#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 3.21 0.61 1.61 1.04 -1.26 -5.09 113.70 113.81 1wez s SER 2 Ca 0.00 -2.21 0.00 0.00 0.48 0.00 0.00 55.95 54.22 1wez s SER 2 Cb 0.00 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.56 1wez s SER 2 CO 0.00 -0.31 0.00 -0.24 0.98 0.00 0.00 173.24 173.67 1wez n SER 3 N 4.04 -8.01 -2.07 7.02 2.88 -1.26 -4.98 113.62 111.24 1wez n SER 3 Ca 0.09 1.40 -0.01 0.00 -1.33 0.00 0.00 58.87 59.03 1wez n SER 3 Cb 0.37 -4.94 0.00 0.00 -0.75 0.00 0.00 64.21 58.89 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 -4.35 -0.70 3.91 0.46 0.00 -1.26 -5.05 105.19 98.21 1wez n GLY 4 Ca -0.09 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1wez n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wez s SER 5 N -2.24 6.45 -0.02 1.61 0.15 -1.26 -5.02 113.70 113.37 1wez s SER 5 Ca 0.02 0.60 -0.01 0.00 0.70 0.00 0.00 55.95 57.25 1wez s SER 5 Cb -0.00 -2.09 -0.01 0.00 -1.71 0.00 0.00 66.02 62.20 1wez s SER 5 CO 0.28 -0.09 -0.03 -1.20 1.20 0.00 0.00 173.24 173.40 1wez n SER 6 N -0.58 0.21 0.00 5.45 7.64 -1.26 -5.01 113.62 120.07 1wez n SER 6 Ca -0.03 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1wez n SER 6 Cb 0.53 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1wez n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wez n GLY 7 N 2.87 0.74 5.04 0.23 0.00 -1.26 -4.83 105.19 107.98 1wez n GLY 7 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wez n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wez n SER 8 N 1.84 0.00 -4.88 1.61 7.64 -1.26 -4.58 113.62 113.99 1wez n SER 8 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1wez n SER 8 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1wez n SER 8 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wez s SER 9 N -4.00 5.70 0.52 6.43 1.04 -1.26 -5.08 113.70 117.05 1wez s SER 9 Ca 0.00 -0.22 -0.22 0.00 0.48 0.00 0.00 55.95 55.99 1wez s SER 9 Cb 0.00 -1.41 -0.06 0.00 0.10 0.00 0.00 66.02 64.66 1wez s SER 9 CO 0.00 -0.14 1.30 0.12 0.98 0.00 0.00 173.24 175.49 1wez s PHE 10 N -2.14 2.48 0.05 5.02 2.19 -1.26 -5.03 117.98 119.28 1wez s PHE 10 Ca 0.36 1.42 -0.00 0.00 0.33 0.00 0.00 56.93 59.04 1wez s PHE 10 Cb -0.08 -3.67 -0.04 0.00 -1.31 0.00 0.00 43.02 37.93 1wez s PHE 10 CO 0.27 -2.46 -0.04 1.14 1.83 0.00 0.00 175.22 175.96 1wez s GLN 11 N -2.83 0.57 -0.35 10.12 0.00 -1.26 -5.13 119.66 120.78 1wez s GLN 11 Ca 0.69 -1.09 -0.04 0.00 -0.00 0.00 0.00 55.36 54.92 1wez s GLN 11 Cb -0.37 0.13 0.07 0.00 0.00 0.00 0.00 33.01 32.84 1wez s GLN 11 CO 0.44 -0.08 0.10 -1.54 0.00 0.00 0.00 175.29 174.21 1wez s SER 12 N -2.59 5.15 0.00 12.60 1.04 -1.26 -4.86 113.70 123.78 1wez s SER 12 Ca 0.02 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1wez s SER 12 Cb 0.03 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.35 1wez s SER 12 CO -0.07 -0.38 0.00 0.35 0.98 0.00 0.00 173.24 174.12 1wez n THR 13 N 4.68 0.00 -3.28 2.02 -2.24 -1.26 -5.01 114.28 109.18 1wez n THR 13 Ca -0.10 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 1wez n THR 13 Cb 0.43 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 1wez n THR 13 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wez s THR 14 N -1.84 -0.67 0.37 4.28 -4.23 -1.26 -5.01 115.64 107.28 1wez s THR 14 Ca 0.00 -0.30 0.24 0.00 -1.18 0.00 0.00 61.69 60.45 