#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 -6.53 0.03 0.13 -1.97 -3.46 132.00 120.77 1wpl h PRO 2 Ca 0.00 -0.79 -0.53 0.00 -0.87 0.00 0.00 66.00 63.82 1wpl h PRO 2 Cb 0.00 0.27 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 1wpl h PRO 2 CO 0.00 1.36 0.13 0.71 -0.23 0.00 0.00 178.00 179.97 1wpl s TYR 3 N -2.88 3.77 0.01 1.56 1.51 -1.26 -0.86 117.35 119.20 1wpl s TYR 3 Ca -0.10 1.49 0.02 0.00 -1.01 0.00 0.00 57.07 57.47 1wpl s TYR 3 Cb 0.05 -2.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.21 1wpl s TYR 3 CO 0.92 0.43 -0.06 -1.17 -1.11 0.00 0.00 175.55 174.55 1wpl s LEU 4 N -1.57 2.11 -0.10 -1.29 2.96 -0.00 -5.01 118.68 115.77 1wpl s LEU 4 Ca 0.39 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1wpl s LEU 4 Cb -0.20 -0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.29 1wpl s LEU 4 CO 0.23 -0.04 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.40 1wpl s LEU 5 N -0.69 1.11 0.18 -0.68 1.43 -1.26 -0.91 118.68 117.86 1wpl s LEU 5 Ca -0.03 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1wpl s LEU 5 Cb -0.05 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1wpl s LEU 5 CO 0.00 -0.12 -0.16 0.27 0.23 0.00 0.00 176.35 176.56 1wpl s ILE 6 N 1.70 1.78 0.18 -0.59 -4.36 -0.81 -4.41 121.20 114.68 1wpl s ILE 6 Ca 0.04 -2.05 -0.13 0.00 -0.26 0.00 0.00 60.65 58.25 1wpl s ILE 6 Cb -0.13 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.67 1wpl s ILE 6 CO -0.07 -0.45 0.41 -0.94 0.24 0.00 0.00 174.94 174.13 1wpl s SER 7 N -2.96 -0.11 -0.04 4.36 1.04 -0.31 -0.48 113.70 115.19 1wpl s SER 7 Ca 0.19 -0.67 -0.12 0.00 0.48 0.00 0.00 55.95 55.82 1wpl s SER 7 Cb -0.03 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1wpl s SER 7 CO 0.07 -0.98 0.28 0.28 0.98 0.00 0.00 173.24 173.87 1wpl s THR 8 N -3.92 0.04 0.10 2.02 -1.32 -0.41 0.38 115.64 112.54 1wpl s THR 8 Ca 0.13 -0.36 0.02 0.00 -1.21 0.00 0.00 61.69 60.27 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 0.20 -1.10 -2.21 0.00 0.00 174.62 171.30 1wpl s GLN 9 N -0.87 3.29 0.00 7.08 -0.21 -1.26 -0.41 119.66 127.28 1wpl s GLN 9 Ca -0.10 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 54.71 1wpl s GLN 9 Cb -0.05 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 31.04 1wpl s GLN 9 CO 0.03 0.56 0.00 -0.89 -2.12 0.00 0.00 175.29 172.87 1wpl n ILE 10 N -0.00 0.00 -5.25 1.08 5.41 0.13 -4.58 119.36 116.14 1wpl n ILE 10 Ca -0.07 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.37 1wpl n ILE 10 Cb 0.52 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.29 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 2.57 0.18 0.38 1.81 -1.26 -4.98 118.95 117.66 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 -2.18 -0.06 0.00 -0.45 0.00 0.00 34.95 32.26 1wpl s ARG 11 CO 0.00 0.38 1.27 0.00 -0.68 0.00 0.00 175.30 176.26 1wpl h MET 12 N 6.08 0.00 -0.56 3.54 -0.00 -1.94 -3.34 114.93 118.71 1wpl h MET 12 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 1wpl h MET 12 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 1wpl h MET 12 CO 0.47 