#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 0.56 -6.62 0.03 0.13 -1.96 -3.46 132.00 120.67 1wpl h PRO 2 Ca 0.00 -0.66 -0.51 0.00 -0.87 0.00 0.00 66.00 63.96 1wpl h PRO 2 Cb 0.00 0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.30 1wpl h PRO 2 CO 0.00 1.27 0.19 0.71 -0.23 0.00 0.00 178.00 179.94 1wpl s TYR 3 N -3.12 3.76 0.00 1.56 1.51 -1.26 -1.02 117.35 118.79 1wpl s TYR 3 Ca -0.11 1.57 0.01 0.00 -1.01 0.00 0.00 57.07 57.53 1wpl s TYR 3 Cb 0.05 -2.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.15 1wpl s TYR 3 CO 0.89 0.38 -0.04 -1.17 -1.11 0.00 0.00 175.55 174.49 1wpl s LEU 4 N -1.68 2.03 -0.11 -1.29 2.96 -0.08 -5.01 118.68 115.49 1wpl s LEU 4 Ca 0.42 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 1wpl s LEU 4 Cb -0.20 -0.18 0.02 0.00 0.50 0.00 0.00 46.19 46.34 1wpl s LEU 4 CO 0.24 0.02 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.42 1wpl s LEU 5 N -0.25 1.39 0.17 -0.68 1.43 -1.26 -0.72 118.68 118.76 1wpl s LEU 5 Ca -0.00 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1wpl s LEU 5 Cb -0.02 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1wpl s LEU 5 CO -0.00 -0.08 -0.15 0.27 0.23 0.00 0.00 176.35 176.62 1wpl s ILE 6 N 1.47 1.60 0.19 -0.59 -4.36 -0.79 -4.43 121.20 114.30 1wpl s ILE 6 Ca 0.02 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.28 1wpl s ILE 6 Cb -0.13 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.74 1wpl s ILE 6 CO -0.07 -0.50 0.41 -0.94 0.24 0.00 0.00 174.94 174.09 1wpl s SER 7 N -2.92 -0.09 -0.04 4.36 1.04 -0.35 -0.48 113.70 115.21 1wpl s SER 7 Ca 0.17 -0.74 -0.12 0.00 0.48 0.00 0.00 55.95 55.73 1wpl s SER 7 Cb -0.03 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1wpl s SER 7 CO 0.05 -1.00 0.28 0.28 0.98 0.00 0.00 173.24 173.83 1wpl s THR 8 N -3.94 0.04 0.14 2.02 -1.32 -0.52 0.34 115.64 112.40 1wpl s THR 8 Ca 0.15 -0.37 0.03 0.00 -1.21 0.00 0.00 61.69 60.29 1wpl s THR 8 Cb 0.01 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.43 1wpl s THR 8 CO 0.01 -0.20 0.26 -1.10 -2.21 0.00 0.00 174.62 171.37 1wpl s GLN 9 N -0.90 3.37 0.00 7.08 -0.21 -1.26 -0.49 119.66 127.25 1wpl s GLN 9 Ca -0.10 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.67 1wpl s GLN 9 Cb -0.05 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 31.03 1wpl s GLN 9 CO 0.03 0.53 0.00 -0.89 -2.12 0.00 0.00 175.29 172.83 1wpl n ILE 10 N -0.43 0.00 -5.26 1.08 5.41 0.79 -4.58 119.36 116.36 1wpl n ILE 10 Ca -0.07 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.37 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 2.42 0.18 0.38 1.81 -1.26 -4.98 118.95 117.49 1wpl s ARG 11 Ca 0.00 -0.90 0.13 0.00 -1.72 0.00 0.00 55.73 53.24 1wpl s