#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wez n SER 2 N 0.00 -1.13 -4.71 1.61 7.64 -1.26 -5.08 113.62 110.70 1wez n SER 2 Ca 0.00 0.53 -0.59 0.00 1.01 0.00 0.00 58.87 59.82 1wez n SER 2 Cb 0.00 1.22 -0.08 0.00 -1.01 0.00 0.00 64.21 64.34 1wez n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wez n SER 3 N -3.34 2.05 0.00 6.43 2.88 -1.26 -3.95 113.62 116.44 1wez n SER 3 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1wez n SER 3 Cb 0.00 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 1wez n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wez n GLY 4 N 3.97 0.89 3.62 0.46 0.00 -1.26 -5.09 105.19 107.80 1wez n GLY 4 Ca 0.27 -0.44 -0.65 0.00 0.00 0.00 0.00 46.02 45.19 1wez n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wez n SER 5 N 0.00 0.96 -3.19 1.61 2.88 -1.25 -4.90 113.62 109.73 1wez n SER 5 Ca 0.00 1.16 0.04 0.00 -1.33 0.00 0.00 58.87 58.74 1wez n SER 5 Cb 0.00 -0.87 -0.02 0.00 -0.75 0.00 0.00 64.21 62.57 1wez n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wez s SER 6 N 2.39 -0.72 0.00 -3.46 0.01 -1.26 -5.09 113.70 105.58 1wez s SER 6 Ca 1.00 0.52 0.00 0.00 1.31 0.00 0.00 55.95 58.78 1wez s SER 6 Cb -1.43 1.63 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1wez s SER 6 CO 0.76 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.88 1wez n GLY 7 N 5.40 1.42 1.46 3.44 0.00 -1.26 -5.08 105.19 110.57 1wez n GLY 7 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1wez n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wez n SER 8 N 0.00 0.00 0.01 1.61 3.41 -1.26 -5.08 113.62 112.31 1wez n SER 8 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wez n SER 8 Cb 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1wez n SER 8 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wez n SER 9 N -2.23 -0.13 -4.57 4.04 2.88 -1.26 -5.16 113.62 107.19 1wez n SER 9 Ca 0.00 0.04 -0.26 0.00 -1.33 0.00 0.00 58.87 57.31 1wez n SER 9 Cb 0.00 0.40 -0.11 0.00 -0.75 0.00 0.00 64.21 63.76 1wez n SER 9 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1wez s PHE 10 N -1.05 2.33 0.00 0.66 5.36 -1.26 -5.13 117.98 118.88 1wez s PHE 10 Ca 0.00 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.20 1wez s PHE 10 Cb 0.00 -1.63 0.00 0.00 -0.34 0.00 0.00 43.02 41.05 1wez s PHE 10 CO 0.00 0.31 0.00 0.94 -1.46 0.00 0.00 175.22 175.01 1wez n GLN 11 N -0.91 0.00 -1.44 10.12 7.27 -1.26 -5.04 117.38 126.12 1wez n GLN 11 Ca -0.05 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.68 1wez n GLN 11 Cb 0.67 0.00 0.09 0.00 2.41 0.00 0.00 30.24 33.41 1wez n GLN 11 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1wez s SER 12 N 0.00 4.30 0.23 1.69 1.04 -1.26 -4.96 113.70 114.74 1wez s SER 12 Ca 0.00 2.26 0.00 0.00 0.48 0.00 0.00 55.95 58.69 1wez s SER 12 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1wez s SER 12 CO 0.00 -2.19 0.00 0.35 0.98 0.00 0.00 173.24 172.38 1wez n THR 13 N -2.78 0.10 0.00 2.02 -2.24 -1.26 -5.05 114.28 105.07 1wez n THR 13 Ca 0.13 0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 1wez n THR 13 Cb 0.51 -0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1wez n THR 13 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wez n THR 14 N -3.31 0.49 0.00 4.28 -2.24 -1.26 -5.08 114.28 107.16 1wez n THR 14 Ca 0.00 