#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 -6.50 0.03 0.13 -1.97 -3.46 132.00 120.90 1wpl h PRO 2 Ca 0.00 -0.78 -0.53 0.00 -0.87 0.00 0.00 66.00 63.82 1wpl h PRO 2 Cb 0.00 0.24 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 1wpl h PRO 2 CO 0.00 1.34 0.13 0.71 -0.23 0.00 0.00 178.00 179.95 1wpl s TYR 3 N -3.18 3.82 0.01 1.56 1.51 -1.26 -0.56 117.35 119.25 1wpl s TYR 3 Ca -0.09 1.52 0.02 0.00 -1.01 0.00 0.00 57.07 57.50 1wpl s TYR 3 Cb 0.06 -2.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.21 1wpl s TYR 3 CO 0.93 0.47 -0.06 -1.17 -1.11 0.00 0.00 175.55 174.61 1wpl s LEU 4 N -1.38 2.10 -0.12 -1.29 2.96 0.11 -5.01 118.68 116.05 1wpl s LEU 4 Ca 0.37 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1wpl s LEU 4 Cb -0.21 -0.22 0.03 0.00 0.50 0.00 0.00 46.19 46.29 1wpl s LEU 4 CO 0.24 -0.04 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.40 1wpl s LEU 5 N -0.65 1.18 0.18 -0.68 1.43 -1.26 -0.85 118.68 118.02 1wpl s LEU 5 Ca -0.03 -0.32 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1wpl s LEU 5 Cb -0.05 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1wpl s LEU 5 CO -0.00 -0.13 -0.17 0.27 0.23 0.00 0.00 176.35 176.55 1wpl s ILE 6 N 1.72 1.80 0.19 -0.59 -4.36 -0.73 -4.39 121.20 114.85 1wpl s ILE 6 Ca 0.05 -2.05 -0.14 0.00 -0.26 0.00 0.00 60.65 58.25 1wpl s ILE 6 Cb -0.13 -1.93 0.01 0.00 1.25 0.00 0.00 42.46 41.66 1wpl s ILE 6 CO -0.08 -0.44 0.43 -0.94 0.24 0.00 0.00 174.94 174.16 1wpl s SER 7 N -2.96 -0.13 -0.04 4.36 1.04 -0.19 -0.44 113.70 115.34 1wpl s SER 7 Ca 0.19 -0.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.79 1wpl s SER 7 Cb -0.04 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1wpl s SER 7 CO 0.07 -1.02 0.30 0.28 0.98 0.00 0.00 173.24 173.85 1wpl s THR 8 N -3.93 0.04 0.14 2.02 -1.32 -0.37 0.37 115.64 112.59 1wpl s THR 8 Ca 0.14 -0.36 0.02 0.00 -1.21 0.00 0.00 61.69 60.29 1wpl s THR 8 Cb 0.00 -0.55 -0.04 0.00 -1.51 0.00 0.00 72.50 70.40 1wpl s THR 8 CO 0.00 -0.20 0.26 -1.10 -2.21 0.00 0.00 174.62 171.38 1wpl s GLN 9 N -0.91 3.40 0.00 7.08 -0.21 -1.26 -0.50 119.66 127.26 1wpl s GLN 9 Ca -0.10 -0.59 0.00 0.00 0.02 0.00 0.00 55.36 54.69 1wpl s GLN 9 Cb -0.05 -2.96 0.00 0.00 1.00 0.00 0.00 33.01 31.01 1wpl s GLN 9 CO 0.03 0.53 0.00 -0.89 -2.12 0.00 0.00 175.29 172.84 1wpl n ILE 10 N -0.42 0.00 -5.18 1.08 5.41 0.13 -4.55 119.36 115.83 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 0.54 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.30 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 2.83 0.32 0.38 1.81 -1.26 -4.97 118.95 118.06 1wpl s ARG 11 Ca 0.00 -0.86 0.17 0.00 -1.72 0.00 0.00 55.73 53.32 1wpl s ARG 11 