ARG 11 Cb 0.00 -2.11 -0.06 0.00 -0.45 0.00 0.00 34.95 32.33 1wpl s ARG 11 CO 0.00 0.42 1.23 0.00 -0.68 0.00 0.00 175.30 176.27 1wpl h MET 12 N 5.92 0.00 -0.42 3.54 -0.00 -1.94 -3.34 114.93 118.70 1wpl h MET 12 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.35 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 0.47 0.57 0.00 -0.85 -0.00 0.00 0.00 176.91 177.10 1wpl n GLU 13 N -3.17 0.62 -3.57 -0.10 0.00 -1.26 -4.15 120.64 109.02 1wpl n GLU 13 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.00 1wpl n GLU 13 Cb 0.82 -1.21 -0.05 0.00 0.00 0.00 0.00 31.44 31.00 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 -1.33 0.03 0.00 3.84 0.11 -1.25 -4.91 120.40 116.88 1wpl s VAL 14 Ca 0.00 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1wpl s VAL 14 Cb 0.00 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1wpl s VAL 14 CO 0.00 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.26 1wpl n GLY 15 N 0.38 -0.38 3.81 6.54 0.00 -1.25 -4.64 105.19 109.65 1wpl n GLY 15 Ca -0.18 -1.76 -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 -2.04 2.53 -0.14 1.61 0.04 -1.26 -4.98 135.00 130.77 1wpl s PRO 16 Ca 0.00 0.78 0.02 0.00 0.04 0.00 0.00 61.00 61.85 1wpl s PRO 16 Cb 0.00 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1wpl s PRO 16 CO 0.00 -1.34 -0.21 0.99 0.04 0.00 0.00 177.00 176.48 1wpl s THR 17 N -3.11 2.19 -0.05 1.26 2.01 0.29 -4.45 115.64 113.78 1wpl s THR 17 Ca 0.59 -0.94 -0.28 0.00 0.31 0.00 0.00 61.69 61.37 1wpl s THR 17 Cb -0.14 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 1wpl s THR 17 CO 0.54 0.54 0.93 -0.04 -0.69 0.00 0.00 174.62 175.91 1wpl s MET 18 N 0.77 4.48 0.00 4.92 -1.94 0.15 -1.59 119.30 126.09 1wpl s MET 18 Ca -0.08 1.29 0.00 0.00 -1.71 0.00 0.00 55.69 55.20 1wpl s MET 18 Cb -0.16 -3.49 0.00 0.00 2.01 0.00 0.00 34.83 33.19 1wpl s MET 18 CO -0.01 -0.13 0.88 1.33 -0.01 0.00 0.00 175.02 177.09 1wpl n VAL 19 N 4.12 0.77 0.00 -6.03 0.24 0.85 -1.21 118.33 117.07 1wpl n VAL 19 Ca 0.05 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1wpl n VAL 19 Cb 0.50 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 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 -0.38 1.15 1.40 7.63 0.00 -1.14 -4.87 105.19 108.98 1wpl n GLY 20 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 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 1.23 -0.34 1.61 5.75 -1.26 -0.34 116.55 123.20 1wpl n ASP 21 Ca 0.00 -1.63 0.06 0.00 -0.01 0.00 0.00 54.79 53.21 1wpl n ASP 21 Cb 0.00 -0.08 0.24 0.00 -1.03 0.00 0.00 41.12 40.26 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 0.97 -0.87 0.11 5.08 -1.96 -2.16 114.58 115.75 1wpl h GLU 22 Ca -0.11 