#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 -0.59 0.13 1.61 0.01 -1.26 -5.13 113.70 108.47 1wx6 s SER 2 Ca 0.00 0.33 -0.35 0.00 1.31 0.00 0.00 55.95 57.24 1wx6 s SER 2 Cb 0.00 1.62 -0.16 0.00 0.21 0.00 0.00 66.02 67.69 1wx6 s SER 2 CO 0.00 -0.30 1.24 -1.20 0.41 0.00 0.00 173.24 173.39 1wx6 n SER 3 N 5.39 1.45 0.00 2.44 7.64 -1.26 -4.97 113.62 124.32 1wx6 n SER 3 Ca -0.01 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1wx6 n SER 3 Cb 0.51 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1wx6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wx6 n GLY 4 N 2.24 4.50 3.70 0.23 0.00 -1.26 -5.07 105.19 109.53 1wx6 n GLY 4 Ca 0.17 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 0.64 6.77 0.39 1.61 0.15 -1.26 -5.01 113.70 116.98 1wx6 s SER 5 Ca 0.00 2.30 0.00 0.00 0.70 0.00 0.00 55.95 58.95 1wx6 s SER 5 Cb 0.00 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1wx6 s SER 5 CO 0.00 -0.74 0.60 -0.94 1.20 0.00 0.00 173.24 173.36 1wx6 s SER 6 N 1.67 6.17 -0.03 5.45 1.04 -1.26 -5.07 113.70 121.66 1wx6 s SER 6 Ca 0.67 0.44 -0.03 0.00 0.48 0.00 0.00 55.95 57.50 1wx6 s SER 6 Cb -0.36 -1.91 -0.01 0.00 0.10 0.00 0.00 66.02 63.84 1wx6 s SER 6 CO 0.29 -0.43 -0.06 0.61 0.98 0.00 0.00 173.24 174.64 1wx6 n GLY 7 N -1.90 -0.50 3.40 7.32 0.00 -1.26 -5.10 105.19 107.15 1wx6 n GLY 7 Ca -0.03 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.48 -0.12 0.00 0.99 2.96 -1.26 -5.08 118.68 110.70 1wx6 s LEU 8 Ca -0.05 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1wx6 s LEU 8 Cb 0.01 2.16 0.00 0.00 0.50 0.00 0.00 46.19 48.86 1wx6 s LEU 8 CO 0.07 -0.71 0.00 -1.54 -1.32 0.00 0.00 176.35 172.85 1wx6 n SER 9 N 0.44 1.95 -4.77 3.68 3.41 -1.26 -5.07 113.62 112.00 1wx6 n SER 9 Ca -0.18 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.13 1wx6 n SER 9 Cb 0.60 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.67 1wx6 n SER 9 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wx6 s ASN 10 N -4.50 3.86 0.00 4.04 2.20 -1.26 -5.08 114.94 114.20 1wx6 s ASN 10 Ca 0.00 1.22 0.00 0.00 -0.94 0.00 0.00 52.86 53.14 1wx6 s ASN 10 Cb 0.00 -1.89 0.00 0.00 -2.00 0.00 0.00 41.25 37.36 1wx6 s ASN 10 CO 0.00 -2.36 0.00 0.61 -2.94 0.00 0.00 177.10 172.41 1wx6 n GLY 11 N -1.88 1.62 2.94 0.45 0.00 -1.26 -5.14 105.19 101.91 1wx6 n GLY 11 Ca 0.07 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1wx6 n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wx6 s GLN 12 N -1.12 1.72 0.00 1.61 1.11 -1.26 -5.05 119.66 116.66 1wx6 s GLN 12 Ca 0.00 -0.72 0.00 0.00 0.01 0.00 0.00 55.36 54.65 1wx6 s GLN 12 Cb 0.00 -2.26 0.00 0.00 -1.01 0.00 0.00 33.01 29.74 1wx6 s GLN 12 CO 0.00 -0.45 