1wez s THR 14 Cb 0.00 -0.93 0.38 0.00 1.34 0.00 0.00 72.50 73.30 1wez s THR 14 CO 0.00 -0.26 1.49 0.61 -0.54 0.00 0.00 174.62 175.92 1wez n GLY 15 N 5.25 -0.74 3.65 3.99 0.00 -1.26 -3.92 105.19 112.15 1wez n GLY 15 Ca 0.02 0.75 -0.42 0.00 0.00 0.00 0.00 46.02 46.37 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 -5.35 3.31 0.19 1.61 3.76 -1.26 -3.68 115.29 113.87 1wez s HIS 16 Ca -0.08 1.21 -0.03 0.00 -0.15 0.00 0.00 55.06 56.01 1wez s HIS 16 Cb 0.31 -3.15 -0.03 0.00 1.11 0.00 0.00 32.58 30.82 1wez s HIS 16 CO 0.75 -0.45 0.18 0.00 -0.85 0.00 0.00 174.74 174.37 1wez s VAL 18 N -4.10 -0.47 0.46 0.00 1.01 -0.68 -1.33 120.40 115.30 1wez s VAL 18 Ca 0.31 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 1wez s VAL 18 Cb 0.06 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1wez s VAL 18 CO 0.08 -0.19 0.81 -2.28 0.00 0.00 0.00 175.10 173.53 1wez s HIS 19 N 2.44 3.52 0.10 5.22 2.46 -0.81 0.69 115.29 128.91 1wez s HIS 19 Ca 0.10 1.00 0.07 0.00 0.47 0.00 0.00 55.06 56.70 1wez s HIS 19 Cb -0.15 -2.43 -0.03 0.00 -0.13 0.00 0.00 32.58 29.83 1wez s HIS 19 CO -0.15 -0.24 -0.19 -1.64 -2.47 0.00 0.00 174.74 170.05 1wez s MET 20 N -4.33 1.07 -0.11 2.88 -1.94 0.57 -1.05 119.30 116.39 1wez s MET 20 Ca 0.50 -1.14 -0.14 0.00 -1.71 0.00 0.00 55.69 53.20 1wez s MET 20 Cb -0.10 -1.25 0.03 0.00 2.01 0.00 0.00 34.83 35.52 1wez s MET 20 CO 0.39 0.28 0.37 1.03 -0.01 0.00 0.00 175.02 177.08 1wez s ARG 21 N -1.96 0.53 -0.60 2.03 0.52 -0.48 -2.42 118.95 116.56 1wez s ARG 21 Ca 0.05 0.32 -0.00 0.00 -0.52 0.00 0.00 55.73 55.59 1wez s ARG 21 Cb -0.10 0.25 -0.00 0.00 0.52 0.00 0.00 34.95 35.62 1wez s ARG 21 CO 0.04 -0.10 0.50 0.41 0.02 0.00 0.00 175.30 176.17 1wez n GLY 22 N 2.37 0.03 3.89 -3.53 0.00 -0.50 0.22 105.19 107.68 1wez n GLY 22 Ca -0.16 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.19 3.88 0.73 0.99 1.43 0.60 -3.06 118.68 119.06 1wez s LEU 23 Ca 0.01 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 1wez s LEU 23 Cb -0.00 -3.80 0.03 0.00 0.03 0.00 0.00 46.19 42.44 1wez s LEU 23 CO 0.37 -0.36 1.07 -2.16 0.23 0.00 0.00 176.35 175.50 1wez s PRO 24 N -3.92 2.66 0.28 1.29 0.04 -1.26 -4.56 135.00 129.52 1wez s PRO 24 Ca 0.48 0.85 0.04 0.00 0.04 0.00 0.00 61.00 62.41 1wez s PRO 24 Cb -0.10 -1.97 0.41 0.00 0.04 0.00 0.00 34.50 32.88 1wez s PRO 24 CO 0.33 -1.27 1.69 -0.92 0.04 0.00 0.00 177.00 176.87 1wez h TYR 25 N -0.84 0.41 -1.55 0.56 3.20 -1.97 -3.04 116.97 113.75 1wez h TYR 25 Ca -0.45 -0.11 -0.67 0.00 3.14 0.00 0.00 58.73 60.64 1wez h TYR 25 Cb 1.23 -0.09 -0.25 0.00 1.54 0.00 0.00 36.73 39.16 1wez h TYR 25 CO 0.57 0.68 0.86 0.54 -1.64 0.00 0.00 178.16 179.16 1wez n ARG 26 N -4.05 2.61 -5.11 1.82 5.12 -1.26 -4.90 116.66 110.88 1wez n ARG 26 Ca -0.01 -3.12 -0.32 0.00 -1.93 0.00 0.00 57.85 52.47 1wez n ARG 26 Cb 0.46 -2.21 -0.17 0.00 -1.16 0.00 0.00 32.46 29.38 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 -3.41 2.12 0.38 7.54 0.00 -1.15 -4.99 121.76 122.24 1wez s ALA 27 Ca 0.55 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.60 1wez s ALA 27 Cb 0.43 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1wez s ALA 27 CO -0.28 0.24 0.16 -0.08 0.00 0.00 0.00 175.76 175.79 1wez s THR 28 N 0.42 0.46 0.08 0.00 -1.32 -1.26 -4.97 115.64 109.05 1wez s THR 28 Ca -0.17 -2.00 -0.35 0.00 -1.21 0.00 0.00 