#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 0.13 0.27 1.61 1.04 -1.26 -5.04 113.70 110.46 1wx6 s SER 2 Ca 0.00 0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 1wx6 s SER 2 Cb 0.00 0.30 0.62 0.00 0.10 0.00 0.00 66.02 67.04 1wx6 s SER 2 CO 0.00 -0.19 1.65 0.77 0.98 0.00 0.00 173.24 176.46 1wx6 h SER 3 N 7.63 -0.06 0.00 7.02 4.64 -2.12 -3.45 113.55 127.20 1wx6 h SER 3 Ca -0.32 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1wx6 h SER 3 Cb 1.13 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1wx6 h SER 3 CO 0.32 -0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 1wx6 n GLY 4 N -1.38 0.95 3.56 -0.77 0.00 -1.26 -5.14 105.19 101.15 1wx6 n GLY 4 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1wx6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wx6 s SER 5 N -1.76 -0.69 0.15 1.61 0.15 -1.26 -5.18 113.70 106.72 1wx6 s SER 5 Ca 0.00 0.99 -0.10 0.00 0.70 0.00 0.00 55.95 57.54 1wx6 s SER 5 Cb 0.00 0.89 -0.00 0.00 -1.71 0.00 0.00 66.02 65.20 1wx6 s SER 5 CO 0.00 -0.46 0.29 -0.44 1.20 0.00 0.00 173.24 173.83 1wx6 s SER 6 N -0.58 0.02 0.04 5.45 0.01 -1.26 -5.18 113.70 112.20 1wx6 s SER 6 Ca -0.07 -0.76 -0.22 0.00 1.31 0.00 0.00 55.95 56.22 1wx6 s SER 6 Cb -0.02 0.43 0.05 0.00 0.21 0.00 0.00 66.02 66.69 1wx6 s SER 6 CO 0.06 -0.87 0.50 -0.83 0.41 0.00 0.00 173.24 172.51 1wx6 s GLY 7 N -2.93 -0.40 -0.42 3.44 0.00 -1.26 -5.13 107.32 100.63 1wx6 s GLY 7 Ca 0.13 0.55 -0.09 0.00 0.00 0.00 0.00 44.72 45.31 1wx6 s GLY 7 CO -0.03 0.25 0.26 1.08 0.00 0.00 0.00 173.10 174.66 1wx6 s LEU 8 N -1.96 5.17 -0.52 0.66 2.01 -1.26 -5.02 118.68 117.76 1wx6 s LEU 8 Ca -0.05 -1.55 0.04 0.00 0.01 0.00 0.00 54.13 52.57 1wx6 s LEU 8 Cb -0.01 -1.98 0.13 0.00 0.01 0.00 0.00 46.19 44.35 1wx6 s LEU 8 CO -0.02 -0.54 0.26 -0.94 1.01 0.00 0.00 176.35 176.12 1wx6 s SER 9 N 2.13 4.30 -0.13 2.29 1.04 -1.26 -5.07 113.70 117.00 1wx6 s SER 9 Ca 0.03 -3.01 0.01 0.00 0.48 0.00 0.00 55.95 53.47 1wx6 s SER 9 Cb -0.23 -1.63 -0.00 0.00 0.10 0.00 0.00 66.02 64.25 1wx6 s SER 9 CO 0.01 -0.23 -0.17 0.21 0.98 0.00 0.00 173.24 174.04 1wx6 s ASN 10 N -0.29 3.58 -0.05 7.02 3.84 -1.26 -4.93 114.94 122.86 1wx6 s ASN 10 Ca 0.17 -0.46 -0.04 0.00 0.21 0.00 0.00 52.86 52.74 1wx6 s ASN 10 Cb -0.26 -1.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.93 1wx6 s ASN 10 CO -0.00 0.13 0.08 0.61 -2.79 0.00 0.00 177.10 175.13 1wx6 n GLY 11 N 3.75 -4.33 3.15 1.21 0.00 -1.26 -4.89 105.19 102.81 1wx6 n GLY 11 Ca -0.19 0.60 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 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 1.91 -0.55 0.00 1.61 6.02 -1.26 -4.96 117.38 120.15 1wx6 n GLN 12 Ca -0.13 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 1wx6 n GLN 12 Cb 0.20 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1wx6 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wx6 n GLY 13 N 2.74 0.63 3.91 1.08 0.00 -1.26 -5.16 105.19 107.13 1wx6 n GLY 13 Ca 0.00 0.39 