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1wez n THR 14 Cb 0.00 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 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 2.93 3.86 3.59 3.38 0.00 -1.26 -4.94 105.19 112.75 1wez n GLY 15 Ca -0.01 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 2.90 0.11 1.61 3.76 -1.26 -3.57 115.29 118.84 1wez s HIS 16 Ca 0.00 0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 55.51 1wez s HIS 16 Cb 0.00 -4.15 -0.03 0.00 1.11 0.00 0.00 32.58 29.51 1wez s HIS 16 CO 0.00 -1.14 0.07 0.00 -0.85 0.00 0.00 174.74 172.82 1wez s VAL 18 N -3.99 0.69 0.13 0.00 1.01 0.69 -1.80 120.40 117.13 1wez s VAL 18 Ca 0.17 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 1wez s VAL 18 Cb 0.07 -0.77 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 1wez s VAL 18 CO -0.02 0.31 0.71 -2.28 0.00 0.00 0.00 175.10 173.81 1wez s HIS 19 N 1.72 3.86 -0.06 5.22 2.46 -1.04 0.18 115.29 127.64 1wez s HIS 19 Ca 0.03 1.51 0.06 0.00 0.47 0.00 0.00 55.06 57.12 1wez s HIS 19 Cb -0.13 -2.69 -0.01 0.00 -0.13 0.00 0.00 32.58 29.63 1wez s HIS 19 CO -0.06 0.52 -0.24 -1.64 -2.47 0.00 0.00 174.74 170.85 1wez s MET 20 N -1.05 2.62 0.06 2.88 -1.94 0.57 -1.87 119.30 120.56 1wez s MET 20 Ca 0.34 -0.89 -0.04 0.00 -1.71 0.00 0.00 55.69 53.39 1wez s MET 20 Cb -0.22 -2.20 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 1wez s MET 20 CO 0.24 0.37 0.06 1.03 -0.01 0.00 0.00 175.02 176.71 1wez s ARG 21 N -0.13 0.65 -1.21 2.03 0.52 0.89 -0.79 118.95 120.91 1wez s ARG 21 Ca -0.04 -1.00 -0.01 0.00 -0.52 0.00 0.00 55.73 54.16 1wez s ARG 21 Cb -0.14 0.25 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 1wez s ARG 21 CO 0.04 -0.16 0.94 0.41 0.02 0.00 0.00 175.30 176.55 1wez n GLY 22 N 0.31 -0.41 3.91 -3.53 0.00 0.27 0.20 105.19 105.95 1wez n GLY 22 Ca -0.16 0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -6.35 4.12 0.67 0.99 1.02 0.15 -2.82 118.68 116.46 1wez s LEU 23 Ca 0.04 0.61 -0.12 0.00 0.02 0.00 0.00 54.13 54.67 1wez s LEU 23 Cb -0.01 -3.40 -0.00 0.00 0.02 0.00 0.00 46.19 42.80 1wez s LEU 23 CO 0.75 -0.14 1.06 -2.16 0.02 0.00 0.00 176.35 175.88 1wez s PRO 24 N -3.44 3.05 0.02 1.29 0.04 -1.26 -4.20 135.00 130.49 1wez s PRO 24 Ca 0.42 1.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.21 1wez s PRO 24 Cb -0.11 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.26 1wez s PRO 24 CO 0.29 -1.01 1.30 1.88 0.04 0.00 0.00 177.00 179.50 1wez h TYR 25 N -0.44 -0.37 0.00 0.56 0.05 -1.98 -2.62 116.97 112.18 1wez h TYR 25 Ca -0.44 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1wez h TYR 25 Cb 1.21 0.12 0.00 0.00 1.01 0.00 0.00 36.73 39.07 1wez h TYR 25 CO 0.61 -0.06 0.10 0.00 -1.05 0.00 0.00 178.16 177.76 1wez h ARG 26 N -0.70 0.00 -6.20 4.88 3.08 -2.02 -3.43 114.38 109.98 1wez h ARG 26 Ca -0.04 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.30 1wez h ARG 26 Cb 0.48 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.59 1wez h ARG 26 CO 0.07 0.00 0.35 0.00 -1.07 0.00 0.00 179.97 179.32 1wez n ALA 27 N -1.98 -1.65 -2.23 0.04 0.00 -0.99 -4.95 120.51 108.76 1wez n ALA 27 Ca -0.02 0.54 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 1wez n ALA 27 Cb 0.16 -1.99 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 1wez n ALA 27 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wez s THR 28 N 0.34 0.79 0.48 0.00 -1.32 -1.26 -4.98 115.64 109.69 1wez s THR 28 Ca 0.86 -1.99 0.19 0.00 -1.21 0.00 0.00 61.69 59.54 1wez s THR 28 Cb -1.03 -1.96 0.35 0.00 -1.51 0.00 0.00 72.50 68.35 1wez s THR 28 CO 0.49 -0.63 2.00 -0.33 -2.21 0.00 0.00 174.62 173.95 1wez h GLU 29 N 2.77 0.20 0.00 7.08 5.08 -1.96 0.50 114.58 128.25 1wez h GLU 29 Ca -0.36 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 1wez h GLU 29 Cb 1.