61.69 57.96 1wez s THR 28 Cb -0.18 -2.40 -0.17 0.00 -1.51 0.00 0.00 72.50 68.24 1wez s THR 28 CO 0.07 0.00 1.59 -0.33 -2.21 0.00 0.00 174.62 173.74 1wez h GLU 29 N 1.91 -0.95 -1.12 7.08 5.08 -1.97 0.54 114.58 125.15 1wez h GLU 29 Ca -0.33 0.07 0.40 0.00 -1.00 0.00 0.00 59.36 58.49 1wez h GLU 29 Cb 1.26 0.22 -0.15 0.00 0.50 0.00 0.00 28.75 30.58 1wez h GLU 29 CO 0.52 -0.64 0.66 -0.97 -1.00 0.00 0.00 179.01 177.59 1wez h ASN 30 N -0.99 0.35 -0.01 1.42 -0.73 -1.99 1.04 115.58 114.68 1wez h ASN 30 Ca -0.07 0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 1wez h ASN 30 Cb 0.83 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.60 1wez h ASN 30 CO 0.02 -0.26 -0.10 0.44 -0.37 0.00 0.00 177.43 177.17 1wez h ASP 31 N 0.13 0.09 -0.03 1.15 3.32 -1.69 -2.75 116.42 116.64 1wez h ASP 31 Ca 0.80 -0.75 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1wez h ASP 31 Cb 2.20 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 41.72 1wez h ASP 31 CO -0.59 0.83 0.17 0.40 -1.72 0.00 0.00 179.24 178.32 1wez h ILE 32 N -0.63 0.08 0.16 0.35 2.04 0.59 1.48 117.51 121.58 1wez h ILE 32 Ca -0.01 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.58 1wez h ILE 32 Cb 0.84 0.84 0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1wez h ILE 32 CO 0.02 0.00 -1.14 1.88 0.00 0.00 0.00 178.15 178.91 1wez h TYR 33 N 0.00 0.83 0.00 1.37 0.05 0.78 -3.11 116.97 116.89 1wez h TYR 33 Ca 0.01 -0.57 -0.12 0.00 0.05 0.00 0.00 58.73 58.11 1wez h TYR 33 Cb 0.34 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1wez h TYR 33 CO 0.00 1.43 -0.81 -0.97 -1.05 0.00 0.00 178.16 176.76 1wez h ASN 34 N -0.00 0.00 0.90 3.88 -0.73 -0.60 -2.63 115.58 116.40 1wez h ASN 34 Ca -0.19 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 57.98 1wez h ASN 34 Cb 1.87 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.46 1wez h ASN 34 CO 0.22 0.48 -0.01 0.15 -0.37 0.00 0.00 177.43 177.90 1wez h PHE 35 N 0.00 0.00 -0.01 0.67 3.57 0.19 -2.52 116.94 118.84 1wez h PHE 35 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1wez h PHE 35 Cb 1.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1wez h PHE 35 CO 0.00 0.01 -0.23 1.19 -2.23 0.00 0.00 178.31 177.05 1wez n PHE 36 N -3.10 0.00 -1.38 0.41 3.72 -1.18 -4.87 117.46 111.06 1wez n PHE 36 Ca 0.00 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.08 1wez n PHE 36 Cb 0.28 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.91 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 -1.43 4.48 -0.23 4.37 0.15 -0.95 -3.73 113.70 116.37 1wez s SER 37 Ca 0.09 1.99 -0.29 0.00 0.70 0.00 0.00 55.95 58.44 1wez s SER 37 Cb 0.09 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1wez s SER 37 CO 0.27 -2.05 1.31 -2.16 1.20 0.00 0.00 173.24 171.81 1wez s PRO 38 N -4.48 4.06 0.18 5.44 0.04 -1.26 -5.01 135.00 133.97 1wez s PRO 38 Ca 0.65 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.94 1wez s PRO 38 Cb -0.20 -3.84 0.06 0.00 0.04 0.00 0.00 34.50 30.56 1wez s PRO 38 CO 0.50 -0.93 0.96 -0.51 0.04 0.00 0.00 177.00 177.05 1wez s LEU 39 N 4.02 -0.14 -0.34 -3.56 1.43 -1.24 -4.99 118.68 113.85 1wez s LEU 39 Ca 0.57 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1wez s LEU 39 Cb -0.20 2.20 0.13 0.00 0.03 0.00 0.00 46.19 48.35 1wez s LEU 39 CO 0.20 -0.98 0.19 0.20 0.23 0.00 0.00 176.35 176.19 1wez