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 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 2.00 6.35 0.35 1.61 0.01 -1.26 -5.11 113.70 117.65 1wx6 s SER 14 Ca 0.00 0.80 0.04 0.00 1.31 0.00 0.00 55.95 58.10 1wx6 s SER 14 Cb 0.00 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 1wx6 s SER 14 CO 0.00 -0.40 0.15 0.00 0.41 0.00 0.00 173.24 173.41 1wx6 s ARG 15 N -4.23 1.74 -0.31 12.44 3.03 -1.26 -5.08 118.95 125.28 1wx6 s ARG 15 Ca 0.45 -2.02 -0.28 0.00 2.03 0.00 0.00 55.73 55.91 1wx6 s ARG 15 Cb -0.10 -0.32 -0.02 0.00 -1.03 0.00 0.00 34.95 33.48 1wx6 s ARG 15 CO 0.37 -0.46 1.80 0.08 -1.13 0.00 0.00 175.30 175.96 1wx6 s VAL 16 N -3.41 3.48 -0.13 4.99 1.01 -1.26 -4.25 120.40 120.82 1wx6 s VAL 16 Ca 0.32 0.49 -0.08 0.00 0.00 0.00 0.00 61.98 62.70 1wx6 s VAL 16 Cb 0.04 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1wx6 s VAL 16 CO 0.17 -0.39 0.03 -0.07 0.00 0.00 0.00 175.10 174.84 1wx6 h LEU 17 N 13.51 0.00 -7.24 3.92 3.38 -0.55 -3.43 115.31 124.90 1wx6 h LEU 17 Ca -0.34 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1wx6 h LEU 17 Cb 1.17 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.68 1wx6 h LEU 17 CO 1.02 0.73 -0.18 -1.00 0.09 0.00 0.00 178.44 179.10 1wx6 s HIS 18 N -1.94 -0.54 -0.21 1.13 3.76 -1.25 -3.46 115.29 112.77 1wx6 s HIS 18 Ca -0.10 1.28 -0.27 0.00 -0.15 0.00 0.00 55.06 55.83 1wx6 s HIS 18 Cb 0.01 0.20 -0.00 0.00 1.11 0.00 0.00 32.58 33.90 1wx6 s HIS 18 CO 0.20 -0.27 0.92 0.08 -0.85 0.00 0.00 174.74 174.82 1wx6 s VAL 19 N 0.48 4.78 0.06 -0.90 1.01 -1.01 -1.02 120.40 123.80 1wx6 s VAL 19 Ca -0.02 1.79 0.09 0.00 0.00 0.00 0.00 61.98 63.84 1wx6 s VAL 19 Cb -0.04 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1wx6 s VAL 19 CO -0.02 -0.09 -0.26 0.68 0.00 0.00 0.00 175.10 175.41 1wx6 s VAL 20 N 2.79 2.08 0.30 2.92 -7.23 -0.83 -0.99 120.40 119.44 1wx6 s VAL 20 Ca 0.40 -1.42 0.07 0.00 -1.81 0.00 0.00 61.98 59.22 1wx6 s VAL 20 Cb -0.16 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1wx6 s VAL 20 CO 0.08 0.30 0.27 -1.58 -0.31 0.00 0.00 175.10 173.87 1wx6 s GLN 21 N -1.35 2.86 -0.31 4.82 0.74 -0.64 -0.45 119.66 125.33 1wx6 s GLN 21 Ca 0.11 -1.16 -0.09 0.00 0.05 0.00 0.00 55.36 54.28 1wx6 s GLN 21 Cb -0.10 -2.55 0.00 0.00 1.10 0.00 0.00 33.01 31.46 1wx6 s GLN 21 CO 0.03 0.22 0.13 0.95 -0.55 0.00 0.00 175.29 176.07 1wx6 s THR 22 N -2.22 4.36 0.04 -0.34 -4.23 0.15 -1.78 115.64 111.62 1wx6 s THR 22 Ca 0.38 -0.56 -0.17 0.00 -1.18 0.00 0.00 61.69 60.16 1wx6 s THR 22 Cb -0.07 -3.25 -0.24 0.00 1.34 0.00 0.00 72.50 70.28 1wx6 s THR 22 CO 0.26 0.04 1.14 -0.07 -0.54 0.00 0.00 174.62 175.45 1wx6 h LEU 23 N 8.31 0.74 -8.74 4.79 3.38 -1.65 -0.85 115.31 121.29 1wx6 h LEU 23 Ca -0.31 -0.76 -0.69 0.00 0.09 0.00 0.00 57.88 56.21 1wx6 h LEU 23 Cb 1.13 -0.23 -0.26 0.00 0.09 0.00 0.00 40.66 41.40 1wx6 h LEU 23 CO 0.61 1.41 -0.88 -0.31 0.09 0.00 0.00 178.44 179.36 1wx6 s TYR 24 N -3.22 2.29 0.15 1.13 1.51 -1.25 -4.53 