#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 3.98 -0.14 1.61 0.01 -1.26 -5.03 113.70 112.87 1wx6 s SER 2 Ca 0.00 -0.24 -0.17 0.00 1.31 0.00 0.00 55.95 56.85 1wx6 s SER 2 Cb 0.00 -1.00 -0.24 0.00 0.21 0.00 0.00 66.02 64.99 1wx6 s SER 2 CO 0.00 0.30 0.44 0.77 0.41 0.00 0.00 173.24 175.17 1wx6 h SER 3 N 5.65 0.24 0.00 2.44 4.64 -2.09 -3.50 113.55 120.93 1wx6 h SER 3 Ca -0.42 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.13 1wx6 h SER 3 Cb 1.17 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1wx6 h SER 3 CO 0.51 1.56 0.00 0.61 -0.87 0.00 0.00 176.83 178.65 1wx6 n GLY 4 N 1.67 1.60 0.06 -0.77 0.00 -1.26 -5.04 105.19 101.44 1wx6 n GLY 4 Ca -0.27 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1wx6 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wx6 h SER 5 N 0.00 -0.02 -3.59 1.61 4.64 -2.04 -3.39 113.55 110.75 1wx6 h SER 5 Ca 0.00 -0.15 -0.69 0.00 -0.47 0.00 0.00 61.79 60.48 1wx6 h SER 5 Cb 0.00 0.01 -0.34 0.00 -0.31 0.00 0.00 62.40 61.76 1wx6 h SER 5 CO 0.00 0.14 -0.60 -0.55 -0.87 0.00 0.00 176.83 174.95 1wx6 s SER 6 N -5.32 5.15 0.00 4.97 0.15 -1.26 -5.05 113.70 112.33 1wx6 s SER 6 Ca -0.14 -1.72 0.00 0.00 0.70 0.00 0.00 55.95 54.79 1wx6 s SER 6 Cb 0.05 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1wx6 s SER 6 CO 0.66 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1wx6 n GLY 7 N 4.62 4.07 2.71 9.45 0.00 -1.26 -5.13 105.19 119.65 1wx6 n GLY 7 Ca -0.06 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1wx6 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wx6 s LEU 8 N 0.00 2.50 -0.72 0.99 1.02 -1.26 -5.06 118.68 116.16 1wx6 s LEU 8 Ca 0.00 -2.32 -0.06 0.00 0.02 0.00 0.00 54.13 51.77 1wx6 s LEU 8 Cb 0.00 -0.96 0.19 0.00 0.02 0.00 0.00 46.19 45.44 1wx6 s LEU 8 CO 0.00 -0.31 0.58 -0.55 0.02 0.00 0.00 176.35 176.09 1wx6 s SER 9 N 0.75 5.79 -0.56 2.29 0.15 -1.26 -5.03 113.70 115.83 1wx6 s SER 9 Ca 0.15 -2.89 -0.27 0.00 0.70 0.00 0.00 55.95 53.65 1wx6 s SER 9 Cb -0.22 -1.97 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1wx6 s SER 9 CO -0.06 -0.41 1.88 0.54 1.20 0.00 0.00 173.24 176.38 1wx6 s ASN 10 N 1.08 5.32 -0.18 5.45 4.22 -1.26 -4.94 114.94 124.62 1wx6 s ASN 10 Ca 0.18 0.52 -0.01 0.00 -2.14 0.00 0.00 52.86 51.42 1wx6 s ASN 10 Cb -0.16 -2.53 0.05 0.00 1.28 0.00 0.00 41.25 39.89 1wx6 s ASN 10 CO -0.06 -2.31 -0.04 -0.83 -2.04 0.00 0.00 177.10 171.83 1wx6 s GLY 11 N 8.02 0.97 -0.74 0.45 0.00 -1.26 -5.08 107.32 109.67 1wx6 s GLY 11 Ca 0.71 -0.90 -0.22 0.00 0.00 0.00 0.00 44.72 44.31 1wx6 s GLY 11 CO 0.23 1.03 1.04 1.62 0.00 0.00 0.00 173.10 177.01 1wx6 s GLN 12 N 1.63 3.25 0.00 2.90 2.00 -1.26 -4.09 119.66 124.09 1wx6 s GLN 12 Ca -0.01 -1.05 0.00 0.00 -2.00 0.00 0.00 55.36 52.30 1wx6 s GLN 12 Cb -0.16 -4.45 0.00 0.00 0.80 0.00 0.00 33.01 29.20 1wx6 s GLN 12 CO -0.07 -1.84 0.00 0.41 -0.50 0.00 0.00 175.29 173.29 1wx6 n GLY 13 N 5.45 0.93 2.96 2.59 0.00 -1.26 -5.12 105.19 110.75 1wx6 n GLY 13 Ca 0.05 