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1wez h GLU 29 CO 0.63 0.13 -0.22 -0.91 -1.00 0.00 0.00 179.01 177.64 1wez h ASN 30 N 0.20 0.00 0.00 1.42 4.21 -1.98 -1.67 115.58 117.76 1wez h ASN 30 Ca 0.24 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.71 1wez h ASN 30 Cb 0.69 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 1wez h ASN 30 CO -0.04 0.22 -0.34 0.44 -1.29 0.00 0.00 177.43 176.43 1wez h ASP 31 N 0.00 0.00 -0.95 5.81 3.32 -0.54 -3.18 116.42 120.88 1wez h ASP 31 Ca -0.00 -0.34 0.28 0.00 0.02 0.00 0.00 57.03 56.99 1wez h ASP 31 Cb 0.41 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1wez h ASP 31 CO 0.03 0.85 0.92 0.40 -1.72 0.00 0.00 179.24 179.72 1wez h ILE 32 N -1.00 0.20 -0.01 0.35 2.04 -0.75 1.92 117.51 120.25 1wez h ILE 32 Ca -0.06 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.54 1wez h ILE 32 Cb 0.59 0.29 0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1wez h ILE 32 CO -0.04 0.00 -1.01 1.88 0.00 0.00 0.00 178.15 178.98 1wez h TYR 33 N 0.00 1.04 0.00 1.37 0.05 -1.39 -3.06 116.97 114.98 1wez h TYR 33 Ca 0.45 -0.56 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1wez h TYR 33 Cb 2.28 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 39.90 1wez h TYR 33 CO 0.00 1.39 -0.48 -0.91 -1.05 0.00 0.00 178.16 177.11 1wez h ASN 34 N 0.38 0.00 1.06 3.88 2.35 0.20 -2.44 115.58 121.01 1wez h ASN 34 Ca -0.12 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1wez h ASN 34 Cb 1.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.04 1wez h ASN 34 CO 0.20 0.01 0.00 0.33 -1.65 0.00 0.00 177.43 176.32 1wez n PHE 35 N -2.74 0.69 0.12 1.19 7.35 0.53 -3.04 117.46 121.57 1wez n PHE 35 Ca 0.02 0.23 0.02 0.00 -0.76 0.00 0.00 57.45 56.96 1wez n PHE 35 Cb 0.52 -0.88 -0.02 0.00 0.35 0.00 0.00 39.48 39.45 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 -2.09 0.00 -1.41 -5.13 3.72 -1.16 -4.74 117.46 106.65 1wez n PHE 36 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1wez n PHE 36 Cb 0.32 -0.02 0.08 0.00 -0.94 0.00 0.00 39.48 38.93 1wez n PHE 36 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1wez s SER 37 N -1.61 4.48 -0.23 4.37 0.01 -0.92 -3.72 113.70 116.08 1wez s SER 37 Ca 0.01 2.03 -0.29 0.00 1.31 0.00 0.00 55.95 59.00 1wez s SER 37 Cb 0.03 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 1wez s SER 37 CO 0.15 -2.05 1.31 -2.16 0.41 0.00 0.00 173.24 170.90 1wez s PRO 38 N -4.39 4.05 0.21 12.44 0.04 -1.26 -4.99 135.00 141.10 1wez s PRO 38 Ca 0.66 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.96 1wez s PRO 38 Cb -0.21 -3.84 0.07 0.00 0.04 0.00 0.00 34.50 30.55 1wez s PRO 38 CO 0.49 -0.94 0.96 -0.51 0.04 0.00 0.00 177.00 177.04 1wez s LEU 39 N 4.04 -0.07 -0.33 -3.56 1.43 -1.24 -5.01 118.68 113.93 1wez s LEU 39 Ca 0.57 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1wez