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.01 1wpl h GLU 22 Cb 0.46 -0.22 -0.11 0.00 0.50 0.00 0.00 28.75 29.38 1wpl h GLU 22 CO 0.17 0.64 0.23 0.72 -1.00 0.00 0.00 179.01 179.77 1wpl n HIS 23 N -4.56 1.69 -2.16 4.33 8.25 -1.26 -4.95 115.22 116.57 1wpl n HIS 23 Ca 0.17 -0.95 -0.32 0.00 -0.26 0.00 0.00 57.72 56.35 1wpl n HIS 23 Cb 0.30 -0.55 -0.01 0.00 1.12 0.00 0.00 29.99 30.85 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 -0.49 6.19 -0.22 0.41 0.01 -0.81 -4.93 113.70 113.85 1wpl s SER 24 Ca 0.36 1.65 -0.29 0.00 1.31 0.00 0.00 55.95 58.99 1wpl s SER 24 Cb 0.29 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 1wpl s SER 24 CO 0.09 -0.89 2.21 -0.67 0.41 0.00 0.00 173.24 174.39 1wpl n ASP 25 N -1.96 3.18 -0.36 2.44 -0.08 -1.26 -4.85 116.55 113.66 1wpl n ASP 25 Ca 0.07 0.26 0.05 0.00 -1.51 0.00 0.00 54.79 53.67 1wpl n ASP 25 Cb 0.54 -1.52 0.21 0.00 2.34 0.00 0.00 41.12 42.68 1wpl n ASP 25 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1wpl h PRO 26 N 14.56 1.04 -0.21 -0.67 0.11 -1.96 -0.50 132.00 144.38 1wpl h PRO 26 Ca -0.40 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1wpl h PRO 26 Cb 1.25 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1wpl h PRO 26 CO 0.97 0.69 0.01 1.49 -0.21 0.00 0.00 178.00 180.94 1wpl h GLU 27 N 1.07 0.36 -0.84 1.05 4.81 -1.99 -1.38 114.58 117.65 1wpl h GLU 27 Ca 0.47 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1wpl h GLU 27 Cb 0.35 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1wpl h GLU 27 CO -0.23 0.54 0.51 1.25 -0.73 0.00 0.00 179.01 180.36 1wpl h LEU 28 N 0.13 1.01 -0.96 1.64 5.85 -1.81 0.19 115.31 121.36 1wpl h LEU 28 Ca 0.06 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1wpl h LEU 28 Cb 0.37 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1wpl h LEU 28 CO 0.01 0.77 0.38 0.24 -0.34 0.00 0.00 178.44 179.49 1wpl h MET 29 N 1.15 1.12 -0.45 1.25 2.86 -0.96 -1.55 114.93 118.36 1wpl h MET 29 Ca 0.30 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.64 1wpl h MET 29 Cb -0.06 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 1wpl h MET 29 CO -0.06 0.86 -0.28 0.37 1.06 0.00 0.00 176.91 178.87 1wpl h GLN 30 N 1.11 0.98 -0.52 1.72 4.15 -0.45 -0.83 115.11 121.27 1wpl h GLN 30 Ca 0.27 -0.45 -0.00 0.00 0.77 0.00 0.00 58.65 59.24 1wpl h GLN 30 Cb 0.11 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1wpl h GLN 30 CO -0.03 1.12 0.32 1.96 -1.93 0.00 0.00 178.83 180.27 1wpl h GLN 31 N 0.82 0.70 0.00 1.69 4.20 -0.50 -0.13 115.11 121.89 1wpl h GLN 31 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1wpl h GLN 31 Cb 0.87 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1wpl h GLN 31 CO 0.08 0.49 0.00 1.28 -0.67 0.00 0.00 178.83 180.00 1wpl n LEU 32 N -4.43 0.72 -0.22 1.46 4.77 -0.63 -4.90 117.00 113.76 1wpl n LEU 32 Ca 0.05 0.58 -0.02 0.00 -0.03 0.00 0.00 56.01 56.59 1wpl n LEU 32 Cb 0.07 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1wpl n LEU 32 CO 0.36 -0.23 -0.02 0.61 -1.33 0.00 0.00 177.39 176.78 1wpl n GLY 33 N 1.09 0.32 3.84 -0.72 0.00 -0.06 -4.98 105.19 104.67 1wpl n GLY 33 Ca 0.05 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.12 3.39 0.24 4.61 0.00 -0.36 -4.82 121.76 122.70 1wpl s ALA 34 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.07 1wpl s ALA 34 Cb -0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 1wpl s ALA 34 CO 0.00 0.36 0.04 -1.12 0.00 0.00 0.00 175.76 175.04 1wpl s SER 35 N -2.08 4.82 -0.12 0.00 0.01 -0.57 -4.69 113.70 111.07 1wpl s SER 35 Ca 0.49 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 1wpl s SER 35 Cb -0.12 -1.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 1wpl s SER 35 CO 0.19 0.01 0.05 -0.75 0.41 0.00 0.00 173.24 173.15 1wpl s LYS 36 N -3.53 3.33 0.20 12.44 2.20 -1.26 -1.26 119.74 131.86 1wpl s LYS 36 Ca 0.31 -0.32 -0.16 0.00 -0.36 0.00 0.00 55.97 55.44 1wpl s LYS 36 Cb -0.07 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1wpl s LYS 36 CO 0.21 0.63 0.49 -0.98 -0.36 0.00 0.00 175.35 175.33 1wpl s ARG 37 N -0.64 1.39 -0.32 4.03 1.70 0.22 -4.96 118.95 120.36 1wpl s ARG 37 Ca 0.11 -0.97 -0.01 0.00 -0.47 0.00 0.00 55.73 54.40 1wpl s ARG 37 Cb -0.12 0.50 0.11 0.00 -0.57 0.00 0.00 34.95 34.86 1wpl s ARG 37 CO 0.02 -0.58 0.12 0.50 -1.08 0.00 0.00 175.30 174.29 1wpl s ARG 38 N -3.91 0.70 0.36 3.89 3.52 -1.26 0.05 118.95 122.30 1wpl s ARG 38 Ca 0.12 -1.12 -0.28 0.00 -0.13 0.00 0.00 55.73 54.33 1wpl s ARG 38 Cb -0.01 -1.89 -0.10 0.00 -1.56 0.00 0.00 34.95 31.40 1wpl s ARG 38 CO -0.00 -1.02 1.28 0.08 -0.81 0.00 0.00 175.30 174.83 1wpl s VAL 39 N 1.52 2.77 0.00 7.11 1.01 -1.26 -4.91 120.40 126.64 1wpl s VAL 39 Ca 0.11 0.73 -0.34 0.00 0.00 0.00 0.00 61.98 62.48 1wpl s VAL 39 Cb -0.18 -3.45 -0.13 0.00 0.00 0.00 0.00 36.38 32.62 1wpl s VAL 39 CO -0.23 0.15 1.75 -0.11 0.00 0.00 0.00 175.10 176.66 1wpl n LEU 40 N 0.55 3.24 0.00 3.92 0.00 -1.26 -1.32 117.00 122.13 1wpl n LEU 40 Ca 0.01 1.02 0.00 0.00 0.00 0.00 0.00 56.01 57.04 1wpl n LEU 40 Cb 0.43 -1.38 0.00 0.00 0.00 0.00 0.00 43.42 42.47 1wpl n LEU 40 CO 0.57 -0.18 0.00 0.61 0.00 0.00 0.00 177.39 178.39 1wpl n GLY 41 N 3.99 1.95 3.80 -3.96 0.00 -1.26 -5.06 105.19 104.65 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 -0.38 6.70 -0.90 1.61 0.01 -0.44 -4.99 114.94 116.55 1wpl s ASN 42 Ca 0.00 0.84 -0.02 0.00 -0.71 0.00 0.00 52.86 52.97 1wpl s ASN 42 Cb 0.00 -2.24 0.34 0.00 