#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 0.63 -6.45 0.03 0.13 -1.97 -3.46 132.00 120.91 1wpl h PRO 2 Ca 0.00 -0.69 -0.54 0.00 -0.87 0.00 0.00 66.00 63.90 1wpl h PRO 2 Cb 0.00 0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.29 1wpl h PRO 2 CO 0.00 1.28 0.10 0.71 -0.23 0.00 0.00 178.00 179.86 1wpl s TYR 3 N -3.28 3.81 0.01 1.56 1.51 -1.26 -0.61 117.35 119.09 1wpl s TYR 3 Ca -0.09 1.46 0.02 0.00 -1.01 0.00 0.00 57.07 57.45 1wpl s TYR 3 Cb 0.07 -2.64 -0.01 0.00 -0.11 0.00 0.00 41.96 39.27 1wpl s TYR 3 CO 0.91 0.49 -0.07 -1.17 -1.11 0.00 0.00 175.55 174.59 1wpl s LEU 4 N -1.37 2.08 -0.10 -1.29 2.96 -0.15 -5.01 118.68 115.79 1wpl s LEU 4 Ca 0.36 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1wpl s LEU 4 Cb -0.20 -0.32 0.02 0.00 0.50 0.00 0.00 46.19 46.19 1wpl s LEU 4 CO 0.23 0.01 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.43 1wpl s LEU 5 N -0.55 1.22 0.14 -0.68 1.43 -1.26 -0.91 118.68 118.07 1wpl s LEU 5 Ca -0.00 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1wpl s LEU 5 Cb -0.05 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 1wpl s LEU 5 CO 0.00 -0.10 -0.14 0.27 0.23 0.00 0.00 176.35 176.61 1wpl s ILE 6 N 1.55 1.43 0.21 -0.59 -4.36 -0.82 -4.39 121.20 114.23 1wpl s ILE 6 Ca 0.02 -1.85 -0.13 0.00 -0.26 0.00 0.00 60.65 58.43 1wpl s ILE 6 Cb -0.13 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.90 1wpl s ILE 6 CO -0.06 -0.47 0.44 -0.94 0.24 0.00 0.00 174.94 174.15 1wpl s SER 7 N -2.68 -0.10 -0.08 4.36 1.04 -0.43 -0.46 113.70 115.36 1wpl s SER 7 Ca 0.13 -0.80 -0.16 0.00 0.48 0.00 0.00 55.95 55.60 1wpl s SER 7 Cb -0.04 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1wpl s SER 7 CO 0.04 -1.05 0.38 0.28 0.98 0.00 0.00 173.24 173.87 1wpl s THR 8 N -3.97 0.03 0.11 2.02 -1.32 -0.41 0.08 115.64 112.17 1wpl s THR 8 Ca 0.17 -0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.44 1wpl s THR 8 Cb 0.00 -0.63 -0.04 0.00 -1.51 0.00 0.00 72.50 70.33 1wpl s THR 8 CO 0.03 -0.13 0.26 -1.10 -2.21 0.00 0.00 174.62 171.48 1wpl s GLN 9 N -0.66 3.45 0.00 7.08 -0.21 -1.26 -0.40 119.66 127.65 1wpl s GLN 9 Ca -0.08 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 54.80 1wpl s GLN 9 Cb -0.04 -2.99 0.00 0.00 1.00 0.00 0.00 33.01 30.98 1wpl s GLN 9 CO 0.03 0.55 0.00 -0.89 -2.12 0.00 0.00 175.29 172.87 1wpl n ILE 10 N -0.17 0.00 -5.16 1.08 5.41 0.16 -4.58 119.36 116.10 1wpl n ILE 10 Ca -0.06 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.37 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 2.54 0.22 0.38 1.81 -1.26 -4.97 118.95 117.66 1wpl s ARG 11 Ca 0.00 -0.85 0.15 0.00 -1.72 0.00 0.00 55.73 53.31 1wpl s ARG 11 Cb 0.00 -2.22 -0.00 0.00 -0.45 0.00 0.00 34.95 32.28 1wpl s ARG 11 CO 0.00 0.44 1.27 0.00 -0.68 0.00 0.00 175.30 176.34 1wpl h MET 12 N 5.89 0.00 -0.40 3.54 -0.00 -1.93 -3.34 114.93 118.67 1wpl h MET 12 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.34 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 0.47 0.00 -0.85 -0.00 0.00 0.00 176.91 177.01 1wpl n GLU 13 