl s TYR 3 Cb 0.06 -2.65 -0.00 0.00 -0.11 0.00 0.00 41.96 39.26 1wpl s TYR 3 CO 0.93 0.45 -0.05 -1.17 -1.11 0.00 0.00 175.55 174.60 1wpl s LEU 4 N -1.53 2.02 -0.11 -1.29 2.96 -0.06 -5.01 118.68 115.66 1wpl s LEU 4 Ca 0.38 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1wpl s LEU 4 Cb -0.19 -0.24 0.02 0.00 0.50 0.00 0.00 46.19 46.27 1wpl s LEU 4 CO 0.23 0.05 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.42 1wpl s LEU 5 N -0.19 1.52 0.14 -0.68 1.43 -1.26 -0.79 118.68 118.85 1wpl s LEU 5 Ca 0.01 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 1wpl s LEU 5 Cb -0.02 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1wpl s LEU 5 CO -0.00 -0.04 -0.15 0.27 0.23 0.00 0.00 176.35 176.66 1wpl s ILE 6 N 1.30 1.47 0.20 -0.59 -4.36 -0.82 -4.42 121.20 113.97 1wpl s ILE 6 Ca -0.01 -1.84 -0.12 0.00 -0.26 0.00 0.00 60.65 58.42 1wpl s ILE 6 Cb -0.14 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.89 1wpl s ILE 6 CO -0.05 -0.44 0.40 -0.94 0.24 0.00 0.00 174.94 174.14 1wpl s SER 7 N -2.65 -0.07 -0.04 4.36 1.04 -0.28 -0.37 113.70 115.69 1wpl s SER 7 Ca 0.12 -0.82 -0.15 0.00 0.48 0.00 0.00 55.95 55.59 1wpl s SER 7 Cb -0.04 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1wpl s SER 7 CO 0.04 -1.01 0.34 0.28 0.98 0.00 0.00 173.24 173.87 1wpl s THR 8 N -3.97 0.04 0.13 2.02 -1.32 -0.46 0.35 115.64 112.43 1wpl s THR 8 Ca 0.18 -0.34 0.03 0.00 -1.21 0.00 0.00 61.69 60.34 1wpl s THR 8 Cb 0.01 -0.61 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 1wpl s THR 8 CO 0.03 -0.19 0.23 -1.10 -2.21 0.00 0.00 174.62 171.38 1wpl s GLN 9 N -0.98 3.30 0.00 7.08 -0.21 -1.26 -0.43 119.66 127.16 1wpl s GLN 9 Ca -0.10 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.65 1wpl s GLN 9 Cb -0.04 -2.90 0.00 0.00 1.00 0.00 0.00 33.01 31.07 1wpl s GLN 9 CO 0.04 0.53 0.00 -0.89 -2.12 0.00 0.00 175.29 172.85 1wpl n ILE 10 N -0.30 0.00 -5.20 1.08 5.41 0.13 -4.58 119.36 115.91 1wpl n ILE 10 Ca -0.07 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.36 1wpl n ILE 10 Cb 0.53 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.31 1wpl n ILE 10 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1wpl s ARG 11 N 0.00 2.45 0.21 0.38 1.81 -1.26 -4.97 118.95 117.57 1wpl s ARG 11 Ca 0.00 -0.87 0.16 0.00 -1.72 0.00 0.00 55.73 53.30 1wpl s ARG 11 Cb 0.00 -2.18 -0.00 0.00 -0.45 0.00 0.00 34.95 32.32 1wpl s ARG 11 CO 0.00 0.47 1.23 0.00 -0.68 0.00 0.00 175.30 176.31 1wpl h MET 12 N 5.81 0.00 -0.67 3.54 -0.00 -1.94 -3.34 114.93 118.32 1wpl h MET 12 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.33 1wpl h MET 12 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.76 1wpl h MET 12 CO 0.48 0.40 0.00 -0.85 -0.00 0.00 0.00 176.91 176.94 1wpl n GLU 13 