Cb 0.00 -2.27 0.16 0.00 -0.45 0.00 0.00 34.95 32.39 1wpl s ARG 11 CO 0.00 0.30 1.50 0.00 -0.68 0.00 0.00 175.30 176.41 1wpl h MET 12 N 6.35 0.00 -0.44 3.54 -0.00 -1.94 -3.33 114.93 119.12 1wpl h MET 12 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.43 1wpl h MET 12 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.80 1wpl h MET 12 CO 0.48 0.38 0.00 -0.85 -0.00 0.00 0.00 176.91 176.92 1wpl n GLU 13 N -3.20 0.79 -3.61 -0.10 0.00 -1.26 -4.15 120.64 109.10 1wpl n GLU 13 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.06 1wpl n GLU 13 Cb 0.68 -1.22 -0.05 0.00 0.00 0.00 0.00 31.44 30.84 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 -1.45 0.05 0.00 3.84 0.11 -1.25 -4.90 120.40 116.80 1wpl s VAL 14 Ca 0.00 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 1wpl s VAL 14 Cb 0.00 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1wpl s VAL 14 CO 0.00 -0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.17 1wpl n GLY 15 N 0.27 -0.32 3.80 6.54 0.00 -1.25 -4.64 105.19 109.59 1wpl n GLY 15 Ca -0.18 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.09 2.08 -0.14 1.61 0.04 -1.26 -4.98 135.00 130.25 1wpl s PRO 16 Ca 0.00 0.65 0.02 0.00 0.04 0.00 0.00 61.00 61.71 1wpl s PRO 16 Cb 0.00 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1wpl s PRO 16 CO 0.00 -1.63 -0.20 0.99 0.04 0.00 0.00 177.00 176.20 1wpl s THR 17 N -3.15 1.89 -0.01 1.26 2.01 0.15 -4.48 115.64 113.32 1wpl s THR 17 Ca 0.61 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.43 1wpl s THR 17 Cb -0.14 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1wpl s THR 17 CO 0.54 0.52 0.99 -0.04 -0.69 0.00 0.00 174.62 175.94 1wpl s MET 18 N 0.94 4.54 0.00 4.92 -1.94 0.16 -1.79 119.30 126.13 1wpl s MET 18 Ca -0.05 1.43 0.00 0.00 -1.71 0.00 0.00 55.69 55.36 1wpl s MET 18 Cb -0.15 -3.46 0.00 0.00 2.01 0.00 0.00 34.83 33.23 1wpl s MET 18 CO -0.03 -0.08 0.86 1.33 -0.01 0.00 0.00 175.02 177.08 1wpl n VAL 19 N 3.97 0.73 0.00 -6.03 0.24 0.13 -1.02 118.33 116.35 1wpl n VAL 19 Ca 0.06 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1wpl n VAL 19 Cb 0.51 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 -0.37 1.34 1.82 7.63 0.00 -1.18 -4.87 105.19 109.56 1wpl n GLY 20 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 1.48 -0.36 1.61 5.75 -1.26 -0.11 116.55 123.66 1wpl n ASP 21 Ca 0.00 -1.83 0.06 0.00 -0.01 0.00 0.00 54.79 53.02 1wpl n ASP 21 Cb 0.00 -0.10 0.23 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 0.98 -0.95 0.11 5.08 -1.95 -2.19 114.58 115.65 1wpl h GLU 22 Ca -0.15 -0.06 -0.26 0.00 -1.00 0.00 0.00 59.36 57.89 1wpl h GLU 22 Cb 0.60 -0.22 -0.16 0.00 0.50 0.00 0.00 28.75 29.47 1wpl