N -3.14 0.69 -3.58 -0.10 0.00 -1.26 -4.08 120.64 109.17 1wpl n GLU 13 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.03 1wpl n GLU 13 Cb 0.77 -1.20 -0.04 0.00 0.00 0.00 0.00 31.44 30.96 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 -1.41 0.05 0.00 3.84 0.11 -1.26 -4.90 120.40 116.83 1wpl s VAL 14 Ca 0.00 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1wpl s VAL 14 Cb 0.00 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 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 -0.09 0.26 3.81 6.54 0.00 -1.25 -4.61 105.19 109.85 1wpl n GLY 15 Ca -0.17 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.15 2.35 -0.13 1.61 0.04 -1.26 -4.99 135.00 130.48 1wpl s PRO 16 Ca 0.00 0.70 0.02 0.00 0.04 0.00 0.00 61.00 61.76 1wpl s PRO 16 Cb 0.00 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1wpl s PRO 16 CO 0.00 -1.45 -0.20 0.99 0.04 0.00 0.00 177.00 176.38 1wpl s THR 17 N -3.15 1.88 -0.03 1.26 2.01 -0.04 -4.46 115.64 113.11 1wpl s THR 17 Ca 0.60 -0.88 -0.28 0.00 0.31 0.00 0.00 61.69 61.44 1wpl s THR 17 Cb -0.14 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1wpl s THR 17 CO 0.54 0.52 0.91 -0.04 -0.69 0.00 0.00 174.62 175.85 1wpl s MET 18 N 0.81 4.50 -0.00 4.92 -1.94 0.11 -1.69 119.30 126.01 1wpl s MET 18 Ca -0.08 1.26 0.00 0.00 -1.71 0.00 0.00 55.69 55.16 1wpl s MET 18 Cb -0.16 -3.47 0.01 0.00 2.01 0.00 0.00 34.83 33.22 1wpl s MET 18 CO -0.01 -0.06 0.88 1.33 -0.01 0.00 0.00 175.02 177.15 1wpl n VAL 19 N 3.97 0.76 0.00 -6.03 0.24 0.30 -1.31 118.33 116.26 1wpl n VAL 19 Ca 0.04 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1wpl n VAL 19 Cb 0.51 0.61 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 -0.39 1.47 1.55 7.63 0.00 -1.18 -4.86 105.19 109.42 1wpl n GLY 20 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 1.16 -0.32 1.61 5.75 -1.26 0.08 116.55 123.57 1wpl n ASP 21 Ca 0.00 -1.67 0.04 0.00 -0.01 0.00 0.00 54.79 53.15 1wpl n ASP 21 Cb 0.00 -0.11 0.19 0.00 -1.03 0.00 0.00 41.12 40.16 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 0.86 -0.91 0.11 5.08 -1.96 -2.17 114.58 115.59 1wpl h GLU 22 Ca -0.12 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.03 1wpl h GLU 22 Cb 0.50 -0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.47 1wpl h GLU 22 CO 0.18 0.57 0.20 0.72 -1.00 0.00 0.00 179.01 179.68 1wpl n HIS 23 N -4.69 1.40 -2.13 4.33 8.25 -1.26 -4.94 115.22 116.18 1wpl n HIS 23 Ca 0.15 -0.87 -0.32 0.00 -0.26 0.00 0.00 57.72 56.42 1wpl n HIS 23 Cb 0.29 -0.49 -0.01 0.00 1.12 0.00 0.00 29.99 30.90 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 -0.29 6.20 -0.22 0.41 0.01 -0.82 -4.93 113.70 114.06 1wpl s SER 24 Ca 0.29 1.62 -0.29 0.00 1.31 0.00 0.00 55.95 58.88 1wpl s SER 24 Cb 0.24 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.90 1wpl s SER 24 CO 0.07 -0.88 2.20 -0.67 0.41 0.00 0.00 173.24 174.36 1wpl n ASP 25 N -2.04 3.17 -0.36 2.44 -0.08 -1.26 -4.85 116.55 113.56 1wpl n ASP 25 Ca 0.07 0.29 0.05 0.00 -1.51 0.00 0.00 54.79 53.69 1wpl n ASP 25 Cb 0.54 -1.51 0.21 