#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 0.64 -6.53 0.03 0.13 -1.97 -3.46 132.00 120.84 1wpl h PRO 2 Ca 0.00 -0.66 -0.53 0.00 -0.87 0.00 0.00 66.00 63.94 1wpl h PRO 2 Cb 0.00 0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 1wpl h PRO 2 CO 0.00 1.26 0.18 0.71 -0.23 0.00 0.00 178.00 179.93 1wpl s TYR 3 N -3.34 3.91 0.01 1.56 1.51 -1.26 -0.91 117.35 118.83 1wpl s TYR 3 Ca -0.11 1.64 0.03 0.00 -1.01 0.00 0.00 57.07 57.62 1wpl s TYR 3 Cb 0.06 -2.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.13 1wpl s TYR 3 CO 0.89 0.51 -0.08 -1.17 -1.11 0.00 0.00 175.55 174.59 1wpl s LEU 4 N -1.17 2.07 -0.12 -1.29 2.96 0.02 -5.01 118.68 116.14 1wpl s LEU 4 Ca 0.36 -0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1wpl s LEU 4 Cb -0.23 -0.37 0.02 0.00 0.50 0.00 0.00 46.19 46.11 1wpl s LEU 4 CO 0.26 0.04 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.49 1wpl s LEU 5 N -0.48 1.26 0.14 -0.68 1.43 -1.26 -0.78 118.68 118.32 1wpl s LEU 5 Ca 0.01 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 52.85 1wpl s LEU 5 Cb -0.04 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 1wpl s LEU 5 CO -0.00 -0.11 -0.16 0.27 0.23 0.00 0.00 176.35 176.59 1wpl s ILE 6 N 1.64 1.55 0.19 -0.59 -4.36 -0.79 -4.36 121.20 114.48 1wpl s ILE 6 Ca 0.04 -1.83 -0.13 0.00 -0.26 0.00 0.00 60.65 58.48 1wpl s ILE 6 Cb -0.13 -1.69 0.01 0.00 1.25 0.00 0.00 42.46 41.90 1wpl s ILE 6 CO -0.08 -0.38 0.40 -0.94 0.24 0.00 0.00 174.94 174.18 1wpl s SER 7 N -2.59 -0.09 -0.03 4.36 1.04 -0.25 -0.36 113.70 115.79 1wpl s SER 7 Ca 0.12 -0.74 -0.12 0.00 0.48 0.00 0.00 55.95 55.69 1wpl s SER 7 Cb -0.05 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1wpl s SER 7 CO 0.05 -0.99 0.26 0.28 0.98 0.00 0.00 173.24 173.82 1wpl s THR 8 N -3.94 0.05 0.13 2.02 -1.32 -0.34 0.19 115.64 112.43 1wpl s THR 8 Ca 0.15 -0.45 0.02 0.00 -1.21 0.00 0.00 61.69 60.20 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 0.00 -0.25 0.24 -1.10 -2.21 0.00 0.00 174.62 171.30 1wpl s GLN 9 N -1.10 3.33 0.00 7.08 -0.21 -1.26 -0.31 119.66 127.20 1wpl s GLN 9 Ca -0.12 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1wpl s GLN 9 Cb -0.05 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 31.03 1wpl s GLN 9 CO 0.03 0.54 0.00 -0.89 -2.12 0.00 0.00 175.29 172.85 1wpl n ILE 10 N -0.29 0.00 -5.12 1.08 5.41 1.00 -4.56 119.36 116.88 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 39.30 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 0.31 0.38 1.81 -1.26 -4.98 118.95 118.04 1wpl s ARG 11 Ca 0.00 -0.83 0.17 0.00 -1.72 0.00 0.00 55.73 53.35 1wpl s ARG 11 Cb 0.00 -2.31 0.13 0.00 -0.45 0.00 0.00 34.95 32.32 1wpl s ARG 11 CO 0.00 0.33 1.45 0.00 -0.68 0.00 0.00 175.30 176.40 1wpl h MET 12 N 6.27 0.00 -0.42 3.54 -0.00 -1.94 -3.33 114.93 119.05 1wpl h MET 12 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 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 0.49 0.35 0.00 -0.85 -0.00 0.00 0.00 176.91 176.90 1wpl n GLU 13 N -3.17 0.77 -3.58 -0.10 0.00 -1.26 -4.12 120.64 109.19 1wpl n GLU 13 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.04 1wpl n GLU 13 Cb 0.68 -1.21 -0.05 0.00 0.00 0.00 0.00 31.44 30.86 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 0.03 0.00 3.84 0.11 -1.25 -4.91 120.40 116.77 1wpl s VAL 14 Ca 0.00 -0.