#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 0.50 -6.40 0.03 0.13 -1.97 -3.46 132.00 120.84 1wpl h PRO 2 Ca 0.00 -0.62 -0.55 0.00 -0.87 0.00 0.00 66.00 63.96 1wpl h PRO 2 Cb 0.00 0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.29 1wpl h PRO 2 CO 0.00 1.25 0.02 0.71 -0.23 0.00 0.00 178.00 179.75 1wpl s TYR 3 N -3.08 3.71 0.00 1.56 1.51 -1.26 -0.51 117.35 119.28 1wpl s TYR 3 Ca -0.07 1.29 0.02 0.00 -1.01 0.00 0.00 57.07 57.29 1wpl s TYR 3 Cb 0.07 -2.53 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 1wpl s TYR 3 CO 0.90 0.45 -0.05 -1.17 -1.11 0.00 0.00 175.55 174.57 1wpl s LEU 4 N -1.64 2.05 -0.12 -1.29 2.96 0.03 -5.01 118.68 115.66 1wpl s LEU 4 Ca 0.37 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 1wpl s LEU 4 Cb -0.18 -0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.31 1wpl s LEU 4 CO 0.20 0.02 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.38 1wpl s LEU 5 N -0.34 1.43 0.16 -0.68 1.43 -1.26 -0.84 118.68 118.58 1wpl s LEU 5 Ca -0.00 -0.37 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 1wpl s LEU 5 Cb -0.03 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 1wpl s LEU 5 CO -0.00 -0.07 -0.15 0.27 0.23 0.00 0.00 176.35 176.63 1wpl s ILE 6 N 1.47 1.59 0.19 -0.59 -4.36 -0.79 -4.41 121.20 114.30 1wpl s ILE 6 Ca 0.02 -1.96 -0.13 0.00 -0.26 0.00 0.00 60.65 58.32 1wpl s ILE 6 Cb -0.13 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.77 1wpl s ILE 6 CO -0.07 -0.47 0.41 -0.94 0.24 0.00 0.00 174.94 174.10 1wpl s SER 7 N -2.85 -0.09 -0.04 4.36 1.04 -0.15 -0.53 113.70 115.44 1wpl s SER 7 Ca 0.16 -0.76 -0.13 0.00 0.48 0.00 0.00 55.95 55.70 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 0.29 0.28 0.98 0.00 0.00 173.24 173.84 1wpl s THR 8 N -3.95 0.04 0.10 2.02 -1.32 -0.34 0.13 115.64 112.32 1wpl s THR 8 Ca 0.16 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 1wpl s THR 8 Cb 0.01 -0.54 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 1wpl s THR 8 CO 0.01 -0.19 0.25 -1.10 -2.21 0.00 0.00 174.62 171.37 1wpl s GLN 9 N -0.88 3.45 0.00 7.08 -0.21 -1.26 -0.40 119.66 127.44 1wpl s GLN 9 Ca -0.10 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.82 1wpl s GLN 9 Cb -0.05 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.96 1wpl s GLN 9 CO 0.03 0.57 0.00 -0.89 -2.12 0.00 0.00 175.29 172.88 1wpl n ILE 10 N -0.00 0.00 -5.29 1.08 5.41 0.89 -4.59 119.36 116.86 1wpl n ILE 10 Ca -0.05 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.38 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 2.30 0.11 0.38 1.81 -1.26 -4.98 118.95 117.31 1wpl s ARG 11 Ca 0.00 -0.92 0.11 0.00 -1.72 0.00 0.00 55.73 53.21 1wpl s ARG 11 Cb 0.00 -2.09 -0.15 0.00 -0.45 0.00 0.00 34.95 32.27 1wpl s ARG 11 CO 0.00 0.48 1.12 0.00 -0.68 0.00 0.00 175.30 176.22 1wpl h MET 12 N 5.74 0.00 -0.30 3.54 -0.00 -1.94 -3.35 114.93 118.63 1wpl h MET 12 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.32 1wpl h MET 12 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.74 1wpl h MET 12 CO 0.47 0.68 0.00 -0.85 -0.00 0.00 0.00 176.91 177.21 1wpl n GLU 13 N -3.19 0.55 -3.60 -0.10 0.00 -1.26 -4.11 120.64 108.93 1wpl n GLU 13 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 56.98 1wpl n GLU 13 Cb 0.91 -1.15 -0.05 0.00 0.00 0.00 0.00 31.44 31.14 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 -1.46 0.04 0.00 3.84 0.11 -1.26 -4.90 120.40 116.77 1wpl s VAL 14 Ca 0.00 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 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 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.19 1wpl n GLY 15 N 0.33 -0.48 3.83 6.54 0.00 -1.25 -4.65 105.19 109.51 1wpl n GLY 15 Ca -0.18 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.26 2.85 -0.16 1.61 0.04 -1.26 -4.98 135.00 130.84 1wpl s PRO 16 Ca 0.00 0.77 0.01 0.00 0.04 0.00 0.00 61.00 61.82 1wpl s PRO 16 Cb 0.00 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1wpl s PRO 16 CO 0.00 -1.11 -0.18 0.99 0.04 0.00 0.00 177.00 176.73 1wpl s THR 17 N -3.14 2.36 -0.02 1.26 2.01 0.03 -4.45 115.64 113.70 1wpl s THR 17 Ca 0.58 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 1wpl s THR 17 Cb -0.13 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1wpl s THR 17 CO 0.54 0.53 0.96 -0.04 -0.69 0.00 0.00 174.62 175.92 1wpl s MET 18 N 0.92 4.53 0.00 4.92 -1.94 0.12 -1.77 119.30 126.09 1wpl s MET 18 Ca -0.04 1.38 0.00 0.00 -1.71 0.00 0.00 55.69 55.32 1wpl s MET 18 Cb -0.15 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.22 1wpl s MET 18 CO -0.03 -0.08 0.79 1.33 -0.01 0.00 0.00 175.02 177.02 1wpl n VAL 19 N 3.97 0.62 0.00 -6.03 0.24 0.50 -0.97 118.33 116.66 1wpl n VAL 19 Ca 0.06 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1wpl n VAL 19 Cb 0.51 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.31 1.17 1.04 7.63 0.00 -1.14 -4.87 105.19 108.71 1wpl n GLY 20 Ca 0.00 -0.63 -0.06 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 0.88 -0.34 1.61 5.75 -1.26 0.01 116.55 123.20 1wpl n ASP 21 Ca 0.00 -1.45 0.04 0.00 -0.01 0.00 0.00 54.79 53.37 1wpl n ASP 21 Cb 0.00 -0.08 0.22 0.00 -1.03 0.00 0.00 41.12 40.23 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 1.05 -0.93 0.11 5.08 -1.95 -2.33 114.58 115.61 1wpl h GLU 22 Ca -0.08 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 57.96 1wpl h GLU 22 Cb 0.34 -0.24 -0.15 0.00 0.50 0.00 0.00 28.75 29.20 1wpl h GLU 22 CO 0.12 0.69 0.32 0.72 -1.00 0.00 0.00 179.01 179.87 1wpl n HIS 23 N -4.51 1.87 -2.26 4.33 8.25 -1.26 -4.95 115.22 116.69 1wpl n HIS 23 Ca 0.15 -1.16 -0.32 0.00 -0.26 0.00 0.00 57.72 56.14 1wpl n HIS 23 Cb 0.22 -0.63 -0.02 0.00 1.12 0.00 0.00 29.99 30.69 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 -0.52 6.40 -0.29 0.41 0.01 -0.88 -4.94 113.70 113.90 1wpl s SER 24 Ca 0.37 1.60 -0.28 0.00 1.31 0.00 0.00 55.95 58.95 1wpl s SER 24 Cb 0.31 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.97 1wpl s SER 24 CO 0.08 -0.74 2.27 -0.67 0.41 0.00 0.00 173.24 174.59 1wpl n ASP 25 N -1.82 2.93 -0.35 2.44 -0.08 -1.26 -4.84 116.55 113.57 1wpl n ASP 25 Ca 0.07 0.08 0.11 0.00 -1.51 