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1wx6 n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wx6 s SER 14 N 0.00 0.51 0.27 1.61 1.04 -1.26 -5.01 113.70 110.86 1wx6 s SER 14 Ca 0.00 0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.91 1wx6 s SER 14 Cb 0.00 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 1wx6 s SER 14 CO 0.00 -0.26 0.21 0.00 0.98 0.00 0.00 173.24 174.18 1wx6 s ARG 15 N 2.41 1.51 -0.32 4.02 1.70 -1.26 -4.93 118.95 122.09 1wx6 s ARG 15 Ca 0.03 -1.85 -0.29 0.00 -0.47 0.00 0.00 55.73 53.15 1wx6 s ARG 15 Cb -0.13 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 1wx6 s ARG 15 CO -0.09 -0.54 1.65 0.08 -1.08 0.00 0.00 175.30 175.32 1wx6 s VAL 16 N -3.76 3.65 -0.10 4.99 1.01 -1.26 -4.06 120.40 120.86 1wx6 s VAL 16 Ca 0.40 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 63.01 1wx6 s VAL 16 Cb 0.04 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1wx6 s VAL 16 CO 0.21 -0.46 -0.11 -0.07 0.00 0.00 0.00 175.10 174.67 1wx6 h LEU 17 N 12.72 0.00 -7.42 3.92 3.38 -0.70 -3.43 115.31 123.78 1wx6 h LEU 17 Ca -0.32 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.51 1wx6 h LEU 17 Cb 1.15 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.66 1wx6 h LEU 17 CO 1.03 0.55 -0.32 -1.00 0.09 0.00 0.00 178.44 178.79 1wx6 s HIS 18 N -1.85 -0.32 -0.18 1.13 3.76 -1.25 -2.51 115.29 114.06 1wx6 s HIS 18 Ca -0.09 0.76 -0.23 0.00 -0.15 0.00 0.00 55.06 55.35 1wx6 s HIS 18 Cb 0.01 0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.80 1wx6 s HIS 18 CO 0.13 -0.22 0.73 0.08 -0.85 0.00 0.00 174.74 174.62 1wx6 s VAL 19 N -0.12 4.95 0.12 -0.90 1.01 -0.62 -1.02 120.40 123.82 1wx6 s VAL 19 Ca -0.03 1.41 0.10 0.00 0.00 0.00 0.00 61.98 63.47 1wx6 s VAL 19 Cb -0.03 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1wx6 s VAL 19 CO 0.01 0.07 -0.25 0.68 0.00 0.00 0.00 175.10 175.61 1wx6 s VAL 20 N 2.02 2.11 -0.03 2.92 -7.23 -1.00 -0.93 120.40 118.27 1wx6 s VAL 20 Ca 0.34 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1wx6 s VAL 20 Cb -0.16 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 1wx6 s VAL 20 CO 0.11 0.05 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.25 1wx6 s GLN 21 N -2.02 2.46 -0.31 4.82 0.74 -0.07 -1.55 119.66 123.73 1wx6 s GLN 21 Ca 0.12 -0.73 -0.23 0.00 0.05 0.00 0.00 55.36 54.57 1wx6 s GLN 21 Cb -0.10 -2.39 0.00 0.00 1.10 0.00 0.00 33.01 31.62 1wx6 s GLN 21 CO 0.06 0.61 0.76 0.95 -0.55 0.00 0.00 175.29 177.11 1wx6 s THR 22 N -0.83 4.81 0.05 -0.34 -4.23 -0.48 -1.21 115.64 113.41 1wx6 s THR 22 Ca 0.13 1.08 -0.15 0.00 -1.18 0.00 0.00 61.69 61.57 1wx6 s THR 22 Cb -0.11 -4.13 -0.29 0.00 1.34 0.00 0.00 72.50 69.31 1wx6 s THR 22 CO 0.03 -0.26 1.09 -0.07 -0.54 0.00 0.00 174.62 174.87 1wx6 h LEU 23 N 9.45 0.86 -8.87 4.79 3.38 -1.46 0.14 115.31 123.60 1wx6 h LEU 23 Ca -0.25 -0.83 -0.69 0.00 0.09 0.00 0.00 57.88 56.20 1wx6 h LEU 23 Cb 1.10 -0.27 -0.24 0.00 0.09 0.00 0.00 40.66 41.34 1wx6 h LEU 23 CO 0.87 1.60 -0.85 -0.31 