117.35 113.43 1wx6 s TYR 24 Ca -0.11 -0.41 -0.31 0.00 -1.01 0.00 0.00 57.07 55.23 1wx6 s TYR 24 Cb 0.05 -1.36 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 1wx6 s TYR 24 CO 0.88 0.14 1.34 -1.25 -1.11 0.00 0.00 175.55 175.55 1wx6 s PRO 25 N -1.30 4.36 -0.23 -1.71 0.04 -1.26 -4.61 135.00 130.29 1wx6 s PRO 25 Ca 0.12 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 1wx6 s PRO 25 Cb -0.10 -3.23 0.08 0.00 0.04 0.00 0.00 34.50 31.29 1wx6 s PRO 25 CO 0.02 -0.34 0.08 0.12 0.04 0.00 0.00 177.00 176.92 1wx6 s PHE 26 N 0.68 0.78 -0.44 0.56 2.19 -1.06 -4.90 117.98 115.79 1wx6 s PHE 26 Ca 0.61 -0.90 -0.17 0.00 0.33 0.00 0.00 56.93 56.80 1wx6 s PHE 26 Cb -0.36 -1.04 0.04 0.00 -1.31 0.00 0.00 43.02 40.34 1wx6 s PHE 26 CO 0.34 -0.69 0.44 -1.12 1.83 0.00 0.00 175.22 176.01 1wx6 s SER 27 N 1.94 6.18 -0.05 6.13 0.01 -1.26 -0.84 113.70 125.81 1wx6 s SER 27 Ca 0.04 -0.85 -0.27 0.00 1.31 0.00 0.00 55.95 56.18 1wx6 s SER 27 Cb -0.17 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1wx6 s SER 27 CO -0.19 -0.62 0.86 -0.94 0.41 0.00 0.00 173.24 172.77 1wx6 s SER 28 N 2.05 7.18 0.26 2.44 1.04 -1.24 -4.94 113.70 120.48 1wx6 s SER 28 Ca 0.10 1.43 0.14 0.00 0.48 0.00 0.00 55.95 58.09 1wx6 s SER 28 Cb -0.19 -2.50 0.13 0.00 0.10 0.00 0.00 66.02 63.56 1wx6 s SER 28 CO 0.12 -0.23 1.47 0.58 0.98 0.00 0.00 173.24 176.15 1wx6 h VAL 29 N 4.85 1.09 -1.01 5.02 2.07 -1.93 -3.45 116.25 122.88 1wx6 h VAL 29 Ca -0.39 -2.36 -0.56 0.00 0.82 0.00 0.00 66.70 64.21 1wx6 h VAL 29 Cb 1.20 2.42 -0.05 0.00 -1.52 0.00 0.00 31.29 33.33 1wx6 h VAL 29 CO 0.77 0.59 -0.37 0.28 0.02 0.00 0.00 177.57 178.86 1wx6 s THR 30 N -3.05 2.03 0.06 2.57 -1.32 -1.26 -5.05 115.64 109.61 1wx6 s THR 30 Ca 0.02 -1.51 -0.10 0.00 -1.21 0.00 0.00 61.69 58.89 1wx6 s THR 30 Cb 0.09 -2.54 -0.31 0.00 -1.51 0.00 0.00 72.50 68.23 1wx6 s THR 30 CO 0.75 0.00 1.09 -0.08 -2.21 0.00 0.00 174.62 174.17 1wx6 h GLU 31 N 0.98 0.43 -0.91 7.08 4.81 -1.97 -3.32 114.58 121.67 1wx6 h GLU 31 Ca -0.39 -0.69 0.22 0.00 -0.13 0.00 0.00 59.36 58.36 1wx6 h GLU 31 Cb 1.28 0.25 -0.17 0.00 0.63 0.00 0.00 28.75 30.75 1wx6 h GLU 31 CO 0.60 1.32 -0.05 0.93 -0.73 0.00 0.00 179.01 181.09 1wx6 h GLU 32 N 0.14 0.03 -7.00 1.92 5.08 -1.97 -3.41 114.58 109.37 1wx6 h GLU 32 Ca -0.19 -0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.73 1wx6 h GLU 32 Cb 2.02 -0.01 0.06 0.00 0.50 0.00 0.00 28.75 31.33 1wx6 h GLU 32 CO 0.24 0.02 0.06 -1.21 -1.00 0.00 0.00 179.01 177.12 1wx6 s GLU 33 N -6.11 2.35 0.01 2.33 2.02 -1.25 0.10 118.70 118.15 1wx6 s GLU 33 Ca -0.14 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1wx6 s GLU 33 Cb 0.26 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 1wx6 s GLU 33 CO 0.77 -0.95 0.07 -0.51 0.02 0.00 0.00 175.26 174.67 1wx6 s LEU 34 N -4.95 3.85 -0.13 1.80 1.43 -1.19 -4.46 118.68 115.04 1wx6 s LEU 34 Ca 0.59 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 1wx6 s LEU 34 Cb -0.10 