#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 0.76 -6.46 0.03 0.13 -1.96 -3.46 132.00 121.03 1wpl h PRO 2 Ca 0.00 -0.66 -0.54 0.00 -0.87 0.00 0.00 66.00 63.94 1wpl h PRO 2 Cb 0.00 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.24 1wpl h PRO 2 CO 0.00 1.26 0.07 0.71 -0.23 0.00 0.00 178.00 179.80 1wpl s TYR 3 N -3.65 3.73 0.00 1.56 1.51 -1.26 -0.58 117.35 118.66 1wpl s TYR 3 Ca -0.10 1.37 0.01 0.00 -1.01 0.00 0.00 57.07 57.34 1wpl s TYR 3 Cb 0.08 -2.59 -0.01 0.00 -0.11 0.00 0.00 41.96 39.34 1wpl s TYR 3 CO 0.91 0.43 -0.03 -1.17 -1.11 0.00 0.00 175.55 174.58 1wpl s LEU 4 N -1.64 2.05 -0.12 -1.29 2.96 -0.06 -5.01 118.68 115.57 1wpl s LEU 4 Ca 0.38 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1wpl s LEU 4 Cb -0.18 -0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.40 1wpl s LEU 4 CO 0.21 -0.02 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.36 1wpl s LEU 5 N -0.33 1.43 0.14 -0.68 1.43 -1.26 -0.75 118.68 118.65 1wpl s LEU 5 Ca -0.01 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1wpl s LEU 5 Cb -0.03 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1wpl s LEU 5 CO -0.00 -0.07 -0.16 0.27 0.23 0.00 0.00 176.35 176.62 1wpl s ILE 6 N 1.45 1.53 0.21 -0.59 -4.36 -0.79 -4.38 121.20 114.26 1wpl s ILE 6 Ca 0.01 -1.79 -0.10 0.00 -0.26 0.00 0.00 60.65 58.51 1wpl s ILE 6 Cb -0.13 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.92 1wpl s ILE 6 CO -0.07 -0.37 0.37 -0.94 0.24 0.00 0.00 174.94 174.18 1wpl s SER 7 N -2.52 -0.03 -0.07 4.36 1.04 -0.21 -0.35 113.70 115.93 1wpl s SER 7 Ca 0.11 -0.93 -0.16 0.00 0.48 0.00 0.00 55.95 55.46 1wpl s SER 7 Cb -0.05 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1wpl s SER 7 CO 0.04 -1.01 0.38 0.28 0.98 0.00 0.00 173.24 173.91 1wpl s THR 8 N -4.01 0.03 0.14 2.02 -1.32 -0.41 0.22 115.64 112.32 1wpl s THR 8 Ca 0.21 -0.24 0.02 0.00 -1.21 0.00 0.00 61.69 60.47 1wpl s THR 8 Cb 0.02 -0.62 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 1wpl s THR 8 CO 0.05 -0.13 0.28 -1.10 -2.21 0.00 0.00 174.62 171.51 1wpl s GLN 9 N -0.70 3.44 0.00 7.08 -0.21 -1.26 -0.34 119.66 127.67 1wpl s GLN 9 Ca -0.08 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 54.74 1wpl s GLN 9 Cb -0.04 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 31.00 1wpl s GLN 9 CO 0.03 0.53 0.00 -0.89 -2.12 0.00 0.00 175.29 172.84 1wpl n ILE 10 N -0.45 0.00 -5.18 1.08 5.41 0.13 -4.56 119.36 115.78 1wpl n ILE 10 Ca -0.07 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.38 1wpl n ILE 10 Cb 0.54 0.00 -0.17 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 2.52 0.24 0.38 1.81 -1.26 -4.98 118.95 117.65 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 -2.09 0.02 0.00 -0.45 0.00 0.00 34.95 32.43 1wpl s ARG 11 CO 0.00 0.32 1.33 0.00 -0.68 0.00 0.00 175.30 176.27 1wpl h MET 12 N 6.22 0.00 -0.46 3.54 -0.00 -1.94 -3.34 114.93 118.96 1wpl h MET 12 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.40 1wpl h MET 12 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 1wpl h MET 12 