0.62 0.00 -0.85 -0.00 0.00 0.00 176.91 177.15 1wpl n GLU 13 N -3.21 0.64 -3.51 -0.10 0.00 -1.26 -4.13 120.64 109.08 1wpl n GLU 13 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.00 1wpl n GLU 13 Cb 0.83 -1.28 -0.05 0.00 0.00 0.00 0.00 31.44 30.94 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 -1.13 0.01 0.00 3.84 0.11 -1.25 -4.92 120.40 117.06 1wpl s VAL 14 Ca 0.00 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1wpl s VAL 14 Cb 0.00 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 1wpl s VAL 14 CO 0.00 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 1wpl n GLY 15 N 0.34 -0.51 3.83 6.54 0.00 -1.25 -4.65 105.19 109.48 1wpl n GLY 15 Ca -0.18 -1.74 -0.30 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 -2.17 2.40 -0.14 1.61 0.04 -1.26 -4.97 135.00 130.51 1wpl s PRO 16 Ca 0.00 0.62 0.02 0.00 0.04 0.00 0.00 61.00 61.68 1wpl s PRO 16 Cb 0.00 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1wpl s PRO 16 CO 0.00 -1.39 -0.20 0.99 0.04 0.00 0.00 177.00 176.44 1wpl s THR 17 N -3.20 1.92 -0.03 1.26 2.01 0.09 -4.46 115.64 113.23 1wpl s THR 17 Ca 0.60 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 1wpl s THR 17 Cb -0.13 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1wpl s THR 17 CO 0.54 0.52 0.97 -0.04 -0.69 0.00 0.00 174.62 175.92 1wpl s MET 18 N 0.94 4.52 0.00 4.92 -1.94 0.16 -1.77 119.30 126.13 1wpl s MET 18 Ca -0.05 1.39 0.00 0.00 -1.71 0.00 0.00 55.69 55.32 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 -0.04 -0.10 0.84 1.33 -0.01 0.00 0.00 175.02 177.04 1wpl n VAL 19 N 4.03 0.69 0.00 -6.03 0.24 0.89 -1.16 118.33 116.99 1wpl n VAL 19 Ca 0.06 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 1wpl n VAL 19 Cb 0.51 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.35 1.24 0.66 7.63 0.00 -1.14 -4.86 105.19 108.37 1wpl n GLY 20 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 0.60 -0.36 1.61 5.75 -1.26 -0.02 116.55 122.87 1wpl n ASP 21 Ca 0.00 -1.28 0.02 0.00 -0.01 0.00 0.00 54.79 53.52 1wpl n ASP 21 Cb 0.00 -0.06 0.16 0.00 -1.03 0.00 0.00 41.12 40.20 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 1.10 -0.95 0.11 5.08 -1.95 -2.56 114.58 115.41 1wpl h GLU 22 Ca -0.05 -0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 57.99 1wpl h GLU 22 Cb 0.21 -0.25 -0.15 0.00 0.50 0.00 0.00 28.75 29.06 1wpl h GLU 22 CO 0.07 0.73 0.33 0.72 -1.00 0.00 0.00 179.01 179.86 1wpl n HIS 23 N -4.53 1.77 -2.42 4.33 8.25 -1.26 -4.95 115.22 116.40 1wpl n HIS 23 Ca 0.15 -1.16 -0.32 0.00 -0.26 0.00 0.00 57.72 56.13 1wpl n HIS 23 Cb 0.18 -0.62 -0.03 0.00 1.12 0.00 0.00 29.99 30.64 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 -0.41 6.58 -0.29 0.41 0.01 -0.96 -4.94 113.70 114.10 1wpl s SER 24 Ca 0.34 1.49 -0.30 0.00 1.31 0.00 0.00 55.95 58.80 1wpl s SER 24 Cb 0.29 -2.48 -0.07 0.00 0.21 0.00 0.00 66.02 63.97 1wpl s SER 24 CO 0.07 -0.58 2.24 -0.67 0.41 0.00 0.00 173.24 174.71 1wpl n ASP 25 N -1.63 2.85 -0.31 2.44 -0.08 -1.26 -4.84 116.55 113.72 1wpl n ASP 25 Ca 0.06 0.19 0.09 0.00 -1.51 