#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wez s SER 2 N 0.00 3.29 -0.01 1.61 0.15 -1.26 -5.09 113.70 112.39 1wez s SER 2 Ca 0.00 -0.43 -0.30 0.00 0.70 0.00 0.00 55.95 55.92 1wez s SER 2 Cb 0.00 -0.72 -0.06 0.00 -1.71 0.00 0.00 66.02 63.53 1wez s SER 2 CO 0.00 0.28 1.47 -0.44 1.20 0.00 0.00 173.24 175.75 1wez s SER 3 N -0.38 6.79 0.79 5.45 0.01 -1.26 -4.79 113.70 120.30 1wez s SER 3 Ca 0.03 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.46 1wez s SER 3 Cb -0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1wez s SER 3 CO 0.02 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1wez n GLY 4 N 3.77 -0.11 3.36 3.44 0.00 -1.26 -4.95 105.19 109.44 1wez n GLY 4 Ca 0.14 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1wez n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wez s SER 5 N -4.00 0.05 -0.30 1.61 1.04 -1.26 -5.14 113.70 105.70 1wez s SER 5 Ca 0.00 -1.00 -0.15 0.00 0.48 0.00 0.00 55.95 55.28 1wez s SER 5 Cb 0.00 0.45 0.18 0.00 0.10 0.00 0.00 66.02 66.75 1wez s SER 5 CO 0.00 -0.93 1.15 -0.55 0.98 0.00 0.00 173.24 173.89 1wez s SER 6 N -3.02 -0.10 0.00 7.02 0.15 -1.26 -5.08 113.70 111.41 1wez s SER 6 Ca 0.23 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1wez s SER 6 Cb 0.03 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 1wez s SER 6 CO 0.04 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1wez n GLY 7 N 4.72 -1.81 3.49 9.45 0.00 -1.26 -5.13 105.19 114.65 1wez n GLY 7 Ca 0.09 0.72 -0.42 0.00 0.00 0.00 0.00 46.02 46.42 1wez n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wez s SER 8 N 0.00 6.11 -0.26 1.61 1.04 -1.26 -5.04 113.70 115.91 1wez s SER 8 Ca 0.00 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.80 1wez s SER 8 Cb 0.00 -2.17 0.06 0.00 0.10 0.00 0.00 66.02 64.02 1wez s SER 8 CO 0.00 -0.39 -0.10 -0.94 0.98 0.00 0.00 173.24 172.79 1wez s SER 9 N 1.71 4.34 -0.00 7.02 1.04 -1.26 -5.10 113.70 121.45 1wez s SER 9 Ca 0.07 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1wez s SER 9 Cb -0.18 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1wez s SER 9 CO 0.11 -0.20 -0.01 0.12 0.98 0.00 0.00 173.24 174.24 1wez s PHE 10 N 1.16 0.12 -0.18 5.02 2.19 -1.26 -5.13 117.98 119.90 1wez s PHE 10 Ca -0.08 -0.01 -0.05 0.00 0.33 0.00 0.00 56.93 57.12 1wez s PHE 10 Cb -0.20 -0.10 0.07 0.00 -1.31 0.00 0.00 43.02 41.48 1wez s PHE 10 CO -0.05 -0.01 0.12 -0.65 1.83 0.00 0.00 175.22 176.45 1wez s GLN 11 N 0.08 0.09 0.39 10.12 -0.21 -1.26 -5.13 119.66 123.75 1wez s GLN 11 Ca -0.01 -0.01 -0.23 0.00 0.02 0.00 0.00 55.36 55.13 1wez s GLN 11 Cb -0.02 -1.68 -0.13 0.00 1.00 0.00 0.00 33.01 32.18 1wez s GLN 11 CO -0.00 -0.66 0.54 -1.13 -2.12 0.00 0.00 175.29 171.92 1wez n SER 12 N 5.29 -0.89 -4.41 5.90 3.41 -1.26 -4.99 113.62 116.67 1wez n SER 12 Ca -0.07 0.94 -0.21 0.00 -0.26 0.00 0.00 58.87 59.28 1wez n SER 12 Cb 0.49 -1.10 -0.10 0.00 -0.26 0.00 0.00 64.21 63.24 1wez n SER 12 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1wez s THR 13 N -1.42 1.66 0.00 6.66 -4.23 -1.26 -4.83 115.64 112.22 1wez s THR 13 Ca 0.63 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1wez s THR 13 Cb -0.64 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1wez s THR 13 CO 0.58 -0.35 0.00 0.35 -0.54 0.00 0.00 174.62 174.67 1wez n THR 14 N -0.55 0.00 0.00 3.99 -2.24 -1.26 -4.13 114.28 110.09 1wez n THR 14 