0.09 0.00 0.00 178.44 179.85 1wx6 s TYR 24 N -2.95 2.41 0.01 1.13 1.51 -1.24 -4.47 117.35 113.75 1wx6 s TYR 24 Ca -0.10 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 1wx6 s TYR 24 Cb 0.05 -1.39 -0.06 0.00 -0.11 0.00 0.00 41.96 40.46 1wx6 s TYR 24 CO 0.93 0.22 1.44 -1.25 -1.11 0.00 0.00 175.55 175.79 1wx6 s PRO 25 N -1.52 4.27 -0.30 -1.71 0.04 -1.26 -4.62 135.00 129.90 1wx6 s PRO 25 Ca 0.14 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.18 1wx6 s PRO 25 Cb -0.10 -3.58 0.10 0.00 0.04 0.00 0.00 34.50 30.95 1wx6 s PRO 25 CO 0.04 -0.61 0.10 0.12 0.04 0.00 0.00 177.00 176.70 1wx6 s PHE 26 N 2.47 1.32 -0.22 0.56 2.19 -1.19 -4.91 117.98 118.20 1wx6 s PHE 26 Ca 0.65 -1.47 -0.07 0.00 0.33 0.00 0.00 56.93 56.38 1wx6 s PHE 26 Cb -0.33 -1.47 -0.03 0.00 -1.31 0.00 0.00 43.02 39.88 1wx6 s PHE 26 CO 0.27 -0.85 0.05 0.45 1.83 0.00 0.00 175.22 176.97 1wx6 s SER 27 N 1.75 5.22 0.46 6.13 0.15 -1.25 -1.37 113.70 124.79 1wx6 s SER 27 Ca 0.09 -0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.68 1wx6 s SER 27 Cb -0.17 -1.91 0.06 0.00 -1.71 0.00 0.00 66.02 62.29 1wx6 s SER 27 CO -0.27 0.05 0.51 -1.20 1.20 0.00 0.00 173.24 173.52 1wx6 n SER 28 N 4.38 2.03 0.00 5.45 7.64 -1.24 -4.97 113.62 126.91 1wx6 n SER 28 Ca -0.16 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.34 1wx6 n SER 28 Cb 0.52 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1wx6 n SER 28 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1wx6 n VAL 29 N -1.81 0.00 -2.63 0.44 0.31 -1.26 -4.81 118.33 108.57 1wx6 n VAL 29 Ca 0.07 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.18 1wx6 n VAL 29 Cb 0.49 -0.71 0.04 0.00 -0.91 0.00 0.00 33.84 32.75 1wx6 n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1wx6 s THR 30 N -1.79 2.73 0.12 2.52 -1.32 -1.26 -5.02 115.64 111.62 1wx6 s THR 30 Ca 0.00 -0.63 -0.03 0.00 -1.21 0.00 0.00 61.69 59.82 1wx6 s THR 30 Cb 0.00 -3.03 -0.21 0.00 -1.51 0.00 0.00 72.50 67.75 1wx6 s THR 30 CO 0.00 -0.02 1.27 -0.33 -2.21 0.00 0.00 174.62 173.33 1wx6 h GLU 31 N 0.05 0.31 -1.10 7.08 4.39 -1.98 -3.23 114.58 120.11 1wx6 h GLU 31 Ca -0.42 -0.39 0.30 0.00 0.34 0.00 0.00 59.36 59.19 1wx6 h GLU 31 Cb 1.29 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 30.00 1wx6 h GLU 31 CO 0.53 1.11 0.75 0.93 -1.16 0.00 0.00 179.01 181.16 1wx6 h GLU 32 N 0.15 0.17 -6.08 2.33 5.08 -1.95 -3.40 114.58 110.88 1wx6 h GLU 32 Ca -0.09 -0.01 -0.52 0.00 -1.00 0.00 0.00 59.36 57.75 1wx6 h GLU 32 Cb 1.69 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.85 1wx6 h GLU 32 CO 0.17 0.12 -0.42 -1.21 -1.00 0.00 0.00 179.01 176.67 1wx6 s GLU 33 N -5.20 2.43 0.08 2.33 2.02 -1.22 0.58 118.70 119.72 1wx6 s GLU 33 Ca -0.07 -1.64 0.06 0.00 0.02 0.00 0.00 54.97 53.34 1wx6 s GLU 33 Cb 0.24 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 1wx6 s GLU 33 CO 0.80 -0.17 -0.07 -0.51 0.02 0.00 0.00 175.26 175.34 1wx6 s LEU 34 N -4.06 3.18 -0.19 1.80 1.43 -1.09 -4.36 118.68 115.40 1wx6 s LEU 34 Ca 