0.00 0.00 54.79 53.61 1wpl n ASP 25 Cb 0.54 -1.48 0.30 0.00 2.34 0.00 0.00 41.12 42.82 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 14.81 0.84 -0.16 -0.67 0.11 -1.95 -0.10 132.00 144.87 1wpl h PRO 26 Ca -0.36 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 1wpl h PRO 26 Cb 1.26 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1wpl h PRO 26 CO 1.00 0.56 -0.01 1.49 -0.21 0.00 0.00 178.00 180.82 1wpl h GLU 27 N 0.87 0.29 -0.84 1.05 4.81 -1.99 -0.99 114.58 117.78 1wpl h GLU 27 Ca 0.46 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1wpl h GLU 27 Cb 0.55 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 1wpl h GLU 27 CO -0.23 0.53 0.51 1.25 -0.73 0.00 0.00 179.01 180.34 1wpl h LEU 28 N 0.03 1.01 -0.84 1.64 5.85 -1.80 0.99 115.31 122.19 1wpl h LEU 28 Ca 0.04 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1wpl h LEU 28 Cb 0.41 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1wpl h LEU 28 CO 0.01 0.78 0.44 0.24 -0.34 0.00 0.00 178.44 179.57 1wpl h MET 29 N 1.15 1.18 -0.49 1.25 2.86 -0.91 -1.75 114.93 118.23 1wpl h MET 29 Ca 0.30 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 1wpl h MET 29 Cb -0.05 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.37 1wpl h MET 29 CO -0.06 0.88 -0.10 0.37 1.06 0.00 0.00 176.91 179.06 1wpl h GLN 30 N 1.18 0.94 -0.78 1.72 4.15 -0.40 -1.40 115.11 120.52 1wpl h GLN 30 Ca 0.29 -0.35 0.05 0.00 0.77 0.00 0.00 58.65 59.41 1wpl h GLN 30 Cb 0.06 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 1wpl h GLN 30 CO -0.04 1.01 0.51 1.96 -1.93 0.00 0.00 178.83 180.34 1wpl h GLN 31 N 0.79 0.88 0.00 1.69 4.20 -0.39 -0.67 115.11 121.62 1wpl h GLN 31 Ca 0.13 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1wpl h GLN 31 Cb 0.66 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1wpl h GLN 31 CO 0.05 0.58 0.00 1.28 -0.67 0.00 0.00 178.83 180.07 1wpl n LEU 32 N -4.46 0.53 -0.22 1.46 4.77 -0.70 -4.90 117.00 113.48 1wpl n LEU 32 Ca 0.11 0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 56.63 1wpl n LEU 32 Cb 0.16 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1wpl n LEU 32 CO 0.34 -0.21 -0.02 0.61 -1.33 0.00 0.00 177.39 176.78 1wpl n GLY 33 N 1.04 0.30 3.83 -0.72 0.00 -0.26 -4.98 105.19 104.40 1wpl n GLY 33 Ca 0.05 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.10 3.40 0.23 4.61 0.00 -0.57 -4.81 121.76 122.54 1wpl s ALA 34 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.14 1wpl s ALA 34 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1wpl s ALA 34 CO 0.00 0.34 0.07 -1.12 0.00 0.00 0.00 175.76 175.05 1wpl s SER 35 N -1.84 4.97 -0.09 0.00 0.01 -0.41 -4.70 113.70 111.64 1wpl s SER 35 Ca 0.46 -0.43 -0.03 0.00 1.31 0.00 0.00 55.95 57.25 1wpl s SER 35 Cb -0.15 -1.