0.41 0.00 0.00 41.25 39.76 1wpl s ASN 42 CO 0.00 0.23 1.96 0.59 -1.51 0.00 0.00 177.10 178.37 1wpl n ASN 43 N 2.48 7.47 -3.55 -1.22 5.03 -1.26 -4.73 115.26 119.47 1wpl n ASN 43 Ca -0.13 -3.79 -0.07 0.00 0.87 0.00 0.00 54.58 51.47 1wpl n ASN 43 Cb 0.52 -1.10 -0.02 0.00 -1.02 0.00 0.00 39.78 38.17 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 -4.16 -0.24 0.27 3.10 -0.12 -1.26 -5.17 117.98 110.40 1wpl s PHE 44 Ca 0.48 0.16 0.00 0.00 -0.05 0.00 0.00 56.93 57.52 1wpl s PHE 44 Cb 0.36 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 43.24 1wpl s PHE 44 CO -0.33 -0.38 0.46 0.71 -0.05 0.00 0.00 175.22 175.63 1wpl s TYR 45 N -2.74 3.48 0.03 3.49 1.51 -1.26 -4.54 117.35 117.33 1wpl s TYR 45 Ca 0.07 0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 56.43 1wpl s TYR 45 Cb -0.01 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 1wpl s TYR 45 CO -0.07 0.27 0.03 -1.83 -1.11 0.00 0.00 175.55 172.85 1wpl s GLU 46 N -3.79 0.51 -0.13 -0.62 -1.05 0.11 -3.93 118.70 109.79 1wpl s GLU 46 Ca 0.39 -0.80 -0.03 0.00 -0.15 0.00 0.00 54.97 54.38 1wpl s GLU 46 Cb -0.10 0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 1wpl s GLU 46 CO 0.32 -0.11 -0.02 0.71 0.95 0.00 0.00 175.26 177.10 1wpl s TYR 47 N -2.52 3.06 0.13 4.83 1.51 0.54 -0.61 117.35 124.29 1wpl s TYR 47 Ca -0.06 -0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1wpl s TYR 47 Cb -0.02 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 1wpl s TYR 47 CO -0.04 0.14 0.11 1.52 -1.11 0.00 0.00 175.55 176.17 1wpl s TYR 48 N -0.06 0.71 0.03 2.71 -0.85 -0.39 -0.11 117.35 119.40 1wpl s TYR 48 Ca 0.02 -1.09 -0.00 0.00 -0.52 0.00 0.00 57.07 55.48 1wpl s TYR 48 Cb -0.13 -0.36 -0.03 0.00 0.38 0.00 0.00 41.96 41.82 1wpl s TYR 48 CO 0.02 -0.56 -0.03 0.14 -1.52 0.00 0.00 175.55 173.60 1wpl s VAL 49 N -4.02 0.19 -2.15 -3.49 -7.23 -0.62 -1.51 120.40 101.56 1wpl s VAL 49 Ca 0.21 -1.28 0.31 0.00 -1.81 0.00 0.00 61.98 59.40 1wpl s VAL 49 Cb 0.06 -0.79 0.80 0.00 0.56 0.00 0.00 36.38 37.01 1wpl s VAL 49 CO 0.00 -0.69 2.08 0.59 -0.31 0.00 0.00 175.10 176.77 1wpl n ASN 50 N 0.99 0.46 -4.81 4.85 3.02 -1.26 -0.55 115.26 117.96 1wpl n ASN 50 Ca -0.20 -1.16 -0.33 0.00 -0.03 0.00 0.00 54.58 52.86 1wpl n ASN 50 Cb 0.57 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.70 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 -1.99 6.55 0.77 6.41 1.01 -1.26 -3.84 116.67 124.33 1wpl s ASP 51 Ca 0.45 1.78 -0.11 0.00 0.71 0.00 0.00 52.55 55.38 1wpl s ASP 51 Cb 0.22 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.66 1wpl s ASP 51 CO 0.36 -0.63 1.08 -2.84 0.21 0.00 0.00 175.17 173.35 1wpl s PRO 52 N -3.41 2.26 0.41 8.23 0.02 -1.26 -3.51 135.00 137.73 