N -3.09 0.76 -3.54 -0.10 0.00 -1.26 -4.14 120.64 109.27 1wpl n GLU 13 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.00 1wpl n GLU 13 Cb 0.76 -1.34 -0.05 0.00 0.00 0.00 0.00 31.44 30.81 1wpl n GLU 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wpl s VAL 14 N -1.12 0.02 0.00 3.84 0.11 -1.26 -4.92 120.40 117.08 1wpl s VAL 14 Ca 0.00 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1wpl s VAL 14 Cb 0.00 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1wpl s VAL 14 CO 0.00 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 1wpl n GLY 15 N 0.46 -0.54 3.83 6.54 0.00 -1.25 -4.66 105.19 109.55 1wpl n GLY 15 Ca -0.18 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 1wpl n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wpl s PRO 16 N -2.11 2.71 -0.16 1.61 0.04 -1.26 -4.98 135.00 130.86 1wpl s PRO 16 Ca 0.00 0.76 0.01 0.00 0.04 0.00 0.00 61.00 61.82 1wpl s PRO 16 Cb 0.00 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1wpl s PRO 16 CO 0.00 -1.21 -0.19 0.99 0.04 0.00 0.00 177.00 176.63 1wpl s THR 17 N -3.14 2.24 -0.03 1.26 2.01 0.04 -4.45 115.64 113.58 1wpl s THR 17 Ca 0.59 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 1wpl s THR 17 Cb -0.13 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1wpl s THR 17 CO 0.54 0.53 1.00 -0.04 -0.69 0.00 0.00 174.62 175.97 1wpl s MET 18 N 0.97 4.51 0.00 4.92 -1.94 0.15 -1.92 119.30 126.00 1wpl s MET 18 Ca -0.03 1.43 0.00 0.00 -1.71 0.00 0.00 55.69 55.38 1wpl s MET 18 Cb -0.15 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 33.21 1wpl s MET 18 CO -0.05 -0.14 0.79 1.33 -0.01 0.00 0.00 175.02 176.94 1wpl n VAL 19 N 4.09 0.62 0.00 -6.03 0.24 0.59 -1.12 118.33 116.72 1wpl n VAL 19 Ca 0.07 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1wpl n VAL 19 Cb 0.50 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 1wpl n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wpl n GLY 20 N -0.31 1.00 1.19 7.63 0.00 -1.15 -4.86 105.19 108.69 1wpl n GLY 20 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 1wpl n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wpl n ASP 21 N 0.00 1.21 -0.34 1.61 5.75 -1.26 -0.10 116.55 123.42 1wpl n ASP 21 Ca 0.00 -1.54 0.04 0.00 -0.01 0.00 0.00 54.79 53.27 1wpl n ASP 21 Cb 0.00 -0.06 0.18 0.00 -1.03 0.00 0.00 41.12 40.22 1wpl n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1wpl h GLU 22 N 0.00 0.99 -0.97 0.11 5.08 -1.96 -2.33 114.58 115.50 1wpl h GLU 22 Ca -0.10 -0.06 -0.30 0.00 -1.00 0.00 0.00 59.36 57.90 1wpl h GLU 22 Cb 0.39 -0.22 -0.18 0.00 0.50 0.00 0.00 28.75 29.24 1wpl h GLU 22 CO 0.15 0.65 0.38 0.72 -1.00 0.00 0.00 179.01 179.92 1wpl n HIS 23 N -4.60 1.90 -2.00 4.33 8.25 -1.26 -4.95 115.22 116.89 1wpl n HIS 