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 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 -0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 1wpl n GLY 15 N 0.43 -0.51 3.81 6.54 0.00 -1.25 -4.67 105.19 109.54 1wpl n GLY 15 Ca -0.18 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.66 2.18 -0.14 1.61 0.04 -1.26 -4.98 135.00 130.78 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 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1wpl s PRO 16 CO 0.00 -1.56 -0.21 0.99 0.04 0.00 0.00 177.00 176.26 1wpl s THR 17 N -3.16 2.02 -0.05 1.26 2.01 0.44 -4.47 115.64 113.69 1wpl s THR 17 Ca 0.60 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 1wpl s THR 17 Cb -0.14 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1wpl s THR 17 CO 0.54 0.54 0.95 -0.04 -0.69 0.00 0.00 174.62 175.92 1wpl s MET 18 N 0.90 4.49 -0.02 4.92 -1.94 0.13 -1.63 119.30 126.14 1wpl s MET 18 Ca -0.05 1.33 0.03 0.00 -1.71 0.00 0.00 55.69 55.30 1wpl s MET 18 Cb -0.15 -3.49 0.05 0.00 2.01 0.00 0.00 34.83 33.25 1wpl s MET 18 CO -0.04 -0.14 0.93 1.33 -0.01 0.00 0.00 175.02 177.10 1wpl n VAL 19 N 4.14 0.92 0.00 -6.03 0.24 0.63 -1.09 118.33 117.13 1wpl n VAL 19 Ca 0.06 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 1wpl n VAL 19 Cb 0.50 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 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 -0.55 1.85 0.49 7.63 0.00 -1.17 -4.87 105.19 108.57 1wpl n GLY 20 Ca 0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 0.52 -0.34 1.61 5.75 -1.26 0.19 116.55 123.02 1wpl n ASP 21 Ca 0.00 -1.21 0.02 0.00 -0.01 0.00 0.00 54.79 53.59 1wpl n ASP 21 Cb 0.00 -0.04 0.16 0.00 -1.03 0.00 0.00 41.12 40.21 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 1.01 -0.90 0.11 5.08 -1.95 -2.57 114.58 115.36 1wpl h GLU 22 Ca -0.04 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.08 1wpl h GLU 22 Cb 0.16 -0.23 -0.11 0.00 0.50 0.00 0.00 28.75 29.07 1wpl h GLU 22 CO 0.05 0.67 0.23 0.72 -1.00 0.00 0.00 179.01 179.69 1wpl n HIS 23 N -4.58 1.57 -2.30 4.33 8.25 -1.26 -4.95 115.22 116.29 1wpl n HIS 23 Ca 0.14 -0.94 -0.32 0.00 -0.26 0.00 0.00 57.72 56.33 1wpl n HIS 23 Cb 0.20 -0.53 -0.02 0.00 1.12 0.00 0.00 29.99 30.75 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 -0.39 6.37 -0.24 0.41 0.01 -0.97 -4.93 113.70 113.96 1wpl s SER 24 Ca 0.33 1.65 -0.30 0.00 1.31 0.00 0.00 55.95 58.94 1wpl s SER 24 Cb 0.27 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.91 1wpl s SER 24 CO 0.08 -0.76 2.21 -0.67 0.41 0.00 0.00 173.24 174.51 1wpl n ASP 25 N -1.70 3.03 -0.32 2.44 -0.08 -1.26 -4.84 116.55 113.82 1wpl n ASP 25 Ca 0.07 0.26 0.08 0.00 -1.51 0.00 