0.46 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1wx6 s LEU 34 Cb -0.01 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1wx6 s LEU 34 CO 0.26 0.19 -0.15 0.54 0.23 0.00 0.00 176.35 177.43 1wx6 s ASN 35 N -2.10 3.52 0.35 2.29 2.20 -1.26 -3.62 114.94 116.32 1wx6 s ASN 35 Ca 0.22 -0.55 0.00 0.00 -0.94 0.00 0.00 52.86 51.59 1wx6 s ASN 35 Cb -0.11 -1.56 -0.00 0.00 -2.00 0.00 0.00 41.25 37.57 1wx6 s ASN 35 CO 0.14 0.01 0.44 0.72 -2.94 0.00 0.00 177.10 175.47 1wx6 s PHE 36 N 1.27 1.25 0.50 1.54 -0.12 -0.47 -4.91 117.98 117.04 1wx6 s PHE 36 Ca 0.04 -1.40 0.04 0.00 -0.05 0.00 0.00 56.93 55.56 1wx6 s PHE 36 Cb -0.14 -0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.02 1wx6 s PHE 36 CO -0.08 -1.10 0.19 -1.21 -0.05 0.00 0.00 175.22 172.97 1wx6 s GLU 37 N -3.05 2.21 -0.11 1.99 8.01 -1.26 -3.14 118.70 123.36 1wx6 s GLU 37 Ca 0.33 -2.12 -0.29 0.00 0.01 0.00 0.00 54.97 52.90 1wx6 s GLU 37 Cb -0.00 -1.85 -0.04 0.00 -4.31 0.00 0.00 34.13 27.93 1wx6 s GLU 37 CO 0.23 -0.38 1.51 0.21 0.01 0.00 0.00 175.26 176.84 1wx6 s LYS 38 N -4.02 4.17 0.00 1.61 2.20 -1.26 -3.05 119.74 119.38 1wx6 s LYS 38 Ca 0.26 1.96 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 1wx6 s LYS 38 Cb 0.01 -3.91 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 1wx6 s LYS 38 CO 0.15 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 1wx6 n GLY 39 N 3.99 0.97 3.62 5.54 0.00 0.50 -4.95 105.19 114.87 1wx6 n GLY 39 Ca 0.16 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.16 3.71 0.25 1.61 2.56 -1.17 -4.86 118.70 117.64 1wx6 s GLU 40 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 54.97 54.46 1wx6 s GLU 40 Cb 0.00 -3.07 -0.08 0.00 2.00 0.00 0.00 34.13 32.98 1wx6 s GLU 40 CO 0.00 0.37 0.63 0.99 -0.56 0.00 0.00 175.26 176.69 1wx6 s THR 41 N 0.07 4.81 0.24 -1.70 2.01 -1.26 -1.38 115.64 118.41 1wx6 s THR 41 Ca 0.04 0.74 -0.04 0.00 0.31 0.00 0.00 61.69 62.74 1wx6 s THR 41 Cb -0.13 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1wx6 s THR 41 CO 0.01 -0.06 0.38 0.23 -0.69 0.00 0.00 174.62 174.49 1wx6 n MET 42 N -0.06 0.55 -3.82 4.92 2.81 -0.60 -4.80 117.12 116.12 1wx6 n MET 42 Ca 0.01 -1.70 -0.13 0.00 -1.81 0.00 0.00 57.70 54.07 1wx6 n MET 42 Cb 0.52 1.76 -0.15 0.00 -0.71 0.00 0.00 33.22 34.65 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 -2.37 0.00 -0.46 0.03 2.02 -1.26 -2.36 118.70 114.30 1wx6 s GLU 43 Ca 0.16 0.11 -0.29 0.00 0.02 0.00 0.00 54.97 54.97 1wx6 s GLU 43 Cb -0.01 -0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.14 1wx6 s GLU 43 CO 0.12 -0.08 1.12 0.08 0.02 0.00 0.00 175.26 176.51 1wx6 s VAL 44 N 0.49 4.26 -0.04 2.63 1.01 -0.19 -2.93 120.40 125.62 1wx6 s VAL 44 Ca -0.04 1.24 0.09 0.00 0.00 0.00 0.00 61.98 63.27 1wx6 s VAL 44 Cb -0.06 -4.57 -0.24 0.00 0.00 0.00 0.00 36.38 31.51 1wx6 s VAL 44 CO -0.02 -0.94 0.66 0.16 0.00 0.00 0.00 175.10 174.96 1wx6 h ILE 45 N 6.17 0.87 -2.92 2.22 3.07 -1.46 0.30 117.51 125.76 1wx6 h ILE 45 Ca -0.23 -2.69 -0.03 0.00 