#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx6 s SER 2 N 0.00 5.23 0.17 1.61 0.01 -1.26 -5.07 113.70 114.39 1wx6 s SER 2 Ca 0.00 -2.66 -0.32 0.00 1.31 0.00 0.00 55.95 54.29 1wx6 s SER 2 Cb 0.00 -1.85 -0.11 0.00 0.21 0.00 0.00 66.02 64.28 1wx6 s SER 2 CO 0.00 -0.41 1.67 -0.55 0.41 0.00 0.00 173.24 174.36 1wx6 s SER 3 N 0.95 6.48 0.13 2.44 0.15 -1.26 -4.62 113.70 117.97 1wx6 s SER 3 Ca 0.15 2.73 0.00 0.00 0.70 0.00 0.00 55.95 59.53 1wx6 s SER 3 Cb -0.21 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 1wx6 s SER 3 CO -0.03 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.10 1wx6 n GLY 4 N 3.92 -3.78 3.68 9.45 0.00 -1.26 -4.89 105.19 112.31 1wx6 n GLY 4 Ca 0.15 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1wx6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx6 s SER 5 N -1.56 7.14 0.35 1.61 0.01 -1.26 -5.03 113.70 114.95 1wx6 s SER 5 Ca 0.00 1.55 0.09 0.00 1.31 0.00 0.00 55.95 58.90 1wx6 s SER 5 Cb 0.00 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1wx6 s SER 5 CO 0.00 -0.57 -0.08 -0.55 0.41 0.00 0.00 173.24 172.45 1wx6 s SER 6 N 1.28 3.71 -0.09 2.44 0.15 -1.26 -4.96 113.70 114.97 1wx6 s SER 6 Ca 0.49 -1.22 -0.04 0.00 0.70 0.00 0.00 55.95 55.89 1wx6 s SER 6 Cb -0.19 -0.35 0.01 0.00 -1.71 0.00 0.00 66.02 63.79 1wx6 s SER 6 CO 0.15 -0.24 0.07 0.61 1.20 0.00 0.00 173.24 175.03 1wx6 n GLY 7 N -0.80 -2.08 2.99 9.45 0.00 -1.26 -4.98 105.19 108.51 1wx6 n GLY 7 Ca -0.05 0.59 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 1wx6 n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wx6 s LEU 8 N -0.59 3.17 -0.50 0.99 1.98 -1.26 -5.04 118.68 117.42 1wx6 s LEU 8 Ca -0.08 -1.41 0.04 0.00 -2.89 0.00 0.00 54.13 49.78 1wx6 s LEU 8 Cb 0.01 -1.36 0.16 0.00 0.66 0.00 0.00 46.19 45.66 1wx6 s LEU 8 CO 0.33 -0.25 0.37 -0.94 -1.89 0.00 0.00 176.35 173.98 1wx6 s SER 9 N 1.23 2.82 -0.04 3.68 1.04 -1.26 -5.09 113.70 116.08 1wx6 s SER 9 Ca -0.04 -3.23 0.03 0.00 0.48 0.00 0.00 55.95 53.19 1wx6 s SER 9 Cb -0.19 -0.88 0.01 0.00 0.10 0.00 0.00 66.02 65.05 1wx6 s SER 9 CO -0.07 -0.16 -0.10 0.20 0.98 0.00 0.00 173.24 174.09 1wx6 s ASN 10 N -0.34 1.42 -0.10 7.02 0.01 -1.26 -4.97 114.94 116.72 1wx6 s ASN 10 Ca 0.28 -0.23 -0.01 0.00 -0.71 0.00 0.00 52.86 52.20 1wx6 s ASN 10 Cb -0.03 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.15 1wx6 s ASN 10 CO -0.16 0.06 0.02 0.61 -1.51 0.00 0.00 177.10 176.12 1wx6 n GLY 11 N 3.46 -3.44 0.29 0.66 0.00 -1.26 -4.82 105.19 100.07 1wx6 n GLY 11 Ca -0.20 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1wx6 n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wx6 n GLN 12 N 0.31 -0.07 0.00 1.61 1.13 -1.26 -4.72 117.38 114.39 1wx6 n GLN 12 Ca -0.03 1.24 0.00 0.00 -1.94 0.00 0.00 57.00 56.27 1wx6 n GLN 12 Cb 0.04 -1.99 0.00 0.00 0.11 0.00 0.00 30.24 28.40 1wx6 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wx6 n GLY 13 N -1.40 2.08 3.90 1.08 0.00 -1.26 -4.52 105.19 105.07 1wx6 n GLY 13 Ca 0.21 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1wx6 