s LEU 39 Cb -0.20 2.24 0.12 0.00 0.03 0.00 0.00 46.19 48.39 1wez s LEU 39 CO 0.20 -1.07 0.18 0.21 0.23 0.00 0.00 176.35 176.09 1wez s ASN 40 N -3.17 3.29 -0.13 2.29 2.47 -1.26 -5.04 114.94 113.38 1wez s ASN 40 Ca 0.17 -1.86 -0.29 0.00 0.42 0.00 0.00 52.86 51.30 1wez s ASN 40 Cb -0.03 -0.45 -0.02 0.00 -1.45 0.00 0.00 41.25 39.30 1wez s ASN 40 CO 0.05 -0.36 1.26 -2.16 -3.72 0.00 0.00 177.10 172.17 1wez s PRO 41 N 1.43 4.26 0.31 0.43 0.04 -1.26 -4.81 135.00 135.39 1wez s PRO 41 Ca 0.14 1.68 0.07 0.00 0.04 0.00 0.00 61.00 62.93 1wez s PRO 41 Cb -0.20 -3.72 0.87 0.00 0.04 0.00 0.00 34.50 31.49 1wez s PRO 41 CO -0.14 -0.65 1.63 0.52 0.04 0.00 0.00 177.00 178.40 1wez h MET 42 N 8.05 0.18 -1.83 4.56 2.86 0.29 -3.42 114.93 125.61 1wez h MET 42 Ca -0.29 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1wez h MET 42 Cb 1.12 -0.04 -0.23 0.00 0.06 0.00 0.00 31.60 32.51 1wez h MET 42 CO 0.95 0.12 0.28 1.03 1.06 0.00 0.00 176.91 180.35 1wez s ARG 43 N -5.84 0.74 -0.46 1.72 0.52 -1.25 -5.00 118.95 109.39 1wez s ARG 43 Ca -0.11 0.69 -0.08 0.00 -0.52 0.00 0.00 55.73 55.70 1wez s ARG 43 Cb 0.28 0.36 0.12 0.00 0.52 0.00 0.00 34.95 36.23 1wez s ARG 43 CO 0.78 -0.13 0.31 0.08 0.02 0.00 0.00 175.30 176.36 1wez s VAL 44 N -0.04 4.02 -0.28 3.52 1.01 -1.26 -3.08 120.40 124.29 1wez s VAL 44 Ca -0.01 -1.83 -0.29 0.00 0.00 0.00 0.00 61.98 59.85 1wez s VAL 44 Cb -0.04 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1wez s VAL 44 CO 0.00 -0.75 1.25 -2.28 0.00 0.00 0.00 175.10 173.32 1wez s HIS 45 N 1.32 2.82 -0.30 5.22 2.46 0.53 -4.92 115.29 122.42 1wez s HIS 45 Ca 0.06 0.97 -0.09 0.00 0.47 0.00 0.00 55.06 56.47 1wez s HIS 45 Cb -0.25 -3.78 -0.01 0.00 -0.13 0.00 0.00 32.58 28.40 1wez s HIS 45 CO -0.01 -1.50 0.13 0.42 -2.47 0.00 0.00 174.74 171.30 1wez s ILE 46 N 4.06 4.46 -0.30 0.89 -1.09 -1.26 -1.53 121.20 126.43 1wez s ILE 46 Ca 0.54 -0.42 -0.19 0.00 -2.23 0.00 0.00 60.65 58.34 1wez s ILE 46 Cb -0.17 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1wez s ILE 46 CO 0.20 0.12 0.59 -0.70 -1.23 0.00 0.00 174.94 173.91 1wez s GLU 47 N 1.60 3.92 -0.21 2.79 2.12 -1.23 -5.04 118.70 122.64 1wez s GLU 47 Ca 0.05 0.26 -0.09 0.00 0.36 0.00 0.00 54.97 55.55 1wez s GLU 47 Cb -0.17 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1wez s GLU 47 CO 0.05 -0.52 0.11 0.42 -0.54 0.00 0.00 175.26 174.78 1wez s ILE 48 N 2.51 5.05 0.00 -3.70 -1.09 -1.26 -2.38 121.20 120.34 1wez s ILE 48 Ca 0.24 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 1wez s ILE 48 Cb -0.15 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1wez s ILE 48 CO 0.11 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 1wez n GLY 49 N 3.96 -0.74 2.04 6.18 0.00 0.14 -4.09 105.19 112.68 1wez n GLY 49 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 1.36 -4.30 1.61 -0.04 -1.25 -4.63 135.00 127.75 1wez n PRO 50 Ca 0.00 -0.61 -0.36 0.00 -0.04 0.00 0.00 63.50 62.48 1wez n PRO 50 Cb 0.00 -1.74 -0.08 0.00 -0.04 0.00 0.00 33.50 31.64 1wez n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wez n ASP 51 N 2.44 -0.75 0.08 3.54 8.00 -1.26 -4.41 116.55 124.19 1wez n ASP 51 Ca 0.26 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1wez n ASP 51 Cb 0.63 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wez n GLY 52 N -1.56 -1.08 3.49 0.44 