CO 0.47 0.47 0.00 -0.85 -0.00 0.00 0.00 176.91 177.01 1wpl n GLU 13 N -3.16 0.71 -3.58 -0.10 0.00 -1.26 -4.12 120.64 109.12 1wpl n GLU 13 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.02 1wpl n GLU 13 Cb 0.76 -1.23 -0.06 0.00 0.00 0.00 0.00 31.44 30.91 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 -1.35 0.03 0.00 3.84 0.11 -1.25 -4.91 120.40 116.86 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 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 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 0.57 -0.38 3.83 6.54 0.00 -1.25 -4.67 105.19 109.82 1wpl n GLY 15 Ca -0.19 -1.75 -0.31 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 -1.59 3.07 -0.18 1.61 0.04 -1.26 -4.98 135.00 131.71 1wpl s PRO 16 Ca 0.00 0.93 -0.00 0.00 0.04 0.00 0.00 61.00 61.97 1wpl s PRO 16 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1wpl s PRO 16 CO 0.00 -0.99 -0.15 0.99 0.04 0.00 0.00 177.00 176.89 1wpl s THR 17 N -3.05 2.57 -0.06 1.26 2.01 0.43 -4.46 115.64 114.34 1wpl s THR 17 Ca 0.58 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 1wpl s THR 17 Cb -0.14 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1wpl s THR 17 CO 0.54 0.51 1.04 -0.04 -0.69 0.00 0.00 174.62 175.98 1wpl s MET 18 N 1.11 4.45 -0.02 4.92 -1.94 0.13 -1.71 119.30 126.25 1wpl s MET 18 Ca 0.00 1.47 0.02 0.00 -1.71 0.00 0.00 55.69 55.47 1wpl s MET 18 Cb -0.14 -3.51 0.03 0.00 2.01 0.00 0.00 34.83 33.22 1wpl s MET 18 CO -0.05 -0.26 0.97 1.33 -0.01 0.00 0.00 175.02 177.00 1wpl n VAL 19 N 4.34 0.99 0.00 -6.03 0.24 0.11 -1.04 118.33 116.94 1wpl n VAL 19 Ca 0.08 -1.04 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 1wpl n VAL 19 Cb 0.49 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 1.68 1.28 7.63 0.00 -1.14 -4.87 105.19 109.22 1wpl n GLY 20 Ca 0.02 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.29 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 0.98 -0.35 1.61 5.75 -1.26 0.21 116.55 123.49 1wpl n ASP 21 Ca 0.00 -1.55 0.05 0.00 -0.01 0.00 0.00 54.79 53.28 1wpl n ASP 21 Cb 0.00 -0.10 0.20 0.00 -1.03 0.00 0.00 41.12 40.19 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 1.00 -0.93 0.11 5.08 -1.96 -2.34 114.58 115.55 1wpl h GLU 22 Ca -0.10 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 57.97 1wpl h GLU 22 Cb 0.41 -0.22 -0.14 0.00 0.50 0.00 0.00 28.75 29.30 1wpl h GLU 22 CO 0.15 0.66 0.30 0.72 -1.00 0.00 0.00 179.01 179.83 1wpl n HIS 23 N -4.60 1.75 -2.28 4.33 8.25 -1.26 -4.95 115.22 116.46 1wpl n HIS 23 Ca 0.17 -1.09 -0.32 0.00 -0.26 0.00 0.00 57.72 56.21 1wpl n HIS 23 Cb 0.28 -0.60 -0.02 0.00 1.12 0.00 0.00 29.99 30.77 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 -0.45 6.45 -0.32 0.41 0.01 -0.88 -4.93 113.70 113.99 1wpl s SER 24 Ca 0.35 1.59 -0.28 0.00 1.31 0.00 0.00 55.95 58.92 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 0.08 -0.71 2.29 -0.67 0.41 0.00 0.00 173.24 174.64 1wpl n ASP 25 N -1.79 2.86 -0.25 2.44 -0.08 -1.26 -4.84 116.55 113.62 1wpl n ASP 25 Ca 0.07 0.01 0.13 0.00 -1.51 0.00 