1.55 0.00 0.00 64.86 63.46 1wx6 h ILE 45 Cb 1.06 2.47 -0.13 0.00 -0.27 0.00 0.00 36.82 39.95 1wx6 h ILE 45 CO 1.11 0.59 0.14 -0.70 -1.05 0.00 0.00 178.15 178.24 1wx6 s GLU 46 N -2.60 1.19 -0.07 0.16 2.12 -1.16 -4.09 118.70 114.25 1wx6 s GLU 46 Ca -0.07 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 54.87 1wx6 s GLU 46 Cb 0.08 0.55 0.02 0.00 0.26 0.00 0.00 34.13 35.03 1wx6 s GLU 46 CO 0.82 -0.49 -0.09 0.15 -0.54 0.00 0.00 175.26 175.10 1wx6 s LYS 47 N -3.32 1.48 1.16 4.30 1.02 -1.26 -1.78 119.74 121.34 1wx6 s LYS 47 Ca -0.01 -0.31 -0.18 0.00 0.02 0.00 0.00 55.97 55.50 1wx6 s LYS 47 Cb -0.00 -1.35 0.26 0.00 -0.52 0.00 0.00 37.83 36.22 1wx6 s LYS 47 CO -0.09 -0.08 1.11 -1.25 -0.92 0.00 0.00 175.35 174.12 1wx6 s PRO 48 N 1.02 -0.85 0.00 -1.68 0.04 -1.26 -5.01 135.00 127.25 1wx6 s PRO 48 Ca -0.08 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1wx6 s PRO 48 Cb -0.15 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1wx6 s PRO 48 CO -0.00 -3.49 0.00 0.39 0.04 0.00 0.00 177.00 173.93 1wx6 n GLU 49 N -4.63 0.00 0.01 4.56 1.02 -1.26 -4.64 120.64 115.70 1wx6 n GLU 49 Ca 0.11 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1wx6 n GLU 49 Cb 0.59 -0.72 0.29 0.00 -0.02 0.00 0.00 31.44 31.58 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 0.48 -3.22 1.62 4.21 -2.01 -3.34 115.58 113.32 1wx6 h ASN 50 Ca 0.00 -0.10 -0.62 0.00 1.21 0.00 0.00 56.30 56.79 1wx6 h ASN 50 Cb 0.94 -0.13 -0.41 0.00 -1.12 0.00 0.00 38.32 37.61 1wx6 h ASN 50 CO 0.00 0.58 -0.68 -1.81 -1.29 0.00 0.00 177.43 174.23 1wx6 s ASP 51 N -6.75 3.96 0.53 5.81 1.11 -1.26 -4.93 116.67 115.14 1wx6 s ASP 51 Ca -0.07 -3.40 0.33 0.00 0.18 0.00 0.00 52.55 49.59 1wx6 s ASP 51 Cb 0.15 -1.33 1.37 0.00 1.07 0.00 0.00 42.92 44.19 1wx6 s ASP 51 CO 0.77 -0.15 1.97 1.55 1.18 0.00 0.00 175.17 180.49 1wx6 h PRO 52 N 5.81 0.00 0.00 8.23 0.13 -1.82 -2.65 132.00 141.70 1wx6 h PRO 52 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1wx6 h PRO 52 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1wx6 h PRO 52 CO 0.61 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 1wx6 n GLU 53 N -3.01 0.04 -4.50 0.86 1.02 -1.26 -4.73 120.64 109.06 1wx6 n GLU 53 Ca 0.01 0.29 -0.25 0.00 -0.02 0.00 0.00 57.16 57.18 1wx6 n GLU 53 Cb 0.29 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 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 -3.06 2.39 0.00 -0.32 0.52 -1.00 -2.66 118.94 114.82 1wx6 s TRP 54 Ca 0.06 -0.44 -0.03 0.00 0.02 0.00 0.00 56.10 55.71 1wx6 s TRP 54 Cb 0.09 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 31.12 1wx6 s TRP 54 CO 0.28 0.61 0.05 -1.58 0.02 0.00 0.00 176.95 176.33 1wx6 s TRP 55 N -2.57 0.12 -0.36 -1.98 0.51 0.23 -4.57 118.94 110.32 1wx6 s TRP 55 Ca 0.32 -0.25 -0.18 0.00 -2.12 0.00 0.00 56.10 53.87 1wx6 s TRP 55 Cb 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 33.47 32.56 1wx6 s TRP 55 CO 0.16 -0.19 0.51 0.21 -0.51 0.00 0.00 176.95 177.13 1wx6 s LYS 56 N -1.12 3.54 