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1wez n THR 14 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1wez n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wez n GLY 15 N 0.00 3.71 3.74 3.38 0.00 -1.26 -5.02 105.19 109.74 1wez n GLY 15 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1wez n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wez s HIS 16 N 0.00 3.75 0.20 1.61 3.76 -1.26 -2.91 115.29 120.43 1wez s HIS 16 Ca 0.00 1.74 -0.04 0.00 -0.15 0.00 0.00 55.06 56.60 1wez s HIS 16 Cb 0.00 -3.14 -0.03 0.00 1.11 0.00 0.00 32.58 30.53 1wez s HIS 16 CO 0.00 -0.09 0.21 0.00 -0.85 0.00 0.00 174.74 174.01 1wez s VAL 18 N -4.10 -0.49 0.10 0.00 1.01 -0.24 -2.24 120.40 114.44 1wez s VAL 18 Ca 0.31 -0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.02 1wez s VAL 18 Cb 0.05 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 1wez s VAL 18 CO 0.09 -0.15 0.59 -2.28 0.00 0.00 0.00 175.10 173.35 1wez s HIS 19 N 2.45 3.78 0.06 5.22 2.46 -0.77 -0.11 115.29 128.38 1wez s HIS 19 Ca 0.10 1.28 0.10 0.00 0.47 0.00 0.00 55.06 57.01 1wez s HIS 19 Cb -0.16 -2.51 -0.03 0.00 -0.13 0.00 0.00 32.58 29.76 1wez s HIS 19 CO -0.14 0.55 -0.26 -1.64 -2.47 0.00 0.00 174.74 170.77 1wez s MET 20 N -1.27 1.71 0.00 2.88 -1.94 0.66 -0.41 119.30 120.93 1wez s MET 20 Ca 0.31 -1.16 -0.07 0.00 -1.71 0.00 0.00 55.69 53.07 1wez s MET 20 Cb -0.19 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.70 1wez s MET 20 CO 0.20 0.50 0.13 1.03 -0.01 0.00 0.00 175.02 176.86 1wez s ARG 21 N -1.40 0.47 -0.80 2.03 0.52 -0.43 -0.14 118.95 119.19 1wez s ARG 21 Ca 0.12 -0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 1wez s ARG 21 Cb -0.10 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 1wez s ARG 21 CO 0.03 -0.11 0.69 0.41 0.02 0.00 0.00 175.30 176.34 1wez n GLY 22 N 1.50 -0.53 3.94 -3.53 0.00 -0.94 0.19 105.19 105.82 1wez n GLY 22 Ca -0.23 0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1wez n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wez s LEU 23 N -4.86 4.20 0.61 0.99 1.02 0.40 -2.82 118.68 118.21 1wez s LEU 23 Ca 0.27 0.32 -0.15 0.00 0.02 0.00 0.00 54.13 54.59 1wez s LEU 23 Cb -0.04 -3.12 -0.03 0.00 0.02 0.00 0.00 46.19 43.03 1wez s LEU 23 CO 0.55 -0.12 1.05 -2.16 0.02 0.00 0.00 176.35 175.69 1wez s PRO 24 N -3.76 3.30 0.08 1.29 0.04 -1.26 -4.66 135.00 130.02 1wez s PRO 24 Ca 0.37 1.12 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 1wez s PRO 24 Cb -0.10 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 1wez s PRO 24 CO 0.31 -0.82 1.64 -0.92 0.04 0.00 0.00 177.00 177.25 1wez h TYR 25 N 0.22 0.11 -0.51 0.56 3.20 -2.00 -2.87 116.97 115.69 1wez h TYR 25 Ca -0.46 -0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.08 1wez h TYR 25 Cb 1.21 -0.03 -0.12 0.00 1.54 0.00 0.00 36.73 39.33 1wez h TYR 25 CO 0.60 0.19 0.07 0.54 -1.64 0.00 0.00 178.16 177.92 1wez n ARG 26 N -4.97 2.06 -4.01 1.82 5.12 -1.26 -4.77 116.66 110.65 1wez n ARG 26 Ca -0.06 -1.55 -0.31 0.00 -1.93 0.00 0.00 57.85 53.99 1wez n ARG 26 Cb 0.09 -1.93 -0.15 0.00 -1.16 0.00 0.00 32.46 29.31 1wez n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wez s ALA 27 N -0.58 2.40 0.41 7.54 0.00 -1.08 -5.05 121.76 125.39 1wez s ALA 27 Ca 0.53 -1.78 0.08 0.00 0.00 0.00 0.00 51.96 50.79 1wez s ALA 27 Cb 0.31 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1wez s ALA 27 CO -0.10 -1.31 0.46 -0.08 0.00 0.00 0.00 175.76 