0.00 54.79 53.69 1wpl n ASP 25 Cb 0.54 -1.49 0.29 0.00 2.34 0.00 0.00 41.12 42.79 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 14.41 0.87 -0.20 -0.67 0.11 -1.96 -0.57 132.00 144.00 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 1.26 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1wpl h PRO 26 CO 0.97 0.57 -0.06 1.49 -0.21 0.00 0.00 178.00 180.77 1wpl h GLU 27 N 0.89 0.39 -0.60 1.05 4.81 -1.99 -1.15 114.58 117.98 1wpl h GLU 27 Ca 0.46 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1wpl h GLU 27 Cb 0.51 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1wpl h GLU 27 CO -0.22 0.65 0.37 1.25 -0.73 0.00 0.00 179.01 180.33 1wpl h LEU 28 N 0.10 0.72 -0.95 1.64 5.85 -1.80 0.78 115.31 121.65 1wpl h LEU 28 Ca 0.05 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1wpl h LEU 28 Cb 0.52 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1wpl h LEU 28 CO 0.02 0.57 0.63 0.24 -0.34 0.00 0.00 178.44 179.56 1wpl h MET 29 N 0.82 1.23 -0.53 1.25 2.86 -1.03 -1.49 114.93 118.03 1wpl h MET 29 Ca 0.22 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.66 1wpl h MET 29 Cb -0.02 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.34 1wpl h MET 29 CO -0.04 0.81 -0.14 0.37 1.06 0.00 0.00 176.91 178.97 1wpl h GLN 30 N 1.26 1.03 -0.33 1.72 4.15 -0.41 -1.21 115.11 121.32 1wpl h GLN 30 Ca 0.36 -0.40 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1wpl h GLN 30 Cb -0.09 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1wpl h GLN 30 CO -0.09 1.09 0.16 1.96 -1.93 0.00 0.00 178.83 180.01 1wpl h GLN 31 N 0.90 0.45 0.00 1.69 4.20 -0.23 -0.94 115.11 121.19 1wpl h GLN 31 Ca 0.13 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1wpl h GLN 31 Cb 0.72 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1wpl h GLN 31 CO 0.06 0.36 -0.04 1.28 -0.67 0.00 0.00 178.83 179.82 1wpl n LEU 32 N -4.43 0.62 -0.06 1.46 4.77 -0.62 -4.92 117.00 113.82 1wpl n LEU 32 Ca 0.02 0.53 -0.01 0.00 -0.03 0.00 0.00 56.01 56.53 1wpl n LEU 32 Cb 0.12 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1wpl n LEU 32 CO 0.36 -0.13 -0.01 0.61 -1.33 0.00 0.00 177.39 176.89 1wpl n GLY 33 N 1.36 0.36 3.83 -0.72 0.00 -0.36 -4.98 105.19 104.67 1wpl n GLY 33 Ca 0.06 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.03 3.42 0.26 4.61 0.00 -0.50 -4.82 121.76 122.69 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 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1wpl s ALA 34 CO 0.00 0.35 0.13 -1.12 0.00 0.00 0.00 175.76 175.11 1wpl s SER 35 N -1.80 5.13 -0.09 0.00 0.01 -0.54 -4.68 113.70 111.73 1wpl s SER 35 Ca 0.45 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 57.26 1wpl s SER 35 Cb -0.15 -1.