0.00 2.34 0.00 0.00 41.12 42.69 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 14.29 1.02 -0.21 -0.67 0.11 -1.95 -0.52 132.00 144.07 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 0.68 0.03 1.49 -0.21 0.00 0.00 178.00 180.95 1wpl h GLU 27 N 1.05 0.35 -0.74 1.05 4.81 -1.99 -0.92 114.58 118.20 1wpl h GLU 27 Ca 0.46 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1wpl h GLU 27 Cb 0.35 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1wpl h GLU 27 CO -0.23 0.50 0.45 1.25 -0.73 0.00 0.00 179.01 180.25 1wpl h LEU 28 N 0.14 0.88 -0.82 1.64 5.85 -1.82 0.13 115.31 121.30 1wpl h LEU 28 Ca 0.06 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1wpl h LEU 28 Cb 0.32 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1wpl h LEU 28 CO 0.00 0.68 0.48 0.24 -0.34 0.00 0.00 178.44 179.51 1wpl h MET 29 N 1.01 1.13 -0.52 1.25 2.86 -0.93 -1.74 114.93 117.98 1wpl h MET 29 Ca 0.27 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.68 1wpl h MET 29 Cb -0.04 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.37 1wpl h MET 29 CO -0.05 0.81 -0.11 0.37 1.06 0.00 0.00 176.91 178.99 1wpl h GLN 30 N 1.14 0.97 -0.45 1.72 4.15 -0.41 -1.41 115.11 120.82 1wpl h GLN 30 Ca 0.29 -0.35 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1wpl h GLN 30 Cb -0.02 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1wpl h GLN 30 CO -0.05 1.02 0.27 1.96 -1.93 0.00 0.00 178.83 180.10 1wpl h GLN 31 N 0.87 0.60 0.00 1.69 4.20 -0.21 -1.31 115.11 120.95 1wpl h GLN 31 Ca 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1wpl h GLN 31 Cb 0.66 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1wpl h GLN 31 CO 0.05 0.42 0.00 1.28 -0.67 0.00 0.00 178.83 179.91 1wpl n LEU 32 N -4.45 0.68 0.00 1.46 4.77 -0.71 -4.91 117.00 113.85 1wpl n LEU 32 Ca 0.04 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1wpl n LEU 32 Cb 0.07 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1wpl n LEU 32 CO 0.36 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1wpl n GLY 33 N 1.31 0.45 3.81 -0.72 0.00 -0.49 -4.98 105.19 104.56 1wpl n GLY 33 Ca 0.06 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 3.30 0.26 4.61 0.00 -0.58 -4.83 121.76 122.52 1wpl s ALA 34 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.31 1wpl s ALA 34 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1wpl s ALA 34 CO 0.00 0.26 0.11 -1.12 0.00 0.00 0.00 175.76 175.02 1wpl s SER 35 N -1.81 5.12 -0.10 0.00 0.01 -0.62 -4.67 113.70 111.63 1wpl s SER 35 Ca 0.49 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 57.31 1wpl s SER 35 Cb -0.15 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 1wpl s SER 35 CO 0.20 -0.02 0.02 -0.75 0.41 0.00 0.00 173.24 173.10 1wpl s LYS 36 N -3.76 3.09 0.23 12.44 2.20 -1.26 -1.31 119.74 131.37 1wpl s LYS 36 Ca 0.32 -0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 55.40 1wpl s LYS 36 Cb -0.07 -2.86 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 1wpl s LYS 36 CO 0.23 0.69 0.53 -0.98 -0.36 0.00 0.00 175.35 175.46 1wpl s ARG 37 