174.73 1wez s THR 28 N 1.17 2.92 0.15 0.00 -1.32 -1.26 -4.92 115.64 112.39 1wez s THR 28 Ca -0.04 -1.19 -0.24 0.00 -1.21 0.00 0.00 61.69 59.01 1wez s THR 28 Cb -0.19 -3.03 0.03 0.00 -1.51 0.00 0.00 72.50 67.79 1wez s THR 28 CO -0.07 -0.02 1.60 -0.33 -2.21 0.00 0.00 174.62 173.59 1wez h GLU 29 N 0.88 -0.29 -0.98 7.08 3.07 -1.98 0.13 114.58 122.49 1wez h GLU 29 Ca -0.41 0.02 0.27 0.00 -0.50 0.00 0.00 59.36 58.74 1wez h GLU 29 Cb 1.27 0.07 -0.18 0.00 -0.84 0.00 0.00 28.75 29.07 1wez h GLU 29 CO 0.52 -0.20 0.06 -0.91 -1.40 0.00 0.00 179.01 177.09 1wez h ASN 30 N -0.30 -0.42 -0.55 1.42 2.35 -1.98 2.33 115.58 118.43 1wez h ASN 30 Ca 0.15 0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 56.09 1wez h ASN 30 Cb 0.55 0.46 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 1wez h ASN 30 CO -0.49 -0.35 0.05 0.44 -1.65 0.00 0.00 177.43 175.44 1wez h ASP 31 N 0.02 0.91 0.02 5.81 3.32 -1.21 -1.20 116.42 124.08 1wez h ASP 31 Ca 0.60 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 1wez h ASP 31 Cb 1.26 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1wez h ASP 31 CO -0.90 0.96 -0.19 0.40 -1.72 0.00 0.00 179.24 177.80 1wez h ILE 32 N 0.82 1.22 -0.51 0.35 2.04 0.48 1.53 117.51 123.45 1wez h ILE 32 Ca 0.16 -1.03 -0.12 0.00 1.00 0.00 0.00 64.86 64.87 1wez h ILE 32 Cb 0.47 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1wez h ILE 32 CO 0.02 0.32 -0.17 1.88 0.00 0.00 0.00 178.15 180.20 1wez h TYR 33 N 0.29 1.16 0.08 1.37 0.05 0.28 -2.86 116.97 117.34 1wez h TYR 33 Ca 0.05 -0.26 -0.28 0.00 0.05 0.00 0.00 58.73 58.29 1wez h TYR 33 Cb 0.51 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1wez h TYR 33 CO 0.01 1.09 -1.44 -0.97 -1.05 0.00 0.00 178.16 175.80 1wez h ASN 34 N 0.89 0.25 0.00 3.88 -0.73 -0.83 -3.07 115.58 115.96 1wez h ASN 34 Ca 0.12 -0.34 0.00 0.00 1.87 0.00 0.00 56.30 57.95 1wez h ASN 34 Cb 0.75 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.26 1wez h ASN 34 CO 0.06 1.29 0.03 0.33 -0.37 0.00 0.00 177.43 178.76 1wez n PHE 35 N -3.37 0.69 0.34 0.67 7.35 0.52 -0.29 117.46 123.37 1wez n PHE 35 Ca -0.13 0.36 0.06 0.00 -0.76 0.00 0.00 57.45 56.98 1wez n PHE 35 Cb 1.02 -1.05 -0.08 0.00 0.35 0.00 0.00 39.48 39.72 1wez n PHE 35 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1wez n PHE 36 N -2.22 0.00 -1.76 -5.13 3.72 -1.09 -4.91 117.46 106.08 1wez n PHE 36 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.01 1wez n PHE 36 Cb 0.06 -0.11 0.05 0.00 -0.94 0.00 0.00 39.48 38.54 1wez n PHE 36 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wez s SER 37 N -2.67 4.98 -0.15 4.37 0.15 0.60 -3.51 113.70 117.47 1wez s SER 37 Ca 0.01 2.72 -0.29 0.00 0.70 0.00 0.00 55.95 59.08 1wez s SER 37 Cb 0.09 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1wez s SER 37 CO 0.51 -1.76 1.27 -2.16 1.20 0.00 0.00 173.24 172.30 1wez s PRO 38 N -3.10 4.24 0.11 5.44 0.04 -1.26 -5.02 135.00 135.45 1wez s PRO 38 Ca 0.76 1.68 -0.26 0.00 0.04 0.00 0.00 61.00 63.22 1wez s PRO 38 Cb -0.39 -3.76 0.08 0.00 0.04 0.00 0.00 34.50 30.46 1wez s PRO 38 CO 0.45 -0.70 1.01 -0.51 0.04 0.00 0.00 177.00 177.29 1wez s LEU 39 N 3.44 -0.17 -0.35 -3.56 1.43 -1.23 -5.02 118.68 113.23 1wez s LEU 39 Ca 0.55 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1wez s LEU 39 Cb -0.22 2.02 0.13 0.00 0.03 0.00 0.00 46.19 48.14 1wez s LEU 39 CO 0.16 -0.78 0.20 0.21 0.23 0.00 0.00 176.35 