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx6 s SER 14 N -4.00 6.45 0.26 1.61 0.01 -1.26 -5.11 113.70 111.66 1wx6 s SER 14 Ca 0.00 0.48 0.07 0.00 1.31 0.00 0.00 55.95 57.81 1wx6 s SER 14 Cb 0.00 -2.05 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 1wx6 s SER 14 CO 0.00 0.19 0.23 -0.13 0.41 0.00 0.00 173.24 173.94 1wx6 s ARG 15 N -2.15 2.98 -0.10 12.44 0.52 -1.26 -5.01 118.95 126.36 1wx6 s ARG 15 Ca 0.32 -1.04 -0.31 0.00 -0.52 0.00 0.00 55.73 54.18 1wx6 s ARG 15 Cb -0.13 -2.60 -0.09 0.00 0.52 0.00 0.00 34.95 32.65 1wx6 s ARG 15 CO 0.21 0.37 2.03 0.28 0.02 0.00 0.00 175.30 178.22 1wx6 n VAL 16 N -1.23 0.56 -0.06 3.52 0.31 -1.26 -4.52 118.33 115.64 1wx6 n VAL 16 Ca -0.07 -0.23 -0.03 0.00 -0.01 0.00 0.00 64.34 64.00 1wx6 n VAL 16 Cb 0.58 -2.21 -0.01 0.00 -0.91 0.00 0.00 33.84 31.29 1wx6 n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1wx6 h LEU 17 N 11.56 0.00 -7.19 7.52 3.38 -0.47 -3.40 115.31 126.71 1wx6 h LEU 17 Ca -0.45 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 1wx6 h LEU 17 Cb 1.26 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.77 1wx6 h LEU 17 CO 0.95 0.62 -0.17 -1.00 0.09 0.00 0.00 178.44 178.94 1wx6 s HIS 18 N -1.97 -0.65 -0.09 1.13 3.76 -1.25 -1.58 115.29 114.64 1wx6 s HIS 18 Ca -0.10 1.45 -0.29 0.00 -0.15 0.00 0.00 55.06 55.97 1wx6 s HIS 18 Cb 0.01 0.29 -0.02 0.00 1.11 0.00 0.00 32.58 33.98 1wx6 s HIS 18 CO 0.15 -0.34 0.97 0.08 -0.85 0.00 0.00 174.74 174.76 1wx6 s VAL 19 N 0.90 4.82 0.27 -0.90 1.01 -1.21 -1.27 120.40 124.02 1wx6 s VAL 19 Ca -0.05 1.99 0.07 0.00 0.00 0.00 0.00 61.98 63.98 1wx6 s VAL 19 Cb -0.06 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.98 1wx6 s VAL 19 CO -0.07 0.04 -0.08 0.68 0.00 0.00 0.00 175.10 175.67 1wx6 s VAL 20 N 1.82 1.68 0.24 2.92 -7.23 -0.29 -0.78 120.40 118.76 1wx6 s VAL 20 Ca 0.48 -2.15 0.09 0.00 -1.81 0.00 0.00 61.98 58.59 1wx6 s VAL 20 Cb -0.18 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1wx6 s VAL 20 CO 0.19 -0.35 -0.15 -1.58 -0.31 0.00 0.00 175.10 172.90 1wx6 s GLN 21 N -3.71 1.48 -0.33 4.82 0.74 -0.50 -0.84 119.66 121.31 1wx6 s GLN 21 Ca 0.28 -1.68 -0.11 0.00 0.05 0.00 0.00 55.36 53.90 1wx6 s GLN 21 Cb 0.03 -1.33 -0.01 0.00 1.10 0.00 0.00 33.01 32.80 1wx6 s GLN 21 CO 0.11 0.21 0.20 0.95 -0.55 0.00 0.00 175.29 176.21 1wx6 s THR 22 N -2.83 4.93 0.02 -0.34 -4.23 0.16 -1.81 115.64 111.53 1wx6 s THR 22 Ca 0.26 -0.37 -0.18 0.00 -1.18 0.00 0.00 61.69 60.22 1wx6 s THR 22 Cb -0.01 -3.55 -0.28 0.00 1.34 0.00 0.00 72.50 70.00 1wx6 s THR 22 CO 0.10 -0.01 1.06 -0.07 -0.54 0.00 0.00 174.62 175.16 1wx6 h LEU 23 N 8.43 0.70 -8.82 4.79 3.38 -1.66 0.92 115.31 123.06 1wx6 h LEU 23 Ca -0.31 -0.83 -0.66 0.00 0.09 0.00 0.00 57.88 56.16 1wx6 h LEU 23 Cb 1.15 -0.22 -0.23 0.00 0.09 0.00 0.00 40.66 41.45 1wx6 h LEU 23 CO 0.63 1.46 -0.86 -0.31 0.09 0.00 0.00 178.44 179.45 1wx6 s TYR 24 N -2.93 2.20 0.26 1.13 2.02 -1.25 -4.47 117.35 114.31 1wx6 s TYR 24 Ca -0.11 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 55.90 1wx6 s