0.00 -1.26 -5.13 105.19 100.09 1wez n GLY 52 Ca -0.04 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1wez n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wez s ARG 53 N -2.00 2.50 1.28 1.61 1.81 -1.26 -4.96 118.95 117.93 1wez s ARG 53 Ca 0.00 -0.70 -0.19 0.00 -1.72 0.00 0.00 55.73 53.12 1wez s ARG 53 Cb 0.00 -2.39 0.29 0.00 -0.45 0.00 0.00 34.95 32.40 1wez s ARG 53 CO 0.00 0.62 0.69 1.55 -0.68 0.00 0.00 175.30 177.48 1wez n VAL 54 N 2.20 0.00 0.12 3.52 3.14 -1.26 0.23 118.33 126.28 1wez n VAL 54 Ca -0.17 -0.14 0.01 0.00 -2.96 0.00 0.00 64.34 61.08 1wez n VAL 54 Cb 0.52 -0.84 -0.01 0.00 -1.06 0.00 0.00 33.84 32.45 1wez n VAL 54 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1wez n THR 55 N -5.23 0.00 -0.10 1.55 -2.24 -1.00 -4.11 114.28 103.15 1wez n THR 55 Ca 0.08 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1wez n THR 55 Cb 0.53 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 1.07 0.94 3.32 3.38 0.00 -1.26 -4.78 105.19 107.87 1wez n GLY 56 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.38 1.24 -0.10 1.61 2.02 -1.26 0.97 118.70 122.81 1wez s GLU 57 Ca 0.00 -1.30 -0.27 0.00 0.02 0.00 0.00 54.97 53.42 1wez s GLU 57 Cb 0.00 -1.44 0.06 0.00 0.10 0.00 0.00 34.13 32.85 1wez s GLU 57 CO 0.00 0.32 0.62 0.00 0.02 0.00 0.00 175.26 176.22 1wez s ALA 58 N -1.55 -1.60 -0.17 5.21 0.00 0.03 -3.47 121.76 120.21 1wez s ALA 58 Ca 0.12 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1wez s ALA 58 Cb -0.08 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1wez s ALA 58 CO 0.06 -0.34 -0.17 0.34 0.00 0.00 0.00 175.76 175.65 1wez s ASP 59 N -0.82 3.45 0.06 0.00 2.15 -0.58 0.21 116.67 121.14 1wez s ASP 59 Ca -0.09 -0.55 0.04 0.00 0.43 0.00 0.00 52.55 52.38 1wez s ASP 59 Cb -0.02 -1.53 -0.04 0.00 -0.30 0.00 0.00 42.92 41.03 1wez s ASP 59 CO 0.07 0.04 -0.00 -0.69 -0.17 0.00 0.00 175.17 174.42 1wez s VAL 60 N 1.05 4.06 -0.02 1.11 1.01 0.13 -0.34 120.40 127.39 1wez s VAL 60 Ca -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1wez s VAL 60 Cb -0.14 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1wez s VAL 60 CO -0.05 0.21 -0.09 -0.70 0.00 0.00 0.00 175.10 174.48 1wez s GLU 61 N -2.04 0.85 -0.02 2.72 2.56 -1.18 -0.22 118.70 121.38 1wez s GLU 61 Ca 0.24 -0.29 0.03 0.00 0.00 0.00 0.00 54.97 54.95 1wez s GLU 61 Cb -0.12 -0.81 -0.00 0.00 2.00 0.00 0.00 34.13 35.20 1wez s GLU 61 CO 0.15 0.13 -0.11 -0.06 -0.56 0.00 0.00 175.26 174.81 1wez s PHE 62 N 0.10 1.05 0.12 5.30 0.08 -0.72 0.10 117.98 124.02 1wez s PHE 62 Ca -0.01 -0.24 -0.28 0.00 0.12 0.00 0.00 56.93 56.52 1wez s PHE 62 Cb -0.07 -0.71 -0.06 0.00 -0.57 0.00 0.00 43.02 41.61 1wez s PHE 62 CO 0.00 -0.07 1.61 0.00 -0.10 0.00 0.00 175.22 176.66 1wez h ALA 63 N 6.15 -0.51 -5.22 5.36 0.00 -1.87 -3.39 119.26 119.78 1wez h ALA 63 Ca -0.33 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 1wez h ALA 63 Cb 1.17 0.62 0.01 0.00 0.00 0.00 0.00 17.79 19.59 1wez h ALA 63 CO 0.49 -0.86 -0.04 0.25 0.00 0.00 0.00 179.25 179.08 1wez n THR 64 N -5.42 0.00 -0.00 0.00 -2.24 -1.26 -4.79 114.28 100.56 1wez n THR 64 Ca -0.05 -0.94 -0.22 0.00 -2.27 0.00 0.00 64.05 60.57 1wez n THR 64 Cb 0.34 -0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.09 0.43 -0.49 4.78 2.76 -1.94 -3.36 115.15 117.41 1wez h HIS 65 Ca -0.13 -0.31 