h GLU 22 CO 0.23 0.65 0.33 0.72 -1.00 0.00 0.00 179.01 179.93 1wpl n HIS 23 N -4.61 1.78 -2.03 4.33 8.25 -1.26 -4.95 115.22 116.72 1wpl n HIS 23 Ca 0.18 -1.17 -0.31 0.00 -0.26 0.00 0.00 57.72 56.16 1wpl n HIS 23 Cb 0.33 -0.62 -0.00 0.00 1.12 0.00 0.00 29.99 30.82 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 -0.42 6.32 -0.21 0.41 0.01 -0.82 -4.94 113.70 114.04 1wpl s SER 24 Ca 0.35 1.48 -0.28 0.00 1.31 0.00 0.00 55.95 58.81 1wpl s SER 24 Cb 0.29 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 1wpl s SER 24 CO 0.07 -0.81 2.17 -0.62 0.41 0.00 0.00 173.24 174.47 1wpl s ASP 25 N -3.78 5.55 0.34 2.44 -1.08 -1.26 -4.85 116.67 114.03 1wpl s ASP 25 Ca 0.57 1.90 0.06 0.00 -0.52 0.00 0.00 52.55 54.55 1wpl s ASP 25 Cb -0.11 -2.51 0.72 0.00 -1.46 0.00 0.00 42.92 39.56 1wpl s ASP 25 CO 0.46 -1.88 1.90 -0.65 0.52 0.00 0.00 175.17 175.52 1wpl h PRO 26 N 14.62 0.78 -0.18 4.34 0.11 -1.95 -0.31 132.00 149.40 1wpl h PRO 26 Ca -0.41 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1wpl h PRO 26 Cb 1.23 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1wpl h PRO 26 CO 0.96 0.52 -0.08 1.49 -0.21 0.00 0.00 178.00 180.68 1wpl h GLU 27 N 0.80 0.37 -0.68 1.05 4.81 -1.99 -1.13 114.58 117.82 1wpl h GLU 27 Ca 0.41 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1wpl h GLU 27 Cb 0.48 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1wpl h GLU 27 CO -0.17 0.67 0.42 1.25 -0.73 0.00 0.00 179.01 180.44 1wpl h LEU 28 N 0.06 0.81 -0.81 1.64 5.85 -1.80 0.10 115.31 121.16 1wpl h LEU 28 Ca 0.04 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1wpl h LEU 28 Cb 0.55 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1wpl h LEU 28 CO 0.02 0.62 0.53 0.24 -0.34 0.00 0.00 178.44 179.52 1wpl h MET 29 N 0.92 1.05 -0.51 1.25 2.86 -0.96 -1.58 114.93 117.95 1wpl h MET 29 Ca 0.24 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1wpl h MET 29 Cb -0.04 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.36 1wpl h MET 29 CO -0.05 0.69 0.06 0.37 1.06 0.00 0.00 176.91 179.05 1wpl h GLN 30 N 1.08 0.87 -0.29 1.72 4.15 -0.40 -1.53 115.11 120.71 1wpl h GLN 30 Ca 0.30 -0.24 0.03 0.00 0.77 0.00 0.00 58.65 59.50 1wpl h GLN 30 Cb -0.10 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 1wpl h GLN 30 CO -0.07 0.86 0.19 1.96 -1.93 0.00 0.00 178.83 179.85 1wpl h GLN 31 N 0.74 0.27 0.00 1.69 4.20 -0.19 -0.24 115.11 121.58 1wpl h GLN 31 Ca 0.15 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1wpl h GLN 31 Cb 0.43 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wpl h GLN 31 CO 0.01 0.18 -0.16 1.28 -0.67 0.00 0.00 178.83 179.48 1wpl n LEU 32 N -4.49 0.67 0.00 1.46 4.77 -0.65 -4.92 117.00 113.83 