TYR 24 Cb 0.04 -1.22 -0.09 0.00 -0.40 0.00 0.00 41.96 40.28 1wx6 s TYR 24 CO 0.88 0.26 1.26 -1.25 -1.57 0.00 0.00 175.55 175.13 1wx6 s PRO 25 N -1.82 4.43 -0.14 -1.71 0.04 -1.26 -4.59 135.00 129.95 1wx6 s PRO 25 Ca 0.12 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.16 1wx6 s PRO 25 Cb -0.10 -3.15 0.07 0.00 0.04 0.00 0.00 34.50 31.35 1wx6 s PRO 25 CO 0.05 -0.13 0.26 0.12 0.04 0.00 0.00 177.00 177.34 1wx6 s PHE 26 N -0.56 -0.42 -0.20 0.56 2.19 -1.17 -4.93 117.98 113.44 1wx6 s PHE 26 Ca 0.51 0.93 -0.09 0.00 0.33 0.00 0.00 56.93 58.61 1wx6 s PHE 26 Cb -0.36 -0.06 -0.05 0.00 -1.31 0.00 0.00 43.02 41.24 1wx6 s PHE 26 CO 0.44 -0.38 0.12 -1.12 1.83 0.00 0.00 175.22 176.10 1wx6 s SER 27 N 2.42 6.07 -0.61 6.13 0.01 -1.26 -2.12 113.70 124.33 1wx6 s SER 27 Ca 0.02 0.19 -0.24 0.00 1.31 0.00 0.00 55.95 57.22 1wx6 s SER 27 Cb -0.12 -2.06 0.05 0.00 0.21 0.00 0.00 66.02 64.09 1wx6 s SER 27 CO -0.09 0.17 1.01 -0.94 0.41 0.00 0.00 173.24 173.81 1wx6 s SER 28 N 0.41 6.27 0.65 2.44 1.04 -1.23 -4.88 113.70 118.40 1wx6 s SER 28 Ca 0.07 -0.52 0.36 0.00 0.48 0.00 0.00 55.95 56.34 1wx6 s SER 28 Cb -0.11 -2.46 1.98 0.00 0.10 0.00 0.00 66.02 65.53 1wx6 s SER 28 CO -0.01 -1.39 2.16 0.58 0.98 0.00 0.00 173.24 175.56 1wx6 h VAL 29 N 6.02 0.14 -4.36 5.02 2.07 -1.93 -3.43 116.25 119.78 1wx6 h VAL 29 Ca -0.27 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 66.92 1wx6 h VAL 29 Cb 1.07 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 1wx6 h VAL 29 CO 1.15 0.00 -0.25 1.07 0.02 0.00 0.00 177.57 179.56 1wx6 n THR 30 N -3.23 0.00 0.10 2.57 5.66 -1.26 -5.07 114.28 113.05 1wx6 n THR 30 Ca -0.02 -1.28 -0.24 0.00 -3.05 0.00 0.00 64.05 59.47 1wx6 n THR 30 Cb 0.23 0.33 -0.15 0.00 -1.55 0.00 0.00 70.33 69.19 1wx6 n THR 30 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1wx6 h GLU 31 N 0.00 0.45 -0.70 1.09 4.11 -2.00 -3.35 114.58 114.19 1wx6 h GLU 31 Ca -0.21 -0.77 0.15 0.00 0.07 0.00 0.00 59.36 58.60 1wx6 h GLU 31 Cb 0.67 0.29 -0.12 0.00 0.50 0.00 0.00 28.75 30.08 1wx6 h GLU 31 CO 0.34 1.37 -0.05 0.93 0.07 0.00 0.00 179.01 181.67 1wx6 h GLU 32 N 0.08 0.07 -7.38 1.06 4.39 -1.96 -3.41 114.58 107.43 1wx6 h GLU 32 Ca -0.30 -0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.89 1wx6 h GLU 32 Cb 2.10 -0.02 0.08 0.00 -0.10 0.00 0.00 28.75 30.81 1wx6 h GLU 32 CO 0.22 0.05 0.40 -1.21 -1.16 0.00 0.00 179.01 177.30 1wx6 s GLU 33 N -6.16 3.09 -0.02 2.33 2.02 -1.26 0.36 118.70 119.06 1wx6 s GLU 33 Ca -0.14 0.73 -0.06 0.00 0.02 0.00 0.00 54.97 55.53 1wx6 s GLU 33 Cb 0.21 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 1wx6 s GLU 33 CO 0.75 -0.94 0.22 -0.51 0.02 0.00 0.00 175.26 174.80 1wx6 s LEU 34 N -5.39 4.38 -0.21 1.80 1.43 -1.20 -4.55 118.68 114.95 1wx6 s LEU 34 Ca 0.57 0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 54.09 1wx6 s LEU 34 Cb -0.12 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 1wx6 s LEU 34 CO 0.54 0.29 0.04 0.54 0.23 0.00 0.00 176.35 177.99 1wx6 s ASN 35 N -1.65 5.20 0.33 2.29 2.20 -1.26 -3.55 114.94 