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1wx6 s LEU 34 CO 0.41 0.25 -0.15 0.54 0.23 0.00 0.00 176.35 177.63 1wx6 s ASN 35 N -1.84 3.79 0.36 2.29 2.20 -1.26 -3.63 114.94 116.86 1wx6 s ASN 35 Ca 0.24 -0.39 -0.11 0.00 -0.94 0.00 0.00 52.86 51.66 1wx6 s ASN 35 Cb -0.12 -1.57 0.03 0.00 -2.00 0.00 0.00 41.25 37.59 1wx6 s ASN 35 CO 0.15 0.15 0.66 0.72 -2.94 0.00 0.00 177.10 175.84 1wx6 s PHE 36 N 0.41 0.48 0.33 1.54 -0.71 -0.02 -4.91 117.98 115.10 1wx6 s PHE 36 Ca -0.12 -0.96 0.08 0.00 -1.04 0.00 0.00 56.93 54.89 1wx6 s PHE 36 Cb -0.16 0.46 -0.06 0.00 -1.21 0.00 0.00 43.02 42.04 1wx6 s PHE 36 CO 0.06 -1.37 -0.08 -1.21 -1.34 0.00 0.00 175.22 171.28 1wx6 s GLU 37 N -2.72 1.76 -0.06 1.99 8.01 -1.26 -2.57 118.70 123.86 1wx6 s GLU 37 Ca 0.21 -1.91 -0.32 0.00 0.01 0.00 0.00 54.97 52.97 1wx6 s GLU 37 Cb -0.03 -1.54 -0.10 0.00 -4.31 0.00 0.00 34.13 28.15 1wx6 s GLU 37 CO 0.15 0.09 1.98 1.17 0.01 0.00 0.00 175.26 178.66 1wx6 n LYS 38 N -0.75 2.44 -0.93 1.61 4.81 -1.26 -2.80 118.16 121.28 1wx6 n LYS 38 Ca -0.05 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1wx6 n LYS 38 Cb 0.64 -2.88 0.00 0.00 0.02 0.00 0.00 35.03 32.80 1wx6 n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wx6 n GLY 39 N 4.73 0.64 3.52 3.14 0.00 -0.32 -4.96 105.19 111.93 1wx6 n GLY 39 Ca 0.23 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.47 1.94 -0.09 1.61 2.56 -1.12 -4.90 118.70 117.22 1wx6 s GLU 40 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 54.97 53.88 1wx6 s GLU 40 Cb 0.00 -2.19 -0.02 0.00 2.00 0.00 0.00 34.13 33.92 1wx6 s GLU 40 CO 0.00 0.50 -0.12 0.99 -0.56 0.00 0.00 175.26 176.06 1wx6 s THR 41 N -1.14 3.17 0.25 -1.70 2.01 -1.26 0.31 115.64 117.29 1wx6 s THR 41 Ca 0.19 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1wx6 s THR 41 Cb -0.11 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 1wx6 s THR 41 CO 0.11 0.56 0.14 0.23 -0.69 0.00 0.00 174.62 174.96 1wx6 n MET 42 N 2.90 0.52 -3.80 4.92 2.81 0.40 -4.74 117.12 120.13 1wx6 n MET 42 Ca -0.18 -2.29 -0.17 0.00 -1.81 0.00 0.00 57.70 53.25 1wx6 n MET 42 Cb 0.52 1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 34.37 1wx6 n MET 42 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1wx6 s GLU 43 N -2.99 0.09 -0.31 0.03 2.02 -1.25 -1.97 118.70 114.32 1wx6 s GLU 43 Ca 0.19 0.19 -0.29 0.00 0.02 0.00 0.00 54.97 55.08 1wx6 s GLU 43 Cb 0.01 -0.41 -0.01 0.00 0.10 0.00 0.00 34.13 33.82 1wx6 s GLU 43 CO 0.14 -0.20 1.55 0.08 0.02 0.00 0.00 175.26 176.85 1wx6 s VAL 44 N 1.33 3.77 -0.11 2.63 1.01 -0.19 -3.10 120.40 125.75 1wx6 s VAL 44 Ca -0.06 0.83 0.08 0.00 0.00 0.00 0.00 61.98 62.84 1wx6 s VAL 44 Cb -0.13 -3.89 -0.24 0.00 0.00 0.00 0.00 36.38 32.12 1wx6 s VAL 44 CO -0.03 -0.47 0.42 2.30 0.00 0.00 0.00 175.10 177.32 1wx6 n ILE 45 N 6.78 1.60 -3.50 2.22 -5.35 -0.73 0.22 119.36 120.60 1wx6 n ILE 45 Ca 0.18 -0.76 -0.14 0.00 -0.27 0.00 0.00 62.75 61.77 1wx6 n ILE 45 Cb 0.46 -1.12 -0.04 0.00 -1.74 0.00 0.00 39.64 37.21 