1wpl n LEU 32 Ca 0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1wpl n LEU 32 Cb 0.15 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1wpl n LEU 32 CO 0.35 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1wpl n GLY 33 N 1.35 0.39 3.80 -0.72 0.00 -0.10 -4.98 105.19 104.93 1wpl n GLY 33 Ca 0.05 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.00 3.25 0.25 4.61 0.00 -0.63 -4.84 121.76 122.40 1wpl s ALA 34 Ca 0.00 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.41 1wpl s ALA 34 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1wpl s ALA 34 CO 0.00 0.22 0.09 -1.12 0.00 0.00 0.00 175.76 174.95 1wpl s SER 35 N -1.77 5.03 -0.10 0.00 0.01 -0.53 -4.69 113.70 111.65 1wpl s SER 35 Ca 0.50 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 57.30 1wpl s SER 35 Cb -0.16 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 1wpl s SER 35 CO 0.21 -0.01 0.05 -0.75 0.41 0.00 0.00 173.24 173.15 1wpl s LYS 36 N -3.66 3.17 0.22 12.44 2.20 -1.26 -1.37 119.74 131.48 1wpl s LYS 36 Ca 0.32 -0.32 -0.17 0.00 -0.36 0.00 0.00 55.97 55.44 1wpl s LYS 36 Cb -0.07 -2.93 0.02 0.00 -1.51 0.00 0.00 37.83 33.33 1wpl s LYS 36 CO 0.22 0.71 0.54 -0.98 -0.36 0.00 0.00 175.35 175.48 1wpl s ARG 37 N -0.87 1.48 -0.34 4.03 1.70 -0.09 -4.97 118.95 119.89 1wpl s ARG 37 Ca 0.13 -0.98 -0.01 0.00 -0.47 0.00 0.00 55.73 54.40 1wpl s ARG 37 Cb -0.12 0.52 0.11 0.00 -0.57 0.00 0.00 34.95 34.90 1wpl s ARG 37 CO 0.03 -0.63 0.15 0.50 -1.08 0.00 0.00 175.30 174.26 1wpl s ARG 38 N -3.92 0.73 0.30 3.89 3.52 -1.26 -0.10 118.95 122.12 1wpl s ARG 38 Ca 0.13 -1.22 -0.29 0.00 -0.13 0.00 0.00 55.73 54.21 1wpl s ARG 38 Cb -0.02 -1.85 -0.10 0.00 -1.56 0.00 0.00 34.95 31.42 1wpl s ARG 38 CO 0.02 -1.06 1.40 0.08 -0.81 0.00 0.00 175.30 174.93 1wpl s VAL 39 N 1.35 2.56 -0.01 7.11 1.01 -1.26 -4.90 120.40 126.26 1wpl s VAL 39 Ca 0.12 0.52 -0.36 0.00 0.00 0.00 0.00 61.98 62.26 1wpl s VAL 39 Cb -0.19 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 1wpl s VAL 39 CO -0.18 0.11 1.60 -0.11 0.00 0.00 0.00 175.10 176.52 1wpl n LEU 40 N 1.45 2.57 0.00 3.92 0.00 -1.26 -1.17 117.00 122.50 1wpl n LEU 40 Ca 0.03 1.07 0.00 0.00 0.00 0.00 0.00 56.01 57.11 1wpl n LEU 40 Cb 0.41 -1.28 0.00 0.00 0.00 0.00 0.00 43.42 42.54 1wpl n LEU 40 CO 0.61 -0.50 0.00 0.61 0.00 0.00 0.00 177.39 178.10 1wpl n GLY 41 N 3.52 2.37 3.82 -3.96 0.00 -1.26 -5.06 105.19 104.61 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 -0.32 6.70 -0.87 1.61 0.01 -0.32 -4.99 114.94 116.75 1wpl s ASN 42 Ca 0.00 0.83 -0.01 0.00 -0.71 0.00 0.00 52.86 52.97 1wpl s ASN 42 Cb 0.00 -2.22 0.35 0.00 0.41 0.00 0.00 41.25 39.78 1wpl s ASN 42 CO 0.00 0.28 1.91 0.59 -1.51 