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.95 1wpl s SER 35 CO 0.20 0.01 0.05 -0.75 0.41 0.00 0.00 173.24 173.16 1wpl s LYS 36 N -3.53 3.12 0.23 12.44 2.20 -1.26 -1.14 119.74 131.80 1wpl s LYS 36 Ca 0.31 -0.32 -0.18 0.00 -0.36 0.00 0.00 55.97 55.41 1wpl s LYS 36 Cb -0.08 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.35 1wpl s LYS 36 CO 0.21 0.73 0.58 -0.98 -0.36 0.00 0.00 175.35 175.53 1wpl s ARG 37 N -0.94 1.53 -0.35 4.03 1.70 0.01 -4.97 118.95 119.96 1wpl s ARG 37 Ca 0.14 -0.94 -0.00 0.00 -0.47 0.00 0.00 55.73 54.45 1wpl s ARG 37 Cb -0.12 0.55 0.12 0.00 -0.57 0.00 0.00 34.95 34.93 1wpl s ARG 37 CO 0.03 -0.67 0.16 0.50 -1.08 0.00 0.00 175.30 174.24 1wpl s ARG 38 N -3.90 0.74 0.32 3.89 3.52 -1.26 -0.14 118.95 122.11 1wpl s ARG 38 Ca 0.12 -1.27 -0.29 0.00 -0.13 0.00 0.00 55.73 54.15 1wpl s ARG 38 Cb -0.03 -1.81 -0.10 0.00 -1.56 0.00 0.00 34.95 31.45 1wpl s ARG 38 CO 0.02 -1.08 1.40 0.08 -0.81 0.00 0.00 175.30 174.90 1wpl s VAL 39 N 1.27 2.51 0.04 7.11 1.01 -1.26 -4.90 120.40 126.18 1wpl s VAL 39 Ca 0.13 0.49 -0.35 0.00 0.00 0.00 0.00 61.98 62.25 1wpl s VAL 39 Cb -0.20 -3.31 -0.14 0.00 0.00 0.00 0.00 36.38 32.73 1wpl s VAL 39 CO -0.15 0.10 1.63 -0.11 0.00 0.00 0.00 175.10 176.58 1wpl n LEU 40 N 1.20 2.87 0.00 3.92 0.00 -1.26 -1.17 117.00 122.56 1wpl n LEU 40 Ca 0.02 1.06 0.00 0.00 0.00 0.00 0.00 56.01 57.09 1wpl n LEU 40 Cb 0.41 -1.34 0.00 0.00 0.00 0.00 0.00 43.42 42.48 1wpl n LEU 40 CO 0.61 -0.37 0.00 0.61 0.00 0.00 0.00 177.39 178.24 1wpl n GLY 41 N 3.60 1.99 3.80 -3.96 0.00 -1.26 -5.06 105.19 104.31 1wpl n GLY 41 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.05 6.80 -0.88 1.61 0.01 -0.32 -4.99 114.94 117.13 1wpl s ASN 42 Ca 0.00 0.95 -0.01 0.00 -0.71 0.00 0.00 52.86 53.09 1wpl s ASN 42 Cb 0.00 -2.27 0.34 0.00 0.41 0.00 0.00 41.25 39.73 1wpl s ASN 42 CO 0.00 0.24 1.86 0.59 -1.51 0.00 0.00 177.10 178.28 1wpl n ASN 43 N 2.27 7.19 -3.56 -1.22 5.03 -1.26 -4.76 115.26 118.96 1wpl n ASN 43 Ca -0.12 -3.77 -0.06 0.00 0.87 0.00 0.00 54.58 51.50 1wpl n ASN 43 Cb 0.52 -1.05 -0.02 0.00 -1.02 0.00 0.00 39.78 38.21 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 -4.12 -0.22 0.25 3.10 -0.12 -1.26 -5.17 117.98 110.45 1wpl s PHE 44 Ca 0.47 0.15 -0.01 0.00 -0.05 0.00 0.00 56.93 57.49 1wpl s PHE 44 Cb 0.34 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 43.21 1wpl s PHE 44 CO -0.29 -0.34 0.45 0.71 -0.05 0.00 0.00 175.22 175.71 1wpl s TYR 45 N -2.63 3.48 0.05 3.49 1.51 -1.26 -4.54 117.35 117.45 1wpl s TYR 45 Ca 0.07 0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 56.48 1wpl s TYR 45 Cb -0.01 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1wpl s TYR 45 CO -0.06 0.29 0.01 -1.83 -1.11 0.00 0.00 175.55 172.84 1wpl s GLU 46 N -3.65 0.57 -0.12 -0.62 -1.05 0.80 -3.89 118.70 110.75 1wpl s GLU 46 Ca 0.39 -1.03 -0.01 0.00 -0.15 0.00 0.00 54.97 54.18 1wpl s GLU 46 Cb -0.10 0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 33.77 1wpl s GLU 46 CO 0.31 -0.12 -0.08 0.71 0.95 0.00 0.00 175.26 177.03 1wpl s TYR 47 N -3.30 2.93 0.15 4.83 1.51 0.97 -0.81 117.35 123.62 1wpl s TYR 47 Ca 0.01 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.75 1wpl s TYR 47 Cb 0.03 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1wpl s TYR 47 CO -0.08 0.04 0.13 1.52 -1.11 0.00 0.00 175.55 176.05 1wpl s