0.00 0.00 54.79 53.54 1wpl n ASP 25 Cb 0.54 -1.53 0.30 0.00 2.34 0.00 0.00 41.12 42.77 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 15.66 0.82 -0.30 -0.67 0.11 -1.95 -0.11 132.00 145.56 1wpl h PRO 26 Ca -0.36 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 1wpl h PRO 26 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1wpl h PRO 26 CO 1.01 0.54 -0.04 1.49 -0.21 0.00 0.00 178.00 180.79 1wpl h GLU 27 N 0.84 0.55 -0.71 1.05 4.81 -1.99 -0.89 114.58 118.24 1wpl h GLU 27 Ca 0.53 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1wpl h GLU 27 Cb 0.72 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1wpl h GLU 27 CO -0.31 0.73 0.26 1.25 -0.73 0.00 0.00 179.01 180.21 1wpl h LEU 28 N 0.33 1.01 -0.74 1.64 5.85 -1.73 0.57 115.31 122.24 1wpl h LEU 28 Ca 0.08 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1wpl h LEU 28 Cb 0.51 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1wpl h LEU 28 CO 0.02 0.92 0.43 0.24 -0.34 0.00 0.00 178.44 179.71 1wpl h MET 29 N 1.03 1.02 -0.56 1.25 2.86 -0.89 -1.65 114.93 117.99 1wpl h MET 29 Ca 0.23 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 1wpl h MET 29 Cb 0.25 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1wpl h MET 29 CO -0.01 0.74 0.03 0.37 1.06 0.00 0.00 176.91 179.10 1wpl h GLN 30 N 1.02 0.96 -0.46 1.72 4.15 -0.66 -1.52 115.11 120.32 1wpl h GLN 30 Ca 0.26 -0.29 0.02 0.00 0.77 0.00 0.00 58.65 59.41 1wpl h GLN 30 Cb -0.00 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1wpl h GLN 30 CO -0.05 0.95 0.30 1.96 -1.93 0.00 0.00 178.83 180.07 1wpl h GLN 31 N 0.85 0.54 0.00 1.69 4.20 -0.40 -0.53 115.11 121.45 1wpl h GLN 31 Ca 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wpl h GLN 31 Cb 0.50 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wpl h GLN 31 CO 0.02 0.36 -0.01 1.28 -0.67 0.00 0.00 178.83 179.81 1wpl n LEU 32 N -4.47 0.76 0.00 1.46 4.77 -0.67 -4.91 117.00 113.93 1wpl n LEU 32 Ca 0.04 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1wpl n LEU 32 Cb 0.11 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1wpl n LEU 32 CO 0.35 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1wpl n GLY 33 N 1.32 0.42 3.83 -0.72 0.00 -0.21 -4.99 105.19 104.84 1wpl n GLY 33 Ca 0.06 -0.93 -0.34 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 3.24 0.23 4.61 0.00 -0.62 -4.83 121.76 122.38 1wpl s ALA 34 Ca 0.00 0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.27 1wpl s ALA 34 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1wpl s ALA 34 CO 0.00 0.26 0.01 -1.12 0.00 0.00 0.00 175.76 174.90 1wpl s SER 35 N -2.07 4.67 -0.13 0.00 0.01 -0.48 -4.69 113.70 111.01 1wpl s SER 35 Ca 0.54 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 57.23 1wpl s SER 35 Cb -0.12 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 1wpl s SER 35 CO 0.17 0.04 0.05 -0.75 0.41 0.00 0.00 173.24 173.16 1wpl s LYS 36 N -3.37 3.45 0.20 12.44 2.20 -1.26 -1.18 119.74 132.23 1wpl s LYS 36 Ca 0.30 -0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 55.43 1wpl s LYS 