s ASN 40 N -3.03 3.20 -0.13 2.29 0.01 -1.26 -4.97 114.94 111.05 1wez s ASN 40 Ca 0.14 -2.00 -0.29 0.00 -0.71 0.00 0.00 52.86 50.00 1wez s ASN 40 Cb -0.02 -0.46 -0.02 0.00 0.41 0.00 0.00 41.25 41.16 1wez s ASN 40 CO 0.04 -0.34 1.26 -2.16 -1.51 0.00 0.00 177.10 174.39 1wez s PRO 41 N 1.26 4.26 0.32 -0.60 0.04 -1.26 -4.83 135.00 134.19 1wez s PRO 41 Ca 0.16 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.96 1wez s PRO 41 Cb -0.21 -3.72 0.92 0.00 0.04 0.00 0.00 34.50 31.53 1wez s PRO 41 CO -0.09 -0.65 1.61 0.52 0.04 0.00 0.00 177.00 178.44 1wez h MET 42 N 8.05 0.13 -1.38 4.56 2.86 0.13 -3.43 114.93 125.84 1wez h MET 42 Ca -0.29 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1wez h MET 42 Cb 1.12 -0.03 -0.24 0.00 0.06 0.00 0.00 31.60 32.51 1wez h MET 42 CO 0.95 0.08 0.70 -0.98 1.06 0.00 0.00 176.91 178.72 1wez s ARG 43 N -5.82 0.40 -0.16 1.72 1.70 -1.25 -4.96 118.95 110.58 1wez s ARG 43 Ca -0.11 0.09 -0.00 0.00 -0.47 0.00 0.00 55.73 55.24 1wez s ARG 43 Cb 0.29 0.19 0.03 0.00 -0.57 0.00 0.00 34.95 34.89 1wez s ARG 43 CO 0.78 -0.13 -0.09 0.08 -1.08 0.00 0.00 175.30 174.87 1wez s VAL 44 N -1.12 1.31 -0.25 4.99 1.01 -1.26 -1.96 120.40 123.12 1wez s VAL 44 Ca 0.02 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 1wez s VAL 44 Cb -0.01 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1wez s VAL 44 CO -0.02 0.25 0.65 -2.28 0.00 0.00 0.00 175.10 173.71 1wez s HIS 45 N 1.57 3.29 -0.52 5.22 5.04 -0.14 -4.91 115.29 124.84 1wez s HIS 45 Ca 0.02 0.86 -0.20 0.00 -1.54 0.00 0.00 55.06 54.20 1wez s HIS 45 Cb -0.14 -2.86 0.06 0.00 0.04 0.00 0.00 32.58 29.67 1wez s HIS 45 CO -0.09 -0.32 0.71 0.42 -2.34 0.00 0.00 174.74 173.12 1wez s ILE 46 N 2.50 4.75 0.04 0.89 -1.09 -1.26 -2.42 121.20 124.61 1wez s ILE 46 Ca 0.27 -0.32 -0.30 0.00 -2.23 0.00 0.00 60.65 58.07 1wez s ILE 46 Cb -0.15 -4.37 -0.07 0.00 -1.58 0.00 0.00 42.46 36.28 1wez s ILE 46 CO 0.08 -0.90 1.61 -0.70 -1.23 0.00 0.00 174.94 173.80 1wez s GLU 47 N 2.97 4.21 -0.08 2.79 2.12 -1.18 -4.99 118.70 124.53 1wez s GLU 47 Ca 0.19 2.25 -0.01 0.00 0.36 0.00 0.00 54.97 57.76 1wez s GLU 47 Cb -0.18 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 1wez s GLU 47 CO 0.13 -0.72 -0.03 0.42 -0.54 0.00 0.00 175.26 174.53 1wez s ILE 48 N 2.75 4.02 0.00 -3.70 -1.09 -1.26 -2.36 121.20 119.57 1wez s ILE 48 Ca 0.72 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.79 1wez s ILE 48 Cb -0.37 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1wez s ILE 48 CO 0.31 0.59 0.00 0.61 -1.23 0.00 0.00 174.94 175.22 1wez n GLY 49 N 2.28 0.70 0.07 6.18 0.00 0.15 -4.82 105.19 109.75 1wez n GLY 49 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 1wez n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wez h PRO 50 N 0.00 -0.14 0.00 1.61 0.13 -1.97 -3.46 132.00 128.16 1wez h PRO 50 Ca 0.00 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.09 1wez h PRO 50 Cb 0.00 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.12 1wez h PRO 50 CO 0.00 -0.09 -0.09 -0.40 -0.23 0.00 0.00 178.00 177.18 1wez n ASP 51 N -3.28 -0.41 0.02 1.44 5.68 -1.26 -5.02 116.55 113.72 1wez n ASP 51 Ca -0.02 -1.