23 Ca 0.15 -1.27 -0.31 0.00 -0.26 0.00 0.00 57.72 56.03 1wpl n HIS 23 Cb 0.25 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.69 1wpl n HIS 23 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wpl s SER 24 N -0.47 6.25 -0.26 0.41 0.01 -0.88 -4.94 113.70 113.83 1wpl s SER 24 Ca 0.36 1.49 -0.28 0.00 1.31 0.00 0.00 55.95 58.83 1wpl s SER 24 Cb 0.30 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1wpl s SER 24 CO 0.07 -0.85 2.14 -0.62 0.41 0.00 0.00 173.24 174.39 1wpl s ASP 25 N -3.79 5.48 0.30 2.44 -1.08 -1.26 -4.85 116.67 113.91 1wpl s ASP 25 Ca 0.57 1.71 0.04 0.00 -0.52 0.00 0.00 52.55 54.35 1wpl s ASP 25 Cb -0.11 -2.51 0.68 0.00 -1.46 0.00 0.00 42.92 39.51 1wpl s ASP 25 CO 0.47 -1.97 1.80 -0.65 0.52 0.00 0.00 175.17 175.34 1wpl h PRO 26 N 14.88 0.82 -0.25 4.34 0.11 -1.95 -0.19 132.00 149.76 1wpl h PRO 26 Ca -0.38 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1wpl h PRO 26 Cb 1.22 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1wpl h PRO 26 CO 0.99 0.54 -0.03 1.49 -0.21 0.00 0.00 178.00 180.78 1wpl h GLU 27 N 0.85 0.46 -0.57 1.05 4.81 -1.99 -1.23 114.58 117.95 1wpl h GLU 27 Ca 0.55 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1wpl h GLU 27 Cb 0.75 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1wpl h GLU 27 CO -0.34 0.66 0.32 1.25 -0.73 0.00 0.00 179.01 180.17 1wpl h LEU 28 N 0.21 0.71 -0.94 1.64 5.85 -1.73 0.11 115.31 121.16 1wpl h LEU 28 Ca 0.07 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1wpl h LEU 28 Cb 0.47 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1wpl h LEU 28 CO 0.02 0.59 0.62 0.24 -0.34 0.00 0.00 178.44 179.57 1wpl h MET 29 N 0.77 1.22 -0.44 1.25 2.86 -0.93 -1.53 114.93 118.13 1wpl h MET 29 Ca 0.20 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1wpl h MET 29 Cb 0.03 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 1wpl h MET 29 CO -0.03 0.81 -0.01 0.37 1.06 0.00 0.00 176.91 179.11 1wpl h GLN 30 N 1.26 0.79 -0.37 1.72 4.15 -0.55 -1.30 115.11 120.80 1wpl h GLN 30 Ca 0.35 -0.25 0.04 0.00 0.77 0.00 0.00 58.65 59.55 1wpl h GLN 30 Cb -0.12 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1wpl h GLN 30 CO -0.08 0.85 0.25 1.96 -1.93 0.00 0.00 178.83 179.88 1wpl h GLN 31 N 0.63 0.33 0.00 1.69 4.20 -0.12 0.15 115.11 122.00 1wpl h GLN 31 Ca 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1wpl h GLN 31 Cb 0.51 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1wpl h GLN 31 CO 0.02 0.22 -0.12 1.28 -0.67 0.00 0.00 178.83 179.56 1wpl n LEU 32 N -4.48 0.68 -0.05 1.46 4.77 -0.64 -4.92 117.00 113.82 1wpl n LEU 32 Ca 0.04 0.49 -0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1wpl n LEU 32 Cb 0.18 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1wpl n