36 Cb -0.08 -3.02 0.01 0.00 -1.51 0.00 0.00 37.83 33.23 1wpl s LYS 36 CO 0.19 0.55 0.44 -0.98 -0.36 0.00 0.00 175.35 175.19 1wpl s ARG 37 N -0.42 1.37 -0.35 4.03 1.70 0.15 -4.97 118.95 120.46 1wpl s ARG 37 Ca 0.09 -1.08 -0.00 0.00 -0.47 0.00 0.00 55.73 54.27 1wpl s ARG 37 Cb -0.12 0.46 0.11 0.00 -0.57 0.00 0.00 34.95 34.84 1wpl s ARG 37 CO 0.02 -0.56 0.15 0.50 -1.08 0.00 0.00 175.30 174.33 1wpl s ARG 38 N -3.95 0.84 0.31 3.89 3.52 -1.26 -0.47 118.95 121.82 1wpl s ARG 38 Ca 0.16 -1.33 -0.29 0.00 -0.13 0.00 0.00 55.73 54.13 1wpl s ARG 38 Cb 0.00 -1.99 -0.10 0.00 -1.56 0.00 0.00 34.95 31.30 1wpl s ARG 38 CO 0.02 -1.06 1.35 0.08 -0.81 0.00 0.00 175.30 174.89 1wpl s VAL 39 N 1.24 2.67 0.08 7.11 1.01 -1.26 -4.91 120.40 126.34 1wpl s VAL 39 Ca 0.13 0.64 -0.35 0.00 0.00 0.00 0.00 61.98 62.40 1wpl s VAL 39 Cb -0.20 -3.41 -0.14 0.00 0.00 0.00 0.00 36.38 32.63 1wpl s VAL 39 CO -0.16 0.14 1.60 -0.11 0.00 0.00 0.00 175.10 176.57 1wpl n LEU 40 N 1.24 2.87 0.00 3.92 0.00 -1.26 -1.27 117.00 122.50 1wpl n LEU 40 Ca 0.02 1.07 0.00 0.00 0.00 0.00 0.00 56.01 57.10 1wpl n LEU 40 Cb 0.41 -1.36 0.00 0.00 0.00 0.00 0.00 43.42 42.47 1wpl n LEU 40 CO 0.60 -0.38 0.00 0.61 0.00 0.00 0.00 177.39 178.21 1wpl n GLY 41 N 3.48 2.02 3.82 -3.96 0.00 -1.26 -5.06 105.19 104.24 1wpl n GLY 41 Ca 0.19 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 0.22 6.86 -0.85 1.61 0.01 -0.40 -4.99 114.94 117.40 1wpl s ASN 42 Ca 0.00 1.02 -0.00 0.00 -0.71 0.00 0.00 52.86 53.17 1wpl s ASN 42 Cb 0.00 -2.28 0.34 0.00 0.41 0.00 0.00 41.25 39.72 1wpl s ASN 42 CO 0.00 0.29 1.76 0.59 -1.51 0.00 0.00 177.10 178.23 1wpl n ASN 43 N 1.95 6.92 -3.57 -1.22 5.03 -1.26 -4.75 115.26 118.35 1wpl n ASN 43 Ca -0.13 -3.76 -0.06 0.00 0.87 0.00 0.00 54.58 51.51 1wpl n ASN 43 Cb 0.52 -1.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.26 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 -4.07 -0.19 0.27 3.10 -0.12 -1.26 -5.17 117.98 110.54 1wpl s PHE 44 Ca 0.46 0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.48 1wpl s PHE 44 Cb 0.33 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 43.20 1wpl s PHE 44 CO -0.26 -0.29 0.45 0.71 -0.05 0.00 0.00 175.22 175.77 1wpl s TYR 45 N -2.57 3.48 0.05 3.49 1.51 -1.26 -4.54 117.35 117.51 1wpl s TYR 45 Ca 0.08 0.27 -0.03 0.00 -1.01 0.00 0.00 57.07 56.38 1wpl s TYR 45 Cb -0.01 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1wpl s TYR 45 CO -0.06 0.29 0.03 -1.83 -1.11 0.00 0.00 175.55 172.88 1wpl s GLU 46 N -3.86 0.59 -0.11 -0.62 -1.05 0.38 -3.92 118.70 110.11 1wpl s GLU 46 Ca 0.38 -0.97 -0.01 0.00 -0.15 0.00 0.00 54.97 54.22 1wpl s GLU 46 Cb -0.10 0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.78 1wpl s GLU 46 CO 0.32 -0.13 -0.07 0.71 0.95 0.00 0.00 175.26 177.03 1wpl s TYR 47 N -3.22 2.94 0.14 4.83 1.51 0.10 -0.68 117.35 122.98 1wpl s TYR 47 Ca 0.00 -0.22 -0.05 0.00 -1.01 0.00 0.00 57.07 55.80 1wpl s TYR 47 Cb 0.03 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1wpl s TYR 47 CO -0.07 0.10 0.16 1.52 -1.11 0.00 0.00 175.55 176.14 