0.00 54.79 53.49 1wpl n ASP 25 Cb 0.54 -1.53 0.40 0.00 2.34 0.00 0.00 41.12 42.86 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 16.14 0.62 -0.21 -0.67 0.11 -1.95 -0.10 132.00 145.95 1wpl h PRO 26 Ca -0.35 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 1wpl h PRO 26 Cb 1.26 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1wpl h PRO 26 CO 1.03 0.41 -0.09 1.49 -0.21 0.00 0.00 178.00 180.63 1wpl h GLU 27 N 0.64 0.42 -0.69 1.05 4.81 -1.99 -1.48 114.58 117.35 1wpl h GLU 27 Ca 0.44 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1wpl h GLU 27 Cb 0.75 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 1wpl h GLU 27 CO -0.19 0.71 0.36 1.25 -0.73 0.00 0.00 179.01 180.41 1wpl h LEU 28 N 0.13 0.88 -0.90 1.64 5.85 -1.73 0.73 115.31 121.91 1wpl h LEU 28 Ca 0.05 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1wpl h LEU 28 Cb 0.58 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1wpl h LEU 28 CO 0.03 0.74 0.56 0.24 -0.34 0.00 0.00 178.44 179.67 1wpl h MET 29 N 0.95 1.22 -0.43 1.25 2.86 -0.97 -1.54 114.93 118.26 1wpl h MET 29 Ca 0.24 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1wpl h MET 29 Cb 0.07 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1wpl h MET 29 CO -0.04 0.84 -0.17 0.37 1.06 0.00 0.00 176.91 178.97 1wpl h GLN 30 N 1.24 0.88 -0.52 1.72 4.15 -0.64 -1.18 115.11 120.76 1wpl h GLN 30 Ca 0.33 -0.37 0.04 0.00 0.77 0.00 0.00 58.65 59.42 1wpl h GLN 30 Cb -0.08 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 1wpl h GLN 30 CO -0.06 1.01 0.35 1.96 -1.93 0.00 0.00 178.83 180.16 1wpl h GLN 31 N 0.71 0.55 0.00 1.69 4.20 -0.28 0.29 115.11 122.26 1wpl h GLN 31 Ca 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1wpl h GLN 31 Cb 0.73 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1wpl h GLN 31 CO 0.06 0.36 -0.01 1.28 -0.67 0.00 0.00 178.83 179.85 1wpl n LEU 32 N -4.47 0.56 -0.22 1.46 4.77 -0.64 -4.91 117.00 113.55 1wpl n LEU 32 Ca 0.06 0.55 -0.02 0.00 -0.03 0.00 0.00 56.01 56.57 1wpl n LEU 32 Cb 0.17 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1wpl n LEU 32 CO 0.35 -0.12 -0.02 0.61 -1.33 0.00 0.00 177.39 176.87 1wpl n GLY 33 N 1.37 0.33 3.82 -0.72 0.00 0.09 -4.98 105.19 105.10 1wpl n GLY 33 Ca 0.06 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 3.37 0.24 4.61 0.00 -0.49 -4.84 121.76 122.56 1wpl s ALA 34 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.18 1wpl s ALA 34 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1wpl s ALA 34 CO 0.00 0.32 0.12 -1.12 0.00 0.00 0.00 175.76 175.08 1wpl s SER 35 N -1.83 5.20 -0.12 0.00 0.01 -0.53 -4.68 113.70 111.75 1wpl s SER 35 Ca 0.47 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 57.33 1wpl s SER 35 Cb -0.15 -1.23 -0.03 0.00 0.21 0.00 0.00 66.02 64.82 1wpl s SER 35 CO 0.20 -0.01 0.02 -0.75 0.41 0.00 0.00 173.24 173.12 1wpl s LYS 36 N -3.64 3.35 0.23 12.44 2.20 -1.26 -1.15 119.74 131.91 1wpl s LYS 36 Ca 0.32 -0.38 -0.13 0.00 -0.36 0.00 0.00 55.97 55.42 1wpl s LYS 36 Cb -0.08 -2.95 -0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1wpl s LYS 36 CO 0.23 0.55 0.47 -0.98 -0.36 0.00 0.00 175.35 175.26 1wpl s ARG 37 N -0.44 1.50 -0.34 4.03 1.70 -0.03 -4.96 118.95 120.40 1wpl s ARG 37 Ca 0.09 -1.19 -0.01 0.00 -0.47 0.00 0.00 55.73 54.15 1wpl s ARG 37 Cb -0.12 0.47 0.11 0.00 -0.57 0.00 0.00 34.95 34.85 1wpl s ARG 37 CO 0.02 -0.62 0.15 0.50 -1.08 0.00 0.00 175.30 174.27 1wpl s ARG 38 N -3.99 0.73 0.29 3.89 3.52 -1.26 -0.31 118.95 121.82 1wpl s ARG 38 Ca 0.20 -1.24 -0.29 0.00 -0.13 0.00 0.00 55.73 54.27 1wpl s ARG 38 Cb -0.00 -1.81 -0.10 0.00 -1.56 0.00 0.00 34.95 31.47 1wpl s ARG 38 CO 0.07 -1.07 1.37 0.08 -0.81 0.00 0.00 175.30 174.93 1wpl s VAL 39 N 1.32 2.68 0.01 7.11 1.01 -1.26 -4.90 120.40 126.36 1wpl s VAL 39 Ca 0.13 0.63 -0.36 0.00 0.00 0.00 0.00 61.98 62.38 1wpl s VAL 39 Cb -0.20 -3.40 -0.15 0.00 0.00 0.00 0.00 36.38 32.63 1wpl s VAL 39 CO -0.17 0.13 1.60 -0.11 0.00 0.00 0.00 175.10 176.55 1wpl n LEU 40 N 1.47 2.60 0.00 3.92 0.00 -1.26 -1.22 117.00 122.51 1wpl n LEU 40 Ca 0.03 1.07 0.00 0.00 0.00 0.00 0.00 56.01 57.11 1wpl n LEU 40 Cb 0.41 -1.29 0.00 0.00 0.00 0.00 0.00 43.42 42.54 1wpl n LEU 40 CO 0.60 -0.50 0.00 0.61 0.00 0.00 0.00 177.39 178.10 1wpl n GLY 41 N 3.49 2.45 3.83 -3.96 0.00 -1.26 -5.06 105.19 104.68 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 -0.23 6.82 -0.82 1.61 0.01 -0.36 -5.00 114.94 116.97 1wpl s ASN 42 Ca 0.00 0.97 -0.00 0.00 -0.71 0.00 0.00 52.86 53.12 1wpl s ASN 42 Cb 0.00 -2.26 0.35 0.00 0.41 0.00 0.00 41.25 39.75 1wpl s ASN 42 CO 0.00 0.32 1.75 0.59 -1.51 0.00 0.00 177.10 178.25 1wpl n ASN 43 N 1.85 6.85 -3.56 -1.22 5.03 -1.26 -4.77 115.26 118.18 1wpl n ASN 43 Ca -0.14 -3.77 -0.06 0.00 0.87 0.00 0.00 54.58 51.49 1wpl n ASN 43 Cb 0.52 -0.97 -0.02 0.00 -1.02 0.00 0.00 39.78 38.29 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 -4.03 -0.21 0.27 3.10 -0.12 -1.26 -5.17 117.98 110.55 1wpl s PHE 44 Ca 0.47 0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.49 1wpl s PHE 44 Cb 0.35 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 43.23 1wpl s PHE 44 CO -0.28 -0.36 0.45 0.71 -0.05 0.00 0.00 175.22 175.69 1wpl s TYR 45 N -2.72 3.48 0.05 3.49 1.51 -1.26 -4.54 117.35 117.35 1wpl s TYR 45 Ca 0.08 0.24 -0.04 0.00 -1.01 0.00 0.00 57.07 56.34 1wpl s TYR 45 Cb -0.01 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 1wpl s TYR 45 CO -0.06 0.29 0.07 -1.83 -1.11 0.00 0.00 175.55 172.91 1wpl s GLU 46 N -3.92 0.61 -0.13 -0.62 -1.05 0.58 -3.93 118.70 110.23 1wpl s GLU 46 Ca 0.38 -0.88 -0.02 0.00 -0.15 0.00 0.00 54.97 54.29 1wpl s GLU 46 Cb -0.10 0.23 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 1wpl s GLU 46 CO 0.32 -0.15 -0.05 0.71 0.95 0.00 0.00 175.26 177.04 1wpl s TYR 47 N -3.02 2.99 0.13 4.83 1.51 0.13 -0.85 117.35 123.08 1wpl s TYR 47 Ca -0.01 -0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1wpl s TYR 47 Cb 0.01 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1wpl s TYR 47 CO -0.07 0.03 0.10 1.52 -1.11 0.00 0.00 175.55 176.03 1wpl s TYR 48 N 0.10 0.75 0.04 2.71 -0.85 -0.30 0.04 117.35 119.83 1wpl s TYR 48 Ca -0.01 -1.13 -0.00 0.00 -0.52 0.00 0.00 57.07 55.41 1wpl s TYR 48 Cb -0.14 -0.39 -0.03 0.00 0.38 0.00 0.00 41.96 41.79 1wpl s TYR 48 CO 0.03 -0.56 -0.03 0.14 -1.52 0.00 0.00 175.55 173.61 1wpl s VAL 49 N -4.03 0.20 -1.99 -3.49 -7.23 -0.69 -1.46 120.40 101.71 1wpl s VAL 49 Ca 0.22 -1.30 0.31 0.00 -1.81 0.00 0.00 61.98 59.40 1wpl s VAL 49 Cb 0.07 -0.81 0.73 0.00 0.56 0.00 0.00 36.38 36.93 1wpl s VAL 49 CO 0.01 -0.70 2.06 0.59 -0.31 0.00 0.00 175.10 176.76 1wpl n ASN 50 N 0.96 0.36 -4.82 4.85 3.02 -1.26 -0.43 115.26 117.95 1wpl n ASN 50 Ca -0.20 -0.95 -0.33 0.00 -0.03 0.00 0.00 54.58 53.07 1wpl n ASN 50 Cb 0.57 -0.04 -0.03 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 -2.13 6.46 0.77 6.41 1.01 -1.26 -3.81 116.67 124.12 1wpl s ASP 51 Ca 0.41 1.76 -0.11 0.00 0.71 0.00 0.00 52.55 55.32 1wpl s ASP 51 Cb 0.21 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.66 1wpl s ASP 51 CO 0.39 -0.70 1.08 -2.84 0.21 0.00 0.00 175.17 173.31 1wpl s PRO 52 N -3.59 2.31 0.42 8.23 0.02 -1.26 -3.42 135.00 137.70 1wpl s PRO 52 Ca 0.63 1.04 0.11 0.00 0.02 0.00 0.00 61.00 62.80 1wpl s PRO 52 Cb -0.13 -1.91 0.94 0.00 0.02 0.00 0.00 34.50 33.42 1wpl s PRO 52 CO 0.24 -1.57 2.00 -1.00 -0.33 0.00 0.00 177.00 176.34 1wpl h PRO 53 N -1.07 0.48 -0.33 5.54 0.13 -1.83 -2.66 132.00 132.26 1wpl h PRO 53 Ca -0.44 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 1wpl h PRO 53 Cb 1.23 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 1wpl h PRO 53 CO 0.54 0.32 0.11 -0.09 -0.23 0.00 0.00 178.00 178.65 1wpl h ARG 54 N 0.50 0.25 -0.96 0.86 2.43 -1.92 0.26 114.38 115.80 1wpl h ARG 54 Ca 0.25 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1wpl h ARG 54 Cb 0.34 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 1wpl h ARG 54 CO -0.07 0.16 0.63 0.82 -1.51 0.00 0.00 179.97 180.00 1wpl h ILE 55 N 0.25 1.25 -0.06 1.20 1.08 -1.85 -1.73 117.51 117.65 1wpl h ILE 55 Ca 0.15 -0.46 -0.10 0.00 -0.39 0.00 0.00 64.86 64.05 1wpl h ILE 55 Cb 0.12 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 33.70 1wpl h ILE 55 CO -0.16 0.24 -0.42 0.58 -0.69 0.00 0.00 178.15 177.71 1wpl h VAL 56 N 1.31 1.31 -0.36 1.67 2.07 -1.06 -2.13 116.25 119.06 1wpl h VAL 56 Ca 0.35 -1.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.24 1wpl h VAL 56 Cb -0.14 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1wpl h VAL 56 CO -0.07 0.44 -0.22 -0.07 0.02 0.00 0.00 177.57 177.67 1wpl h LEU 57 N 0.12 0.82 -0.65 2.57 3.38 0.22 -1.78 115.31 119.99 1wpl h LEU 57 Ca 0.01 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 1wpl h LEU 57 Cb 0.80 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1wpl h LEU 57 CO 0.06 1.07 0.17 0.44 0.09 0.00 0.00 178.44 180.27 1wpl h ASP 58 N 0.58 0.98 -0.82 -0.43 3.32 -1.18 -1.86 116.42 117.00 1wpl h ASP 58 Ca 0.07 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1wpl h ASP 58 Cb 0.78 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 1wpl h ASP 58 CO 0.06 0.95 0.41 0.11 -1.72 0.00 0.00 179.24 