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.88 1wpl s SER 35 CO 0.20 -0.05 0.03 -0.75 0.41 0.00 0.00 173.24 173.08 1wpl s LYS 36 N -3.79 3.07 0.25 12.44 2.20 -1.26 -1.20 119.74 131.45 1wpl s LYS 36 Ca 0.33 -0.35 -0.16 0.00 -0.36 0.00 0.00 55.97 55.43 1wpl s LYS 36 Cb -0.07 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 1wpl s LYS 36 CO 0.23 0.72 0.55 -0.98 -0.36 0.00 0.00 175.35 175.51 1wpl s ARG 37 N -0.92 1.60 -0.34 4.03 1.70 0.01 -4.97 118.95 120.07 1wpl s ARG 37 Ca 0.14 -1.13 -0.01 0.00 -0.47 0.00 0.00 55.73 54.25 1wpl s ARG 37 Cb -0.11 0.52 0.12 0.00 -0.57 0.00 0.00 34.95 34.90 1wpl s ARG 37 CO 0.03 -0.69 0.17 0.50 -1.08 0.00 0.00 175.30 174.22 1wpl s ARG 38 N -3.97 0.59 0.30 3.89 3.52 -1.26 -0.29 118.95 121.72 1wpl s ARG 38 Ca 0.18 -1.14 -0.29 0.00 -0.13 0.00 0.00 55.73 54.34 1wpl s ARG 38 Cb -0.02 -1.57 -0.10 0.00 -1.56 0.00 0.00 34.95 31.69 1wpl s ARG 38 CO 0.07 -1.10 1.41 0.08 -0.81 0.00 0.00 175.30 174.95 1wpl s VAL 39 N 1.39 2.56 -0.02 7.11 1.01 -1.26 -4.90 120.40 126.28 1wpl s VAL 39 Ca 0.13 0.51 -0.37 0.00 0.00 0.00 0.00 61.98 62.26 1wpl s VAL 39 Cb -0.20 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 1wpl s VAL 39 CO -0.16 0.10 1.59 -0.11 0.00 0.00 0.00 175.10 176.52 1wpl n LEU 40 N 1.53 2.46 0.00 3.92 0.00 -1.26 -1.20 117.00 122.45 1wpl n LEU 40 Ca 0.04 1.07 0.00 0.00 0.00 0.00 0.00 56.01 57.12 1wpl n LEU 40 Cb 0.40 -1.26 0.00 0.00 0.00 0.00 0.00 43.42 42.57 1wpl n LEU 40 CO 0.61 -0.56 0.00 0.61 0.00 0.00 0.00 177.39 178.05 1wpl n GLY 41 N 3.47 2.41 3.83 -3.96 0.00 -1.26 -5.06 105.19 104.62 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 -0.47 6.69 -0.90 1.61 0.01 -0.34 -5.00 114.94 116.54 1wpl s ASN 42 Ca 0.00 0.82 -0.00 0.00 -0.71 0.00 0.00 52.86 52.96 1wpl s ASN 42 Cb 0.00 -2.21 0.34 0.00 0.41 0.00 0.00 41.25 39.79 1wpl s ASN 42 CO 0.00 0.30 1.77 0.59 -1.51 0.00 0.00 177.10 178.26 1wpl n ASN 43 N 2.12 7.02 -3.59 -1.22 5.03 -1.26 -4.77 115.26 118.60 1wpl n ASN 43 Ca -0.15 -3.74 -0.05 0.00 0.87 0.00 0.00 54.58 51.52 1wpl n ASN 43 Cb 0.53 -1.05 -0.02 0.00 -1.02 0.00 0.00 39.78 38.22 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 -4.14 -0.16 0.28 3.10 -0.12 -1.26 -5.17 117.98 110.52 1wpl s PHE 44 Ca 0.44 0.11 0.00 0.00 -0.05 0.00 0.00 56.93 57.44 1wpl s PHE 44 Cb 0.29 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 43.15 1wpl s PHE 44 CO -0.23 -0.24 0.48 0.71 -0.05 0.00 0.00 175.22 175.89 1wpl s TYR 45 N -2.38 3.49 0.05 3.49 1.51 -1.26 -4.55 117.35 117.69 1wpl s TYR 45 Ca 0.08 0.33 -0.04 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 39.96 1wpl s TYR 45 CO -0.05 0.25 0.05 -1.83 -1.11 0.00 0.00 175.55 172.86 1wpl s GLU 46 N -3.90 0.61 -0.11 -0.62 -1.05 0.60 -3.90 118.70 110.33 1wpl s GLU 46 Ca 0.39 -0.96 -0.01 0.00 -0.15 0.00 0.00 54.97 54.24 1wpl s GLU 46 Cb -0.10 0.23 -0.03 0.00 -0.44 0.00 0.00 34.13 33.79 1wpl s GLU 46 CO 0.32 -0.14 -0.07 0.71 0.95 0.00 0.00 175.26 177.03 1wpl s TYR 47 N -3.22 2.95 0.14 4.83 1.51 0.13 -0.81 117.35 122.89 1wpl s TYR 47 Ca 0.00 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 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 -0.07 0.09 0.12 1.52 -1.11 0.00 0.00 175.55 176.09 1wpl s TYR 48 N -0.12 0.77 0.04 2.71 -0.85 -0.34 -0.27 117.35 119.28 1wpl s TYR 48 Ca 0.01 -1.13 -0.00 0.00 -0.52 0.00 0.00 57.07 55.43 1wpl s TYR 48 Cb -0.13 -0.38 -0.03 0.00 0.38 0.00 0.00 41.96 41.80 1wpl s TYR 48 CO 0.03 -0.58 -0.03 0.14 -1.52 0.00 0.00 175.55 173.59 1wpl s VAL 49 N -4.04 0.21 -1.98 -3.49 -7.23 -0.65 -1.47 120.40 101.75 1wpl s VAL 49 Ca 0.23 -1.37 0.30 0.00 -1.81 0.00 0.00 61.98 59.34 1wpl s VAL 49 Cb 0.06 -0.91 0.70 0.00 0.56 0.00 0.00 36.38 36.80 1wpl s VAL 49 CO 0.02 -0.73 2.03 0.59 -0.31 0.00 0.00 175.10 176.70 1wpl n ASN 50 N 0.85 0.43 -4.81 4.85 3.02 -1.26 -0.42 115.26 117.91 1wpl n ASN 50 Ca -0.19 -0.94 -0.33 0.00 -0.03 0.00 0.00 54.58 53.09 1wpl n ASN 50 Cb 0.58 -0.04 -0.04 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 -2.15 6.53 0.78 6.41 1.01 -1.26 -3.84 116.67 124.15 1wpl s ASP 51 Ca 0.40 1.78 -0.11 0.00 0.71 0.00 0.00 52.55 55.34 1wpl s ASP 51 Cb 0.21 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.66 1wpl s ASP 51 CO 0.39 -0.65 1.09 -2.84 0.21 0.00 0.00 175.17 173.37 1wpl s PRO 52 N -3.42 2.21 0.47 8.23 0.02 -1.26 -3.45 135.00 137.80 1wpl s PRO 52 Ca 0.64 1.03 0.14 0.00 0.02 0.00 0.00 61.00 62.83 1wpl s PRO 52 Cb -0.13 -1.90 1.10 0.00 0.02 0.00 0.00 34.50 33.59 1wpl s PRO 52 CO 0.21 -1.64 2.07 -1.00 -0.33 0.00 0.00 177.00 176.31 1wpl h PRO 53 N -1.12 0.26 -0.36 5.54 0.13 -1.83 -2.65 132.00 131.97 1wpl h PRO 53 Ca -0.45 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1wpl h PRO 53 Cb 1.24 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1wpl h PRO 53 CO 0.53 0.17 0.20 -0.09 -0.23 0.00 0.00 178.00 178.59 1wpl h ARG 54 N 0.27 0.40 -0.89 0.86 2.43 -1.92 0.16 114.38 115.69 1wpl h ARG 54 Ca 0.13 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1wpl h ARG 54 Cb 0.20 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1wpl h ARG 54 CO -0.03 0.26 0.51 0.82 -1.51 0.00 0.00 179.97 180.03 1wpl h ILE 55 N 0.41 1.25 -0.05 1.20 1.08 -1.85 -1.93 117.51 117.62 1wpl h ILE 55 Ca 0.15 -0.59 -0.11 0.00 -0.39 0.00 0.00 64.86 63.91 1wpl h ILE 55 Cb 0.02 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.78 1wpl h ILE 55 CO -0.08 0.28 -0.48 0.58 -0.69 0.00 0.00 178.15 177.76 1wpl h VAL 56 N 1.24 1.34 -0.35 1.67 2.07 -1.15 -2.09 116.25 118.98 1wpl h VAL 56 Ca 0.32 -1.67 -0.15 0.00 0.82 0.00 0.00 66.70 66.01 1wpl h VAL 56 Cb -0.01 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1wpl h VAL 56 CO -0.05 0.49 -0.38 -0.07 0.02 0.00 0.00 177.57 177.58 1wpl h LEU 57 N 0.11 0.94 -0.63 2.57 3.38 -0.15 -1.94 115.31 119.58 1wpl h LEU 57 Ca 0.00 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1wpl h LEU 57 Cb 0.89 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1wpl h LEU 57 CO 0.07 1.23 0.21 0.44 0.09 0.00 0.00 178.44 180.48 1wpl h ASP 58 N 0.68 0.91 -0.74 -0.43 3.32 -1.18 -1.69 116.42 117.29 1wpl h ASP 58 Ca 0.05 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1wpl h ASP 58 Cb 0.97 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 1wpl h ASP 58 CO 0.09 0.86 0.38 0.11 -1.72 0.00 0.00 179.24 178.97 1wpl h LYS 59 N 