LEU 32 CO 0.35 -0.13 -0.01 0.61 -1.33 0.00 0.00 177.39 176.89 1wpl n GLY 33 N 1.35 0.36 3.82 -0.72 0.00 0.04 -4.98 105.19 105.05 1wpl n GLY 33 Ca 0.05 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 1wpl n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpl s ALA 34 N -2.02 3.38 0.28 4.61 0.00 -0.55 -4.82 121.76 122.64 1wpl s ALA 34 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.21 1wpl s ALA 34 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1wpl s ALA 34 CO 0.00 0.32 0.15 -1.12 0.00 0.00 0.00 175.76 175.10 1wpl s SER 35 N -1.74 5.10 -0.10 0.00 0.01 -0.55 -4.68 113.70 111.75 1wpl s SER 35 Ca 0.45 -0.47 -0.03 0.00 1.31 0.00 0.00 55.95 57.22 1wpl s SER 35 Cb -0.16 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.94 1wpl s SER 35 CO 0.21 -0.11 0.01 -0.75 0.41 0.00 0.00 173.24 173.01 1wpl s LYS 36 N -3.82 3.18 0.21 12.44 2.20 -1.26 -1.15 119.74 131.54 1wpl s LYS 36 Ca 0.34 -0.40 -0.15 0.00 -0.36 0.00 0.00 55.97 55.41 1wpl s LYS 36 Cb -0.06 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 1wpl s LYS 36 CO 0.23 0.62 0.47 -0.98 -0.36 0.00 0.00 175.35 175.33 1wpl s ARG 37 N -0.63 1.40 -0.37 4.03 1.70 0.05 -4.96 118.95 120.17 1wpl s ARG 37 Ca 0.10 -1.03 0.00 0.00 -0.47 0.00 0.00 55.73 54.34 1wpl s ARG 37 Cb -0.12 0.48 0.12 0.00 -0.57 0.00 0.00 34.95 34.87 1wpl s ARG 37 CO 0.02 -0.58 0.17 0.50 -1.08 0.00 0.00 175.30 174.34 1wpl s ARG 38 N -3.93 0.86 0.30 3.89 3.52 -1.26 -0.23 118.95 122.10 1wpl s ARG 38 Ca 0.14 -1.44 -0.29 0.00 -0.13 0.00 0.00 55.73 54.01 1wpl s ARG 38 Cb -0.00 -1.93 -0.11 0.00 -1.56 0.00 0.00 34.95 31.35 1wpl s ARG 38 CO 0.01 -1.10 1.46 0.08 -0.81 0.00 0.00 175.30 174.94 1wpl s VAL 39 N 1.07 2.40 -0.02 7.11 1.01 -1.26 -4.90 120.40 125.81 1wpl s VAL 39 Ca 0.14 0.36 -0.36 0.00 0.00 0.00 0.00 61.98 62.12 1wpl s VAL 39 Cb -0.21 -3.23 -0.14 0.00 0.00 0.00 0.00 36.38 32.80 1wpl s VAL 39 CO -0.11 0.07 1.65 -0.11 0.00 0.00 0.00 175.10 176.60 1wpl n LEU 40 N 1.60 2.76 0.00 3.92 0.00 -1.26 -1.12 117.00 122.90 1wpl n LEU 40 Ca 0.05 1.06 0.00 0.00 0.00 0.00 0.00 56.01 57.11 1wpl n LEU 40 Cb 0.40 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 42.51 1wpl n LEU 40 CO 0.62 -0.40 0.00 0.61 0.00 0.00 0.00 177.39 178.21 1wpl n GLY 41 N 3.69 1.71 3.83 -3.96 0.00 -1.26 -5.06 105.19 104.13 1wpl n GLY 41 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1wpl n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wpl s ASN 42 N -0.08 6.87 -0.85 1.61 0.01 -0.27 -4.99 114.94 117.23 1wpl s ASN 42 Ca 0.00 1.03 -0.00 0.00 -0.71 0.00 0.00 52.86 53.18 1wpl s ASN 42 Cb 0.00 -2.28 0.35 0.00 0.41 0.00 0.00 41.25 39.73 1wpl s ASN 42 CO 0.00 0.31 1.79 0.59 -1.51 0.00 0.00 177.10 178.28 1wpl n ASN 43 N 1.83 6.97 -3.56 -1.22 5.03 -1.26 -4.76 115.26 118.29 1wpl n ASN 43 Ca -0.13 -3.77 -0.06 0.00 0.87 0.00 0.00 54.58 51.49 1wpl n ASN 43 Cb 0.52 -1.