1wpl s PRO 52 Ca 0.64 1.05 0.10 0.00 0.02 0.00 0.00 61.00 62.80 1wpl s PRO 52 Cb -0.13 -1.91 0.91 0.00 0.02 0.00 0.00 34.50 33.40 1wpl s PRO 52 CO 0.20 -1.61 2.00 -1.00 -0.33 0.00 0.00 177.00 176.27 1wpl h PRO 53 N -1.10 0.52 -0.31 5.54 0.13 -1.83 -2.75 132.00 132.21 1wpl h PRO 53 Ca -0.45 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.70 1wpl h PRO 53 Cb 1.24 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 1wpl h PRO 53 CO 0.53 0.34 0.02 -0.09 -0.23 0.00 0.00 178.00 178.57 1wpl h ARG 54 N 0.53 0.11 -0.89 0.86 2.43 -1.91 0.27 114.38 115.78 1wpl h ARG 54 Ca 0.24 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1wpl h ARG 54 Cb 0.28 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 1wpl h ARG 54 CO -0.07 0.07 0.59 0.82 -1.51 0.00 0.00 179.97 179.87 1wpl h ILE 55 N 0.11 1.21 -0.14 1.20 1.08 -1.86 -1.65 117.51 117.45 1wpl h ILE 55 Ca 0.15 -0.40 -0.13 0.00 -0.39 0.00 0.00 64.86 64.08 1wpl h ILE 55 Cb 0.19 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.85 1wpl h ILE 55 CO -0.23 0.21 -0.49 0.58 -0.69 0.00 0.00 178.15 177.53 1wpl h VAL 56 N 1.18 1.33 -0.45 1.67 2.07 -1.02 -2.26 116.25 118.76 1wpl h VAL 56 Ca 0.33 -1.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 1wpl h VAL 56 Cb -0.10 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1wpl h VAL 56 CO -0.08 0.52 0.01 -0.07 0.02 0.00 0.00 177.57 177.97 1wpl h LEU 57 N 0.30 0.77 -0.81 2.57 3.38 0.15 -1.44 115.31 120.22 1wpl h LEU 57 Ca 0.01 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1wpl h LEU 57 Cb 0.97 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1wpl h LEU 57 CO 0.08 0.89 0.35 0.44 0.09 0.00 0.00 178.44 180.29 1wpl h ASP 58 N 0.63 1.10 -0.47 -0.43 3.32 -1.21 -1.50 116.42 117.86 1wpl h ASP 58 Ca 0.13 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1wpl h ASP 58 Cb 0.49 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1wpl h ASP 58 CO 0.02 0.96 0.10 0.11 -1.72 0.00 0.00 179.24 178.71 1wpl h LYS 59 N 1.17 0.83 0.00 3.56 1.57 -1.19 -2.27 116.57 120.24 1wpl h LYS 59 Ca 0.27 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1wpl h LYS 59 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1wpl h LYS 59 CO -0.03 0.77 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.24 1wpl h LEU 60 N 0.80 0.00 -0.09 2.94 3.38 -0.75 -2.85 115.31 118.74 1wpl h LEU 60 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1wpl h LEU 60 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wpl h LEU 60 CO 0.00 0.31 0.05 -0.08 0.09 0.00 0.00 178.44 178.81 1wpl h GLU 61 N 0.00 0.13 -0.38 1.13 4.57 -0.70 0.86 114.58 120.20 1wpl h GLU 61 Ca -0.00 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1wpl h GLU 