118.51 1wx6 s ASN 35 Ca 0.25 -0.10 -0.11 0.00 -0.94 0.00 0.00 52.86 51.96 1wx6 s ASN 35 Cb -0.13 -1.90 0.02 0.00 -2.00 0.00 0.00 41.25 37.24 1wx6 s ASN 35 CO 0.15 0.08 0.61 0.72 -2.94 0.00 0.00 177.10 175.71 1wx6 s PHE 36 N 0.93 0.48 0.33 1.54 -0.71 -0.90 -4.96 117.98 114.69 1wx6 s PHE 36 Ca 0.03 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 55.01 1wx6 s PHE 36 Cb -0.14 0.36 -0.00 0.00 -1.21 0.00 0.00 43.02 42.03 1wx6 s PHE 36 CO 0.02 -1.27 0.03 0.39 -1.34 0.00 0.00 175.22 173.06 1wx6 n GLU 37 N -0.51 1.00 -2.26 1.99 -0.58 -1.26 -3.05 120.64 115.98 1wx6 n GLU 37 Ca -0.03 -2.51 -0.42 0.00 -0.42 0.00 0.00 57.16 53.77 1wx6 n GLU 37 Cb 0.61 0.89 -0.03 0.00 -0.57 0.00 0.00 31.44 32.34 1wx6 n GLU 37 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1wx6 s LYS 38 N -3.21 4.27 0.00 3.49 2.20 -1.26 -3.44 119.74 121.79 1wx6 s LYS 38 Ca 0.05 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.56 1wx6 s LYS 38 Cb 0.00 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1wx6 s LYS 38 CO 0.03 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 1wx6 n GLY 39 N 3.67 0.68 3.51 5.54 0.00 0.32 -4.97 105.19 113.93 1wx6 n GLY 39 Ca 0.14 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1wx6 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wx6 s GLU 40 N -3.38 2.36 0.05 1.61 2.56 -1.22 -4.89 118.70 115.78 1wx6 s GLU 40 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 54.97 54.17 1wx6 s GLU 40 Cb 0.00 -2.34 -0.04 0.00 2.00 0.00 0.00 34.13 33.75 1wx6 s GLU 40 CO 0.00 0.59 0.12 0.99 -0.56 0.00 0.00 175.26 176.40 1wx6 s THR 41 N -0.89 4.87 0.29 -1.70 2.01 -1.26 0.38 115.64 119.34 1wx6 s THR 41 Ca 0.14 -0.53 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 1wx6 s THR 41 Cb -0.11 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.09 1wx6 s THR 41 CO 0.04 0.20 0.57 -0.04 -0.69 0.00 0.00 174.62 174.71 1wx6 s MET 42 N -2.21 1.76 -0.06 4.92 -1.94 -0.02 -4.72 119.30 117.02 1wx6 s MET 42 Ca 0.29 -1.31 0.02 0.00 -1.71 0.00 0.00 55.69 52.98 1wx6 s MET 42 Cb -0.12 0.52 0.01 0.00 2.01 0.00 0.00 34.83 37.25 1wx6 s MET 42 CO 0.21 -0.76 -0.11 -1.21 -0.01 0.00 0.00 175.02 173.14 1wx6 s GLU 43 N -3.59 1.55 -0.27 2.03 8.01 -1.26 -1.14 118.70 124.03 1wx6 s GLU 43 Ca 0.21 -0.38 -0.29 0.00 0.01 0.00 0.00 54.97 54.51 1wx6 s GLU 43 Cb -0.02 -1.31 -0.01 0.00 -4.31 0.00 0.00 34.13 28.48 1wx6 s GLU 43 CO 0.11 0.03 1.43 0.08 0.01 0.00 0.00 175.26 176.92 1wx6 s VAL 44 N 0.62 3.96 -0.13 2.63 1.01 -0.39 -2.97 120.40 125.13 1wx6 s VAL 44 Ca -0.13 1.08 0.05 0.00 0.00 0.00 0.00 61.98 62.98 1wx6 s VAL 44 Cb -0.15 -3.