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.25 1wpl n ASN 43 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1wpl s PHE 44 N -4.07 -0.22 0.26 3.10 -0.12 -1.26 -5.17 117.98 110.49 1wpl s PHE 44 Ca 0.47 0.18 -0.01 0.00 -0.05 0.00 0.00 56.93 57.51 1wpl s PHE 44 Cb 0.34 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 43.20 1wpl s PHE 44 CO -0.28 -0.33 0.46 0.71 -0.05 0.00 0.00 175.22 175.74 1wpl s TYR 45 N -2.48 3.48 0.04 3.49 1.51 -1.26 -4.55 117.35 117.58 1wpl s TYR 45 Ca 0.07 0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 56.49 1wpl s TYR 45 Cb -0.01 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1wpl s TYR 45 CO -0.06 0.28 0.02 -1.83 -1.11 0.00 0.00 175.55 172.85 1wpl s GLU 46 N -3.64 0.53 -0.12 -0.62 -1.05 0.68 -3.84 118.70 110.64 1wpl s GLU 46 Ca 0.40 -0.89 -0.02 0.00 -0.15 0.00 0.00 54.97 54.31 1wpl s GLU 46 Cb -0.10 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 1wpl s GLU 46 CO 0.31 -0.11 -0.04 0.71 0.95 0.00 0.00 175.26 177.08 1wpl s TYR 47 N -2.82 3.02 0.15 4.83 1.51 0.86 -0.77 117.35 124.14 1wpl s TYR 47 Ca -0.03 -0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 55.86 1wpl s TYR 47 Cb -0.00 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 1wpl s TYR 47 CO -0.06 0.15 0.14 1.52 -1.11 0.00 0.00 175.55 176.20 1wpl s TYR 48 N -0.17 0.75 0.03 2.71 -0.85 -0.30 -0.30 117.35 119.22 1wpl s TYR 48 Ca 0.03 -1.10 -0.01 0.00 -0.52 0.00 0.00 57.07 55.47 1wpl s TYR 48 Cb -0.13 -0.35 -0.03 0.00 0.38 0.00 0.00 41.96 41.84 1wpl s TYR 48 CO 0.02 -0.61 -0.01 0.14 -1.52 0.00 0.00 175.55 173.57 1wpl s VAL 49 N -4.04 0.16 -2.15 -3.49 -7.23 -0.81 -1.47 120.40 101.37 1wpl s VAL 49 Ca 0.24 -1.29 0.24 0.00 -1.81 0.00 0.00 61.98 59.36 1wpl s VAL 49 Cb 0.06 -0.84 0.61 0.00 0.56 0.00 0.00 36.38 36.77 1wpl s VAL 49 CO 0.03 -0.71 1.80 0.59 -0.31 0.00 0.00 175.10 176.50 1wpl n ASN 50 N 0.91 0.66 -4.82 4.85 3.02 -1.26 -0.78 115.26 117.84 1wpl n ASN 50 Ca -0.19 -1.40 -0.33 0.00 -0.03 0.00 0.00 54.58 52.62 1wpl n ASN 50 Cb 0.58 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.66 1wpl n ASN 50 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wpl s ASP 51 N -1.75 6.84 0.79 6.41 1.01 -1.26 -3.92 116.67 124.79 1wpl s ASP 51 Ca 0.35 1.71 -0.11 0.00 0.71 0.00 0.00 52.55 55.22 1wpl s ASP 51 Cb 0.18 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.63 1wpl s ASP 51 CO 0.28 -0.43 1.09 -2.84 0.21 0.00 0.00 175.17 173.48 1wpl s PRO 52 N -3.26 2.12 0.52 8.23 0.02 -1.26 -3.49 135.00 137.88 1wpl s PRO 52 Ca 0.62 1.05 0.18 0.00 0.02 0.00 0.00 61.00 62.87 1wpl s PRO 52 Cb -0.10 -1.89 1.28 