TYR 48 N -0.04 0.74 0.03 2.71 -0.85 -0.29 -0.08 117.35 119.57 1wpl s TYR 48 Ca -0.00 -1.10 -0.01 0.00 -0.52 0.00 0.00 57.07 55.44 1wpl s TYR 48 Cb -0.14 -0.35 -0.03 0.00 0.38 0.00 0.00 41.96 41.83 1wpl s TYR 48 CO 0.03 -0.59 -0.01 0.14 -1.52 0.00 0.00 175.55 173.60 1wpl s VAL 49 N -4.03 0.15 -2.12 -3.49 -7.23 -0.73 -1.28 120.40 101.67 1wpl s VAL 49 Ca 0.23 -1.26 0.27 0.00 -1.81 0.00 0.00 61.98 59.41 1wpl s VAL 49 Cb 0.06 -0.80 0.70 0.00 0.56 0.00 0.00 36.38 36.90 1wpl s VAL 49 CO 0.02 -0.69 1.93 0.59 -0.31 0.00 0.00 175.10 176.64 1wpl n ASN 50 N 0.95 0.44 -4.82 4.85 3.02 -1.26 -0.74 115.26 117.70 1wpl n ASN 50 Ca -0.20 -1.27 -0.33 0.00 -0.03 0.00 0.00 54.58 52.75 1wpl n ASN 50 Cb 0.58 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.84 6.86 0.78 6.41 1.01 -1.26 -3.89 116.67 124.74 1wpl s ASP 51 Ca 0.39 1.71 -0.11 0.00 0.71 0.00 0.00 52.55 55.26 1wpl s ASP 51 Cb 0.19 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.64 1wpl s ASP 51 CO 0.31 -0.42 1.09 -2.84 0.21 0.00 0.00 175.17 173.52 1wpl s PRO 52 N -3.23 2.22 0.48 8.23 0.02 -1.26 -3.49 135.00 137.97 1wpl s PRO 52 Ca 0.62 1.13 0.16 0.00 0.02 0.00 0.00 61.00 62.93 1wpl s PRO 52 Cb -0.10 -1.90 1.16 0.00 0.02 0.00 0.00 34.50 33.69 1wpl s PRO 52 CO 0.15 -1.66 2.05 -1.00 -0.33 0.00 0.00 177.00 176.21 1wpl h PRO 53 N -1.14 0.20 -0.19 5.54 0.13 -1.83 -2.73 132.00 131.99 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 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1wpl h PRO 53 CO 0.52 0.13 0.05 -0.09 -0.23 0.00 0.00 178.00 178.39 1wpl h ARG 54 N 0.21 0.13 -0.95 0.86 2.43 -1.91 0.23 114.38 115.38 1wpl h ARG 54 Ca 0.16 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1wpl h ARG 54 Cb 0.38 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 1wpl h ARG 54 CO -0.03 0.09 0.63 0.82 -1.51 0.00 0.00 179.97 179.97 1wpl h ILE 55 N 0.14 1.23 -0.04 1.20 1.08 -1.86 -1.55 117.51 117.70 1wpl h ILE 55 Ca 0.08 -0.44 -0.11 0.00 -0.39 0.00 0.00 64.86 64.00 1wpl h ILE 55 Cb 0.06 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 33.64 1wpl h ILE 55 CO -0.09 0.23 -0.48 0.58 -0.69 0.00 0.00 178.15 177.70 1wpl h VAL 56 N 1.27 1.35 -0.28 1.67 2.07 -1.15 -2.00 116.25 119.18 1wpl h VAL 56 Ca 0.35 -1.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.10 1wpl h VAL 56 Cb -0.12 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1wpl h VAL 56 CO -0.08 0.49 -0.18 -0.07 0.02 0.00 0.00 177.57 177.74 1wpl h LEU 57 N 0.09 0.65 -0.74 2.57 3.38 0.20 -1.66 115.31 119.80 1wpl h LEU 57 Ca 0.00 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1wpl h LEU 57 Cb 0.89 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1wpl h LEU 57 CO 0.07 0.94 0.36 0.44 0.09 0.00 0.00 178.44 180.35 1wpl h ASP 58 N 0.37 0.96 -0.86 -0.43 3.32 -1.14 -1.49 116.42 117.15 1wpl h ASP 58 Ca 0.06 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1wpl h ASP 58 Cb 0.72 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1wpl h ASP 58 CO 0.05 0.82 0.47 0.11 -1.72 0.00 0.00 179.24 178.97 1wpl h LYS 59 N 1.04 1.21 0.00 