176.36 1wez s ASN 40 N -2.92 3.19 -0.04 2.29 2.47 -1.26 -4.99 114.94 113.68 1wez s ASN 40 Ca 0.12 -2.07 -0.30 0.00 0.42 0.00 0.00 52.86 51.03 1wez s ASN 40 Cb -0.00 -0.49 -0.04 0.00 -1.45 0.00 0.00 41.25 39.27 1wez s ASN 40 CO 0.01 -0.33 1.21 -2.16 -3.72 0.00 0.00 177.10 172.11 1wez s PRO 41 N 1.18 4.36 0.25 0.43 0.04 -1.26 -4.66 135.00 135.33 1wez s PRO 41 Ca 0.16 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 1wez s PRO 41 Cb -0.22 -3.53 0.44 0.00 0.04 0.00 0.00 34.50 31.23 1wez s PRO 41 CO -0.06 -0.43 1.80 0.52 0.04 0.00 0.00 177.00 178.87 1wez h MET 42 N 7.41 0.76 -1.75 4.56 2.86 0.20 -3.44 114.93 125.54 1wez h MET 42 Ca -0.35 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.26 1wez h MET 42 Cb 1.17 -0.17 -0.24 0.00 0.06 0.00 0.00 31.60 32.42 1wez h MET 42 CO 0.87 0.51 0.34 1.03 1.06 0.00 0.00 176.91 180.72 1wez s ARG 43 N -6.01 0.64 -0.34 1.72 0.52 -1.24 -4.98 118.95 109.26 1wez s ARG 43 Ca -0.12 0.69 -0.05 0.00 -0.52 0.00 0.00 55.73 55.73 1wez s ARG 43 Cb 0.20 0.31 0.05 0.00 0.52 0.00 0.00 34.95 36.04 1wez s ARG 43 CO 0.78 -0.09 0.09 0.08 0.02 0.00 0.00 175.30 176.19 1wez s VAL 44 N 0.13 3.53 -0.26 3.52 1.01 -1.26 -2.59 120.40 124.48 1wez s VAL 44 Ca 0.01 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.50 1wez s VAL 44 Cb -0.05 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1wez s VAL 44 CO -0.03 -0.23 0.52 -2.28 0.00 0.00 0.00 175.10 173.08 1wez s HIS 45 N 1.33 3.26 -0.30 5.22 2.46 0.22 -4.94 115.29 122.54 1wez s HIS 45 Ca -0.01 0.62 -0.10 0.00 0.47 0.00 0.00 55.06 56.04 1wez s HIS 45 Cb -0.20 -2.73 -0.02 0.00 -0.13 0.00 0.00 32.58 29.50 1wez s HIS 45 CO 0.01 -0.29 0.16 0.42 -2.47 0.00 0.00 174.74 172.56 1wez s ILE 46 N 2.32 4.74 -0.11 0.89 -1.09 -1.26 -0.25 121.20 126.43 1wez s ILE 46 Ca 0.21 -0.30 -0.29 0.00 -2.23 0.00 0.00 60.65 58.04 1wez s ILE 46 Cb -0.16 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1wez s ILE 46 CO 0.09 0.11 1.43 -0.70 -1.23 0.00 0.00 174.94 174.65 1wez s GLU 47 N 1.64 4.22 -0.18 2.79 2.12 -1.21 -5.00 118.70 123.08 1wez s GLU 47 Ca 0.05 1.90 -0.08 0.00 0.36 0.00 0.00 54.97 57.20 1wez s GLU 47 Cb -0.17 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 1wez s GLU 47 CO 0.07 -0.75 0.09 0.42 -0.54 0.00 0.00 175.26 174.54 1wez s ILE 48 N 3.64 5.02 0.00 -3.70 -1.09 -1.26 -2.46 121.20 121.35 1wez s ILE 48 Ca 0.63 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 1wez s ILE 48 Cb -0.27 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 1wez s ILE 48 CO 0.22 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1wez n GLY 49 N 3.39 -1.54 0.00 6.18 0.00 0.57 -4.75 105.19 109.04 1wez n GLY 49 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1wez n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wez n PRO 50 N 0.00 0.00 -1.60 1.61 -0.04 -1.26 -4.89 135.00 128.82 1wez n PRO 50 Ca 0.00 0.50 -0.02 0.00 -0.04 0.00 0.00 63.50 63.94 1wez n PRO 50 Cb 0.00 -1.12 0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1wez n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1wez n ASP 51 N -1.99 -0.68 0.02 3.54 5.75 -1.26 -4.98 116.55 116.95 1wez n ASP 51 Ca 0.00 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 1wez n ASP 51 Cb 0.00 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wez n GLY 52 N -0.51 -1.46 3.69 6.12 0.00 -1.26 -5.14 105.19 106.62 1wez n GLY 52 Ca -0.12 0.59 