0.00 0.00 177.10 178.37 1wpl n ASN 43 N 2.22 7.28 -3.57 -1.22 5.03 -1.26 -4.76 115.26 118.98 1wpl n ASN 43 Ca -0.14 -3.79 -0.07 0.00 0.87 0.00 0.00 54.58 51.45 1wpl n ASN 43 Cb 0.53 -1.06 -0.03 0.00 -1.02 0.00 0.00 39.78 38.20 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 -4.11 -0.24 0.34 3.10 -0.12 -1.26 -5.17 117.98 110.52 1wpl s PHE 44 Ca 0.48 0.24 -0.02 0.00 -0.05 0.00 0.00 56.93 57.58 1wpl s PHE 44 Cb 0.37 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 43.22 1wpl s PHE 44 CO -0.32 -0.32 0.57 0.71 -0.05 0.00 0.00 175.22 175.81 1wpl s TYR 45 N -2.20 3.50 0.05 3.49 1.51 -1.26 -4.54 117.35 117.89 1wpl s TYR 45 Ca 0.06 0.49 -0.05 0.00 -1.01 0.00 0.00 57.07 56.56 1wpl s TYR 45 Cb -0.01 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1wpl s TYR 45 CO -0.05 0.10 0.08 -1.83 -1.11 0.00 0.00 175.55 172.74 1wpl s GLU 46 N -4.09 0.63 -0.09 -0.62 -1.05 0.86 -3.96 118.70 110.38 1wpl s GLU 46 Ca 0.42 -0.89 -0.01 0.00 -0.15 0.00 0.00 54.97 54.34 1wpl s GLU 46 Cb -0.10 0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 1wpl s GLU 46 CO 0.35 -0.16 -0.04 0.71 0.95 0.00 0.00 175.26 177.07 1wpl s TYR 47 N -3.09 3.01 0.16 4.83 1.51 0.84 -0.92 117.35 123.70 1wpl s TYR 47 Ca -0.01 -0.01 -0.06 0.00 -1.01 0.00 0.00 57.07 55.98 1wpl s TYR 47 Cb 0.02 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1wpl s TYR 47 CO -0.07 0.28 0.23 1.52 -1.11 0.00 0.00 175.55 176.40 1wpl s TYR 48 N -0.56 0.58 0.04 2.71 -0.85 -0.47 -0.69 117.35 118.10 1wpl s TYR 48 Ca 0.09 -0.93 -0.01 0.00 -0.52 0.00 0.00 57.07 55.69 1wpl s TYR 48 Cb -0.12 -0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.00 1wpl s TYR 48 CO 0.02 -0.68 -0.01 0.14 -1.52 0.00 0.00 175.55 173.50 1wpl s VAL 49 N -4.01 0.16 -2.18 -3.49 -7.23 -0.74 -1.45 120.40 101.46 1wpl s VAL 49 Ca 0.21 -1.31 0.28 0.00 -1.81 0.00 0.00 61.98 59.36 1wpl s VAL 49 Cb 0.04 -0.88 0.72 0.00 0.56 0.00 0.00 36.38 36.82 1wpl s VAL 49 CO 0.02 -0.72 1.97 0.59 -0.31 0.00 0.00 175.10 176.65 1wpl n ASN 50 N 0.85 0.59 -4.82 4.85 3.02 -1.26 -0.67 115.26 117.82 1wpl n ASN 50 Ca -0.19 -1.25 -0.33 0.00 -0.03 0.00 0.00 54.58 52.77 1wpl n ASN 50 Cb 0.58 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.69 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 -1.92 6.74 0.76 6.41 1.01 -1.26 -3.87 116.67 124.54 1wpl s ASP 51 Ca 0.41 1.72 -0.11 0.00 0.71 0.00 0.00 52.55 55.29 1wpl s ASP 51 Cb 0.20 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.65 1wpl s ASP 51 CO 0.33 -0.50 1.09 -2.84 0.21 0.00 0.00 175.17 173.46 1wpl s PRO 52 N -3.36 2.32 0.48 8.23 0.02 -1.26 -3.53 135.00 137.90 1wpl s PRO 52 Ca 0.63 1.17 0.17 0.00 0.02 0.00 0.00 61.00 62.99 1wpl s PRO 