0.00 0.02 0.00 0.00 34.50 33.81 1wpl s PRO 52 CO 0.15 -1.70 2.10 -1.00 -0.33 0.00 0.00 177.00 176.23 1wpl h PRO 53 N -1.17 0.03 -0.47 5.54 0.13 -1.83 -2.68 132.00 131.57 1wpl h PRO 53 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wpl h PRO 53 Cb 1.24 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1wpl h PRO 53 CO 0.53 0.02 0.30 -0.09 -0.23 0.00 0.00 178.00 178.53 1wpl h ARG 54 N 0.04 0.62 -0.74 0.86 2.43 -1.91 0.11 114.38 115.78 1wpl h ARG 54 Ca 0.08 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1wpl h ARG 54 Cb 0.26 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1wpl h ARG 54 CO -0.00 0.42 0.33 0.82 -1.51 0.00 0.00 179.97 180.03 1wpl h ILE 55 N 0.63 1.25 -0.10 1.20 1.08 -1.85 -1.87 117.51 117.84 1wpl h ILE 55 Ca 0.17 -0.73 -0.09 0.00 -0.39 0.00 0.00 64.86 63.82 1wpl h ILE 55 Cb -0.05 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.03 1wpl h ILE 55 CO -0.04 0.30 -0.34 0.58 -0.69 0.00 0.00 178.15 177.97 1wpl h VAL 56 N 1.06 1.28 -0.28 1.67 2.07 -1.21 -1.70 116.25 119.12 1wpl h VAL 56 Ca 0.25 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.35 1wpl h VAL 56 Cb 0.17 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1wpl h VAL 56 CO -0.03 0.40 -0.20 -0.07 0.02 0.00 0.00 177.57 177.69 1wpl h LEU 57 N 0.18 0.66 -0.79 2.57 3.38 -0.30 -1.86 115.31 119.15 1wpl h LEU 57 Ca 0.02 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1wpl h LEU 57 Cb 0.70 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1wpl h LEU 57 CO 0.05 0.96 0.44 0.44 0.09 0.00 0.00 178.44 180.42 1wpl h ASP 58 N 0.37 0.98 -0.81 -0.43 3.32 -1.12 -1.51 116.42 117.22 1wpl h ASP 58 Ca 0.05 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1wpl h ASP 58 Cb 0.75 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 1wpl h ASP 58 CO 0.05 0.79 0.46 0.11 -1.72 0.00 0.00 179.24 178.94 1wpl h LYS 59 N 1.09 1.13 0.00 3.56 1.57 -1.16 -1.93 116.57 120.83 1wpl h LYS 59 Ca 0.28 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1wpl h LYS 59 Cb 0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1wpl h LYS 59 CO -0.05 0.82 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.27 1wpl h LEU 60 N 1.14 0.00 -0.13 2.94 3.38 -0.84 -2.83 115.31 118.97 1wpl h LEU 60 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1wpl h LEU 60 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1wpl h LEU 60 CO -0.05 0.31 0.08 -0.08 0.09 0.00 0.00 178.44 178.79 1wpl h GLU 61 N 0.00 0.18 -0.21 1.13 4.57 -0.49 0.14 114.58 119.91 1wpl h GLU 61 Ca -0.00 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1wpl h GLU 61 Cb 0.82 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1wpl h GLU 61 CO 0.04 0.19 0.14 0.00 -1.18 0.00 0.00 179.01 178.20 1wpl n ARG 63 