N -0.83 1.50 -0.33 4.03 1.70 0.03 -4.97 118.95 120.09 1wpl s ARG 37 Ca 0.13 -1.03 -0.01 0.00 -0.47 0.00 0.00 55.73 54.35 1wpl s ARG 37 Cb -0.12 0.51 0.11 0.00 -0.57 0.00 0.00 34.95 34.89 1wpl s ARG 37 CO 0.02 -0.64 0.13 0.50 -1.08 0.00 0.00 175.30 174.23 1wpl s ARG 38 N -3.93 0.70 0.30 3.89 3.52 -1.26 -0.17 118.95 122.00 1wpl s ARG 38 Ca 0.14 -1.14 -0.29 0.00 -0.13 0.00 0.00 55.73 54.32 1wpl s ARG 38 Cb -0.02 -1.86 -0.10 0.00 -1.56 0.00 0.00 34.95 31.42 1wpl s ARG 38 CO 0.03 -1.03 1.34 0.08 -0.81 0.00 0.00 175.30 174.91 1wpl s VAL 39 N 1.48 2.73 -0.02 7.11 1.01 -1.26 -4.91 120.40 126.54 1wpl s VAL 39 Ca 0.11 0.70 -0.36 0.00 0.00 0.00 0.00 61.98 62.43 1wpl s VAL 39 Cb -0.18 -3.44 -0.14 0.00 0.00 0.00 0.00 36.38 32.61 1wpl s VAL 39 CO -0.22 0.15 1.67 -0.11 0.00 0.00 0.00 175.10 176.60 1wpl n LEU 40 N 1.27 2.85 0.00 3.92 0.00 -1.26 -1.00 117.00 122.78 1wpl n LEU 40 Ca 0.02 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.08 1wpl n LEU 40 Cb 0.41 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.52 1wpl n LEU 40 CO 0.59 -0.36 0.00 0.61 0.00 0.00 0.00 177.39 178.24 1wpl n GLY 41 N 3.75 2.77 3.84 -3.96 0.00 -1.26 -5.06 105.19 105.27 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 -0.71 6.66 -0.86 1.61 0.01 -0.17 -4.99 114.94 116.49 1wpl s ASN 42 Ca 0.00 0.78 -0.01 0.00 -0.71 0.00 0.00 52.86 52.92 1wpl s ASN 42 Cb 0.00 -2.19 0.35 0.00 0.41 0.00 0.00 41.25 39.81 1wpl s ASN 42 CO 0.00 0.33 1.83 0.59 -1.51 0.00 0.00 177.10 178.34 1wpl n ASN 43 N 2.01 7.09 -3.56 -1.22 5.03 -1.26 -4.76 115.26 118.59 1wpl n ASN 43 Ca -0.16 -3.77 -0.07 0.00 0.87 0.00 0.00 54.58 51.45 1wpl n ASN 43 Cb 0.53 -1.02 -0.03 0.00 -1.02 0.00 0.00 39.78 38.24 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 -4.09 -0.24 0.29 3.10 -0.12 -1.26 -5.17 117.98 110.50 1wpl s PHE 44 Ca 0.47 0.21 -0.01 0.00 -0.05 0.00 0.00 56.93 57.56 1wpl s PHE 44 Cb 0.35 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 43.21 1wpl s PHE 44 CO -0.29 -0.33 0.50 0.71 -0.05 0.00 0.00 175.22 175.76 1wpl s TYR 45 N -2.34 3.49 0.04 3.49 1.51 -1.26 -4.54 117.35 117.74 1wpl s TYR 45 Ca 0.06 0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 56.50 1wpl s TYR 45 Cb -0.01 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 1wpl s TYR 45 CO -0.05 0.21 0.02 -1.83 -1.11 0.00 0.00 175.55 172.79 1wpl s GLU 46 N -3.87 0.55 -0.09 -0.62 -1.05 0.76 -3.92 118.70 110.47 1wpl s GLU 46 Ca 0.40 -0.93 -0.01 0.00 -0.15 0.00 0.00 54.97 54.28 1wpl s GLU 46 Cb -0.10 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.76 1wpl s GLU 46 CO 0.33 -0.12 -0.04 0.71 0.95 0.00 0.00 175.26 177.08 1wpl s TYR 47 N -2.99 3.02 0.16 4.83 1.51 0.11 -0.79 117.35 123.20 1wpl s TYR 47 Ca -0.02 -0.01 -0.06 0.00 -1.01 0.00 0.00 57.07 55.97 1wpl s TYR 47 Cb 0.01 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 1wpl s TYR 47 CO -0.06 0.28 0.22 1.52 -1.11 0.00 0.00 175.55 176.40 1wpl s TYR 48 N -0.55 0.58 0.03 2.71 -0.85 -0.42 -0.54 117.35 118.31 1wpl s TYR 48 Ca 0.09 -0.94 -0.02 0.00 -0.52 0.00 0.00 57.07 