0.90 1.06 0.00 3.56 1.57 -1.26 -1.73 116.57 120.68 1wpl h LYS 59 Ca 0.21 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1wpl h LYS 59 Cb 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1wpl h LYS 59 CO -0.01 0.80 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.28 1wpl h LEU 60 N 1.06 0.00 -0.14 2.94 3.38 -1.04 -2.89 115.31 118.62 1wpl h LEU 60 Ca 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1wpl h LEU 60 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1wpl h LEU 60 CO -0.04 0.32 0.08 -0.08 0.09 0.00 0.00 178.44 178.81 1wpl h GLU 61 N 0.00 0.19 -0.40 1.13 4.57 -0.39 0.70 114.58 120.39 1wpl h GLU 61 Ca -0.00 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1wpl h GLU 61 Cb 0.83 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1wpl h GLU 61 CO 0.04 0.18 0.27 0.00 -1.18 0.00 0.00 179.01 178.32 1wpl n ARG 63 N -4.48 2.58 -2.40 0.00 3.00 -0.82 -4.91 116.66 109.63 1wpl n ARG 63 Ca 0.04 -1.52 -0.03 0.00 -0.01 0.00 0.00 57.85 56.34 1wpl n ARG 63 Cb 0.17 -1.67 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 0.61 0.55 3.56 -0.13 0.00 0.25 -5.00 105.19 105.03 1wpl n GLY 64 Ca 0.14 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.66 2.66 -0.01 1.61 0.40 0.18 -2.00 117.98 118.16 1wpl s PHE 65 Ca 0.04 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1wpl s PHE 65 Cb -0.02 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.14 1wpl s PHE 65 CO 0.06 0.44 -0.09 0.50 0.70 0.00 0.00 175.22 176.83 1wpl s ARG 66 N -2.39 0.74 0.01 0.44 3.52 -0.40 -4.08 118.95 116.78 1wpl s ARG 66 Ca 0.22 -0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.17 1wpl s ARG 66 Cb -0.10 -0.72 -0.05 0.00 -1.56 0.00 0.00 34.95 32.52 1wpl s ARG 66 CO 0.13 0.20 1.33 0.08 -0.81 0.00 0.00 175.30 176.23 1wpl s VAL 67 N -0.25 3.83 -0.25 7.11 1.01 -1.26 -0.88 120.40 129.71 1wpl s VAL 67 Ca 0.03 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.28 1wpl s VAL 67 Cb -0.04 -3.79 -0.18 0.00 0.00 0.00 0.00 36.38 32.38 1wpl s VAL 67 CO -0.00 0.02 -0.20 0.18 0.00 0.00 0.00 175.10 175.10 1wpl n LEU 68 N 5.04 2.66 -3.59 3.92 4.32 0.60 -4.93 117.00 125.03 1wpl n LEU 68 Ca 0.12 -0.12 -0.16 0.00 -0.02 0.00 0.00 56.01 55.82 1wpl n LEU 68 Cb 0.44 -0.76 -0.06 0.00 -1.62 0.00 0.00 43.42 41.42 1wpl n LEU 68 CO 0.57 0.89 0.31 -0.55 -1.22 0.00 0.00 177.39 177.40 1wpl s SER 69 N -6.41 -0.51 -0.02 -1.43 0.15 -1.10 -5.02 113.70 99.37 1wpl s SER 69 Ca -0.32 0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.82 1wpl s SER 69 Cb 0.09 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1wpl s SER 69 CO 0.62 -0.59 -0.08 -0.32 1.20 0.00 0.00 173.24 174.07 1wpl s MET 70 N -1.46 0.76 0.18 5.44 1.75 -1.26 -0.17 119.30 124.53 1wpl s MET 70 Ca -0.11 -0.26 -0.06 0.00 -1.25 0.00 0.00 55.69 54.01 1wpl s MET 70 Cb -0.01 -0.73 -0.02 0.00 2.84 0.00 0.00 34.83 36.91 1wpl s MET 70 CO 0.06 0.11 0.23 -0.08 -0.65 0.00 0.00 175.02 174.70 1wpl s THR 71 N 0.11 0.05 -0.08 10.11 -1.32 0.25 -4.99 115.64 119.77 1wpl