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 1wez n ASP 51 Cb 0.06 0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1wez n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wez n GLY 52 N -0.27 -1.82 3.56 6.12 0.00 -1.26 -5.14 105.19 106.38 1wez n GLY 52 Ca -0.07 0.63 -0.36 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.34 0.49 -3.70 1.61 1.74 -1.26 -4.76 116.66 108.44 1wez n ARG 53 Ca 0.00 0.21 -0.25 0.00 -0.77 0.00 0.00 57.85 57.04 1wez n ARG 53 Cb 0.00 -2.05 -0.03 0.00 -1.02 0.00 0.00 32.46 29.37 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 -1.80 5.20 -0.11 1.55 -7.23 -1.26 -0.67 120.40 116.08 1wez s VAL 54 Ca 0.71 -0.53 0.17 0.00 -1.81 0.00 0.00 61.98 60.52 1wez s VAL 54 Cb -0.36 -3.78 -0.20 0.00 0.56 0.00 0.00 36.38 32.60 1wez s VAL 54 CO 0.52 -0.27 0.61 0.35 -0.31 0.00 0.00 175.10 176.00 1wez n THR 55 N -1.02 1.22 0.00 5.32 -2.24 -0.99 -4.67 114.28 111.91 1wez n THR 55 Ca -0.06 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1wez n THR 55 Cb 0.55 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 1.49 0.93 3.71 3.38 0.00 -1.26 -4.78 105.19 108.67 1wez n GLY 56 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.43 2.58 -0.25 1.61 2.02 -1.26 -0.30 118.70 122.68 1wez s GLU 57 Ca 0.00 -1.07 -0.21 0.00 0.02 0.00 0.00 54.97 53.71 1wez s GLU 57 Cb 0.00 -2.43 0.07 0.00 0.10 0.00 0.00 34.13 31.86 1wez s GLU 57 CO 0.00 0.45 0.65 0.00 0.02 0.00 0.00 175.26 176.38 1wez s ALA 58 N -1.84 -1.64 -0.24 5.21 0.00 -1.02 -3.11 121.76 119.13 1wez s ALA 58 Ca 0.29 1.93 -0.07 0.00 0.00 0.00 0.00 51.96 54.12 1wez s ALA 58 Cb -0.09 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 1wez s ALA 58 CO 0.21 -0.32 0.04 -0.51 0.00 0.00 0.00 175.76 175.18 1wez s ASP 59 N 0.61 4.94 0.20 0.00 1.01 -1.01 0.21 116.67 122.63 1wez s ASP 59 Ca -0.02 -0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.04 1wez s ASP 59 Cb -0.05 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 41.97 1wez s ASP 59 CO -0.03 -0.03 0.22 -0.69 0.21 0.00 0.00 175.17 174.85 1wez s VAL 60 N 1.58 4.78 -0.02 -1.27 1.01 0.22 -0.97 120.40 125.73 1wez s VAL 60 Ca 0.06 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1wez s VAL 60 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1wez s VAL 60 CO 0.02 -0.22 -0.07 -1.61 0.00 0.00 0.00 175.10 173.22 1wez s GLU 61 N -3.52 0.70 -0.01 2.72 8.01 -0.83 -1.68 118.70 124.09 1wez s GLU 61 Ca 0.33 -0.22 0.02 0.00 0.01 0.00 0.00 54.97 55.11 1wez s GLU 61 Cb -0.09 -0.68 -0.00 0.00 -4.31 0.00 0.00 34.13 29.04 1wez s GLU 61 CO 0.26 0.09 -0.07 -0.06 0.01 0.00 0.00 175.26 175.48 1wez s PHE 62 N 0.17 0.69 0.08 1.61 0.08 -1.09 0.17 117.98 119.69 1wez s PHE 62 Ca -0.02 -0.14 -0.32 0.00 0.12 0.00 0.00 56.93 56.57 1wez s PHE 62 Cb -0.07 -0.47 -0.16 0.00 -0.57 0.00 0.00 43.02 41.75 1wez s PHE 62 CO -0.00 -0.04 1.62 0.00 -0.10 0.00 0.00 175.22 176.70 1wez h ALA 63 N 6.12 -0.83 -5.85 5.36 0.00 -1.88 -3.39 119.26 118.80 1wez h ALA 63 Ca -0.31 -0.16 -0.37 0.00 0.00 0.00 0.00 54.91 54.08 1wez h ALA 63 Cb 1.18 0.43 0.01 0.00 0.00 0.00 0.00 17.79 19.42 1wez h ALA 63 CO 0.50 -0.99 -0.07 0.25 0.00 0.00 0.00 179.25 178.94 1wez n THR 64 N -5.47 0.00 -0.06 0.00 -2.24 -1.26 -4.78 114.28 100.47 1wez n THR 64 Ca -0.12 -1.46 -0.20 0.00 -2.27 0.00 0.00 64.05 60.01 1wez n THR 64 Cb 0.36 -0.58 -0.13 0.00 -2.10 0.00 0.00 70.33 67.89 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 0.14 0.16 -0.88 4.78 2.76 -1.96 -3.35 115.15 116.80 1wez h HIS 65 Ca -0.21 -0.11 0.21 0.00 -2.20 0.00 0.00 60.37 58.05 1wez h HIS 65 Cb 0.93 -0.01 -0.16 0.00 1.55 0.00 0.00 27.41 29.72 1wez h HIS 65 CO 0.00 1.42 -0.08 0.93 -1.30 0.00 0.00 177.93 178.90 1wez h GLU 66 N -0.74 0.03 -0.99 5.26 5.08 -1.99 1.49 114.58 122.72 1wez h GLU 66 Ca -0.27 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1wez h GLU 66 Cb 1.41 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.56 1wez h GLU 66 CO -0.07 0.02 0.61 -0.44 -1.00 0.00 0.00 179.01 178.13 1wez h ASP 67 N 0.03 0.84 0.00 1.42 5.19 -1.98 0.57 116.42 122.50 1wez h ASP 67 Ca 0.48 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 1wez h ASP 67 Cb 0.85 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1wez h ASP 67 CO -0.85 0.38 0.00 0.00 -3.12 0.00 0.00 179.24 175.65 1wez n ALA 68 N -2.34 -0.37 -0.33 3.45 0.00 0.50 -0.72 120.51 120.70 1wez n ALA 68 Ca 0.21 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.87 1wez n ALA 68 Cb 0.45 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.36 1wez n ALA 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wez h VAL 69 N 0.00 0.28 -0.75 0.00 2.07 -1.10 1.50 116.25 118.25 1wez h VAL 69 Ca 0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1wez h VAL 69 Cb 0.00 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 29.68 1wez h VAL 69 CO 0.00 0.05 0.43 0.00 0.02 0.00 0.00 177.57 178.08 1wez h ALA 70 N 1.85 1.02 -0.03 1.67 0.00 0.33 0.12 119.26 124.22 1wez h ALA 70 Ca 0.71 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.56 1wez h ALA 70 Cb 1.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1wez h ALA 70 CO -0.63 0.12 -0.34 0.00 0.00 0.00 0.00 179.25 178.41 1wez h ALA 71 N 1.38 1.39 0.00 0.00 0.00 0.43 -1.28 119.26 121.18 1wez h ALA 71 Ca 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wez h ALA 71 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wez h ALA 71 CO -0.19 0.45 0.00 -1.33 0.00 0.00 0.00 179.25 178.18 1wez n MET 72 N -4.13 0.38 0.33 0.00 2.81 0.37 -3.02 117.12 113.86 1wez n MET 72 Ca -0.02 0.07 0.16 0.00 -1.81 0.00 0.00 57.70 56.10 1wez n MET 72 Cb 0.39 -1.50 0.86 0.00 -0.71 0.00 0.00 33.22 32.25 1wez n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wez h ALA 73 N 2.94 1.27 -0.33 3.04 0.00 -0.82 1.80 119.26 127.17 1wez h ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wez h ALA 73 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wez h ALA 73 CO 0.00 -0.27 0.00 1.63 0.00 0.00 0.00 179.25 180.61 1wez n LYS 74 N -2.87 3.17 -1.51 0.00 4.76 -1.17 -4.98 118.16 115.57 1wez n LYS 74 Ca -0.02 -2.76 -0.34 0.00 -2.87 0.00 0.00 58.31 52.32 1wez n LYS 74 Cb 0.33 -1.81 -0.16 0.00 -1.84 0.00 0.00 35.03 31.55 1wez n LYS 74 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1wez n ASP 75 N -0.15 0.04 -1.85 4.39 5.75 0.61 0.12 116.55 125.46 1wez n ASP 75 Ca 0.21 -0.15 -0.04 0.00 -0.01 0.00 0.00 54.79 54.80 1wez n ASP 75 Cb 0.86 -0.90 0.02 0.00 -1.03 0.00 0.00 41.12 40.06 1wez n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1wez n LYS 76 N 7.73 -1.03 0.00 0.11 4.01 -1.11 -4.90 118.16 122.98 1wez n LYS 76 Ca 0.63 0.23 0.00 0.00 -0.51 0.00 0.00 58.31 58.66 1wez n LYS 76 Cb 0.12 -2.93 0.00 0.00 -0.51 0.00 0.00 35.03 31.71 1wez n LYS 76 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wez n ALA 77 N -1.91 0.00 -3.86 7.82 0.00 0.32 -4.89 120.51 117.99 1wez n ALA 