0.10 0.00 -2.20 0.00 0.00 60.37 57.82 1wez h HIS 65 Cb 0.60 -0.02 -0.10 0.00 1.55 0.00 0.00 27.41 29.44 1wez h HIS 65 CO 0.00 1.67 -0.28 0.93 -1.30 0.00 0.00 177.93 178.95 1wez h GLU 66 N -0.19 -0.16 -0.07 5.26 3.07 -1.97 1.48 114.58 121.99 1wez h GLU 66 Ca -0.37 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.52 1wez h GLU 66 Cb 1.86 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.80 1wez h GLU 66 CO 0.05 -0.11 0.37 -0.44 -1.40 0.00 0.00 179.01 177.48 1wez h ASP 67 N -0.16 0.00 0.01 1.42 5.19 -1.97 0.47 116.42 121.38 1wez h ASP 67 Ca 0.22 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1wez h ASP 67 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1wez h ASP 67 CO -0.59 0.00 -0.00 0.00 -3.12 0.00 0.00 179.24 175.53 1wez h ALA 68 N 1.34 -0.01 -0.90 3.45 0.00 0.18 -2.82 119.26 120.50 1wez h ALA 68 Ca 0.03 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1wez h ALA 68 Cb 0.77 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 1wez h ALA 68 CO -0.00 -0.01 0.49 0.28 0.00 0.00 0.00 179.25 180.00 1wez h VAL 69 N -0.61 0.69 -0.90 0.00 2.07 -0.19 0.61 116.25 117.91 1wez h VAL 69 Ca -0.00 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1wez h VAL 69 Cb 0.01 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 1wez h VAL 69 CO 0.00 0.12 0.59 0.00 0.02 0.00 0.00 177.57 178.30 1wez h ALA 70 N 1.61 1.47 -0.03 1.67 0.00 -0.23 0.17 119.26 123.92 1wez h ALA 70 Ca 0.51 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.23 1wez h ALA 70 Cb 0.78 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wez h ALA 70 CO -0.39 0.42 -0.70 0.00 0.00 0.00 0.00 179.25 178.58 1wez h ALA 71 N 1.49 0.76 0.00 0.00 0.00 0.27 -2.79 119.26 118.99 1wez h ALA 71 Ca 0.37 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wez h ALA 71 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wez h ALA 71 CO -0.13 0.82 0.00 0.52 0.00 0.00 0.00 179.25 180.46 1wez h MET 72 N 0.11 0.00 -0.16 0.00 2.86 0.16 -1.88 114.93 116.02 1wez h MET 72 Ca -0.02 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1wez h MET 72 Cb 1.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1wez h MET 72 CO 0.10 0.00 0.17 0.00 1.06 0.00 0.00 176.91 178.25 1wez h ALA 73 N 2.01 1.80 -0.75 6.32 0.00 -1.05 0.10 119.26 127.69 1wez h ALA 73 Ca 0.00 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1wez h ALA 73 Cb 0.26 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.84 1wez h ALA 73 CO 0.00 -0.26 0.66 1.63 0.00 0.00 0.00 179.25 181.28 1wez n LYS 74 N -3.86 2.26 -3.19 0.00 4.76 -0.71 -4.92 118.16 112.51 1wez n LYS 74 Ca 0.01 -2.48 -0.39 0.00 -2.87 0.00 0.00 58.31 52.59 1wez n LYS 74 Cb 0.29 -1.97 -0.06 0.00 -1.84 0.00 0.00 35.03 31.45 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 -0.89 7.11 0.00 4.39 1.47 0.35 -4.14 116.67 124.96 1wez s ASP 75 Ca 0.49 1.32 0.00 0.00 1.18 0.00 0.00 52.55 55.54 1wez s ASP 75 Cb 0.38 -2.39 0.00 0.00 -0.34 0.00 0.00 42.92 40.57 1wez s ASP 75 CO -0.00 0.21 0.00 0.29 0.68 0.00 0.00 175.17 176.34 1wez n LYS 76 N 2.00 0.00 -1.50 2.11 4.76 -1.14 -4.93 118.16 119.45 1wez n LYS 76 Ca -0.08 0.00 -0.59 0.00 -2.87 0.00 0.00 58.31 54.77 1wez n LYS 76 Cb 0.50 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.61 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wez n ALA 77 N 0.00 -1.87 -2.22 7.82 0.00 -1.26 -3.68 120.51 119.30 1wez n ALA 77 Ca 0.00 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 1wez n ALA 77 Cb 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 1wez n ALA 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wez s ASN 78 N 1.87 6.06 0.55 0.00 2.20 -1.26 -4.36 114.94 120.01 1wez s ASN 78 Ca 0.90 0.82 0.36 0.00 -0.94 0.00 0.00 52.86 54.00 1wez s ASN 78 Cb -1.28 -2.54 1.53 0.00 -2.00 0.00 0.00 41.25 36.96 1wez s ASN 78 CO 0.67 -1.66 1.78 -0.03 -2.94 0.00 0.00 177.10 174.92 1wez h MET 79 N 11.83 0.00 0.00 3.55 1.85 -1.85 -3.40 114.93 126.91 1wez h MET 79 Ca -0.29 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 1wez h MET 79 Cb 1.13 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.16 1wez h MET 79 CO 1.10 0.00 0.00 1.04 -0.40 0.00 0.00 176.91 178.65 1wez n GLN 80 N -4.09 0.00 -0.16 0.39 6.02 -1.26 -5.00 117.38 113.28 1wez n GLN 80 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1wez n GLN 80 Cb 1.24 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.50 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 -0.91 0.00 -4.57 1.08 1.44 -1.26 -5.07 115.22 105.93 1wez n HIS 81 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1wez n HIS 81 Cb 0.00 -0.01 -0.15 0.00 0.12 0.00 0.00 29.99 29.95 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 1.08 -0.62 -1.40 1.81 -1.26 -5.06 118.95 113.50 1wez s ARG 82 Ca 0.00 -0.55 -0.26 0.00 -1.72 0.00 0.00 55.73 53.19 1wez s ARG 82 Cb 0.00 -1.06 0.04 0.00 -0.45 0.00 0.00 34.95 33.48 1wez s ARG 82 CO 0.00 0.28 1.13 0.71 -0.68 0.00 0.00 175.30 176.75 1wez s TYR 83 N -0.44 2.57 0.06 -0.53 2.02 -1.26 -3.49 117.35 116.28 1wez s TYR 83 Ca 0.05 0.09 -0.20 0.00 -0.37 0.00 0.00 57.07 56.63 1wez s TYR 83 Cb -0.06 -4.42 -0.06 0.00 -0.40 0.00 0.00 41.96 37.02 1wez s TYR 83 CO -0.00 -1.67 0.60 0.14 -1.57 0.00 0.00 175.55 173.05 1wez s VAL 84 N 4.82 4.75 -0.06 0.71 -7.23 -1.13 -4.70 120.40 117.56 1wez s VAL 84 Ca 0.36 1.27 -0.16 0.00 -1.81 0.00 0.00 61.98 61.64 1wez s VAL 84 Cb -0.10 -3.93 -0.05 0.00 0.56 0.00 0.00 36.38 32.86 1wez s VAL 84 CO 0.20 0.52 0.41 -1.61 -0.31 0.00 0.00 175.10 174.31 1wez s GLU 85 N -0.88 4.11 -0.06 4.82 0.41 0.54 -2.89 118.70 124.74 1wez s GLU 85 Ca 0.30 0.38 0.05 0.00 -0.41 0.00 0.00 54.97 55.29 1wez s GLU 85 Cb -0.20 -3.32 -0.00 0.00 -1.78 0.00 0.00 34.13 28.83 1wez s GLU 85 CO 0.19 0.45 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.70 1wez s LEU 86 N -0.30 1.98 -0.25 1.80 1.43 -1.26 -0.08 118.68 122.00 1wez s LEU 86 Ca 0.23 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1wez s LEU 86 Cb -0.16 -1.19 0.05 0.00 0.03 0.00 0.00 46.19 44.93 1wez s LEU 86 CO 0.11 0.17 -0.12 -0.36 0.23 0.00 0.00 176.35 176.39 1wez s PHE 87 N 0.10 3.15 -0.33 0.29 0.40 -0.78 -4.94 117.98 115.87 1wez s PHE 87 Ca -0.08 -2.20 -0.28 0.00 -0.60 0.00 0.00 56.93 53.76 1wez s PHE 87 Cb -0.14 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 1wez s PHE 87 CO 0.04 -0.86 1.91 -1.17 0.70 0.00 0.00 175.22 175.84 1wez s LEU 88 N 1.14 3.47 -0.28 -0.37 2.96 -1.26 -2.50 118.68 121.85 1wez s LEU 88 Ca -0.07 1.36 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1wez s LEU 88 Cb -0.19 -3.42 0.08 0.00 0.50 0.00 0.00 46.19 43.16 1wez s LEU 88 CO -0.06 -1.85 -0.03 0.20 -1.32 0.00 0.00 176.35 