3.56 1.57 -1.24 -1.84 116.57 120.86 1wpl h LYS 59 Ca 0.26 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 1wpl h LYS 59 Cb 0.10 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1wpl h LYS 59 CO -0.03 0.88 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.41 1wpl h LEU 60 N 1.21 0.00 -0.25 2.94 3.38 -0.80 -2.80 115.31 118.99 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 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1wpl h LEU 60 CO -0.05 0.25 0.12 -0.08 0.09 0.00 0.00 178.44 178.77 1wpl h GLU 61 N 0.00 0.37 -0.45 1.13 4.57 -0.43 0.15 114.58 119.92 1wpl h GLU 61 Ca -0.00 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1wpl h GLU 61 Cb 0.73 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 1wpl h GLU 61 CO 0.03 0.37 0.30 0.00 -1.18 0.00 0.00 179.01 178.53 1wpl n ARG 63 N -4.48 2.96 -2.33 0.00 3.00 -0.88 -4.91 116.66 110.02 1wpl n ARG 63 Ca 0.05 -1.65 -0.05 0.00 -0.01 0.00 0.00 57.85 56.19 1wpl n ARG 63 Cb 0.16 -1.85 0.01 0.00 0.00 0.00 0.00 32.46 30.78 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 0.42 0.31 3.68 -0.13 0.00 0.09 -5.01 105.19 104.55 1wpl n GLY 64 Ca 0.15 -0.60 -0.27 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 -2.54 2.90 -0.00 1.61 0.40 -0.01 -2.04 117.98 118.30 1wpl s PHE 65 Ca 0.05 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1wpl s PHE 65 Cb -0.02 -1.42 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 1wpl s PHE 65 CO 0.06 0.51 -0.08 0.50 0.70 0.00 0.00 175.22 176.91 1wpl s ARG 66 N -2.87 0.66 -0.03 0.44 3.52 -0.14 -4.21 118.95 116.33 1wpl s ARG 66 Ca 0.28 -0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.26 1wpl s ARG 66 Cb -0.10 -0.63 -0.05 0.00 -1.56 0.00 0.00 34.95 32.61 1wpl s ARG 66 CO 0.19 0.17 1.38 0.08 -0.81 0.00 0.00 175.30 176.31 1wpl s VAL 67 N -0.25 3.82 -0.24 7.11 1.01 -1.26 -0.66 120.40 129.93 1wpl s VAL 67 Ca 0.03 1.17 0.03 0.00 0.00 0.00 0.00 61.98 63.20 1wpl s VAL 67 Cb -0.03 -3.75 -0.18 0.00 0.00 0.00 0.00 36.38 32.41 1wpl s VAL 67 CO -0.00 -0.02 -0.15 0.18 0.00 0.00 0.00 175.10 175.11 1wpl n LEU 68 N 5.57 2.70 -3.59 3.92 4.32 0.83 -4.93 117.00 125.82 1wpl n LEU 68 Ca 0.13 -0.10 -0.15 0.00 -0.02 0.00 0.00 56.01 55.88 1wpl n LEU 68 Cb 0.44 -0.81 -0.06 0.00 -1.62 0.00 0.00 43.42 41.37 1wpl n LEU 68 CO 0.58 0.89 0.28 -0.55 -1.22 0.00 0.00 177.39 177.37 1wpl s SER 69 N -6.48 -0.46 -0.01 -1.43 0.15 -1.08 -5.01 113.70 99.38 1wpl s SER 69 Ca -0.32 0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.65 1wpl s SER 69 Cb 0.09 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1wpl s SER 69 CO 0.63 -0.64 -0.03 -0.32 1.20 0.00 0.00 173.24 174.08 1wpl s MET 70 N -1.90 0.37 0.17 5.44 1.75 -1.26 -0.37 119.30 123.50 1wpl s MET 70 Ca -0.08 -0.10 -0.09 0.00 -1.25 0.00 0.00 55.69 54.17 1wpl s MET 70 Cb -0.01 -0.40 -0.01 0.00 2.84 0.00 0.00 34.83 37.25 1wpl s MET 70 CO 0.03 0.03 0.29 -0.08 -0.65 0.00 0.00 175.02 174.64 1wpl s THR 71 N 0.19 0.06 -0.06 10.11 -1.32 -0.10 -5.00 115.64 119.52 1wpl s THR 71 Ca -0.02 -1.44 0.03 0.00 -1.21 0.00 