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 1wez n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wez n ARG 53 N -3.04 0.12 -2.82 1.61 1.74 -1.26 -4.79 116.66 108.22 1wez n ARG 53 Ca 0.00 0.12 -0.19 0.00 -0.77 0.00 0.00 57.85 57.01 1wez n ARG 53 Cb 0.00 -2.44 0.03 0.00 -1.02 0.00 0.00 32.46 29.03 1wez n ARG 53 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1wez s VAL 54 N -2.17 2.80 -0.11 1.55 -7.23 -1.26 -0.31 120.40 113.66 1wez s VAL 54 Ca 0.73 -0.83 0.10 0.00 -1.81 0.00 0.00 61.98 60.17 1wez s VAL 54 Cb -0.29 -2.97 -0.14 0.00 0.56 0.00 0.00 36.38 33.54 1wez s VAL 54 CO 0.51 0.00 0.04 0.35 -0.31 0.00 0.00 175.10 175.70 1wez n THR 55 N -2.12 0.76 0.00 5.32 -2.24 -1.03 -4.45 114.28 110.53 1wez n THR 55 Ca 0.08 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1wez n THR 55 Cb 0.59 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1wez n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wez n GLY 56 N 2.29 1.64 3.89 3.38 0.00 -1.26 -4.88 105.19 110.24 1wez n GLY 56 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1wez n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wez s GLU 57 N 0.00 3.72 -0.10 1.61 8.01 -1.26 -0.46 118.70 130.23 1wez s GLU 57 Ca 0.00 0.21 -0.12 0.00 0.01 0.00 0.00 54.97 55.07 1wez s GLU 57 Cb 0.00 -2.57 0.03 0.00 -4.31 0.00 0.00 34.13 27.28 1wez s GLU 57 CO 0.00 0.16 0.32 0.00 0.01 0.00 0.00 175.26 175.75 1wez s ALA 58 N -2.11 -0.79 -0.11 5.21 0.00 0.80 -3.34 121.76 121.42 1wez s ALA 58 Ca 0.47 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1wez s ALA 58 Cb -0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1wez s ALA 58 CO 0.28 -0.18 -0.07 -0.51 0.00 0.00 0.00 175.76 175.29 1wez s ASP 59 N -0.19 4.60 0.16 0.00 1.01 0.65 0.24 116.67 123.13 1wez s ASP 59 Ca -0.03 -0.11 0.07 0.00 0.71 0.00 0.00 52.55 53.19 1wez s ASP 59 Cb -0.03 -1.47 -0.04 0.00 1.01 0.00 0.00 42.92 42.39 1wez s ASP 59 CO 0.01 0.26 -0.16 -0.69 0.21 0.00 0.00 175.17 174.80 1wez s VAL 60 N -0.18 1.62 0.01 -1.27 1.01 0.84 0.69 120.40 123.13 1wez s VAL 60 Ca 0.02 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.08 1wez s VAL 60 Cb -0.13 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 1wez s VAL 60 CO 0.03 -0.43 -0.02 -1.61 0.00 0.00 0.00 175.10 173.08 1wez s GLU 61 N -2.98 0.14 0.20 2.72 8.01 -1.07 -1.08 118.70 124.65 1wez s GLU 61 Ca 0.15 -0.19 0.06 0.00 0.01 0.00 0.00 54.97 55.00 1wez s GLU 61 Cb -0.04 -0.04 -0.05 0.00 -4.31 0.00 0.00 34.13 29.69 1wez s GLU 61 CO 0.05 0.01 -0.10 -0.06 0.01 0.00 0.00 175.26 175.17 1wez s PHE 62 N -0.39 1.59 -0.02 1.61 0.08 -1.01 0.21 117.98 120.04 1wez s PHE 62 Ca -0.04 -0.70 -0.21 0.00 0.12 0.00 0.00 56.93 56.11 1wez s PHE 62 Cb -0.03 -0.81 -0.30 0.00 -0.57 0.00 0.00 43.02 41.30 1wez s PHE 62 CO -0.00 0.20 0.95 0.00 -0.10 0.00 0.00 175.22 176.27 1wez h ALA 63 N 2.57 -0.07 -4.84 5.36 0.00 -1.86 -3.38 119.26 117.04 1wez h ALA 63 Ca -0.38 -0.70 -0.30 0.00 0.00 0.00 0.00 54.91 53.53 1wez h ALA 63 Cb 1.21 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1wez h ALA 63 CO 0.64 0.42 -0.16 0.25 0.00 0.00 0.00 179.25 180.39 1wez n THR 64 N -4.08 0.00 -0.00 0.00 -2.24 -1.26 -4.79 114.28 101.91 1wez n THR 64 Ca -0.14 -1.13 -0.22 0.00 -2.27 0.00 0.00 64.05 60.30 1wez n THR 64 Cb 0.84 -0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.79 1wez n THR 64 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1wez h HIS 