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 1.15 -0.09 6.28 2.56 -1.15 -4.28 118.70 120.61 1wx6 s GLU 46 Ca -0.12 -0.28 0.01 0.00 0.00 0.00 0.00 54.97 54.59 1wx6 s GLU 46 Cb 0.07 0.53 0.02 0.00 2.00 0.00 0.00 34.13 36.75 1wx6 s GLU 46 CO 0.80 -0.45 -0.11 0.15 -0.56 0.00 0.00 175.26 175.08 1wx6 s LYS 47 N -2.89 1.73 1.15 4.30 1.02 -1.26 -1.87 119.74 121.92 1wx6 s LYS 47 Ca -0.03 -0.39 -0.17 0.00 0.02 0.00 0.00 55.97 55.40 1wx6 s LYS 47 Cb -0.00 -1.54 0.26 0.00 -0.52 0.00 0.00 37.83 36.03 1wx6 s LYS 47 CO -0.05 -0.08 1.10 -1.25 -0.92 0.00 0.00 175.35 174.15 1wx6 s PRO 48 N 1.04 -0.77 0.01 -1.68 0.04 -1.26 -5.02 135.00 127.35 1wx6 s PRO 48 Ca -0.07 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1wx6 s PRO 48 Cb -0.15 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1wx6 s PRO 48 CO -0.01 -3.45 0.00 0.39 0.04 0.00 0.00 177.00 173.97 1wx6 n GLU 49 N -4.60 0.00 0.08 4.56 1.02 -1.26 -4.62 120.64 115.82 1wx6 n GLU 49 Ca 0.11 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.37 1wx6 n GLU 49 Cb 0.59 -0.48 0.61 0.00 -0.02 0.00 0.00 31.44 32.14 1wx6 n GLU 49 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1wx6 h ASN 50 N 0.00 0.11 -3.12 1.62 2.35 -2.00 -3.29 115.58 111.26 1wx6 h ASN 50 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1wx6 h ASN 50 Cb 0.90 -0.02 -0.40 0.00 0.05 0.00 0.00 38.32 38.84 1wx6 h ASN 50 CO 0.00 0.07 -0.76 -1.81 -1.65 0.00 0.00 177.43 173.29 1wx6 s ASP 51 N -6.59 3.39 0.18 5.81 1.01 -1.26 -4.94 116.67 114.26 1wx6 s ASP 51 Ca -0.06 -3.01 0.21 0.00 0.71 0.00 0.00 52.55 50.40 1wx6 s ASP 51 Cb 0.18 -1.02 0.87 0.00 1.01 0.00 0.00 42.92 43.96 1wx6 s ASP 51 CO 0.71 -0.20 1.63 -0.81 0.21 0.00 0.00 175.17 176.71 1wx6 n PRO 52 N 3.02 0.14 0.13 8.23 -0.04 -1.24 -2.24 135.00 142.99 1wx6 n PRO 52 Ca 0.16 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 1wx6 n PRO 52 Cb 0.38 -1.76 0.42 0.00 -0.04 0.00 0.00 33.50 32.49 1wx6 n PRO 52 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wx6 h GLU 53 N 0.00 0.00 -6.64 0.54 4.39 -1.93 -3.45 114.58 107.49 1wx6 h GLU 53 Ca 0.00 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.03 1wx6 h GLU 53 Cb 0.33 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.80 1wx6 h GLU 53 CO 0.00 0.00 -0.77 -1.58 -1.16 0.00 0.00 179.01 175.50 1wx6 s TRP 54 N -3.19 2.63 0.08 4.33 0.52 -0.95 -2.91 118.94 119.44 1wx6 s TRP 54 Ca 0.08 -0.22 0.05 0.00 0.02 0.00 0.00 56.10 56.04 1wx6 s TRP 54 Cb 0.11 -1.38 -0.03 0.00 -1.15 0.00 0.00 33.47 31.02 1wx6 s TRP 54 CO 0.55 0.41 -0.13 -1.58 0.02 0.00 0.00 176.95 176.22 1wx6 s TRP 55 N -1.20 1.18 -0.36 -1.98 0.51 0.62 -4.42 118.94 113.30 1wx6 s TRP 55 Ca 0.20 -0.49 -0.14 0.00 -2.12 0.00 0.00 56.10 53.54 1wx6 s TRP 55 Cb -0.11 -0.66 -0.01 0.00 -0.81 0.00 0.00 33.47 31.89 1wx6 s TRP 55 CO 0.12 0.05 0.31 0.21 -0.51 0.00 0.00 176.95 177.13 1wx6 s LYS 56 N -1.94 3.40 0.31 4.98 2.20 -0.78 -0.27 119.74 127.64 1wx6 s LYS 56 Ca -0.01 