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.01 1wx6 s VAL 44 CO 0.03 -0.41 0.33 2.30 0.00 0.00 0.00 175.10 177.35 1wx6 n ILE 45 N 6.32 1.62 -3.68 2.22 -5.35 -0.60 0.29 119.36 120.18 1wx6 n ILE 45 Ca 0.16 -0.72 -0.10 0.00 -0.27 0.00 0.00 62.75 61.82 1wx6 n ILE 45 Cb 0.46 -1.26 -0.04 0.00 -1.74 0.00 0.00 39.64 37.07 1wx6 n ILE 45 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1wx6 s GLU 46 N -2.56 1.30 -0.11 6.28 -6.30 -1.10 -4.41 118.70 111.81 1wx6 s GLU 46 Ca -0.16 -0.79 -0.02 0.00 -2.50 0.00 0.00 54.97 51.50 1wx6 s GLU 46 Cb 0.07 0.51 0.04 0.00 0.00 0.00 0.00 34.13 34.76 1wx6 s GLU 46 CO 0.77 -0.54 0.01 0.15 0.02 0.00 0.00 175.26 175.67 1wx6 s LYS 47 N -3.85 0.67 0.13 4.30 1.02 -1.26 -1.47 119.74 119.29 1wx6 s LYS 47 Ca 0.07 -0.07 -0.31 0.00 0.02 0.00 0.00 55.97 55.68 1wx6 s LYS 47 Cb -0.00 -1.35 -0.08 0.00 -0.52 0.00 0.00 37.83 35.88 1wx6 s LYS 47 CO -0.06 -0.40 1.35 -1.25 -0.92 0.00 0.00 175.35 174.07 1wx6 s PRO 48 N 1.93 4.35 -0.02 -1.68 0.04 -1.26 -4.95 135.00 133.40 1wx6 s PRO 48 Ca 0.03 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.88 1wx6 s PRO 48 Cb -0.14 -3.24 -0.21 0.00 0.04 0.00 0.00 34.50 30.95 1wx6 s PRO 48 CO -0.06 -0.37 1.11 1.49 0.04 0.00 0.00 177.00 179.22 1wx6 h GLU 49 N 6.40 0.24 -0.46 4.56 4.81 -1.99 -3.29 114.58 124.85 1wx6 h GLU 49 Ca -0.43 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 58.63 1wx6 h GLU 49 Cb 1.21 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1wx6 h GLU 49 CO 0.83 0.89 0.21 -0.91 -0.73 0.00 0.00 179.01 179.30 1wx6 h ASN 50 N -0.34 0.29 -3.56 1.04 2.35 -2.00 -3.28 115.58 110.07 1wx6 h ASN 50 Ca -0.02 0.03 -0.74 0.00 -0.55 0.00 0.00 56.30 55.02 1wx6 h ASN 50 Cb 0.96 -0.02 -0.33 0.00 0.05 0.00 0.00 38.32 38.99 1wx6 h ASN 50 CO 0.05 0.20 0.02 -1.81 -1.65 0.00 0.00 177.43 174.25 1wx6 s ASP 51 N -5.45 6.29 0.33 5.81 1.01 -1.24 -4.88 116.67 118.54 1wx6 s ASP 51 Ca -0.13 -3.47 0.12 0.00 0.71 0.00 0.00 52.55 49.79 1wx6 s ASP 51 Cb 0.13 -2.00 0.57 0.00 1.01 0.00 0.00 42.92 42.62 1wx6 s ASP 51 CO 0.73 -0.27 1.73 1.55 0.21 0.00 0.00 175.17 179.11 1wx6 h PRO 52 N 6.49 0.00 0.00 8.23 0.13 -1.63 -2.62 132.00 142.61 1wx6 h PRO 52 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1wx6 h PRO 52 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1wx6 h PRO 52 CO 0.86 0.48 0.00 0.39 -0.23 0.00 0.00 178.00 179.50 1wx6 n GLU 53 N -3.94 0.41 -4.31 0.86 1.02 -1.26 -4.71 120.64 108.70 1wx6 n GLU 53 Ca -0.01 0.06 -0.20 0.00 -0.02 0.00 0.00 57.16 56.98 1wx6 n GLU 53 Cb 0.50 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.31 1wx6 n GLU 53 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wx6 s TRP 54 N -2.29 1.70 0.05 -0.32 0.52 -0.99 -3.34 118.94 114.28 1wx6 s TRP 54 Ca 0.22 -0.51 0.03 0.00 0.02 0.00 0.00 56.10 55.86 1wx6 s TRP 54 Cb 0.12 -0.85 -0.03 0.00 -1.15 0.00 0.00 33.47 31.57 1wx6 s TRP 54 CO 0.24 0.29 -0.09 -1.58 0.02 0.00 0.00 176.95 175.83 1wx6 s TRP 55 N -2.26 0.80 -0.36 -1.98 0.51 0.43 -4.47 118.94 111.62 1wx6 s TRP 55 Ca 0.16 -0.49 -0.15 0.00 -2.12 0.00 0.00 56.10 53.49 1wx6 s TRP 55 Cb -0.04 -0.47 -0.00 0.00 -0.81 0.00 0.00 33.47 32.14 1wx6 s TRP 55 CO 0.06 -0.05 0.35 0.21 -0.51 0.00 0.00 176.95 177.01 1wx6 s LYS 56 N -1.63 3.43 0.34 4.98 2.20 -0.54 -0.28 119.74 128.23 1wx6 s LYS 56 Ca -0.08 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.01 1wx6 s LYS 56 Cb -0.10 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1wx6 s LYS 56 CO 