61 Cb 0.85 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 1wpl h GLU 61 CO 0.04 0.19 0.26 0.00 -1.18 0.00 0.00 179.01 178.31 1wpl n ARG 63 N -4.48 2.75 -2.47 0.00 3.00 -0.91 -4.91 116.66 109.64 1wpl n ARG 63 Ca 0.04 -1.61 -0.05 0.00 -0.01 0.00 0.00 57.85 56.23 1wpl n ARG 63 Cb 0.24 -1.73 0.01 0.00 0.00 0.00 0.00 32.46 30.97 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 0.57 0.47 3.59 -0.13 0.00 0.74 -5.01 105.19 105.42 1wpl n GLY 64 Ca 0.14 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.73 2.75 0.01 1.61 0.40 0.25 -2.10 117.98 118.17 1wpl s PHE 65 Ca 0.07 -0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.29 1wpl s PHE 65 Cb -0.03 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 1wpl s PHE 65 CO 0.09 0.44 -0.13 0.50 0.70 0.00 0.00 175.22 176.82 1wpl s ARG 66 N -2.33 0.97 -0.13 0.44 3.52 -0.19 -4.12 118.95 117.12 1wpl s ARG 66 Ca 0.22 -0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 54.94 1wpl s ARG 66 Cb -0.11 -0.95 -0.02 0.00 -1.56 0.00 0.00 34.95 32.31 1wpl s ARG 66 CO 0.14 0.25 1.25 0.08 -0.81 0.00 0.00 175.30 176.22 1wpl s VAL 67 N -0.56 4.25 -0.18 7.11 1.01 -1.26 -0.78 120.40 129.98 1wpl s VAL 67 Ca 0.03 1.53 0.04 0.00 0.00 0.00 0.00 61.98 63.59 1wpl s VAL 67 Cb -0.06 -3.99 -0.22 0.00 0.00 0.00 0.00 36.38 32.11 1wpl s VAL 67 CO 0.00 -0.09 0.09 0.18 0.00 0.00 0.00 175.10 175.29 1wpl n LEU 68 N 6.16 2.04 -3.55 3.92 4.32 0.79 -4.95 117.00 125.73 1wpl n LEU 68 Ca 0.13 0.05 -0.17 0.00 -0.02 0.00 0.00 56.01 55.99 1wpl n LEU 68 Cb 0.45 -0.55 -0.06 0.00 -1.62 0.00 0.00 43.42 41.64 1wpl n LEU 68 CO 0.56 0.76 0.40 -0.55 -1.22 0.00 0.00 177.39 177.34 1wpl s SER 69 N -6.40 -0.63 -0.03 -1.43 0.15 -1.06 -5.01 113.70 99.29 1wpl s SER 69 Ca -0.23 0.73 0.02 0.00 0.70 0.00 0.00 55.95 57.18 1wpl s SER 69 Cb 0.08 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 64.99 1wpl s SER 69 CO 0.72 -0.56 -0.09 -0.32 1.20 0.00 0.00 173.24 174.18 1wpl s MET 70 N -1.06 1.05 0.16 5.44 1.75 -1.26 0.06 119.30 125.43 1wpl s MET 70 Ca -0.10 -0.30 -0.05 0.00 -1.25 0.00 0.00 55.69 53.98 1wpl s MET 70 Cb -0.01 -0.96 -0.02 0.00 2.84 0.00 0.00 34.83 36.68 1wpl s MET 70 CO 0.09 0.09 0.19 -0.08 -0.65 0.00 0.00 175.02 174.66 1wpl s THR 71 N 0.31 0.07 -0.09 10.11 -1.32 0.28 -4.99 115.64 120.01 1wpl s THR 71 Ca -0.05 -1.64 0.02 0.00 -1.21 0.00 0.00 61.69 58.81 1wpl s THR 71 Cb -0.10 -1.98 -0.02 0.00 -1.51 0.00 0.00 72.50 68.88 1wpl s THR 71 CO 0.01 -0.33 -0.13 -0.83 -2.21 0.00 0.00 174.62 171.13 1wpl s GLY 72 N -3.02 1.55 -0.21 6.08 0.00 -1.26 -0.04 107.32 110.43 1wpl s GLY 72 Ca 0.22 -0.93 -0.03 0.00 0.00 0.00 0.00 44.72 43.98 1wpl s GLY 72 CO 0.02 -0.50 0.05 0.54 0.00 0.00 0.00 173.10 