52 Cb -0.11 -1.90 1.18 0.00 0.02 0.00 0.00 34.50 33.69 1wpl s PRO 52 CO 0.18 -1.60 2.05 -1.00 -0.33 0.00 0.00 177.00 176.30 1wpl h PRO 53 N -1.04 0.19 -0.29 5.54 0.13 -1.83 -2.52 132.00 132.18 1wpl h PRO 53 Ca -0.44 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1wpl h PRO 53 Cb 1.23 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1wpl h PRO 53 CO 0.52 0.12 0.15 -0.09 -0.23 0.00 0.00 178.00 178.47 1wpl h ARG 54 N 0.19 0.31 -0.86 0.86 2.43 -1.91 0.17 114.38 115.58 1wpl h ARG 54 Ca 0.17 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1wpl h ARG 54 Cb 0.43 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1wpl h ARG 54 CO -0.03 0.20 0.55 0.82 -1.51 0.00 0.00 179.97 180.00 1wpl h ILE 55 N 0.32 1.23 -0.01 1.20 1.08 -1.82 -1.80 117.51 117.71 1wpl h ILE 55 Ca 0.12 -0.45 -0.10 0.00 -0.39 0.00 0.00 64.86 64.04 1wpl h ILE 55 Cb 0.02 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 33.75 1wpl h ILE 55 CO -0.07 0.23 -0.45 0.58 -0.69 0.00 0.00 178.15 177.75 1wpl h VAL 56 N 1.17 1.32 -0.35 1.67 2.07 -1.16 -2.01 116.25 118.96 1wpl h VAL 56 Ca 0.31 -1.54 -0.16 0.00 0.82 0.00 0.00 66.70 66.13 1wpl h VAL 56 Cb -0.10 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1wpl h VAL 56 CO -0.06 0.44 -0.42 -0.07 0.02 0.00 0.00 177.57 177.48 1wpl h LEU 57 N 0.02 0.94 -0.53 2.57 3.38 0.09 -1.76 115.31 120.01 1wpl h LEU 57 Ca -0.00 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 1wpl h LEU 57 Cb 0.80 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1wpl h LEU 57 CO 0.06 1.22 -0.02 0.44 0.09 0.00 0.00 178.44 180.23 1wpl h ASP 58 N 0.71 0.94 -0.84 -0.43 3.32 -1.15 -2.06 116.42 116.90 1wpl h ASP 58 Ca 0.05 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1wpl h ASP 58 Cb 1.00 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.26 1wpl h ASP 58 CO 0.10 1.03 0.44 0.11 -1.72 0.00 0.00 179.24 179.20 1wpl h LYS 59 N 0.83 1.19 0.00 3.56 1.57 -1.24 -2.13 116.57 120.35 1wpl h LYS 59 Ca 0.15 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1wpl h LYS 59 Cb 0.56 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1wpl h LYS 59 CO 0.03 0.89 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.42 1wpl h LEU 60 N 1.19 0.00 -0.29 2.94 3.38 -1.09 -2.75 115.31 118.70 1wpl h LEU 60 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1wpl h LEU 60 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1wpl h LEU 60 CO -0.04 0.31 0.16 -0.08 0.09 0.00 0.00 178.44 178.87 1wpl h GLU 61 N 0.00 0.40 -0.02 1.13 4.57 -0.70 0.11 114.58 120.06 1wpl h GLU 61 Ca -0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1wpl h GLU 61 Cb 0.76 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1wpl