0.00 0.41 0.01 0.00 0.00 175.29 175.26 1wx6 n GLY 13 N 4.77 -0.26 3.59 3.09 0.00 -1.26 -5.07 105.19 110.04 1wx6 n GLY 13 Ca -0.13 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 6.18 0.91 1.61 0.01 -1.26 -5.00 113.70 112.15 1wx6 s SER 14 Ca 0.00 0.57 -0.12 0.00 1.31 0.00 0.00 55.95 57.71 1wx6 s SER 14 Cb 0.00 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.88 1wx6 s SER 14 CO 0.00 -1.61 1.25 -0.13 0.41 0.00 0.00 173.24 173.16 1wx6 s ARG 15 N 5.32 0.78 -0.30 12.44 1.81 -1.26 -4.87 118.95 132.86 1wx6 s ARG 15 Ca 0.58 -0.68 -0.29 0.00 -1.72 0.00 0.00 55.73 53.61 1wx6 s ARG 15 Cb -0.12 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.40 1wx6 s ARG 15 CO 0.29 -2.24 1.29 0.08 -0.68 0.00 0.00 175.30 174.04 1wx6 s VAL 16 N -3.72 4.16 -0.09 3.52 1.01 -1.26 -4.26 120.40 119.76 1wx6 s VAL 16 Ca 0.73 1.31 -0.04 0.00 0.00 0.00 0.00 61.98 63.99 1wx6 s VAL 16 Cb -0.03 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1wx6 s VAL 16 CO 0.51 -0.48 -0.07 -0.07 0.00 0.00 0.00 175.10 174.99 1wx6 h LEU 17 N 10.83 0.00 -7.28 3.92 3.38 -0.54 -3.42 115.31 122.21 1wx6 h LEU 17 Ca -0.26 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1wx6 h LEU 17 Cb 1.10 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.64 1wx6 h LEU 17 CO 1.03 0.49 -0.08 -1.00 0.09 0.00 0.00 178.44 178.97 1wx6 s HIS 18 N -1.70 -0.41 -0.17 1.13 3.76 -1.25 -3.04 115.29 113.61 1wx6 s HIS 18 Ca -0.06 0.76 -0.20 0.00 -0.15 0.00 0.00 55.06 55.41 1wx6 s HIS 18 Cb 0.01 0.22 -0.03 0.00 1.11 0.00 0.00 32.58 33.89 1wx6 s HIS 18 CO 0.09 -0.45 0.58 0.08 -0.85 0.00 0.00 174.74 174.18 1wx6 s VAL 19 N -1.01 5.08 0.23 -0.90 1.01 -1.18 -0.38 120.40 123.26 1wx6 s VAL 19 Ca -0.10 1.11 0.11 0.00 0.00 0.00 0.00 61.98 63.09 1wx6 s VAL 19 Cb -0.03 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1wx6 s VAL 19 CO 0.06 0.19 -0.20 0.68 0.00 0.00 0.00 175.10 175.83 1wx6 s VAL 20 N 1.43 2.25 0.26 2.92 -7.23 -1.03 -0.48 120.40 118.52 1wx6 s VAL 20 Ca 0.28 -2.23 0.11 0.00 -1.81 0.00 0.00 61.98 58.33 1wx6 s VAL 20 Cb -0.16 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 1wx6 s VAL 20 CO 0.11 -0.35 -0.14 -1.58 -0.31 0.00 0.00 175.10 172.83 1wx6 s GLN 21 N -3.24 1.88 -0.35 4.82 0.74 0.27 -1.86 119.66 121.92 1wx6 s GLN 21 Ca 0.25 -1.61 -0.11 0.00 0.05 0.00 0.00 55.36 53.94 1wx6 s GLN 21 Cb -0.05 -1.92 0.01 0.00 1.10 0.00 0.00 33.01 32.15 1wx6 s GLN 21 CO 0.11 0.35 0.20 0.95 -0.55 0.00 0.00 175.29 176.36 1wx6 s THR 22 N -2.34 4.70 0.09 -0.34 -4.23 0.37 -1.58 115.64 112.32 1wx6 s THR 22 Ca 0.29 -0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 60.05 1wx6 s THR 22 Cb -0.06 -3.53 -0.21 0.00 1.34 0.00 0.00 72.50 