173.30 1wez s ASN 89 N 6.90 4.30 0.20 3.68 0.01 -0.75 -5.03 114.94 124.26 1wez s ASN 89 Ca 0.84 -1.56 -0.04 0.00 -0.71 0.00 0.00 52.86 51.39 1wez s ASN 89 Cb -0.24 -1.38 -0.03 0.00 0.41 0.00 0.00 41.25 40.01 1wez s ASN 89 CO 0.33 -0.28 0.20 -0.55 -1.51 0.00 0.00 177.10 175.29 1wez s SER 90 N 1.19 0.11 -0.23 -1.22 0.15 -1.25 0.86 113.70 113.31 1wez s SER 90 Ca -0.01 -1.26 -0.03 0.00 0.70 0.00 0.00 55.95 55.35 1wez s SER 90 Cb -0.19 0.42 -0.13 0.00 -1.71 0.00 0.00 66.02 64.41 1wez s SER 90 CO -0.08 -0.90 -0.24 0.41 1.20 0.00 0.00 173.24 173.63 1wez n THR 91 N -0.28 1.30 0.00 6.45 -1.04 -1.23 -4.91 114.28 114.57 1wez n THR 91 Ca 0.00 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1wez n THR 91 Cb 0.65 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 1wez n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wez n ALA 92 N -3.48 0.00 0.00 2.41 0.00 -1.26 -4.49 120.51 113.68 1wez n ALA 92 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1wez n ALA 92 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 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 0.00 -0.10 3.62 0.00 0.00 -1.26 -5.12 105.19 102.33 1wez n GLY 93 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1wez n GLY 93 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wez s THR 94 N 0.00 0.00 -0.04 2.61 -1.32 -1.26 -5.18 115.64 110.45 1wez s THR 94 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 1wez s THR 94 Cb 0.00 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.10 1wez s THR 94 CO 0.00 0.00 1.09 -0.55 -2.21 0.00 0.00 174.62 172.95 1wez s SER 95 N -0.02 -0.19 0.00 8.08 0.15 -1.26 -5.18 113.70 115.28 1wez s SER 95 Ca 0.01 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1wez s SER 95 Cb -0.04 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1wez s SER 95 CO -0.03 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1wez n GLY 96 N -0.29 2.14 3.37 9.45 0.00 -1.26 -5.18 105.19 113.42 1wez n GLY 96 Ca -0.05 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 1wez n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wez s SER 97 N 0.00 -0.42 1.08 1.61 0.15 -1.26 -5.17 113.70 109.69 1wez s SER 97 Ca 0.00 0.47 -0.17 0.00 0.70 0.00 0.00 55.95 56.95 1wez s SER 97 Cb 0.00 0.51 0.13 0.00 -1.71 0.00 0.00 66.02 64.95 1wez s SER 97 CO 0.00 -0.47 0.09 0.61 1.20 0.00 0.00 173.24 174.68 1wez n GLY 98 N 1.38 -2.58 2.60 9.45 0.00 -1.26 -4.70 105.19 110.09 1wez n GLY 98 Ca -0.19 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.83 2.61 -1.45 1.61 -0.04 -1.26 -4.84 135.00 129.79 1wez n PRO 99 Ca 0.03 -1.89 0.17 0.00 -0.04 0.00 0.00 63.50 61.78 1wez n PRO 99 Cb 0.50 -2.74 -0.09 0.00 -0.04 0.00 0.00 33.50 31.13 1wez n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wez n SER 100 N 4.73 -7.84 0.00 3.54 2.88 -1.26 -5.04 113.62 110.63 1wez n SER 100 Ca 0.57 1.42 0.00 0.00 -1.33 0.00 0.00 58.87 59.53 1wez n SER 100 Cb 0.23 -4.97 0.00 0.00 -0.75 0.00 0.00 64.21 58.72 1wez n SER 100 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wez n SER 101 N -4.36 -0.03 -0.36 -3.46 2.88 -1.26 -5.23 113.62 101.79 1wez n SER 101 Ca -0.09 0.42 0.05 0.00 -1.33 0.00 0.00 58.87 57.91 1wez n SER 101 Cb 0.68 0.44 0.04 0.00 -0.75 0.00 0.00 64.21 64.62 1wez n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42