65 N 0.71 0.43 -0.89 4.78 2.76 -1.97 -3.36 115.15 117.62 1wez h HIS 65 Ca -0.19 -0.31 0.18 0.00 -2.20 0.00 0.00 60.37 57.85 1wez h HIS 65 Cb 0.64 -0.02 -0.11 0.00 1.55 0.00 0.00 27.41 29.48 1wez h HIS 65 CO 0.00 1.66 0.45 0.93 -1.30 0.00 0.00 177.93 179.67 1wez h GLU 66 N -0.20 0.56 0.00 5.26 4.39 -1.99 1.53 114.58 124.14 1wez h GLU 66 Ca -0.37 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1wez h GLU 66 Cb 1.85 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 1wez h GLU 66 CO 0.05 0.37 0.00 -0.44 -1.16 0.00 0.00 179.01 177.82 1wez h ASP 67 N 0.57 0.00 0.00 1.42 5.19 -1.99 0.50 116.42 122.11 1wez h ASP 67 Ca 0.51 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.85 1wez h ASP 67 Cb 0.82 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 1wez h ASP 67 CO -0.42 0.00 -0.52 0.00 -3.12 0.00 0.00 179.24 175.18 1wez h ALA 68 N 2.03 0.08 -0.63 3.45 0.00 0.20 -3.35 119.26 121.04 1wez h ALA 68 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1wez h ALA 68 Cb 0.06 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1wez h ALA 68 CO 0.00 0.37 0.41 0.28 0.00 0.00 0.00 179.25 180.31 1wez h VAL 69 N -1.00 1.16 -0.81 0.00 2.07 -0.74 -0.34 116.25 116.59 1wez h VAL 69 Ca -0.10 -0.31 0.24 0.00 0.82 0.00 0.00 66.70 67.35 1wez h VAL 69 Cb 0.71 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1wez h VAL 69 CO -0.06 0.16 0.87 0.00 0.02 0.00 0.00 177.57 178.56 1wez h ALA 70 N 1.23 2.65 -0.01 1.67 0.00 -0.19 1.68 119.26 126.28 1wez h ALA 70 Ca 0.23 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1wez h ALA 70 Cb -0.09 0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wez h ALA 70 CO -0.05 -1.29 -0.77 0.00 0.00 0.00 0.00 179.25 177.14 1wez h ALA 71 N 1.03 0.11 -0.55 0.00 0.00 -1.18 -3.12 119.26 115.54 1wez h ALA 71 Ca 0.39 -0.62 0.16 0.00 0.00 0.00 0.00 54.91 54.84 1wez h ALA 71 Cb 2.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.93 1wez h ALA 71 CO -0.00 0.49 0.82 0.52 0.00 0.00 0.00 179.25 181.07 1wez h MET 72 N 0.12 0.00 -0.12 0.00 2.86 0.26 1.63 114.93 119.66 1wez h MET 72 Ca -0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1wez h MET 72 Cb 1.46 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 1wez h MET 72 CO 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 176.91 178.10 1wez h ALA 73 N 0.88 1.73 -0.96 6.32 0.00 -1.47 -1.63 119.26 124.14 1wez h ALA 73 Ca 0.26 -0.10 -0.65 0.00 0.00 0.00 0.00 54.91 54.42 1wez h ALA 73 Cb 1.90 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 19.29 1wez h ALA 73 CO -0.00 0.20 0.32 1.63 0.00 0.00 0.00 179.25 181.40 1wez n LYS 74 N -4.40 3.01 -2.92 0.00 4.76 0.55 -4.94 118.16 114.22 1wez n LYS 74 Ca -0.01 -3.65 -0.41 0.00 -2.87 0.00 0.00 58.31 51.38 1wez n LYS 74 Cb 0.17 -2.28 -0.04 0.00 -1.84 0.00 0.00 35.03 31.04 1wez n LYS 74 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1wez s ASP 75 N -2.36 7.06 -0.02 4.39 -4.77 -0.61 -3.18 116.67 117.17 1wez s ASP 75 Ca 0.58 1.29 0.00 0.00 -3.30 0.00 0.00 52.55 51.12 1wez s ASP 75 Cb 0.47 -2.46 0.00 0.00 -1.09 0.00 0.00 42.92 39.84 1wez s ASP 75 CO -0.05 -0.25 0.00 0.29 0.70 0.00 0.00 175.17 175.86 1wez n LYS 76 N 4.31 -1.16 -1.02 2.11 4.76 -0.92 -4.94 118.16 121.30 1wez n LYS 76 Ca 0.02 0.30 -0.29 0.00 -2.87 0.00 0.00 58.31 55.47 1wez n LYS 76 Cb 0.50 -4.18 0.17 0.00 -1.84 0.00 0.00 35.03 29.68 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wez