h GLU 61 CO 0.04 0.35 -0.02 0.00 -1.18 0.00 0.00 179.01 178.20 1wpl n ARG 63 N -4.50 3.44 -2.23 0.00 3.00 -0.85 -4.92 116.66 110.60 1wpl n ARG 63 Ca -0.03 -2.12 -0.04 0.00 -0.01 0.00 0.00 57.85 55.66 1wpl n ARG 63 Cb 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 32.46 30.65 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 0.58 0.35 3.68 -0.13 0.00 -0.09 -5.00 105.19 104.58 1wpl n GLY 64 Ca 0.19 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.41 2.91 -0.00 1.61 0.40 0.31 -1.89 117.98 118.90 1wpl s PHE 65 Ca 0.03 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1wpl s PHE 65 Cb -0.01 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 1wpl s PHE 65 CO 0.03 0.50 -0.08 0.50 0.70 0.00 0.00 175.22 176.88 1wpl s ARG 66 N -2.78 0.64 -0.10 0.44 3.52 -0.29 -4.13 118.95 116.24 1wpl s ARG 66 Ca 0.27 -0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 55.27 1wpl s ARG 66 Cb -0.10 -0.61 -0.03 0.00 -1.56 0.00 0.00 34.95 32.65 1wpl s ARG 66 CO 0.19 0.17 1.35 0.08 -0.81 0.00 0.00 175.30 176.28 1wpl s VAL 67 N -0.24 4.05 -0.20 7.11 1.01 -1.26 -0.79 120.40 130.07 1wpl s VAL 67 Ca 0.03 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.34 1wpl s VAL 67 Cb -0.03 -3.85 -0.21 0.00 0.00 0.00 0.00 36.38 32.29 1wpl s VAL 67 CO -0.00 -0.08 0.01 0.18 0.00 0.00 0.00 175.10 175.21 1wpl n LEU 68 N 6.31 2.42 -3.59 3.92 4.32 0.59 -4.94 117.00 126.03 1wpl n LEU 68 Ca 0.14 -0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.96 1wpl n LEU 68 Cb 0.44 -0.74 -0.07 0.00 -1.62 0.00 0.00 43.42 41.44 1wpl n LEU 68 CO 0.57 0.84 0.31 -0.55 -1.22 0.00 0.00 177.39 177.34 1wpl s SER 69 N -6.51 -0.52 -0.02 -1.43 0.15 -1.06 -5.01 113.70 99.30 1wpl s SER 69 Ca -0.27 0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.92 1wpl s SER 69 Cb 0.08 0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1wpl s SER 69 CO 0.68 -0.57 -0.09 -0.32 1.20 0.00 0.00 173.24 174.14 1wpl s MET 70 N -1.29 0.83 0.17 5.44 1.75 -1.26 -0.15 119.30 124.80 1wpl s MET 70 Ca -0.11 -0.31 -0.09 0.00 -1.25 0.00 0.00 55.69 53.92 1wpl s MET 70 Cb -0.02 -0.80 -0.01 0.00 2.84 0.00 0.00 34.83 36.85 1wpl s MET 70 CO 0.08 0.15 0.30 -0.08 -0.65 0.00 0.00 175.02 174.82 1wpl s THR 71 N -0.01 0.06 -0.09 10.11 -1.32 0.28 -4.99 115.64 119.67 1wpl s THR 71 Ca 0.00 -1.41 0.02 0.00 -1.21 0.00 0.00 61.69 59.09 1wpl s THR 71 Cb -0.06 -1.90 -0.02 0.00 -1.51 0.00 0.00 72.50 69.01 1wpl s THR 71 CO -0.00 -0.25 -0.13 -0.83 -2.21 0.00 0.00 174.62 171.20 1wpl s GLY 72 N -2.98 1.55 -0.21 6.08 0.00 -1.26 -0.19 107.32 110.31 1wpl s GLY 72 Ca 0.19 -0.93 -0.03 0.00 0.00 0.00 0.00 44.72 43.95 1wpl s GLY 72 CO 0.01 -0.50 0.06 0.54 0.00 0.00 0.00 173.10 