77 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 1wez n ALA 77 Cb 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.45 4.26 -0.03 0.00 2.20 -1.26 -3.75 114.94 115.90 1wez s ASN 78 Ca 0.00 -2.15 -0.23 0.00 -0.94 0.00 0.00 52.86 49.54 1wez s ASN 78 Cb 0.00 -1.26 -0.16 0.00 -2.00 0.00 0.00 41.25 37.83 1wez s ASN 78 CO 0.00 -0.36 1.01 -0.03 -2.94 0.00 0.00 177.10 174.79 1wez h MET 79 N 7.51 -0.24 0.00 3.55 4.05 -1.97 -3.46 114.93 124.37 1wez h MET 79 Ca -0.07 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1wez h MET 79 Cb 0.99 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1wez h MET 79 CO 0.52 0.17 0.00 1.04 0.23 0.00 0.00 176.91 178.87 1wez n GLN 80 N -4.97 0.00 -0.40 0.39 1.13 -1.26 -4.99 117.38 107.28 1wez n GLN 80 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1wez n GLN 80 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.61 1wez n GLN 80 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1wez n HIS 81 N -1.87 0.00 -4.39 1.08 1.44 -1.26 -5.11 115.22 105.10 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 0.06 -0.07 0.00 0.12 0.00 0.00 29.99 30.10 1wez n HIS 81 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1wez n ARG 82 N 0.00 0.49 -4.05 -1.40 5.12 -1.26 -5.09 116.66 110.46 1wez n ARG 82 Ca 0.00 -3.37 -0.32 0.00 -1.93 0.00 0.00 57.85 52.23 1wez n ARG 82 Cb 0.60 2.27 -0.15 0.00 -1.16 0.00 0.00 32.46 34.02 1wez n ARG 82 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1wez s TYR 83 N -3.21 3.35 0.00 -1.55 1.51 -1.26 -3.68 117.35 112.51 1wez s TYR 83 Ca 0.30 -2.46 -0.17 0.00 -1.01 0.00 0.00 57.07 53.73 1wez s TYR 83 Cb 0.01 -2.13 -0.06 0.00 -0.11 0.00 0.00 41.96 39.68 1wez s TYR 83 CO 0.21 -0.89 0.49 0.14 -1.11 0.00 0.00 175.55 174.39 1wez s VAL 84 N 1.07 4.95 -0.28 0.71 -7.23 -1.17 -4.66 120.40 113.78 1wez s VAL 84 Ca -0.05 1.02 -0.17 0.00 -1.81 0.00 0.00 61.98 60.97 1wez s VAL 84 Cb -0.20 -3.81 -0.02 0.00 0.56 0.00 0.00 36.38 32.91 1wez s VAL 84 CO -0.06 0.51 0.49 -1.61 -0.31 0.00 0.00 175.10 174.12 1wez s GLU 85 N -0.72 3.97 -0.04 4.82 0.41 0.59 -2.73 118.70 125.00 1wez s GLU 85 Ca 0.26 0.17 -0.16 0.00 -0.41 0.00 0.00 54.97 54.83 1wez s GLU 85 Cb -0.17 -3.69 -0.05 0.00 -1.78 0.00 0.00 34.13 28.44 1wez s GLU 85 CO 0.15 -0.40 0.45 -0.51 -0.49 0.00 0.00 175.26 174.46 1wez s LEU 86 N 2.29 4.41 -0.25 1.80 2.01 -1.26 -1.39 118.68 126.28 1wez s LEU 86 Ca 0.19 0.94 0.03 0.00 0.01 0.00 0.00 54.13 55.30 1wez s LEU 86 Cb -0.16 -2.66 0.06 0.00 0.01 0.00 0.00 46.19 43.44 1wez s LEU 86 CO 0.10 0.20 -0.11 -0.36 1.01 0.00 0.00 176.35 177.19 1wez s PHE 87 N -0.45 3.13 -0.38 0.29 0.08 -0.22 -4.85 117.98 115.58 1wez s PHE 87 Ca 0.25 -2.22 -0.29 0.00 0.12 0.00 0.00 56.93 54.79 1wez s PHE 87 Cb -0.16 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1wez s PHE 87 CO 0.13 -0.86 1.21 -1.17 -0.10 0.00 0.00 175.22 174.42 1wez s LEU 88 N 1.15 3.77 -0.26 -0.37 2.96 -1.26 -1.92 118.68 122.75 1wez s LEU 88 Ca -0.08 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 1wez s LEU 88 Cb -0.19 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.03 1wez s LEU 88 CO -0.06 -1.13 0.02 0.20 -1.32 0.00 0.00 176.35 174.06 1wez s ASN 89 N 2.55 3.88 0.21 3.68 0.01 -0.44 -5.03 114.94 119.79 1wez s ASN 89 Ca 0.51 -1.39 -0.04 0.00 -0.71 0.00 0.00 52.86 51.23 1wez s ASN 89 Cb -0.12 -1.05 -0.03 0.00 0.41 0.00 0.00 41.25 40.46 1wez s ASN 89 CO 0.25 -0.32 0.21 -0.55 -1.51 0.00 0.00 177.10 175.18 1wez s SER 90 N 1.47 0.10 -0.21 -1.22 0.15 -1.25 0.19 113.70 112.93 1wez s SER 90 Ca 0.02 -1.25 0.07 0.00 0.70 0.00 0.00 55.95 55.48 1wez s SER 90 Cb -0.18 0.42 -0.17 0.00 -1.71 0.00 0.00 66.02 64.38 1wez s SER 90 CO -0.12 -0.90 -0.11 0.41 1.20 0.00 0.00 173.24 173.71 1wez n THR 91 N -0.28 1.28 -1.54 6.45 -1.04 -1.24 -4.93 114.28 112.97 1wez n THR 91 Ca 0.00 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1wez n THR 91 Cb 0.65 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 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 -2.99 -1.93 -2.96 2.41 0.00 -1.26 -5.02 120.51 108.75 1wez n ALA 92 Ca -0.36 0.44 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 1wez n ALA 92 Cb 0.98 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1wez n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wez s GLY 93 N -3.52 -1.36 -0.30 0.00 0.00 -1.26 -5.13 107.32 95.76 1wez s GLY 93 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 44.72 44.75 1wez s GLY 93 CO 0.00 3.80 0.89 -1.08 0.00 0.00 0.00 173.10 176.72 1wez s THR 94 N 1.47 -0.45 0.04 0.90 -1.32 -1.26 -5.14 115.64 109.88 1wez s THR 94 Ca 0.21 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 1wez s THR 94 Cb -0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1wez s THR 94 CO -0.08 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.09 1wez n SER 95 N 4.72 -5.37 0.00 8.08 2.88 -1.26 -5.02 113.62 117.65 1wez n SER 95 Ca -0.13 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1wez n SER 95 Cb 0.53 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wez n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wez n GLY 96 N -0.54 5.05 0.00 0.46 0.00 -1.26 -5.18 105.19 103.71 1wez n GLY 96 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1wez n GLY 96 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wez n SER 97 N 0.00 0.00 -4.51 1.61 2.88 -1.26 -5.18 113.62 107.16 1wez n SER 97 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1wez n SER 97 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1wez n SER 97 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wez s GLY 98 N 0.00 1.77 0.26 0.46 0.00 -1.26 -5.12 107.32 103.43 1wez s GLY 98 Ca 0.00 -1.70 -0.30 0.00 0.00 0.00 0.00 44.72 42.72 1wez s GLY 98 CO 0.00 -1.76 1.09 2.56 0.00 0.00 0.00 173.10 174.99 1wez s PRO 99 N -3.22 4.65 0.39 2.90 0.04 -1.26 -5.04 135.00 133.46 1wez s PRO 99 Ca 0.27 1.76 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 1wez s PRO 99 Cb -0.07 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 1wez s PRO 99 CO 0.15 0.21 0.70 -1.12 0.04 0.00 0.00 177.00 176.98 1wez s SER 100 N -0.75 6.42 0.17 6.66 0.01 -1.26 -5.10 113.70 119.86 1wez s SER 100 Ca 0.45 0.92 0.09 0.00 1.31 0.00 0.00 55.95 58.73 1wez s SER 100 Cb -0.31 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1wez s SER 100 CO 0.39 -0.38 -0.14 -0.94 0.41 0.00 0.00 173.24 172.58 1wez s SER 101 N -3.45 4.03 0.00 2.44 1.04 -1.26 -5.36 113.70 111.14 1wez s SER 101 Ca 0.48 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1wez s SER 101 Cb -0.10 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.41 1wez s SER 101 CO 0.35 0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.30