179.05 1wpl h LYS 59 N 0.96 1.18 0.00 3.56 1.57 -1.27 -2.04 116.57 120.53 1wpl h LYS 59 Ca 0.20 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1wpl h LYS 59 Cb 0.35 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1wpl h LYS 59 CO 0.00 0.90 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.48 1wpl h LEU 60 N 1.17 0.00 -0.15 2.94 3.38 -0.96 -2.64 115.31 119.05 1wpl h LEU 60 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1wpl h LEU 60 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wpl h LEU 60 CO -0.04 0.23 0.08 -0.08 0.09 0.00 0.00 178.44 178.72 1wpl h GLU 61 N 0.00 0.21 -0.30 1.13 4.57 -0.61 0.12 114.58 119.70 1wpl h GLU 61 Ca -0.00 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1wpl h GLU 61 Cb 0.67 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1wpl h GLU 61 CO 0.03 0.23 0.20 0.00 -1.18 0.00 0.00 179.01 178.29 1wpl n ARG 63 N -4.48 2.94 -2.33 0.00 3.00 -0.91 -4.92 116.66 109.95 1wpl n ARG 63 Ca 0.03 -1.86 -0.03 0.00 -0.01 0.00 0.00 57.85 55.98 1wpl n ARG 63 Cb 0.23 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 30.94 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 0.70 0.46 3.64 -0.13 0.00 0.60 -5.00 105.19 105.47 1wpl n GLY 64 Ca 0.17 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.55 2.86 -0.00 1.61 0.40 0.37 -1.90 117.98 118.76 1wpl s PHE 65 Ca 0.04 -0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.30 1wpl s PHE 65 Cb -0.02 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 1wpl s PHE 65 CO 0.05 0.47 -0.12 0.50 0.70 0.00 0.00 175.22 176.83 1wpl s ARG 66 N -2.48 0.94 -0.10 0.44 3.52 -0.24 -4.15 118.95 116.88 1wpl s ARG 66 Ca 0.25 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.11 1wpl s ARG 66 Cb -0.11 -0.91 -0.03 0.00 -1.56 0.00 0.00 34.95 32.34 1wpl s ARG 66 CO 0.17 0.25 1.38 0.08 -0.81 0.00 0.00 175.30 176.36 1wpl s VAL 67 N -0.33 4.01 -0.20 7.11 1.01 -1.26 -0.70 120.40 130.04 1wpl s VAL 67 Ca 0.04 1.27 -0.01 0.00 0.00 0.00 0.00 61.98 63.27 1wpl s VAL 67 Cb -0.05 -3.82 -0.21 0.00 0.00 0.00 0.00 36.38 32.31 1wpl s VAL 67 CO -0.00 -0.08 0.02 0.18 0.00 0.00 0.00 175.10 175.22 1wpl n LEU 68 N 6.39 2.81 -3.61 3.92 4.32 0.70 -4.94 117.00 126.59 1wpl n LEU 68 Ca 0.14 0.01 -0.15 0.00 -0.02 0.00 0.00 56.01 55.99 1wpl n LEU 68 Cb 0.44 -0.98 -0.06 0.00 -1.62 0.00 0.00 43.42 41.20 1wpl n LEU 68 CO 0.58 0.90 0.26 -0.55 -1.22 0.00 0.00 177.39 177.36 1wpl s SER 69 N -6.73 -0.44 -0.02 -1.43 0.15 -1.06 -5.01 113.70 99.17 1wpl s SER 69 Ca -0.29 0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.67 1wpl s SER 69 Cb 0.08 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 1wpl s SER 69 CO 0.67 -0.62 -0.05 -0.32 1.20 0.00 0.00 173.24 174.13 1wpl s MET 70 N -1.83 0.54 0.16 5.44 1.75 -1.26 -0.04 119.30 124.06 1wpl s MET 70 Ca -0.09 -0.14 -0.08 0.00 -1.25 0.00 0.00 55.69 54.13 1wpl s MET 70 Cb -0.01 -0.55 -0.01 0.00 2.84 0.00 0.00 34.83 37.09 1wpl s MET 70 CO 0.03 0.04 0.27 -0.08 -0.65 0.00 0.00 175.02 174.62 1wpl s THR 71 N 0.29 0.07 -0.06 10.11 -1.32 0.25 -5.00 