N -4.50 3.46 -2.54 0.00 3.00 -0.86 -4.92 116.66 110.31 1wpl n ARG 63 Ca 0.01 -2.08 -0.07 0.00 -0.01 0.00 0.00 57.85 55.71 1wpl n ARG 63 Cb 0.18 -1.95 0.01 0.00 0.00 0.00 0.00 32.46 30.71 1wpl n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wpl n GLY 64 N 0.52 0.35 3.66 -0.13 0.00 0.65 -5.00 105.19 105.23 1wpl n GLY 64 Ca 0.18 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 1wpl n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wpl s PHE 65 N -2.78 2.83 -0.00 1.61 0.40 0.45 -2.14 117.98 118.35 1wpl s PHE 65 Ca 0.10 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.32 1wpl s PHE 65 Cb -0.05 -1.38 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 1wpl s PHE 65 CO 0.13 0.51 -0.07 0.50 0.70 0.00 0.00 175.22 176.99 1wpl s ARG 66 N -2.89 0.59 -0.04 0.44 3.52 -0.45 -4.14 118.95 115.98 1wpl s ARG 66 Ca 0.27 -0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.29 1wpl s ARG 66 Cb -0.09 -0.56 -0.04 0.00 -1.56 0.00 0.00 34.95 32.69 1wpl s ARG 66 CO 0.18 0.15 1.33 0.08 -0.81 0.00 0.00 175.30 176.23 1wpl s VAL 67 N -0.22 3.96 -0.24 7.11 1.01 -1.26 -0.79 120.40 129.98 1wpl s VAL 67 Ca 0.02 1.29 0.02 0.00 0.00 0.00 0.00 61.98 63.32 1wpl s VAL 67 Cb -0.03 -3.83 -0.19 0.00 0.00 0.00 0.00 36.38 32.33 1wpl s VAL 67 CO -0.00 -0.02 -0.13 0.18 0.00 0.00 0.00 175.10 175.12 1wpl n LEU 68 N 5.59 2.76 -3.63 3.92 4.32 0.78 -4.94 117.00 125.81 1wpl n LEU 68 Ca 0.13 -0.09 -0.14 0.00 -0.02 0.00 0.00 56.01 55.89 1wpl n LEU 68 Cb 0.45 -0.85 -0.06 0.00 -1.62 0.00 0.00 43.42 41.33 1wpl n LEU 68 CO 0.57 0.90 0.22 -0.55 -1.22 0.00 0.00 177.39 177.31 1wpl s SER 69 N -6.52 -0.37 -0.01 -1.43 0.15 -1.07 -5.01 113.70 99.43 1wpl s SER 69 Ca -0.32 0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.48 1wpl s SER 69 Cb 0.09 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 1wpl s SER 69 CO 0.63 -0.66 -0.02 -0.32 1.20 0.00 0.00 173.24 174.07 1wpl s MET 70 N -2.23 0.29 0.17 5.44 1.75 -1.26 -0.19 119.30 123.27 1wpl s MET 70 Ca -0.07 -0.07 -0.08 0.00 -1.25 0.00 0.00 55.69 54.23 1wpl s MET 70 Cb -0.01 -0.33 -0.01 0.00 2.84 0.00 0.00 34.83 37.32 1wpl s MET 70 CO -0.00 0.01 0.26 -0.08 -0.65 0.00 0.00 175.02 174.56 1wpl s THR 71 N 0.23 0.06 -0.08 10.11 -1.32 -0.08 -4.99 115.64 119.56 1wpl s THR 71 Ca -0.02 -1.48 0.01 0.00 -1.21 0.00 0.00 61.69 59.00 1wpl s THR 71 Cb -0.05 -1.92 -0.02 0.00 -1.51 0.00 0.00 72.50 69.00 1wpl s THR 71 CO -0.01 -0.28 -0.11 -0.83 -2.21 0.00 0.00 174.62 171.18 1wpl s GLY 72 N -2.99 1.58 -0.21 6.08 0.00 -1.26 -0.25 107.32 110.28 1wpl s GLY 72 Ca 0.19 -0.