s ALA 77 N -1.43 1.02 -0.61 7.82 0.00 -1.19 -4.56 121.76 122.81 1wez s ALA 77 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 1wez s ALA 77 Cb 0.00 -3.21 0.15 0.00 0.00 0.00 0.00 23.12 20.06 1wez s ALA 77 CO 0.00 -2.78 0.53 1.21 0.00 0.00 0.00 175.76 174.72 1wez s ASN 78 N -3.18 6.17 0.19 0.00 3.84 -1.26 -3.30 114.94 117.40 1wez s ASN 78 Ca 0.65 -2.12 -0.11 0.00 0.21 0.00 0.00 52.86 51.49 1wez s ASN 78 Cb -0.20 -2.14 0.10 0.00 -0.55 0.00 0.00 41.25 38.46 1wez s ASN 78 CO 0.59 -0.72 1.77 -0.03 -2.79 0.00 0.00 177.10 175.92 1wez h MET 79 N 8.39 0.95 0.00 0.43 1.85 -1.94 -3.44 114.93 121.17 1wez h MET 79 Ca -0.16 -0.15 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 1wez h MET 79 Cb 1.07 -0.17 0.00 0.00 0.43 0.00 0.00 31.60 32.93 1wez h MET 79 CO 0.90 0.77 0.00 1.04 -0.40 0.00 0.00 176.91 179.22 1wez n GLN 80 N -4.46 0.00 -0.39 0.39 6.02 -1.26 -5.00 117.38 112.68 1wez n GLN 80 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1wez n GLN 80 Cb 0.14 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.40 1wez n GLN 80 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1wez n HIS 81 N -1.70 0.00 -4.37 1.08 1.44 -1.26 -5.11 115.22 105.31 1wez n HIS 81 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 1wez n HIS 81 Cb 0.00 0.05 -0.10 0.00 0.12 0.00 0.00 29.99 30.07 1wez n HIS 81 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wez s ARG 82 N 0.00 1.58 -0.35 -1.40 1.81 -1.26 -5.11 118.95 114.22 1wez s ARG 82 Ca 0.00 -1.89 -0.03 0.00 -1.72 0.00 0.00 55.73 52.09 1wez s ARG 82 Cb 0.00 -0.33 0.07 0.00 -0.45 0.00 0.00 34.95 34.25 1wez s ARG 82 CO 0.00 -0.36 0.10 0.71 -0.68 0.00 0.00 175.30 175.06 1wez s TYR 83 N -3.57 3.40 0.03 -0.53 2.02 -1.26 -3.69 117.35 113.74 1wez s TYR 83 Ca 0.35 -2.03 -0.16 0.00 -0.37 0.00 0.00 57.07 54.86 1wez s TYR 83 Cb 0.06 -2.58 -0.06 0.00 -0.40 0.00 0.00 41.96 38.98 1wez s TYR 83 CO 0.15 -0.86 0.47 0.14 -1.57 0.00 0.00 175.55 173.88 1wez s VAL 84 N 1.23 4.92 -0.26 0.71 -7.23 -1.13 -4.73 120.40 113.92 1wez s VAL 84 Ca 0.01 0.97 -0.19 0.00 -1.81 0.00 0.00 61.98 60.96 1wez s VAL 84 Cb -0.21 -3.78 -0.02 0.00 0.56 0.00 0.00 36.38 32.93 1wez s VAL 84 CO -0.02 0.57 0.56 -1.61 -0.31 0.00 0.00 175.10 174.29 1wez s GLU 85 N -1.10 4.06 -0.07 4.82 0.41 0.49 -2.15 118.70 125.16 1wez s GLU 85 Ca 0.26 0.38 -0.16 0.00 -0.41 0.00 0.00 54.97 55.04 1wez s GLU 85 Cb -0.18 -3.66 -0.05 0.00 -1.78 0.00 0.00 34.13 28.46 1wez s GLU 85 CO 0.15 -0.39 0.41 -0.51 -0.49 0.00 0.00 175.26 174.43 1wez s LEU 86 N 2.40 4.36 -0.24 1.80 1.43 -1.26 -1.32 118.68 125.85 1wez s LEU 86 Ca 0.23 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 1wez s LEU 86 Cb -0.16 -2.58 0.05 0.00 0.03 0.00 0.00 46.19 43.54 1wez s LEU 86 CO 0.09 0.17 -0.12 -0.36 0.23 0.00 0.00 176.35 176.36 1wez s PHE 87 N -0.18 3.03 -0.91 0.29 0.40 0.45 -4.89 117.98 116.18 1wez s PHE 87 Ca 0.23 -2.11 -0.24 0.00 -0.60 0.00 0.00 56.93 54.21 1wez s PHE 87 Cb -0.15 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.55 1wez s PHE 87 CO 0.10 -0.85 1.46 -1.17 0.70 0.00 0.00 175.22 175.46 1wez s LEU 88 N 1.19 3.36 -0.33 -0.37 1.98 -1.26 -1.86 118.68 121.39 1wez s LEU 88 Ca -0.06 -1.01 0.01 0.00 -2.89 0.00 0.00 54.13 50.17 1wez s LEU 88 Cb -0.19 -2.56 0.08 0.00 0.66 0.00 0.00 46.19 44.18 1wez s LEU 88 CO -0.07 -1.75 0.05 0.20 -1.89 0.00 0.00 176.35 172.90 1wez s ASN 89 N 4.98 4.87 0.21 3.68 