1wpl s TYR 48 N -0.18 0.65 0.03 2.71 -0.85 -0.32 -0.37 117.35 119.02 1wpl s TYR 48 Ca 0.02 -1.02 -0.01 0.00 -0.52 0.00 0.00 57.07 55.54 1wpl s TYR 48 Cb -0.13 -0.29 -0.03 0.00 0.38 0.00 0.00 41.96 41.89 1wpl s TYR 48 CO 0.03 -0.60 -0.02 0.14 -1.52 0.00 0.00 175.55 173.57 1wpl s VAL 49 N -4.01 0.16 -2.15 -3.49 -7.23 -0.73 -1.38 120.40 101.57 1wpl s VAL 49 Ca 0.21 -1.28 0.26 0.00 -1.81 0.00 0.00 61.98 59.36 1wpl s VAL 49 Cb 0.06 -0.80 0.67 0.00 0.56 0.00 0.00 36.38 36.87 1wpl s VAL 49 CO 0.01 -0.71 1.90 0.59 -0.31 0.00 0.00 175.10 176.58 1wpl n ASN 50 N 0.96 0.57 -4.83 4.85 3.02 -1.26 -0.79 115.26 117.78 1wpl n ASN 50 Ca -0.20 -1.31 -0.33 0.00 -0.03 0.00 0.00 54.58 52.71 1wpl n ASN 50 Cb 0.58 -0.01 -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 -1.84 6.73 0.77 6.41 1.01 -1.26 -3.88 116.67 124.61 1wpl s ASP 51 Ca 0.39 1.66 -0.11 0.00 0.71 0.00 0.00 52.55 55.20 1wpl s ASP 51 Cb 0.19 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.64 1wpl s ASP 51 CO 0.31 -0.51 1.08 -2.84 0.21 0.00 0.00 175.17 173.42 1wpl s PRO 52 N -3.58 2.32 0.44 8.23 0.02 -1.26 -3.50 135.00 137.66 1wpl s PRO 52 Ca 0.61 1.05 0.12 0.00 0.02 0.00 0.00 61.00 62.81 1wpl s PRO 52 Cb -0.10 -1.91 1.01 0.00 0.02 0.00 0.00 34.50 33.51 1wpl s PRO 52 CO 0.22 -1.56 2.02 -1.00 -0.33 0.00 0.00 177.00 176.34 1wpl h PRO 53 N -1.06 0.40 -0.37 5.54 0.13 -1.83 -2.62 132.00 132.18 1wpl h PRO 53 Ca -0.44 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1wpl h PRO 53 Cb 1.23 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1wpl h PRO 53 CO 0.53 0.26 0.16 -0.09 -0.23 0.00 0.00 178.00 178.64 1wpl h ARG 54 N 0.41 0.33 -0.79 0.86 2.43 -1.91 0.13 114.38 115.83 1wpl h ARG 54 Ca 0.21 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1wpl h ARG 54 Cb 0.33 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 1wpl h ARG 54 CO -0.05 0.22 0.47 0.82 -1.51 0.00 0.00 179.97 179.91 1wpl h ILE 55 N 0.34 1.22 0.00 1.20 1.08 -1.84 -1.90 117.51 117.61 1wpl h ILE 55 Ca 0.16 -0.50 -0.11 0.00 -0.39 0.00 0.00 64.86 64.02 1wpl h ILE 55 Cb 0.10 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.95 1wpl h ILE 55 CO -0.14 0.24 -0.52 0.58 -0.69 0.00 0.00 178.15 177.62 1wpl h VAL 56 N 1.09 1.32 -0.28 1.67 2.07 -1.07 -2.03 116.25 119.02 1wpl h VAL 56 Ca 0.28 -1.82 -0.15 0.00 0.82 0.00 0.00 66.70 65.83 1wpl h VAL 56 Cb -0.03 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1wpl h VAL 56 CO -0.05 0.51 -0.41 -0.07 0.02 0.00 0.00 177.57 177.57 1wpl h LEU 57 N 0.00 0.85 -0.70 2.57 3.38 -0.12 -1.63 115.31 119.65 1wpl h LEU 57 Ca -0.01 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 1wpl h LEU 57 Cb 0.95 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1wpl h LEU 57 CO 0.07 1.19 0.21 0.44 0.09 0.00 0.00 178.44 180.44 1wpl h ASP 58 N 0.53 1.03 -0.73 -0.43 3.32 -1.23 -1.55 116.42 117.36 1wpl h ASP 58 Ca 0.03 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1wpl h ASP 58 Cb 1.00 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1wpl h ASP 58 CO 0.09 0.98 0.27 0.11 -1.72 0.00 0.00 