0.01 -0.59 0.10 0.00 -0.36 0.00 0.00 175.35 174.51 1wx6 s LYS 58 N -3.85 1.99 0.63 0.00 2.20 -1.16 -2.65 119.74 116.90 1wx6 s LYS 58 Ca 0.32 -0.46 -0.11 0.00 -0.36 0.00 0.00 55.97 55.37 1wx6 s LYS 58 Cb 0.06 -1.79 0.15 0.00 -1.51 0.00 0.00 37.83 34.74 1wx6 s LYS 58 CO 0.15 -0.14 0.62 0.27 -0.36 0.00 0.00 175.35 175.89 1wx6 n ASN 59 N 4.47 -1.15 0.22 1.43 0.23 -0.71 -4.04 115.26 115.71 1wx6 n ASN 59 Ca -0.17 -0.97 0.10 0.00 -0.53 0.00 0.00 54.58 53.01 1wx6 n ASN 59 Cb 0.51 -0.54 0.46 0.00 -2.08 0.00 0.00 39.78 38.13 1wx6 n ASN 59 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wx6 h ALA 60 N -2.26 1.03 0.00 -2.53 0.00 -1.91 -2.59 119.26 111.00 1wx6 h ALA 60 Ca -0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1wx6 h ALA 60 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1wx6 h ALA 60 CO 0.15 0.29 0.00 0.54 0.00 0.00 0.00 179.25 180.23 1wx6 n ARG 61 N -3.41 0.23 -0.79 0.00 1.74 -1.26 -4.89 116.66 108.28 1wx6 n ARG 61 Ca 0.00 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1wx6 n ARG 61 Cb 0.43 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1wx6 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wx6 n GLY 62 N 0.49 1.03 3.58 -0.13 0.00 -0.97 -5.08 105.19 104.10 1wx6 n GLY 62 Ca 0.03 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1wx6 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wx6 s GLN 63 N -1.92 2.71 0.06 1.61 -1.52 -1.26 -4.91 119.66 114.43 1wx6 s GLN 63 Ca 0.00 -0.58 0.04 0.00 -1.95 0.00 0.00 55.36 52.87 1wx6 s GLN 63 Cb 0.00 -2.57 -0.04 0.00 -0.22 0.00 0.00 33.01 30.18 1wx6 s GLN 63 CO 0.00 0.65 0.01 0.14 -0.25 0.00 0.00 175.29 175.85 1wx6 s VAL 64 N -0.83 4.14 0.06 1.09 -7.23 -1.26 -1.74 120.40 114.62 1wx6 s VAL 64 Ca 0.13 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.40 1wx6 s VAL 64 Cb -0.11 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.91 1wx6 s VAL 64 CO 0.02 0.20 0.32 0.61 -0.31 0.00 0.00 175.10 175.94 1wx6 n GLY 65 N 0.80 1.07 3.52 2.32 0.00 -1.08 -4.87 105.19 106.94 1wx6 n GLY 65 Ca -0.11 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 1wx6 n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wx6 s LEU 66 N 0.00 4.61 -0.07 0.99 1.43 0.16 -3.03 118.68 122.77 1wx6 s LEU 66 Ca 0.07 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1wx6 s LEU 66 Cb -0.01 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1wx6 s LEU 66 CO 0.02 -0.52 -0.12 0.54 0.23 0.00 0.00 176.35 176.50 1wx6 s VAL 67 N 2.22 3.29 -0.09 -1.59 0.11 0.61 -3.22 120.40 121.73 1wx6 s VAL 67 Ca 0.14 -0.63 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 1wx6 s VAL 67 Cb -0.16 -2.32 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1wx6 s VAL 67 CO 0.14 0.58 1.52 -2.16 -3.33 0.00 0.00 175.10 171.85 1wx6 s PRO 68 N -0.57 4.19 0.49 1.54 0.04 -1.26 -0.43 135.00 139.00 1wx6 s PRO 68 Ca 0.08 2.00 0.25 0.00 0.04 0.00 0.00 61.00 63.37 1wx6 s PRO 68 Cb -0.12 -3.91 1.26 0.00 0.04 0.00 0.00 34.50 31.77 1wx6 s PRO 68 CO 0.02 -0.80 2.00 1.57 0.04 0.00 0.00 177.00 179.82 1wx6 