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 1wpl s GLY 72 CO 0.01 -0.54 0.06 0.54 0.00 0.00 0.00 173.10 173.17 1wpl s VAL 73 N -0.39 0.35 0.00 1.40 0.11 0.14 -4.99 120.40 117.02 1wpl s VAL 73 Ca 0.05 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 1wpl s VAL 73 Cb -0.12 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1wpl s VAL 73 CO 0.02 -0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 1wpl n GLY 74 N 5.11 1.50 1.33 6.54 0.00 -1.26 -1.59 105.19 116.82 1wpl n GLY 74 Ca -0.08 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.50 1wpl n GLY 74 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wpl n GLN 75 N 12.75 3.56 -4.16 1.61 1.13 -1.26 -4.93 117.38 126.09 1wpl n GLN 75 Ca 0.00 -2.78 -0.35 0.00 -1.94 0.00 0.00 57.00 51.93 1wpl n GLN 75 Cb 0.00 -1.83 -0.09 0.00 0.11 0.00 0.00 30.24 28.43 1wpl n GLN 75 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1wpl s THR 76 N -2.00 4.68 -0.19 5.09 2.01 -0.62 0.22 115.64 124.83 1wpl s THR 76 Ca 0.45 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 1wpl s THR 76 Cb 0.31 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1wpl s THR 76 CO 0.19 0.55 0.09 -0.22 -0.69 0.00 0.00 174.62 174.54 1wpl s LEU 77 N -0.41 3.95 0.03 4.42 2.96 0.43 -0.69 118.68 129.38 1wpl s LEU 77 Ca 0.09 0.13 0.07 0.00 -0.22 0.00 0.00 54.13 54.20 1wpl s LEU 77 Cb -0.12 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1wpl s LEU 77 CO 0.02 0.17 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.32 1wpl s VAL 78 N 0.38 1.71 -0.07 1.68 1.01 0.65 -1.36 120.40 124.41 1wpl s VAL 78 Ca 0.05 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 60.90 1wpl s VAL 78 Cb -0.12 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 1wpl s VAL 78 CO -0.01 0.26 -0.21 0.26 0.00 0.00 0.00 175.10 175.41 1wpl s TRP 79 N -0.75 2.13 -0.33 5.22 0.51 0.50 -0.91 118.94 125.32 1wpl s TRP 79 Ca 0.08 -0.73 -0.07 0.00 -2.12 0.00 0.00 56.10 53.26 1wpl s TRP 79 Cb -0.09 -1.43 0.03 0.00 -0.81 0.00 0.00 33.47 31.17 1wpl s TRP 79 CO 0.01 -0.27 0.12 0.00 -0.51 0.00 0.00 176.95 176.30 1wpl s LEU 81 N 1.47 3.24 -0.01 0.00 1.02 0.03 -0.16 118.68 124.27 1wpl s LEU 81 Ca 0.01 -0.30 0.05 0.00 0.02 0.00 0.00 54.13 53.90 1wpl s LEU 81 Cb -0.19 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 1wpl s LEU 81 CO 0.03 0.17 -0.16 -2.28 0.02 0.00 0.00 176.35 174.13 1wpl s HIS 82 N -1.31 1.47 -0.76 0.29 2.46 0.03 -0.88 115.29 116.59 1wpl s HIS 82 Ca 0.24 -0.28 -0.26 0.00 0.47 0.00 0.00 55.06 55.23 1wpl s HIS 82 Cb -0.11 -0.94 -0.01 0.00 -0.13 0.00 0.00 32.58 31.39 1wpl s HIS 82 CO 0.16 -0.02 1.70 0.21 -2.47 0.00 0.00 174.74 174.32 1wpl s LYS 83 N -0.45 2.86 0.00 2.88 2.36 0.05 -1.33 119.74 126.10 1wpl s LYS 83 Ca 0.06 -0.01 0.00 0.00 -2.55 0.00 0.00 55.97 53.47 1wpl s LYS 83 Cb -0.06 -4.62 0.00 0.00 -1.05 0.00 0.00 37.83 32.09 1wpl s LYS 83 CO -0.00 -2.69 0.49 0.39 1.55 0.00 0.00 175.35 175.09