55.67 1wpl s TYR 48 Cb -0.12 -0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.00 1wpl s TYR 48 CO 0.02 -0.68 0.02 0.14 -1.52 0.00 0.00 175.55 173.53 1wpl s VAL 49 N -4.01 0.14 -2.04 -3.49 -7.23 -0.68 -1.58 120.40 101.51 1wpl s VAL 49 Ca 0.21 -1.17 0.31 0.00 -1.81 0.00 0.00 61.98 59.52 1wpl s VAL 49 Cb 0.04 -0.77 0.79 0.00 0.56 0.00 0.00 36.38 37.01 1wpl s VAL 49 CO 0.02 -0.64 2.11 0.59 -0.31 0.00 0.00 175.10 176.86 1wpl n ASN 50 N 0.98 0.30 -4.81 4.85 3.02 -1.26 -0.86 115.26 117.48 1wpl n ASN 50 Ca -0.20 -1.02 -0.34 0.00 -0.03 0.00 0.00 54.58 53.00 1wpl n ASN 50 Cb 0.58 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.68 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 -2.06 6.57 0.80 6.41 1.01 -1.26 -3.84 116.67 124.30 1wpl s ASP 51 Ca 0.44 1.83 -0.11 0.00 0.71 0.00 0.00 52.55 55.42 1wpl s ASP 51 Cb 0.22 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.67 1wpl s ASP 51 CO 0.38 -0.62 1.09 -2.84 0.21 0.00 0.00 175.17 173.39 1wpl s PRO 52 N -3.22 2.05 0.49 8.23 0.02 -1.26 -3.51 135.00 137.78 1wpl s PRO 52 Ca 0.65 1.08 0.16 0.00 0.02 0.00 0.00 61.00 62.91 1wpl s PRO 52 Cb -0.13 -1.88 1.18 0.00 0.02 0.00 0.00 34.50 33.68 1wpl s PRO 52 CO 0.17 -1.77 2.08 -1.00 -0.33 0.00 0.00 177.00 176.15 1wpl h PRO 53 N -1.21 0.17 -0.13 5.54 0.13 -1.82 -2.82 132.00 131.85 1wpl h PRO 53 Ca -0.45 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1wpl h PRO 53 Cb 1.24 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1wpl h PRO 53 CO 0.52 0.11 0.00 -0.09 -0.23 0.00 0.00 178.00 178.32 1wpl h ARG 54 N 0.17 0.05 -0.93 0.86 2.43 -1.91 0.12 114.38 115.17 1wpl h ARG 54 Ca 0.12 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1wpl h ARG 54 Cb 0.26 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1wpl h ARG 54 CO -0.02 0.03 0.60 0.82 -1.51 0.00 0.00 179.97 179.90 1wpl h ILE 55 N 0.05 1.15 -0.00 1.20 1.08 -1.87 -1.63 117.51 117.49 1wpl h ILE 55 Ca 0.06 -0.40 -0.10 0.00 -0.39 0.00 0.00 64.86 64.03 1wpl h ILE 55 Cb 0.07 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.69 1wpl h ILE 55 CO -0.10 0.21 -0.45 0.58 -0.69 0.00 0.00 178.15 177.70 1wpl h VAL 56 N 1.17 1.33 -0.25 1.67 2.07 -1.23 -1.85 116.25 119.16 1wpl h VAL 56 Ca 0.37 -1.56 -0.17 0.00 0.82 0.00 0.00 66.70 66.16 1wpl h VAL 56 Cb 0.01 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1wpl h VAL 56 CO -0.12 0.45 -0.50 -0.07 0.02 0.00 0.00 177.57 177.34 1wpl h LEU 57 N 0.01 0.88 -0.69 2.57 3.38 0.06 -1.77 115.31 119.75 1wpl h LEU 57 Ca -0.00 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1wpl h LEU 57 Cb 0.81 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1wpl h LEU 57 CO 0.06 1.26 0.27 0.44 0.09 0.00 0.00 178.44 180.55 1wpl h ASP 58 N 0.54 0.96 -0.87 -0.43 3.32 -1.12 -1.61 116.42 117.20 1wpl h ASP 58 Ca 0.01 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1wpl h ASP 58 Cb 1.11 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1wpl h ASP 58 CO 0.11 0.88 0.48 0.11 -1.72 0.00 0.00 179.24 179.09 1wpl h LYS 59 N 0.99 1.22 0.00 3.56 1.57 -1.22 -2.05 116.57 120.63 1wpl h LYS 59 Ca 0.23 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1wpl h LYS 59 Cb 0.22 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1wpl h LYS 59 CO -0.02 0.89 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.41 1wpl h LEU 60 N 1.22 0.00 -0.24 2.94 3.38 -0.89 -2.70 115.31 119.02 1wpl h LEU 60 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 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 0.27 0.13 -0.08 0.09 0.00 0.00 178.44 178.80 1wpl h GLU 61 N 0.00 0.34 -0.39 1.13 4.57 -0.58 0.87 114.58 120.53 1wpl h GLU 61 Ca -0.00 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1wpl h GLU 61 Cb 0.72 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 1wpl h GLU 61 CO 0.04 0.32 0.26 0.00 -1.18 0.00 0.00 179.01 178.45 1wpl n ARG 63 N -4.48 2.68 -2.18 0.00 3.00 -0.86 -4.91 116.66 109.91 1wpl n ARG 63 Ca 0.04 -1.60 -0.02 0.00 -0.01 0.00 0.00 57.85 56.25 1wpl n ARG 63 Cb 0.16 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.92 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 0.62 0.39 3.68 -0.13 0.00 0.16 -5.00 105.19 104.91 1wpl n GLY 64 Ca 0.14 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.33 2.94 -0.01 1.61 0.40 0.25 -1.95 117.98 118.89 1wpl s PHE 65 Ca 0.02 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1wpl s PHE 65 Cb -0.01 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 1wpl s PHE 65 CO 0.02 0.49 -0.10 0.50 0.70 0.00 0.00 175.22 176.83 1wpl s ARG 66 N -2.58 0.89 -0.03 0.44 3.52 -0.39 -4.11 118.95 116.68 1wpl s ARG 66 Ca 0.26 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 55.20 1wpl s ARG 66 Cb -0.11 -0.85 -0.05 0.00 -1.56 0.00 0.00 34.95 32.39 1wpl s ARG 66 CO 0.19 0.20 1.41 0.08 -0.81 0.00 0.00 175.30 176.37 1wpl s VAL 67 N -0.15 3.80 -0.23 7.11 1.01 -1.26 -0.93 120.40 129.75 1wpl s VAL 67 Ca 0.02 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.15 1wpl s VAL 67 Cb -0.05 -3.72 -0.19 0.00 0.00 0.00 0.00 36.38 32.41 1wpl s VAL 67 CO -0.00 -0.03 -0.10 0.18 0.00 0.00 0.00 175.10 175.15 1wpl n LEU 68 N 5.80 2.60 -3.59 3.92 4.32 0.78 -4.94 117.00 125.90 1wpl n LEU 68 Ca 0.14 -0.06 -0.17 0.00 -0.02 0.00 0.00 56.01 55.90 1wpl n LEU 68 Cb 0.44 -0.79 -0.07 0.00 -1.62 0.00 0.00 43.42 41.39 1wpl n LEU 68 CO 0.59 0.88 0.32 -0.55 -1.22 0.00 0.00 177.39 177.40 1wpl s SER 69 N -6.49 -0.52 -0.03 -1.43 0.15 -1.08 -5.01 113.70 99.30 1wpl s SER 69 Ca -0.30 0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.90 1wpl s SER 69 Cb 0.08 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 1wpl s SER 69 CO 0.65 -0.57 -0.08 -0.32 1.20 0.00 0.00 173.24 174.12 1wpl s MET 70 N -1.27 0.89 0.16 5.44 1.75 -1.26 -0.05 119.30 124.96 1wpl s MET 70 Ca -0.12 -0.26 -0.07 0.00 -1.25 0.00 0.00 55.69 53.99 1wpl s MET 70 Cb -0.01 -0.84 -0.02 0.00 2.84 0.00 0.00 34.83 36.80 1wpl s MET 70 CO 0.08 0.09 0.22 -0.08 -0.65 0.00 0.00 175.02 174.68 1wpl s THR 71 N 0.26 0.07 -0.07 10.11 -1.32 0.31 -4.99 115.64 120.01 1wpl s THR 71 Ca -0.04 -1.55 0.02 0.00 -1.21 0.00 0.00 61.69 