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1wx6 s LYS 56 Cb -0.09 -3.85 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1wx6 s LYS 56 CO 0.02 -0.56 0.13 0.00 -0.36 0.00 0.00 175.35 174.58 1wx6 s LYS 58 N -3.86 1.94 0.49 0.00 2.20 -1.18 -2.73 119.74 116.60 1wx6 s LYS 58 Ca 0.34 -0.45 -0.08 0.00 -0.36 0.00 0.00 55.97 55.43 1wx6 s LYS 58 Cb 0.06 -1.74 0.11 0.00 -1.51 0.00 0.00 37.83 34.75 1wx6 s LYS 58 CO 0.16 -0.12 0.66 0.27 -0.36 0.00 0.00 175.35 175.96 1wx6 n ASN 59 N 4.40 0.10 -0.03 1.43 0.23 -0.96 -3.96 115.26 116.46 1wx6 n ASN 59 Ca -0.18 -1.27 0.04 0.00 -0.53 0.00 0.00 54.58 52.64 1wx6 n ASN 59 Cb 0.51 -0.50 0.40 0.00 -2.08 0.00 0.00 39.78 38.11 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 -1.79 1.68 0.00 -2.53 0.00 -1.91 0.17 119.26 114.88 1wx6 h ALA 60 Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wx6 h ALA 60 Cb 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wx6 h ALA 60 CO 0.16 0.29 0.00 0.54 0.00 0.00 0.00 179.25 180.24 1wx6 n ARG 61 N -4.47 0.33 -1.10 0.00 5.12 -1.26 -4.81 116.66 110.48 1wx6 n ARG 61 Ca 0.04 0.06 -0.04 0.00 -1.93 0.00 0.00 57.85 55.99 1wx6 n ARG 61 Cb 0.06 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.85 1wx6 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wx6 n GLY 62 N -0.16 0.61 3.81 -0.13 0.00 0.05 -5.00 105.19 104.37 1wx6 n GLY 62 Ca 0.09 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.61 3.98 0.01 1.61 -0.21 -1.26 -4.84 119.66 117.34 1wx6 s GLN 63 Ca 0.00 0.33 -0.00 0.00 0.02 0.00 0.00 55.36 55.71 1wx6 s GLN 63 Cb 0.00 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 1wx6 s GLN 63 CO 0.00 0.57 0.10 0.14 -2.12 0.00 0.00 175.29 173.98 1wx6 s VAL 64 N -0.65 4.80 0.08 1.09 -7.23 -1.26 -2.27 120.40 114.96 1wx6 s VAL 64 Ca 0.22 -0.42 -0.06 0.00 -1.81 0.00 0.00 61.98 59.91 1wx6 s VAL 64 Cb -0.16 -3.22 0.02 0.00 0.56 0.00 0.00 36.38 33.58 1wx6 s VAL 64 CO 0.11 0.31 0.29 0.61 -0.31 0.00 0.00 175.10 176.11 1wx6 n GLY 65 N 1.04 1.29 3.50 2.32 0.00 -1.10 -4.87 105.19 107.36 1wx6 n GLY 65 Ca -0.12 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 4.73 -0.11 0.99 1.43 0.12 -3.18 118.68 122.66 1wx6 s LEU 66 Ca 0.06 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1wx6 s LEU 66 Cb -0.01 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 1wx6 s LEU 66 CO 0.02 -0.67 -0.10 0.54 0.23 0.00 0.00 176.35 176.37 1wx6 s VAL 67 N 2.41 3.35 -0.09 -1.59 0.11 0.63 -3.19 120.40 122.04 1wx6 s VAL 67 Ca 0.16 -0.58 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 1wx6 s VAL 67 Cb -0.16 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 1wx6 s VAL 67 CO 0.16 0.54 1.52 -2.16 -3.33 0.00 0.00 175.10 171.83 1wx6 s PRO 68 N -0.07 4.20 0.31 1.54 0.04 -1.26 -0.28 135.00 139.48 1wx6 s PRO 68 Ca -0.01 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.04 1wx6 s PRO 68 Cb -0.14 -3.90 0.51 0.00 0.04 0.00 0.00 34.50 31.02 1wx6 s PRO 68 CO 0.03 -0.79 1.95 1.57 0.04 0.00 0.00 177.00 179.80 1wx6 