179.24 178.97 1wpl h LYS 59 N 1.04 1.12 0.00 3.56 1.57 -1.27 -2.21 116.57 120.38 1wpl h LYS 59 Ca 0.23 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1wpl h LYS 59 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1wpl h LYS 59 CO -0.00 0.92 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.50 1wpl h LEU 60 N 1.09 0.00 -0.13 2.94 3.38 -0.91 -2.71 115.31 118.97 1wpl h LEU 60 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1wpl h LEU 60 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1wpl h LEU 60 CO -0.02 0.23 0.06 -0.08 0.09 0.00 0.00 178.44 178.72 1wpl h GLU 61 N 0.00 0.18 -0.34 1.13 4.57 -0.66 0.13 114.58 119.59 1wpl h GLU 61 Ca -0.00 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1wpl h GLU 61 Cb 0.67 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1wpl h GLU 61 CO 0.03 0.23 0.23 0.00 -1.18 0.00 0.00 179.01 178.32 1wpl n ARG 63 N -4.48 3.52 -2.47 0.00 3.00 -0.91 -4.91 116.66 110.41 1wpl n ARG 63 Ca 0.04 -2.04 -0.07 0.00 -0.01 0.00 0.00 57.85 55.77 1wpl n ARG 63 Cb 0.24 -2.00 0.01 0.00 0.00 0.00 0.00 32.46 30.71 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 0.39 0.32 3.63 -0.13 0.00 0.36 -5.00 105.19 104.76 1wpl n GLY 64 Ca 0.18 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.70 2.85 -0.00 1.61 0.40 0.41 -2.01 117.98 118.53 1wpl s PHE 65 Ca 0.09 -0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1wpl s PHE 65 Cb -0.04 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 1wpl s PHE 65 CO 0.11 0.45 -0.11 0.50 0.70 0.00 0.00 175.22 176.87 1wpl s ARG 66 N -2.29 0.88 -0.13 0.44 3.52 -0.18 -4.13 118.95 117.06 1wpl s ARG 66 Ca 0.24 -0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 55.09 1wpl s ARG 66 Cb -0.11 -0.85 -0.02 0.00 -1.56 0.00 0.00 34.95 32.40 1wpl s ARG 66 CO 0.16 0.23 1.34 0.08 -0.81 0.00 0.00 175.30 176.30 1wpl s VAL 67 N -0.38 4.12 -0.19 7.11 1.01 -1.26 -0.76 120.40 130.06 1wpl s VAL 67 Ca 0.03 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.35 1wpl s VAL 67 Cb -0.05 -3.88 -0.22 0.00 0.00 0.00 0.00 36.38 32.23 1wpl s VAL 67 CO -0.00 -0.11 0.08 0.18 0.00 0.00 0.00 175.10 175.25 1wpl n LEU 68 N 6.56 2.75 -3.62 3.92 4.32 0.64 -4.95 117.00 126.63 1wpl n LEU 68 Ca 0.14 0.06 -0.16 0.00 -0.02 0.00 0.00 56.01 56.04 1wpl n LEU 68 Cb 0.44 -1.02 -0.07 0.00 -1.62 0.00 0.00 43.42 41.16 1wpl n LEU 68 CO 0.57 0.87 0.27 -0.55 -1.22 0.00 0.00 177.39 177.33 1wpl s SER 69 N -6.82 -0.47 -0.02 -1.43 0.15 -1.04 -5.01 113.70 99.06 1wpl s SER 69 Ca -0.29 0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.86 1wpl s SER 69 Cb 0.08 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1wpl s SER 69 CO 0.68 -0.54 -0.09 -0.32 1.20 0.00 0.00 173.24 174.18 1wpl s MET 70 N -1.23 0.90 0.16 5.44 1.75 -1.26 0.06 119.30 125.12 1wpl s MET 70 Ca -0.12 -0.30 -0.09 0.00 -1.25 0.00 0.00 55.69 53.93 1wpl s MET 70 Cb -0.02 -0.85 -0.01 0.00 2.84 0.00 0.00 34.83 36.79 1wpl s MET 70 CO 0.08 0.13 0.27 -0.08 -0.65 0.00 0.00 175.02 174.76 1wpl s THR 71 N 0.12 0.07 -0.07 10.11 -1.32 0.10 -4.99 115.64 119.66 