115.64 119.98 1wpl s THR 71 Ca -0.03 -1.42 0.02 0.00 -1.21 0.00 0.00 61.69 59.05 1wpl s THR 71 Cb -0.07 -1.85 -0.03 0.00 -1.51 0.00 0.00 72.50 69.05 1wpl s THR 71 CO -0.00 -0.32 -0.11 -0.83 -2.21 0.00 0.00 174.62 171.15 1wpl s GLY 72 N -2.97 1.59 -0.19 6.08 0.00 -1.26 -0.20 107.32 110.38 1wpl s GLY 72 Ca 0.17 -0.94 -0.04 0.00 0.00 0.00 0.00 44.72 43.92 1wpl s GLY 72 CO -0.00 -0.68 0.06 0.54 0.00 0.00 0.00 173.10 173.03 1wpl s VAL 73 N -0.66 0.22 0.00 1.40 0.11 0.20 -4.99 120.40 116.68 1wpl s VAL 73 Ca 0.10 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1wpl s VAL 73 Cb -0.11 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 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 5.16 1.72 1.19 6.54 0.00 -1.26 -1.61 105.19 116.93 1wpl n GLY 74 Ca -0.08 -0.44 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 12.86 3.30 -4.12 1.61 1.13 -1.26 -4.94 117.38 125.96 1wpl n GLN 75 Ca 0.00 -2.65 -0.35 0.00 -1.94 0.00 0.00 57.00 52.06 1wpl n GLN 75 Cb 0.00 -1.70 -0.09 0.00 0.11 0.00 0.00 30.24 28.56 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 4.70 -0.19 5.09 2.01 -0.63 0.17 115.64 125.02 1wpl s THR 76 Ca 0.42 -0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.24 1wpl s THR 76 Cb 0.27 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1wpl s THR 76 CO 0.20 0.53 0.14 -0.22 -0.69 0.00 0.00 174.62 174.57 1wpl s LEU 77 N -0.17 4.23 -0.01 4.42 2.96 0.53 -0.63 118.68 130.02 1wpl s LEU 77 Ca 0.07 0.26 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 1wpl s LEU 77 Cb -0.12 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1wpl s LEU 77 CO 0.01 0.20 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.37 1wpl s VAL 78 N 0.21 1.47 -0.08 1.68 1.01 0.73 -1.29 120.40 124.13 1wpl s VAL 78 Ca 0.09 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1wpl s VAL 78 Cb -0.11 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 1wpl s VAL 78 CO -0.01 0.39 -0.24 0.26 0.00 0.00 0.00 175.10 175.49 1wpl s TRP 79 N -0.48 2.46 -0.34 5.22 0.51 0.53 -0.59 118.94 126.26 1wpl s TRP 79 Ca 0.07 -0.90 -0.08 0.00 -2.12 0.00 0.00 56.10 53.06 1wpl s TRP 79 Cb -0.07 -1.64 0.02 0.00 -0.81 0.00 0.00 33.47 30.97 1wpl s TRP 79 CO -0.00 -0.33 0.14 0.00 -0.51 0.00 0.00 176.95 176.24 1wpl s LEU 81 N 1.51 3.29 -0.01 0.00 1.02 0.07 -0.21 118.68 124.34 1wpl s LEU 81 Ca 0.01 -0.20 0.06 0.00 0.02 0.00 0.00 54.13 54.02 1wpl s LEU 81 Cb -0.18 -2.00 -0.02 0.00 0.02 0.00 0.00 46.19 44.01 1wpl s LEU 81 CO 0.04 0.21 -0.20 -2.28 0.02 0.00 0.00 176.35 174.15 1wpl s HIS 82 N -1.19 1.80 -0.71 0.29 2.46 0.13 -0.89 115.29 117.18 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 -1.16 -0.01 0.00 -0.13 0.00 0.00 32.58 31.17 1wpl s HIS 82 CO 0.14 -0.03 1.69 0.21 -2.47 0.00 0.00 174.74 174.28 1wpl s LYS 83 N -0.49 2.83 0.00 2.88 2.36 0.25 -1.08 119.74 126.50 1wpl s LYS 83 Ca 0.08 0.14 0.01 0.00 -2.55 0.00 0.00 55.97 53.64 1wpl s LYS 83 Cb -0.08 -4.49 0.00 0.00 -1.05 0.00 0.00 37.83 32.21 1wpl s LYS 83 CO -0.01 -2.63 0.52 0.39 1.55 0.00 0.00 175.35 175.17