0.01 -0.95 -5.04 114.94 122.70 1wez s ASN 89 Ca 0.46 -1.75 -0.04 0.00 -0.71 0.00 0.00 52.86 50.82 1wez s ASN 89 Cb -0.03 -1.69 -0.03 0.00 0.41 0.00 0.00 41.25 39.91 1wez s ASN 89 CO -0.00 -0.35 0.22 -0.55 -1.51 0.00 0.00 177.10 174.90 1wez s SER 90 N 1.27 0.09 -0.14 -1.22 0.15 -1.26 0.11 113.70 112.70 1wez s SER 90 Ca 0.02 -1.25 -0.09 0.00 0.70 0.00 0.00 55.95 55.33 1wez s SER 90 Cb -0.20 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1wez s SER 90 CO -0.05 -0.91 -0.14 0.74 1.20 0.00 0.00 173.24 174.09 1wez h THR 91 N 2.54 0.06 -2.19 6.45 2.02 -1.90 -3.48 112.91 116.41 1wez h THR 91 Ca -0.33 -1.08 0.18 0.00 0.77 0.00 0.00 66.41 65.95 1wez h THR 91 Cb 1.25 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1wez h THR 91 CO 0.49 0.02 -0.23 0.00 0.37 0.00 0.00 175.52 176.16 1wez n ALA 92 N -3.55 -1.68 0.00 6.16 0.00 -1.26 -4.99 120.51 115.20 1wez n ALA 92 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1wez n ALA 92 Cb 0.27 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1wez n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wez n GLY 93 N -2.00 -0.89 3.59 0.00 0.00 -1.26 -5.12 105.19 99.50 1wez n GLY 93 Ca 0.00 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1wez n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wez s THR 94 N 0.00 4.56 -0.11 2.61 -4.23 -1.26 -4.98 115.64 112.24 1wez s THR 94 Ca 0.00 0.99 -0.30 0.00 -1.18 0.00 0.00 61.69 61.20 1wez s THR 94 Cb 0.00 -4.35 0.12 0.00 1.34 0.00 0.00 72.50 69.60 1wez s THR 94 CO 0.00 -0.63 0.95 -0.44 -0.54 0.00 0.00 174.62 173.96 1wez s SER 95 N 2.01 -0.38 0.00 3.99 0.01 -1.26 -5.14 113.70 112.93 1wez s SER 95 Ca 0.37 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1wez s SER 95 Cb -0.11 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1wez s SER 95 CO 0.21 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1wez n GLY 96 N 0.42 0.08 5.00 3.44 0.00 -1.26 -5.02 105.19 107.85 1wez n GLY 96 Ca -0.10 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1wez n GLY 96 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wez n SER 97 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.33 113.62 117.28 1wez n SER 97 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wez n SER 97 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wez n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wez n GLY 98 N 0.00 2.49 3.09 0.23 0.00 -1.26 -5.02 105.19 104.72 1wez n GLY 98 Ca 0.00 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1wez n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wez n PRO 99 N 0.00 2.22 -3.64 1.61 -0.04 -1.26 -4.79 135.00 129.09 1wez n PRO 99 Ca 0.00 -2.38 -0.13 0.00 -0.04 0.00 0.00 63.50 60.94 1wez n PRO 99 Cb 0.00 -3.23 -0.07 0.00 -0.04 0.00 0.00 33.50 30.16 1wez n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wez s SER 100 N 4.45 -0.73 -0.08 3.54 0.15 -1.26 -5.09 113.70 114.68 1wez s SER 100 Ca 0.55 1.39 -0.08 0.00 0.70 0.00 0.00 55.95 58.50 1wez s SER 100 Cb 0.11 1.39 -0.03 0.00 -1.71 0.00 0.00 66.02 65.79 1wez s SER 100 CO 0.04 -0.24 -0.15 -0.24 1.20 0.00 0.00 173.24 173.85 1wez n SER 101 N 2.84 0.87 0.00 5.45 2.88 -1.26 -5.23 113.62 119.17 1wez n SER 101 Ca -0.14 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wez n SER 101 Cb 0.56 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1wez n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42