h LYS 69 N 9.04 1.01 0.00 4.56 2.10 -1.87 -0.23 116.57 131.18 1wx6 h LYS 69 Ca -0.35 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1wx6 h LYS 69 Cb 1.15 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1wx6 h LYS 69 CO 0.96 0.67 0.11 0.09 -2.00 0.00 0.00 179.45 179.27 1wx6 n ASN 70 N -4.45 0.32 -0.06 7.07 3.02 -1.26 -0.26 115.26 119.64 1wx6 n ASN 70 Ca 0.11 0.59 -0.04 0.00 -0.03 0.00 0.00 54.58 55.21 1wx6 n ASN 70 Cb 0.11 -0.61 -0.16 0.00 -0.61 0.00 0.00 39.78 38.51 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 -1.92 0.12 -3.72 3.10 4.02 -0.11 -4.99 117.16 113.65 1wx6 n TYR 71 Ca -0.01 0.04 -0.19 0.00 -0.01 0.00 0.00 57.90 57.74 1wx6 n TYR 71 Cb 0.13 -0.89 0.00 0.00 -0.02 0.00 0.00 39.34 38.56 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 -2.65 0.00 -3.67 -0.72 0.24 0.65 -1.68 118.33 110.50 1wx6 n VAL 72 Ca -0.23 -1.58 -0.11 0.00 -2.04 0.00 0.00 64.34 60.38 1wx6 n VAL 72 Cb 0.98 -0.19 -0.08 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.97 -0.00 -0.06 3.34 -7.23 -0.73 -4.88 120.40 108.87 1wx6 s VAL 73 Ca 0.24 0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.13 1wx6 s VAL 73 Cb -0.02 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 1wx6 s VAL 73 CO 0.16 0.01 1.33 -0.69 -0.31 0.00 0.00 175.10 175.59 1wx6 s VAL 74 N 0.89 4.00 -0.17 1.32 1.01 -1.26 -1.62 120.40 124.58 1wx6 s VAL 74 Ca -0.05 1.31 -0.17 0.00 0.00 0.00 0.00 61.98 63.08 1wx6 s VAL 74 Cb -0.05 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1wx6 s VAL 74 CO -0.08 -0.04 -0.33 0.18 0.00 0.00 0.00 175.10 174.83 1wx6 n LEU 75 N 5.80 1.86 -4.58 3.92 4.77 -0.16 -4.99 117.00 123.62 1wx6 n LEU 75 Ca 0.13 0.32 -0.27 0.00 -0.03 0.00 0.00 56.01 56.16 1wx6 n LEU 75 Cb 0.45 -0.72 -0.09 0.00 -2.33 0.00 0.00 43.42 40.72 1wx6 n LEU 75 CO 0.57 -0.29 -0.25 -0.94 -1.33 0.00 0.00 177.39 175.16 1wx6 s SER 76 N -5.86 3.21 -0.71 -1.43 1.04 -1.21 -5.02 113.70 103.71 1wx6 s SER 76 Ca -0.27 -1.54 0.05 0.00 0.48 0.00 0.00 55.95 54.66 1wx6 s SER 76 Cb 0.04 0.19 0.22 0.00 0.10 0.00 0.00 66.02 66.57 1wx6 s SER 76 CO 0.41 -0.74 0.68 -0.90 0.98 0.00 0.00 173.24 173.66 1wx6 n ASP 77 N -1.07 3.62 0.00 7.02 5.75 -1.26 -2.39 116.55 128.21 1wx6 n ASP 77 Ca -0.08 -3.33 0.00 0.00 -0.01 0.00 0.00 54.79 51.37 1wx6 n ASP 77 Cb 0.66 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1wx6 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wx6 n GLY 78 N 1.43 4.22 0.00 6.12 0.00 -1.22 -4.88 105.19 110.86 1wx6 n GLY 78 Ca 0.25 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.80 1wx6 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wx6 n PRO 79 N -1.98 0.49 -1.31 1.61 -0.04 -1.26 -4.56 135.00 127.94 1wx6 n PRO 79 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1wx6 n PRO 79 Cb 0.00 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 31.87 1wx6 n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wx6 n ALA 80 N -0.98 0.56 -2.83 0.55 0.00 -1.26 -4.87 120.51 