70.04 1wx6 s THR 22 CO 0.16 -0.12 1.23 -0.07 -0.54 0.00 0.00 174.62 175.28 1wx6 h LEU 23 N 8.43 0.80 -8.55 4.79 3.38 -1.77 0.55 115.31 122.93 1wx6 h LEU 23 Ca -0.28 -0.64 -0.55 0.00 0.09 0.00 0.00 57.88 56.49 1wx6 h LEU 23 Cb 1.12 -0.25 -0.24 0.00 0.09 0.00 0.00 40.66 41.38 1wx6 h LEU 23 CO 0.65 1.44 -0.83 -0.31 0.09 0.00 0.00 178.44 179.48 1wx6 s TYR 24 N -3.32 1.72 0.02 1.13 1.51 -1.25 -4.51 117.35 112.65 1wx6 s TYR 24 Ca -0.09 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 1wx6 s TYR 24 Cb 0.08 -1.00 -0.06 0.00 -0.11 0.00 0.00 41.96 40.86 1wx6 s TYR 24 CO 0.91 0.12 1.43 -1.25 -1.11 0.00 0.00 175.55 175.64 1wx6 s PRO 25 N -1.40 4.28 -0.08 -1.71 0.04 -1.26 -4.62 135.00 130.25 1wx6 s PRO 25 Ca 0.06 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 1wx6 s PRO 25 Cb -0.09 -3.54 0.03 0.00 0.04 0.00 0.00 34.50 30.93 1wx6 s PRO 25 CO 0.02 -0.58 -0.03 0.12 0.04 0.00 0.00 177.00 176.57 1wx6 s PHE 26 N 2.28 1.01 -0.23 0.56 2.19 -1.13 -4.92 117.98 117.74 1wx6 s PHE 26 Ca 0.65 -0.40 -0.07 0.00 0.33 0.00 0.00 56.93 57.44 1wx6 s PHE 26 Cb -0.33 -0.96 -0.03 0.00 -1.31 0.00 0.00 43.02 40.39 1wx6 s PHE 26 CO 0.28 -0.39 0.07 -1.12 1.83 0.00 0.00 175.22 175.89 1wx6 s SER 27 N 1.75 5.24 -0.68 6.13 0.01 -1.26 -1.19 113.70 123.70 1wx6 s SER 27 Ca 0.03 -0.14 -0.27 0.00 1.31 0.00 0.00 55.95 56.88 1wx6 s SER 27 Cb -0.13 -1.93 0.01 0.00 0.21 0.00 0.00 66.02 64.18 1wx6 s SER 27 CO -0.06 0.02 1.52 -0.94 0.41 0.00 0.00 173.24 174.19 1wx6 s SER 28 N 1.31 5.80 0.39 2.44 1.04 -1.04 -4.83 113.70 118.81 1wx6 s SER 28 Ca 0.05 -0.11 0.28 0.00 0.48 0.00 0.00 55.95 56.65 1wx6 s SER 28 Cb -0.15 -2.55 1.26 0.00 0.10 0.00 0.00 66.02 64.68 1wx6 s SER 28 CO 0.03 -2.05 1.85 0.58 0.98 0.00 0.00 173.24 174.63 1wx6 h VAL 29 N 6.39 0.00 -1.84 5.02 2.07 -1.94 -3.44 116.25 122.51 1wx6 h VAL 29 Ca -0.27 -0.26 -0.54 0.00 0.82 0.00 0.00 66.70 66.45 1wx6 h VAL 29 Cb 1.10 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 1wx6 h VAL 29 CO 1.25 0.00 -0.52 0.28 0.02 0.00 0.00 177.57 178.60 1wx6 s THR 30 N -3.53 2.97 -0.20 2.57 -1.32 -1.26 -5.01 115.64 109.85 1wx6 s THR 30 Ca 0.02 -1.66 0.01 0.00 -1.21 0.00 0.00 61.69 58.84 1wx6 s THR 30 Cb 0.09 -2.99 0.24 0.00 -1.51 0.00 0.00 72.50 68.33 1wx6 s THR 30 CO 0.41 -0.16 1.53 -0.62 -2.21 0.00 0.00 174.62 173.57 1wx6 n GLU 31 N -1.19 1.54 0.00 7.08 1.02 -1.26 -3.65 120.64 124.19 1wx6 n GLU 31 Ca -0.03 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 1wx6 n GLU 31 Cb 0.61 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1wx6 n GLU 31 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wx6 n GLU 32 N 0.02 2.42 -1.79 3.49 1.02 -1.26 -5.06 120.64 119.49 