s THR 71 Ca -0.01 -1.61 0.03 0.00 -1.21 0.00 0.00 61.69 58.88 1wpl s THR 71 Cb -0.07 -2.05 -0.02 0.00 -1.51 0.00 0.00 72.50 68.85 1wpl s THR 71 CO 0.00 -0.24 -0.17 -0.83 -2.21 0.00 0.00 174.62 171.17 1wpl s GLY 72 N -3.03 1.46 -0.20 6.08 0.00 -1.26 -0.31 107.32 110.06 1wpl s GLY 72 Ca 0.23 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 1wpl s GLY 72 CO 0.04 -0.50 0.05 0.54 0.00 0.00 0.00 173.10 173.23 1wpl s VAL 73 N -0.14 0.44 0.00 1.40 0.11 0.11 -5.00 120.40 117.32 1wpl s VAL 73 Ca -0.02 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 1wpl s VAL 73 Cb -0.14 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1wpl s VAL 73 CO 0.04 -0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 1wpl n GLY 74 N 5.08 1.54 1.00 6.54 0.00 -1.26 -1.64 105.19 116.45 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 12.61 3.13 -4.03 1.61 1.13 -1.26 -4.95 117.38 125.62 1wpl n GLN 75 Ca 0.00 -2.54 -0.35 0.00 -1.94 0.00 0.00 57.00 52.17 1wpl n GLN 75 Cb 0.00 -1.62 -0.08 0.00 0.11 0.00 0.00 30.24 28.65 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 -1.76 4.97 -0.18 5.09 2.01 -0.65 -0.00 115.64 125.10 1wpl s THR 76 Ca 0.37 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.31 1wpl s THR 76 Cb 0.25 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1wpl s THR 76 CO 0.17 0.55 0.09 -0.22 -0.69 0.00 0.00 174.62 174.52 1wpl s LEU 77 N -0.42 3.98 -0.01 4.42 2.96 0.58 -0.71 118.68 129.48 1wpl s LEU 77 Ca 0.10 0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.23 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 0.19 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.35 1wpl s VAL 78 N 0.27 1.59 -0.07 1.68 1.01 0.58 -1.20 120.40 124.26 1wpl s VAL 78 Ca 0.06 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.19 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 0.42 -0.23 0.26 0.00 0.00 0.00 175.10 175.54 1wpl s TRP 79 N -0.51 2.37 -0.33 5.22 0.51 0.52 -0.58 118.94 126.14 1wpl s TRP 79 Ca 0.08 -0.81 -0.07 0.00 -2.12 0.00 0.00 56.10 53.18 1wpl s TRP 79 Cb -0.08 -1.57 0.03 0.00 -0.81 0.00 0.00 33.47 31.04 1wpl s TRP 79 CO -0.00 -0.29 0.11 0.00 -0.51 0.00 0.00 176.95 176.26 1wpl s LEU 81 N 1.45 3.30 -0.01 0.00 1.02 0.04 -0.29 118.68 124.17 1wpl s LEU 81 Ca -0.00 -0.28 0.05 0.00 0.02 0.00 0.00 54.13 53.92 1wpl s LEU 81 Cb -0.19 -2.04 -0.01 0.00 0.02 0.00 0.00 46.19 43.97 1wpl s LEU 81 CO 0.03 0.16 -0.18 -2.28 0.02 0.00 0.00 176.35 174.11 1wpl s HIS 82 N -1.35 1.59 -0.69 0.29 2.46 -0.06 -0.80 115.29 116.73 1wpl s HIS 82 Ca 0.25 -0.30 -0.26 0.00 0.47 0.00 0.00 55.06 55.21 1wpl s HIS 82 Cb -0.11 -1.02 -0.00 0.00 -0.13 0.00 0.00 32.58 31.31 1wpl s HIS 82 CO 0.17 -0.03 1.65 0.21 -2.47 0.00 0.00 174.74 174.27 1wpl s LYS 83 N -0.41 2.85 0.00 2.88 2.36 -0.08 -1.28 119.74 126.05 1wpl s LYS 83 Ca 0.07 0.20 0.00 0.00 -2.55 0.00 0.00 55.97 53.69 1wpl s LYS 83 Cb -0.07 -4.39 0.00 0.00 -1.05 0.00 0.00 37.83 32.32 1wpl s LYS 83 CO -0.01 -2.55 0.44 0.39 1.55 0.00 0.00 175.35 175.17