58.92 1wpl s THR 71 Cb -0.09 -1.92 -0.02 0.00 -1.51 0.00 0.00 72.50 68.96 1wpl s THR 71 CO 0.00 -0.33 -0.13 -0.83 -2.21 0.00 0.00 174.62 171.12 1wpl s GLY 72 N -3.00 1.54 -0.21 6.08 0.00 -1.26 -0.28 107.32 110.19 1wpl s GLY 72 Ca 0.20 -0.95 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 1wpl s GLY 72 CO 0.01 -0.60 0.07 0.54 0.00 0.00 0.00 173.10 173.13 1wpl s VAL 73 N -0.43 0.26 0.00 1.40 0.11 -0.11 -4.99 120.40 116.64 1wpl s VAL 73 Ca 0.05 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1wpl s VAL 73 Cb -0.12 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1wpl s VAL 73 CO 0.02 -0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 1wpl n GLY 74 N 5.14 1.52 1.08 6.54 0.00 -1.26 -1.72 105.19 116.49 1wpl n GLY 74 Ca -0.07 -0.48 0.08 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 12.68 3.23 -4.16 1.61 1.13 -1.26 -4.94 117.38 125.66 1wpl n GLN 75 Ca 0.00 -2.61 -0.35 0.00 -1.94 0.00 0.00 57.00 52.10 1wpl n GLN 75 Cb 0.00 -1.68 -0.09 0.00 0.11 0.00 0.00 30.24 28.58 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 -1.85 4.66 -0.18 5.09 2.01 -0.70 0.37 115.64 125.05 1wpl s THR 76 Ca 0.40 -0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.21 1wpl s THR 76 Cb 0.26 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 1wpl s THR 76 CO 0.17 0.55 0.12 -0.22 -0.69 0.00 0.00 174.62 174.55 1wpl s LEU 77 N -0.40 4.17 0.01 4.42 2.96 0.46 -0.93 118.68 129.37 1wpl s LEU 77 Ca 0.09 0.25 0.06 0.00 -0.22 0.00 0.00 54.13 54.31 1wpl s LEU 77 Cb -0.12 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1wpl s LEU 77 CO 0.02 0.23 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.40 1wpl s VAL 78 N 0.08 1.44 -0.06 1.68 1.01 0.61 -1.29 120.40 123.87 1wpl s VAL 78 Ca 0.09 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.21 1wpl s VAL 78 Cb -0.11 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 1wpl s VAL 78 CO -0.01 0.31 -0.21 0.26 0.00 0.00 0.00 175.10 175.46 1wpl s TRP 79 N -0.56 2.11 -0.31 5.22 0.51 0.40 -0.53 118.94 125.77 1wpl s TRP 79 Ca 0.06 -0.71 -0.07 0.00 -2.12 0.00 0.00 56.10 53.26 1wpl s TRP 79 Cb -0.07 -1.42 0.02 0.00 -0.81 0.00 0.00 33.47 31.19 1wpl s TRP 79 CO 0.00 -0.26 0.10 0.00 -0.51 0.00 0.00 176.95 176.28 1wpl s LEU 81 N 1.49 3.30 -0.02 0.00 1.02 -0.09 -0.16 118.68 124.22 1wpl s LEU 81 Ca 0.02 -0.33 0.05 0.00 0.02 0.00 0.00 54.13 53.88 1wpl s LEU 81 Cb -0.18 -2.00 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 1wpl s LEU 81 CO 0.03 0.13 -0.16 -2.28 0.02 0.00 0.00 176.35 174.09 1wpl s HIS 82 N -1.49 1.48 -0.68 0.29 2.46 -0.10 -0.98 115.29 116.26 1wpl s HIS 82 Ca 0.26 -0.30 -0.26 0.00 0.47 0.00 0.00 55.06 55.22 1wpl s HIS 82 Cb -0.10 -0.96 -0.01 0.00 -0.13 0.00 0.00 32.58 31.38 1wpl s HIS 82 CO 0.17 -0.04 1.68 0.21 -2.47 0.00 0.00 174.74 174.29 1wpl s LYS 83 N -0.31 2.81 0.00 2.88 2.36 0.22 -1.27 119.74 126.44 1wpl s LYS 83 Ca 0.05 0.26 0.00 0.00 -2.55 0.00 0.00 55.97 53.72 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 -0.00 -2.59 0.42 0.39 1.55 0.00 0.00 175.35 175.13