111.68 1wx6 n ALA 80 Ca 0.11 -2.44 -0.21 0.00 0.00 0.00 0.00 53.44 50.90 1wx6 n ALA 80 Cb 0.05 -3.47 -0.02 0.00 0.00 0.00 0.00 19.45 16.01 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 11.95 4.20 -0.87 0.00 2.01 -1.26 -5.04 118.68 129.67 1wx6 s LEU 81 Ca 0.77 0.14 -0.01 0.00 0.01 0.00 0.00 54.13 55.03 1wx6 s LEU 81 Cb 0.01 -2.96 0.21 0.00 0.01 0.00 0.00 46.19 43.47 1wx6 s LEU 81 CO 0.23 -0.17 0.74 -2.28 1.01 0.00 0.00 176.35 175.88 1wx6 s HIS 82 N -2.09 3.85 -0.00 0.29 2.46 -1.26 -4.88 115.29 113.66 1wx6 s HIS 82 Ca 0.37 -3.03 0.32 0.00 0.47 0.00 0.00 55.06 53.19 1wx6 s HIS 82 Cb -0.09 -3.21 1.33 0.00 -0.13 0.00 0.00 32.58 30.48 1wx6 s HIS 82 CO 0.31 -0.73 1.94 -1.00 -2.47 0.00 0.00 174.74 172.79 1wx6 h PRO 83 N 6.04 0.00 -0.91 2.88 0.13 -1.91 -3.21 132.00 135.02 1wx6 h PRO 83 Ca 0.15 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.52 1wx6 h PRO 83 Cb 0.82 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.81 1wx6 h PRO 83 CO 0.84 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 178.98 1wx6 h ALA 84 N 2.06 1.48 -0.03 -0.56 0.00 -1.89 -0.67 119.26 119.64 1wx6 h ALA 84 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1wx6 h ALA 84 Cb 0.46 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1wx6 h ALA 84 CO 0.00 -0.42 -0.05 0.45 0.00 0.00 0.00 179.25 179.23 1wx6 h HIS 85 N 0.33 0.10 -0.91 0.00 3.86 -1.99 -3.15 115.15 113.39 1wx6 h HIS 85 Ca 0.59 -0.03 -0.46 0.00 -1.16 0.00 0.00 60.37 59.30 1wx6 h HIS 85 Cb 1.18 -0.02 -0.08 0.00 1.06 0.00 0.00 27.41 29.56 1wx6 h HIS 85 CO -0.15 0.61 1.20 0.45 0.86 0.00 0.00 177.93 180.89 1wx6 s SER 86 N -5.86 5.89 -0.31 2.45 0.15 -0.26 -4.37 113.70 111.38 1wx6 s SER 86 Ca -0.16 -1.19 -0.09 0.00 0.70 0.00 0.00 55.95 55.22 1wx6 s SER 86 Cb 0.02 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1wx6 s SER 86 CO 0.70 -2.07 0.25 0.61 1.20 0.00 0.00 173.24 173.92 1wx6 n GLY 87 N 6.76 -2.34 0.00 9.45 0.00 -1.26 -4.81 105.19 112.99 1wx6 n GLY 87 Ca 0.37 0.71 0.06 0.00 0.00 0.00 0.00 46.02 47.16 1wx6 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wx6 n PRO 88 N 0.40 0.49 -0.11 1.61 -0.04 -1.19 -3.12 135.00 133.04 1wx6 n PRO 88 Ca 0.03 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 1wx6 n PRO 88 Cb 0.28 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 1wx6 n PRO 88 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wx6 n SER 89 N -0.86 1.90 -4.09 3.54 7.64 -1.26 -4.93 113.62 115.55 1wx6 n SER 89 Ca 0.08 0.41 -0.31 0.00 1.01 0.00 0.00 58.87 60.06 1wx6 n SER 89 Cb 0.04 -0.86 -0.16 0.00 -1.01 0.00 0.00 64.21 62.21 1wx6 n SER 89 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wx6 s SER 90 N -6.78 2.84 0.00 6.43 0.01 -1.18 -5.23 113.70 109.79 1wx6 s SER 90 Ca -0.31 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1wx6 s SER 90 Cb 0.08 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 65.02 1wx6 s SER 90 CO 0.47 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.75