173.21 1wpl s VAL 73 N -0.27 0.41 0.00 1.40 0.11 0.02 -5.00 120.40 117.07 1wpl s VAL 73 Ca 0.02 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1wpl s VAL 73 Cb -0.13 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1wpl s VAL 73 CO 0.03 -0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 1wpl n GLY 74 N 5.08 1.64 1.09 6.54 0.00 -1.26 -1.72 105.19 116.56 1wpl n GLY 74 Ca -0.08 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 12.70 3.23 -4.17 1.61 1.13 -1.26 -4.95 117.38 125.66 1wpl n GLN 75 Ca 0.00 -2.60 -0.35 0.00 -1.94 0.00 0.00 57.00 52.11 1wpl n GLN 75 Cb 0.00 -1.67 -0.09 0.00 0.11 0.00 0.00 30.24 28.59 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 -1.82 4.68 -0.18 5.09 2.01 -0.70 0.22 115.64 124.94 1wpl s THR 76 Ca 0.40 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.23 1wpl s THR 76 Cb 0.26 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1wpl s THR 76 CO 0.18 0.57 0.05 -0.22 -0.69 0.00 0.00 174.62 174.51 1wpl s LEU 77 N -0.57 3.75 0.00 4.42 2.96 0.34 -0.80 118.68 128.79 1wpl s LEU 77 Ca 0.10 0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.14 1wpl s LEU 77 Cb -0.12 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1wpl s LEU 77 CO 0.02 0.17 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.31 1wpl s VAL 78 N 0.41 1.74 -0.08 1.68 1.01 0.74 -1.23 120.40 124.67 1wpl s VAL 78 Ca 0.02 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1wpl s VAL 78 Cb -0.13 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 1wpl s VAL 78 CO 0.01 0.40 -0.23 0.26 0.00 0.00 0.00 175.10 175.54 1wpl s TRP 79 N -0.61 2.38 -0.32 5.22 0.51 0.42 -0.56 118.94 125.98 1wpl s TRP 79 Ca 0.08 -0.88 -0.08 0.00 -2.12 0.00 0.00 56.10 53.11 1wpl s TRP 79 Cb -0.09 -1.59 0.02 0.00 -0.81 0.00 0.00 33.47 31.00 1wpl s TRP 79 CO 0.00 -0.33 0.11 0.00 -0.51 0.00 0.00 176.95 176.22 1wpl s LEU 81 N 1.50 3.11 -0.01 0.00 1.02 -0.03 -0.30 118.68 123.96 1wpl s LEU 81 Ca 0.02 -0.39 0.06 0.00 0.02 0.00 0.00 54.13 53.84 1wpl s LEU 81 Cb -0.18 -1.87 -0.02 0.00 0.02 0.00 0.00 46.19 44.15 1wpl s LEU 81 CO 0.04 0.16 -0.19 -2.28 0.02 0.00 0.00 176.35 174.10 1wpl s HIS 82 N -1.32 1.65 -0.66 0.29 2.46 0.03 -0.71 115.29 117.03 1wpl s HIS 82 Ca 0.23 -0.32 -0.27 0.00 0.47 0.00 0.00 55.06 55.17 1wpl s HIS 82 Cb -0.11 -1.06 0.00 0.00 -0.13 0.00 0.00 32.58 31.29 1wpl s HIS 82 CO 0.15 -0.02 1.61 0.21 -2.47 0.00 0.00 174.74 174.22 1wpl s LYS 83 N -0.52 2.88 0.00 2.88 2.36 0.27 -1.14 119.74 126.48 1wpl s LYS 83 Ca 0.07 0.27 0.00 0.00 -2.55 0.00 0.00 55.97 53.76 1wpl s LYS 83 Cb -0.07 -4.29 0.00 0.00 -1.05 0.00 0.00 37.83 32.41 1wpl s LYS 83 CO -0.00 -2.46 0.41 0.39 1.55 0.00 0.00 175.35 175.23