1wx6 n GLU 32 Ca 0.24 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1wx6 n GLU 32 Cb 0.86 -0.87 0.07 0.00 -0.02 0.00 0.00 31.44 31.49 1wx6 n GLU 32 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wx6 n GLU 33 N -1.71 0.22 -4.20 3.49 1.02 -1.24 -0.14 120.64 118.09 1wx6 n GLU 33 Ca 0.00 -1.62 -0.30 0.00 -0.02 0.00 0.00 57.16 55.22 1wx6 n GLU 33 Cb 0.37 -0.38 -0.09 0.00 -0.02 0.00 0.00 31.44 31.32 1wx6 n GLU 33 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wx6 s LEU 34 N 0.00 3.19 -0.21 -4.62 1.43 -1.18 -4.25 118.68 113.05 1wx6 s LEU 34 Ca 0.39 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1wx6 s LEU 34 Cb -0.02 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1wx6 s LEU 34 CO 0.26 0.18 -0.08 0.54 0.23 0.00 0.00 176.35 177.47 1wx6 s ASN 35 N -2.22 4.00 0.34 2.29 2.20 -1.26 -2.49 114.94 117.81 1wx6 s ASN 35 Ca 0.23 -0.45 -0.03 0.00 -0.94 0.00 0.00 52.86 51.67 1wx6 s ASN 35 Cb -0.11 -1.67 0.00 0.00 -2.00 0.00 0.00 41.25 37.47 1wx6 s ASN 35 CO 0.15 -0.01 0.49 0.72 -2.94 0.00 0.00 177.10 175.51 1wx6 s PHE 36 N 1.39 1.03 0.28 1.54 -0.71 -0.33 -4.92 117.98 116.25 1wx6 s PHE 36 Ca 0.05 -1.27 0.00 0.00 -1.04 0.00 0.00 56.93 54.67 1wx6 s PHE 36 Cb -0.14 -0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.62 1wx6 s PHE 36 CO -0.05 -1.15 0.01 -0.85 -1.34 0.00 0.00 175.22 171.84 1wx6 n GLU 37 N -0.56 1.32 -2.37 1.99 0.00 -1.26 -2.84 120.64 116.92 1wx6 n GLU 37 Ca 0.01 -2.00 -0.42 0.00 0.00 0.00 0.00 57.16 54.75 1wx6 n GLU 37 Cb 0.61 0.52 -0.03 0.00 0.00 0.00 0.00 31.44 32.54 1wx6 n GLU 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1wx6 s LYS 38 N -3.00 4.42 -0.16 3.44 2.20 -1.26 -3.58 119.74 121.79 1wx6 s LYS 38 Ca 0.01 1.83 -0.00 0.00 -0.36 0.00 0.00 55.97 57.45 1wx6 s LYS 38 Cb -0.00 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1wx6 s LYS 38 CO 0.00 -0.27 0.14 0.41 -0.36 0.00 0.00 175.35 175.27 1wx6 n GLY 39 N 3.18 0.51 3.61 5.54 0.00 0.18 -4.96 105.19 113.25 1wx6 n GLY 39 Ca 0.09 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.57 2.43 0.06 1.61 2.56 -1.23 -4.90 118.70 114.66 1wx6 s GLU 40 Ca 0.03 -0.83 0.04 0.00 0.00 0.00 0.00 54.97 54.21 1wx6 s GLU 40 Cb -0.01 -2.46 -0.04 0.00 2.00 0.00 0.00 34.13 33.62 1wx6 s GLU 40 CO 0.09 0.56 -0.01 0.99 -0.56 0.00 0.00 175.26 176.33 1wx6 s THR 41 N -1.13 3.99 0.26 -1.70 2.01 -1.26 -0.48 115.64 117.32 1wx6 s THR 41 Ca 0.20 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 1wx6 s THR 41 Cb -0.11 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.57 1wx6 s THR 41 CO 0.12 0.21 0.45 0.23 -0.69 0.00 0.00 174.62 174.94 1wx6 n MET 42 N 0.88 0.64 -4.01 4.92 2.81 -0.78 -4.70 117.12 116.89 