0.29 4.98 2.20 -0.73 -0.31 119.74 128.59 1wx6 s LYS 56 Ca -0.12 -0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.26 1wx6 s LYS 56 Cb -0.07 -3.83 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 1wx6 s LYS 56 CO 0.00 -0.69 0.11 0.00 -0.36 0.00 0.00 175.35 174.41 1wx6 s LYS 58 N -3.95 2.50 0.52 0.00 2.20 -1.15 -2.67 119.74 117.20 1wx6 s LYS 58 Ca 0.36 -0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 55.23 1wx6 s LYS 58 Cb 0.07 -2.05 0.12 0.00 -1.51 0.00 0.00 37.83 34.46 1wx6 s LYS 58 CO 0.15 -0.00 0.71 0.27 -0.36 0.00 0.00 175.35 176.11 1wx6 n ASN 59 N 4.02 0.26 0.12 1.43 0.23 -0.94 -4.12 115.26 116.26 1wx6 n ASN 59 Ca -0.20 -1.38 0.06 0.00 -0.53 0.00 0.00 54.58 52.54 1wx6 n ASN 59 Cb 0.52 -0.52 0.53 0.00 -2.08 0.00 0.00 39.78 38.22 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 -1.51 1.86 0.00 -2.53 0.00 -1.91 0.54 119.26 115.71 1wx6 h ALA 60 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wx6 h ALA 60 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wx6 h ALA 60 CO 0.18 0.13 0.00 0.54 0.00 0.00 0.00 179.25 180.10 1wx6 n ARG 61 N -4.50 0.47 -1.10 0.00 1.74 -1.26 -4.82 116.66 107.18 1wx6 n ARG 61 Ca 0.01 0.04 -0.03 0.00 -0.77 0.00 0.00 57.85 57.09 1wx6 n ARG 61 Cb 0.09 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 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 0.15 0.60 3.81 -0.13 0.00 0.18 -5.00 105.19 104.80 1wx6 n GLY 62 Ca 0.12 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.59 3.96 0.02 1.61 -1.52 -1.26 -4.84 119.66 116.05 1wx6 s GLN 63 Ca 0.00 0.27 -0.00 0.00 -1.95 0.00 0.00 55.36 53.68 1wx6 s GLN 63 Cb 0.00 -3.28 -0.04 0.00 -0.22 0.00 0.00 33.01 29.47 1wx6 s GLN 63 CO 0.00 0.56 0.14 0.14 -0.25 0.00 0.00 175.29 175.88 1wx6 s VAL 64 N -0.59 5.05 0.10 1.09 -7.23 -1.26 -2.22 120.40 115.34 1wx6 s VAL 64 Ca 0.21 -0.40 -0.08 0.00 -1.81 0.00 0.00 61.98 59.90 1wx6 s VAL 64 Cb -0.15 -3.38 0.03 0.00 0.56 0.00 0.00 36.38 33.44 1wx6 s VAL 64 CO 0.10 0.26 0.41 0.61 -0.31 0.00 0.00 175.10 176.16 1wx6 n GLY 65 N 0.78 1.13 3.58 2.32 0.00 -1.09 -4.88 105.19 107.03 1wx6 n GLY 65 Ca -0.10 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 4.23 -0.05 0.99 1.43 0.20 -3.09 118.68 122.38 1wx6 s LEU 66 Ca 0.09 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 1wx6 s LEU 66 Cb -0.01 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 1wx6 s LEU 66 CO 0.03 -0.40 -0.25 0.54 0.23 0.00 0.00 176.35 176.50 1wx6 s VAL 67 N 2.35 2.00 -0.05 -1.59 0.11 0.58 -2.68 120.40 121.11 1wx6 s VAL 67 Ca 0.19 -1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 57.89 1wx6 s VAL 67 Cb -0.15 -1.68 -0.05 0.00 -1.53 0.00 0.00 36.38 32.97 1wx6 s VAL 67 CO 0.12 0.56 1.49 -2.16 -3.33 0.00 0.00 175.10 171.77 1wx6 s PRO 68 N -0.28 4.23 0.21 1.54 0.04 -1.26 0.78 135.00 140.26 1wx6 s PRO 68 Ca 0.00 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.98 1wx6 s PRO 68 Cb -0.12 -3.77 0.15 0.00 0.04 0.00 0.00 34.50 30.80 1wx6 s PRO 68 CO 0.02 -0.71 1.77 1.57 0.04 0.00 0.00 177.00 179.69 1wx6 h LYS 69 N 8.58 1.18 0.00 4.56 2.10 -1.82 -1.79 116.57 129.38 1wx6 h LYS 69 Ca -0.36 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 1wx6 h LYS 69 Cb 1.16 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1wx6 h LYS 69 CO 0.94 0.96 0.19 0.27 -2.00 0.00 0.00 179.45 179.80 1wx6 n ASN 70 N -4.29 0.40 -0.04 7.07 0.23 -1.26 0.13 115.26 117.50 1wx6 n ASN 70 Ca 0.07 0.62 -0.06 0.00 -0.53 0.00 0.00 54.58 54.68 1wx6 n ASN 70 Cb 0.19 -0.61 -0.14 0.00 -2.08 0.00 0.00 39.78 37.14 1wx6 n ASN 70 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1wx6 n TYR 71 N -2.10 0.47 -3.83 -2.53 4.02 -0.68 -4.98 117.16 107.54 1wx6 n TYR 71 Ca -0.01 0.17 -0.23 0.00 -0.01 0.00 0.00 57.90 57.81 1wx6 n TYR 71 Cb 0.21 -1.02 0.00 0.00 -0.02 0.00 0.00 39.34 38.51 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 -2.81 0.00 -3.69 -0.72 0.24 0.12 -1.11 118.33 110.35 1wx6 n VAL 72 Ca -0.21 -1.96 -0.12 0.00 -2.04 0.00 0.00 64.34 60.00 1wx6 n VAL 72 Cb 1.01 -0.08 -0.09 0.00 -1.47 0.00 0.00 33.84 33.21 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 -2.46 -0.00 -0.12 3.34 -7.23 -0.35 -4.87 120.40 108.71 1wx6 s VAL 73 Ca 0.29 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.18 1wx6 s VAL 73 Cb -0.02 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 1wx6 s VAL 73 CO 0.18 0.01 1.26 -0.69 -0.31 0.00 0.00 175.10 175.55 1wx6 s VAL 74 N 0.56 4.22 -0.20 1.32 1.01 -1.26 -0.89 120.40 125.16 1wx6 s VAL 74 Ca -0.02 1.51 -0.16 0.00 0.00 0.00 0.00 61.98 63.31 1wx6 s VAL 74 Cb -0.04 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1wx6 s VAL 74 CO -0.03 -0.09 -0.26 0.18 0.00 0.00 0.00 175.10 174.90 1wx6 n LEU 75 N 6.16 1.91 -4.17 3.92 4.77 -0.11 -4.98 117.00 124.49 1wx6 n LEU 75 Ca 0.13 0.40 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 1wx6 n LEU 75 Cb 0.45 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1wx6 n LEU 75 CO 0.56 -0.02 -0.41 -0.55 -1.33 0.00 0.00 177.39 175.64 1wx6 s SER 76 N -6.41 1.37 -0.51 -1.43 0.15 -1.22 -5.04 113.70 100.61 1wx6 s SER 76 Ca -0.29 -0.87 -0.15 0.00 0.70 0.00 0.00 55.95 55.35 1wx6 s SER 76 Cb 0.07 0.03 0.11 0.00 -1.71 0.00 0.00 66.02 64.52 1wx6 s SER 76 CO 0.42 -0.32 0.44 -1.81 1.20 0.00 0.00 173.24 173.18 1wx6 s ASP 77 N -2.62 6.09 0.00 5.45 1.11 -1.26 -1.59 116.67 123.84 1wx6 s ASP 77 Ca 0.07 -1.67 0.00 0.00 0.18 0.00 0.00 52.55 51.14 1wx6 s ASP 77 Cb -0.01 -2.17 0.00 0.00 1.07 0.00 0.00 42.92 41.82 1wx6 s ASP 77 CO -0.01 -0.76 0.00 0.61 1.18 0.00 0.00 175.17 176.18 1wx6 n GLY 78 N 5.18 2.56 0.00 0.21 0.00 -1.04 -4.70 105.19 107.39 1wx6 n GLY 78 Ca -0.13 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 44.00 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 0.70 0.49 -2.89 1.61 -0.04 -1.26 -4.61 135.00 129.00 1wx6 n PRO 79 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1wx6 n PRO 79 Cb 0.00 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.86 -0.52 -3.45 0.55 