h LYS 69 N 9.10 0.00 0.00 4.56 2.10 -1.89 -1.79 116.57 128.64 1wx6 h LYS 69 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1wx6 h LYS 69 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1wx6 h LYS 69 CO 0.96 0.17 0.00 0.09 -2.00 0.00 0.00 179.45 178.67 1wx6 n ASN 70 N -3.67 0.27 -0.03 7.07 3.02 -1.26 -2.19 115.26 118.46 1wx6 n ASN 70 Ca -0.01 0.57 0.03 0.00 -0.03 0.00 0.00 54.58 55.14 1wx6 n ASN 70 Cb 0.29 -0.63 -0.13 0.00 -0.61 0.00 0.00 39.78 38.70 1wx6 n ASN 70 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wx6 n TYR 71 N -1.81 0.00 -3.50 3.10 4.02 -0.69 -5.01 117.16 113.27 1wx6 n TYR 71 Ca 0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.72 1wx6 n TYR 71 Cb 0.16 -0.53 0.02 0.00 -0.02 0.00 0.00 39.34 38.98 1wx6 n TYR 71 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1wx6 n VAL 72 N -2.27 0.00 -3.67 -0.72 0.24 -0.93 -1.68 118.33 109.30 1wx6 n VAL 72 Ca -0.11 -1.69 -0.14 0.00 -2.04 0.00 0.00 64.34 60.36 1wx6 n VAL 72 Cb 0.65 -0.31 -0.08 0.00 -1.47 0.00 0.00 33.84 32.63 1wx6 n VAL 72 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1wx6 s VAL 73 N -2.10 0.00 -0.30 3.34 -7.23 -0.75 -4.89 120.40 108.48 1wx6 s VAL 73 Ca 0.35 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.21 1wx6 s VAL 73 Cb -0.03 -0.82 0.01 0.00 0.56 0.00 0.00 36.38 36.11 1wx6 s VAL 73 CO 0.22 -0.01 1.05 -0.69 -0.31 0.00 0.00 175.10 175.35 1wx6 s VAL 74 N 0.08 4.57 -0.15 1.32 1.01 -1.26 -1.40 120.40 124.56 1wx6 s VAL 74 Ca -0.02 1.76 -0.15 0.00 0.00 0.00 0.00 61.98 63.57 1wx6 s VAL 74 Cb -0.04 -4.37 -0.12 0.00 0.00 0.00 0.00 36.38 31.85 1wx6 s VAL 74 CO 0.02 -0.40 0.18 -0.07 0.00 0.00 0.00 175.10 174.83 1wx6 h LEU 75 N 9.90 0.00 0.00 3.92 3.38 -1.32 -3.49 115.31 127.71 1wx6 h LEU 75 Ca -0.20 -0.36 -0.36 0.00 0.09 0.00 0.00 57.88 57.04 1wx6 h LEU 75 Cb 1.06 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 1wx6 h LEU 75 CO 1.01 0.96 -0.33 -1.20 0.09 0.00 0.00 178.44 178.97 1wx6 n SER 76 N -4.60 0.19 -4.04 -0.43 7.64 -1.21 -5.05 113.62 106.13 1wx6 n SER 76 Ca -0.13 -2.56 -0.27 0.00 1.01 0.00 0.00 58.87 56.92 1wx6 n SER 76 Cb 0.37 1.00 -0.17 0.00 -1.01 0.00 0.00 64.21 64.40 1wx6 n SER 76 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1wx6 s ASP 77 N -2.72 2.24 0.24 6.43 1.47 -1.26 -3.30 116.67 119.77 1wx6 s ASP 77 Ca 0.23 -0.38 0.00 0.00 1.18 0.00 0.00 52.55 53.57 1wx6 s ASP 77 Cb 0.01 -1.00 0.00 0.00 -0.34 0.00 0.00 42.92 41.59 1wx6 s ASP 77 CO 0.16 0.02 0.00 0.61 0.68 0.00 0.00 175.17 176.64 1wx6 n GLY 78 N 4.08 -3.29 0.20 2.12 0.00 -0.61 -4.68 105.19 103.01 1wx6 n GLY 78 Ca -0.20 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.75 1wx6 n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx6 h PRO 79 N 0.03 0.00 -6.80 1.61 0.13 -1.86 -3.46 132.00 121.65 1wx6 h PRO 79 Ca -0.01 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.56 1wx6 h PRO 79 Cb 0.40 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.40 1wx6 h PRO 79 CO 0.00 0.34 -0.93 0.00 -0.23 0.00 0.00 178.00 177.18 1wx6 n ALA 