1wpl s THR 71 Ca -0.02 -1.40 0.02 0.00 -1.21 0.00 0.00 61.69 59.08 1wpl s THR 71 Cb -0.08 -1.82 -0.02 0.00 -1.51 0.00 0.00 72.50 69.07 1wpl s THR 71 CO 0.00 -0.33 -0.12 -0.83 -2.21 0.00 0.00 174.62 171.13 1wpl s GLY 72 N -2.96 1.58 -0.22 6.08 0.00 -1.26 -0.18 107.32 110.35 1wpl s GLY 72 Ca 0.17 -0.94 -0.04 0.00 0.00 0.00 0.00 44.72 43.91 1wpl s GLY 72 CO -0.01 -0.62 0.08 0.54 0.00 0.00 0.00 173.10 173.10 1wpl s VAL 73 N -0.52 0.23 0.00 1.40 0.11 0.16 -4.99 120.40 116.80 1wpl s VAL 73 Ca 0.07 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 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 -0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.01 1wpl n GLY 74 N 5.15 1.72 1.02 6.54 0.00 -1.26 -1.82 105.19 116.53 1wpl n GLY 74 Ca -0.07 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 3.05 -4.02 1.61 1.13 -1.26 -4.94 117.38 125.62 1wpl n GLN 75 Ca 0.00 -2.47 -0.35 0.00 -1.94 0.00 0.00 57.00 52.24 1wpl n GLN 75 Cb 0.00 -1.55 -0.09 0.00 0.11 0.00 0.00 30.24 28.72 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 -1.46 4.91 -0.19 5.09 2.01 -0.76 -0.08 115.64 125.17 1wpl s THR 76 Ca 0.37 -0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.27 1wpl s THR 76 Cb 0.22 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 1wpl s THR 76 CO 0.20 0.52 0.15 -0.22 -0.69 0.00 0.00 174.62 174.58 1wpl s LEU 77 N -0.18 4.23 0.01 4.42 2.96 0.47 -0.67 118.68 129.92 1wpl s LEU 77 Ca 0.08 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 1wpl s LEU 77 Cb -0.12 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1wpl s LEU 77 CO 0.01 0.19 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.35 1wpl s VAL 78 N 0.25 1.54 -0.07 1.68 1.01 0.75 -1.20 120.40 124.36 1wpl s VAL 78 Ca 0.09 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.17 1wpl s VAL 78 Cb -0.11 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1wpl s VAL 78 CO -0.01 0.33 -0.22 0.26 0.00 0.00 0.00 175.10 175.46 1wpl s TRP 79 N -0.59 2.23 -0.32 5.22 0.51 0.31 -0.72 118.94 125.58 1wpl s TRP 79 Ca 0.07 -0.77 -0.07 0.00 -2.12 0.00 0.00 56.10 53.21 1wpl s TRP 79 Cb -0.08 -1.49 0.02 0.00 -0.81 0.00 0.00 33.47 31.12 1wpl s TRP 79 CO 0.00 -0.28 0.10 0.00 -0.51 0.00 0.00 176.95 176.26 1wpl s LEU 81 N 1.46 3.25 0.00 0.00 1.02 -0.02 -0.26 118.68 124.13 1wpl s LEU 81 Ca 0.01 -0.25 0.06 0.00 0.02 0.00 0.00 54.13 53.97 1wpl s LEU 81 Cb -0.18 -1.99 -0.02 0.00 0.02 0.00 0.00 46.19 44.02 1wpl s LEU 81 CO 0.03 0.20 -0.20 -2.28 0.02 0.00 0.00 176.35 174.12 1wpl s HIS 82 N -1.22 1.74 -0.73 0.29 2.46 0.06 -0.79 115.29 117.10 1wpl s HIS 82 Ca 0.22 -0.34 -0.26 0.00 0.47 0.00 0.00 55.06 55.15 1wpl s HIS 82 Cb -0.11 -1.10 0.00 0.00 -0.13 0.00 0.00 32.58 31.24 1wpl s HIS 82 CO 0.15 0.00 1.61 0.21 -2.47 0.00 0.00 174.74 174.24 1wpl s LYS 83 N -0.65 2.93 0.00 2.88 2.36 0.33 -1.01 119.74 126.58 1wpl s LYS 83 Ca 0.07 0.01 0.00 0.00 -2.55 0.00 0.00 55.97 53.51 1wpl s LYS 83 Cb -0.08 -4.48 0.00 0.00 -1.05 0.00 0.00 37.83 32.22 1wpl s LYS 83 CO -0.00 -2.53 0.49 0.39 1.55 0.00 0.00 175.35 175.24