0.00 61.69 59.05 1wpl s THR 71 Cb -0.05 -1.92 -0.02 0.00 -1.51 0.00 0.00 72.50 68.99 1wpl s THR 71 CO -0.00 -0.25 -0.14 -0.83 -2.21 0.00 0.00 174.62 171.18 1wpl s GLY 72 N -2.99 1.52 -0.19 6.08 0.00 -1.26 -0.32 107.32 110.17 1wpl s GLY 72 Ca 0.19 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 43.91 1wpl s GLY 72 CO 0.02 -0.66 0.06 0.54 0.00 0.00 0.00 173.10 173.06 1wpl s VAL 73 N -0.52 0.26 0.00 1.40 0.11 0.17 -4.99 120.40 116.83 1wpl s VAL 73 Ca 0.07 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1wpl s VAL 73 Cb -0.12 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1wpl s VAL 73 CO 0.01 -0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.13 1wpl n GLY 74 N 5.15 1.62 1.24 6.54 0.00 -1.26 -1.52 105.19 116.96 1wpl n GLY 74 Ca -0.08 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 12.82 3.47 -4.24 1.61 1.13 -1.26 -4.94 117.38 125.97 1wpl n GLN 75 Ca 0.00 -2.74 -0.35 0.00 -1.94 0.00 0.00 57.00 51.97 1wpl n GLN 75 Cb 0.00 -1.80 -0.10 0.00 0.11 0.00 0.00 30.24 28.45 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 -2.06 4.44 -0.18 5.09 2.01 -0.57 0.22 115.64 124.59 1wpl s THR 76 Ca 0.43 -0.18 -0.09 0.00 0.31 0.00 0.00 61.69 62.17 1wpl s THR 76 Cb 0.30 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 1wpl s THR 76 CO 0.17 0.54 0.11 -0.22 -0.69 0.00 0.00 174.62 174.53 1wpl s LEU 77 N -0.26 4.10 0.01 4.42 2.96 0.45 -0.65 118.68 129.70 1wpl s LEU 77 Ca 0.07 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.25 1wpl s LEU 77 Cb -0.12 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1wpl s LEU 77 CO 0.02 0.21 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.38 1wpl s VAL 78 N 0.15 1.50 -0.08 1.68 1.01 0.56 -1.28 120.40 123.94 1wpl s VAL 78 Ca 0.08 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1wpl s VAL 78 Cb -0.12 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 1wpl s VAL 78 CO -0.01 0.31 -0.22 0.26 0.00 0.00 0.00 175.10 175.44 1wpl s TRP 79 N -0.59 2.26 -0.35 5.22 0.51 0.37 -0.92 118.94 125.43 1wpl s TRP 79 Ca 0.07 -0.82 -0.09 0.00 -2.12 0.00 0.00 56.10 53.14 1wpl s TRP 79 Cb -0.08 -1.51 0.02 0.00 -0.81 0.00 0.00 33.47 31.09 1wpl s TRP 79 CO 0.00 -0.31 0.16 0.00 -0.51 0.00 0.00 176.95 176.29 1wpl s LEU 81 N 1.52 3.39 0.00 0.00 1.02 -0.09 -0.12 118.68 124.40 1wpl s LEU 81 Ca 0.02 -0.24 0.05 0.00 0.02 0.00 0.00 54.13 53.97 1wpl s LEU 81 Cb -0.19 -2.11 -0.02 0.00 0.02 0.00 0.00 46.19 43.90 1wpl s LEU 81 CO 0.05 0.16 -0.16 -2.28 0.02 0.00 0.00 176.35 174.14 1wpl s HIS 82 N -1.38 1.41 -0.79 0.29 2.46 0.17 -0.82 115.29 116.61 1wpl s HIS 82 Ca 0.26 -0.29 -0.26 0.00 0.47 0.00 0.00 55.06 55.24 1wpl s HIS 82 Cb -0.11 -0.89 0.01 0.00 -0.13 0.00 0.00 32.58 31.46 1wpl s HIS 82 CO 0.18 0.00 1.59 0.21 -2.47 0.00 0.00 174.74 174.25 1wpl s LYS 83 N -0.60 3.02 0.00 2.88 2.36 -0.04 -0.96 119.74 126.39 1wpl s LYS 83 Ca 0.05 -0.21 0.00 0.00 -2.55 0.00 0.00 55.97 53.26 1wpl s LYS 83 Cb -0.07 -4.64 0.00 0.00 -1.05 0.00 0.00 37.83 32.07 1wpl s LYS 83 CO 0.00 -2.53 0.49 0.39 1.55 0.00 0.00 175.35 175.25