80 N -2.34 -1.99 -3.20 -0.56 0.00 -1.26 -4.90 120.51 106.26 1wx6 n ALA 80 Ca -0.01 -0.34 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 1wx6 n ALA 80 Cb 0.44 -1.19 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 1wx6 n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wx6 s LEU 81 N -7.18 5.25 0.01 0.00 1.43 -1.26 -5.06 118.68 111.87 1wx6 s LEU 81 Ca 0.03 -1.47 0.02 0.00 -1.03 0.00 0.00 54.13 51.68 1wx6 s LEU 81 Cb -0.01 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1wx6 s LEU 81 CO 0.95 -0.56 -0.07 -1.38 0.23 0.00 0.00 176.35 175.52 1wx6 s HIS 82 N 1.47 0.59 -0.62 0.29 -3.43 -1.26 -5.10 115.29 107.23 1wx6 s HIS 82 Ca 0.03 -0.22 -0.26 0.00 -0.80 0.00 0.00 55.06 53.81 1wx6 s HIS 82 Cb -0.23 -0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 30.53 1wx6 s HIS 82 CO 0.03 -0.03 1.86 -1.25 -2.00 0.00 0.00 174.74 173.36 1wx6 s PRO 83 N -0.56 2.62 0.11 -0.38 0.04 -1.26 -4.94 135.00 130.63 1wx6 s PRO 83 Ca -0.01 0.60 -0.36 0.00 0.04 0.00 0.00 61.00 61.27 1wx6 s PRO 83 Cb -0.05 -4.40 -0.16 0.00 0.04 0.00 0.00 34.50 29.94 1wx6 s PRO 83 CO 0.00 -2.75 1.37 0.00 0.04 0.00 0.00 177.00 175.67 1wx6 n ALA 84 N 12.79 -0.52 -2.63 8.56 0.00 -1.26 -4.92 120.51 132.54 1wx6 n ALA 84 Ca 0.21 0.50 -0.43 0.00 0.00 0.00 0.00 53.44 53.71 1wx6 n ALA 84 Cb 0.52 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.76 1wx6 n ALA 84 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wx6 s HIS 85 N 0.51 3.17 -0.22 0.00 2.46 -1.26 -5.01 115.29 114.94 1wx6 s HIS 85 Ca 0.82 -0.57 -0.03 0.00 0.47 0.00 0.00 55.06 55.75 1wx6 s HIS 85 Cb -0.89 -3.05 0.10 0.00 -0.13 0.00 0.00 32.58 28.61 1wx6 s HIS 85 CO 0.46 -0.78 0.24 -1.12 -2.47 0.00 0.00 174.74 171.07 1wx6 s SER 86 N 2.16 1.36 -0.28 9.88 0.01 -1.26 -5.13 113.70 120.43 1wx6 s SER 86 Ca 0.10 -0.27 -0.18 0.00 1.31 0.00 0.00 55.95 56.92 1wx6 s SER 86 Cb -0.19 0.45 0.11 0.00 0.21 0.00 0.00 66.02 66.60 1wx6 s SER 86 CO 0.11 -0.33 0.86 -0.83 0.41 0.00 0.00 173.24 173.46 1wx6 s GLY 87 N 2.34 -0.28 -0.63 3.44 0.00 -1.26 -5.11 107.32 105.83 1wx6 s GLY 87 Ca 0.08 2.76 -0.26 0.00 0.00 0.00 0.00 44.72 47.29 1wx6 s GLY 87 CO -0.15 2.38 1.87 2.56 0.00 0.00 0.00 173.10 179.76 1wx6 s PRO 88 N 1.25 2.62 0.10 2.90 0.04 -1.26 -4.88 135.00 135.77 1wx6 s PRO 88 Ca -0.07 0.57 -0.26 0.00 0.04 0.00 0.00 61.00 61.27 1wx6 s PRO 88 Cb -0.04 -4.42 0.08 0.00 0.04 0.00 0.00 34.50 30.16 1wx6 s PRO 88 CO -0.15 -2.77 1.08 -1.12 0.04 0.00 0.00 177.00 174.08 1wx6 s SER 89 N 8.13 -0.11 0.27 6.66 0.01 -1.26 -5.03 113.70 122.37 1wx6 s SER 89 Ca 0.67 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.56 1wx6 s SER 89 Cb -0.12 0.38 0.58 0.00 0.21 0.00 0.00 66.02 67.06 1wx6 s SER 89 CO 0.20 -0.71 1.42 -1.54 0.41 0.00 0.00 173.24 173.02 1wx6 n SER 90 N -0.59 -0.20 0.00 2.44 3.41 -1.26 -5.25 113.62 112.17 1wx6 n SER 90 Ca -0.06 1.56 0.00 0.00 -0.26 0.00 0.00 58.87 60.10 1wx6 n SER 90 Cb 0.61 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1wx6 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49