173.21 1wpl s VAL 73 N -0.25 0.48 0.00 1.40 0.11 0.21 -4.99 120.40 117.35 1wpl s VAL 73 Ca 0.02 -0.61 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1wpl s VAL 73 Cb -0.13 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 1wpl s VAL 73 CO 0.03 -0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.13 1wpl n GLY 74 N 5.06 1.57 1.24 6.54 0.00 -1.26 -1.70 105.19 116.64 1wpl n GLY 74 Ca -0.08 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 12.78 3.28 -4.10 1.61 1.13 -1.26 -4.94 117.38 125.88 1wpl n GLN 75 Ca 0.00 -2.66 -0.35 0.00 -1.94 0.00 0.00 57.00 52.05 1wpl n GLN 75 Cb 0.00 -1.69 -0.09 0.00 0.11 0.00 0.00 30.24 28.57 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 -1.65 4.80 -0.19 5.09 2.01 -0.69 -0.15 115.64 124.86 1wpl s THR 76 Ca 0.43 -0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 1wpl s THR 76 Cb 0.27 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1wpl s THR 76 CO 0.22 0.55 0.10 -0.22 -0.69 0.00 0.00 174.62 174.57 1wpl s LEU 77 N -0.40 4.00 -0.01 4.42 2.96 0.35 -0.62 118.68 129.37 1wpl s LEU 77 Ca 0.09 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 1wpl s LEU 77 Cb -0.12 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1wpl s LEU 77 CO 0.02 0.17 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.33 1wpl s VAL 78 N 0.42 1.59 -0.07 1.68 1.01 0.95 -1.44 120.40 124.53 1wpl s VAL 78 Ca 0.05 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1wpl s VAL 78 Cb -0.12 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1wpl s VAL 78 CO -0.01 0.43 -0.24 0.26 0.00 0.00 0.00 175.10 175.54 1wpl s TRP 79 N -0.50 2.50 -0.33 5.22 0.51 0.36 -0.56 118.94 126.15 1wpl s TRP 79 Ca 0.08 -0.81 -0.07 0.00 -2.12 0.00 0.00 56.10 53.17 1wpl s TRP 79 Cb -0.08 -1.64 0.02 0.00 -0.81 0.00 0.00 33.47 30.96 1wpl s TRP 79 CO -0.01 -0.27 0.11 0.00 -0.51 0.00 0.00 176.95 176.28 1wpl s LEU 81 N 1.47 3.28 0.01 0.00 1.02 0.11 -0.15 118.68 124.43 1wpl s LEU 81 Ca 0.01 -0.27 0.06 0.00 0.02 0.00 0.00 54.13 53.95 1wpl s LEU 81 Cb -0.18 -2.04 -0.02 0.00 0.02 0.00 0.00 46.19 43.97 1wpl s LEU 81 CO 0.03 0.18 -0.19 -2.28 0.02 0.00 0.00 176.35 174.11 1wpl s HIS 82 N -1.27 1.66 -0.82 0.29 2.46 0.04 -0.91 115.29 116.75 1wpl s HIS 82 Ca 0.24 -0.34 -0.25 0.00 0.47 0.00 0.00 55.06 55.17 1wpl s HIS 82 Cb -0.11 -1.03 0.02 0.00 -0.13 0.00 0.00 32.58 31.33 1wpl s HIS 82 CO 0.16 0.03 1.51 0.21 -2.47 0.00 0.00 174.74 174.18 1wpl s LYS 83 N -0.81 3.13 0.00 2.88 2.36 -0.18 -1.02 119.74 126.10 1wpl s LYS 83 Ca 0.07 -0.35 0.00 0.00 -2.55 0.00 0.00 55.97 53.14 1wpl s LYS 83 Cb -0.08 -4.65 0.00 0.00 -1.05 0.00 0.00 37.83 32.05 1wpl s LYS 83 CO 0.00 -2.41 0.51 0.39 1.55 0.00 0.00 175.35 175.39