0.00 -1.26 -5.04 120.51 109.94 1wx6 n ALA 80 Ca 0.08 0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 1wx6 n ALA 80 Cb 0.04 -2.33 -0.15 0.00 0.00 0.00 0.00 19.45 17.01 1wx6 n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wx6 s LEU 81 N -3.41 2.52 0.47 0.00 2.96 -1.26 -5.10 118.68 114.85 1wx6 s LEU 81 Ca 0.21 -0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 53.42 1wx6 s LEU 81 Cb -0.09 -1.58 -0.07 0.00 0.50 0.00 0.00 46.19 44.95 1wx6 s LEU 81 CO 0.28 0.08 1.38 -1.00 -1.32 0.00 0.00 176.35 175.76 1wx6 s HIS 82 N 0.84 2.50 0.97 5.38 3.76 -1.26 -5.00 115.29 122.49 1wx6 s HIS 82 Ca -0.04 1.33 -0.12 0.00 -0.15 0.00 0.00 55.06 56.07 1wx6 s HIS 82 Cb -0.15 -3.82 0.17 0.00 1.11 0.00 0.00 32.58 29.89 1wx6 s HIS 82 CO -0.00 -2.72 1.09 -1.25 -0.85 0.00 0.00 174.74 171.01 1wx6 s PRO 83 N -2.54 0.64 -0.01 8.40 0.04 -1.26 -5.07 135.00 135.20 1wx6 s PRO 83 Ca 0.63 0.60 0.05 0.00 0.04 0.00 0.00 61.00 62.31 1wx6 s PRO 83 Cb -0.41 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1wx6 s PRO 83 CO 0.52 -2.61 -0.16 0.00 0.04 0.00 0.00 177.00 174.79 1wx6 s ALA 84 N -2.96 1.30 -0.63 8.56 0.00 -1.26 -5.09 121.76 121.68 1wx6 s ALA 84 Ca 0.65 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.97 1wx6 s ALA 84 Cb -0.18 -0.33 0.16 0.00 0.00 0.00 0.00 23.12 22.77 1wx6 s ALA 84 CO 0.57 0.32 0.43 -1.58 0.00 0.00 0.00 175.76 175.50 1wx6 s HIS 85 N -0.39 3.17 -0.85 0.00 5.04 -1.26 -5.03 115.29 115.96 1wx6 s HIS 85 Ca 0.06 -3.16 -0.14 0.00 -1.54 0.00 0.00 55.06 50.27 1wx6 s HIS 85 Cb -0.06 -2.49 0.21 0.00 0.04 0.00 0.00 32.58 30.28 1wx6 s HIS 85 CO -0.00 -0.62 0.83 -1.54 -2.34 0.00 0.00 174.74 171.07 1wx6 s SER 86 N -1.03 6.77 0.00 9.88 1.04 -1.26 -4.93 113.70 124.16 1wx6 s SER 86 Ca 0.24 -2.64 0.00 0.00 0.48 0.00 0.00 55.95 54.03 1wx6 s SER 86 Cb -0.08 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1wx6 s SER 86 CO -0.14 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1wx6 n GLY 87 N 4.13 0.81 3.63 7.32 0.00 -1.26 -5.04 105.19 114.77 1wx6 n GLY 87 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1wx6 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wx6 s PRO 88 N 0.27 -0.58 0.01 1.61 0.04 -1.26 -5.09 135.00 129.99 1wx6 s PRO 88 Ca 0.00 0.16 -0.14 0.00 0.04 0.00 0.00 61.00 61.06 1wx6 s PRO 88 Cb 0.00 -1.65 0.02 0.00 0.04 0.00 0.00 34.50 32.91 1wx6 s PRO 88 CO 0.00 -3.33 0.31 0.45 0.04 0.00 0.00 177.00 174.46 1wx6 s SER 89 N -3.71 -0.16 -1.72 6.66 0.15 -1.26 -4.90 113.70 108.76 1wx6 s SER 89 Ca 0.69 -0.04 -0.17 0.00 0.70 0.00 0.00 55.95 57.13 1wx6 s SER 89 Cb -0.13 0.33 0.17 0.00 -1.71 0.00 0.00 66.02 64.67 1wx6 s SER 89 CO 0.57 -0.52 0.42 -1.54 1.20 0.00 0.00 173.24 173.37 1wx6 n SER 90 N 0.98 -1.06 0.00 5.45 3.41 -1.26 -5.33 113.62 115.81 1wx6 n SER 90 Ca -0.20 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1wx6 n SER 90 Cb 0.57 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1wx6 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49