1wx6 n MET 42 Ca -0.12 -1.72 -0.16 0.00 -1.81 0.00 0.00 57.70 53.89 1wx6 n MET 42 Cb 0.52 1.89 -0.15 0.00 -0.71 0.00 0.00 33.22 34.77 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 -2.29 0.35 -0.52 0.03 2.02 -1.26 -2.46 118.70 114.57 1wx6 s GLU 43 Ca 0.15 -0.03 -0.28 0.00 0.02 0.00 0.00 54.97 54.83 1wx6 s GLU 43 Cb -0.02 -0.43 0.02 0.00 0.10 0.00 0.00 34.13 33.79 1wx6 s GLU 43 CO 0.11 -0.04 1.35 0.08 0.02 0.00 0.00 175.26 176.78 1wx6 s VAL 44 N 0.55 3.89 -0.00 2.63 1.01 0.49 -3.10 120.40 125.87 1wx6 s VAL 44 Ca -0.06 0.82 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 1wx6 s VAL 44 Cb -0.09 -4.45 -0.27 0.00 0.00 0.00 0.00 36.38 31.57 1wx6 s VAL 44 CO -0.01 -1.10 0.84 0.16 0.00 0.00 0.00 175.10 174.99 1wx6 h ILE 45 N 6.35 1.13 -2.79 2.22 3.07 -1.32 0.37 117.51 126.54 1wx6 h ILE 45 Ca -0.26 -2.79 0.03 0.00 1.55 0.00 0.00 64.86 63.39 1wx6 h ILE 45 Cb 1.09 2.72 -0.12 0.00 -0.27 0.00 0.00 36.82 40.24 1wx6 h ILE 45 CO 1.15 0.80 0.30 -0.70 -1.05 0.00 0.00 178.15 178.65 1wx6 s GLU 46 N -2.62 1.21 -0.12 0.16 2.12 -1.07 -4.17 118.70 114.22 1wx6 s GLU 46 Ca -0.09 -0.49 -0.00 0.00 0.36 0.00 0.00 54.97 54.75 1wx6 s GLU 46 Cb 0.07 0.53 0.02 0.00 0.26 0.00 0.00 34.13 35.01 1wx6 s GLU 46 CO 0.84 -0.54 -0.09 0.15 -0.54 0.00 0.00 175.26 175.09 1wx6 s LYS 47 N -3.59 1.69 -0.67 4.30 1.02 -1.26 -0.59 119.74 120.64 1wx6 s LYS 47 Ca 0.04 -0.32 -0.26 0.00 0.02 0.00 0.00 55.97 55.44 1wx6 s LYS 47 Cb -0.02 -1.69 -0.03 0.00 -0.52 0.00 0.00 37.83 35.58 1wx6 s LYS 47 CO -0.09 -0.25 1.88 -1.25 -0.92 0.00 0.00 175.35 174.72 1wx6 s PRO 48 N 1.63 2.61 0.04 -1.68 0.04 -1.26 -4.89 135.00 131.49 1wx6 s PRO 48 Ca 0.04 0.44 -0.09 0.00 0.04 0.00 0.00 61.00 61.43 1wx6 s PRO 48 Cb -0.13 -4.52 -0.02 0.00 0.04 0.00 0.00 34.50 29.87 1wx6 s PRO 48 CO -0.08 -2.86 1.15 0.93 0.04 0.00 0.00 177.00 176.18 1wx6 h GLU 49 N 14.28 -0.02 -0.92 4.56 3.07 -1.98 0.30 114.58 133.88 1wx6 h GLU 49 Ca -0.19 0.00 0.35 0.00 -0.50 0.00 0.00 59.36 59.01 1wx6 h GLU 49 Cb 1.13 0.01 -0.17 0.00 -0.84 0.00 0.00 28.75 28.88 1wx6 h GLU 49 CO 1.22 -0.02 0.35 0.09 -1.40 0.00 0.00 179.01 179.25 1wx6 n ASN 50 N -3.59 0.19 -4.05 1.42 4.13 -1.26 -2.26 115.26 109.85 1wx6 n ASN 50 Ca 0.00 1.53 -0.34 0.00 1.68 0.00 0.00 54.58 57.45 1wx6 n ASN 50 Cb 0.08 -0.69 -0.09 0.00 -1.54 0.00 0.00 39.78 37.54 1wx6 n ASN 50 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1wx6 s ASP 51 N -4.69 5.37 0.38 6.41 1.01 0.11 -4.90 116.67 120.35 1wx6 s ASP 51 Ca -0.09 -3.42 0.17 0.00 0.71 0.00 0.00 52.55 49.91 1wx6 s ASP 51 Cb 0.30 -1.81 0.74 0.00 1.01 0.00 0.00 42.92 43.16 1wx6 s ASP 51 CO 0.71 -0.22 1.79 1.55 0.21 0.00 0.00 175.17 179.21 1wx6 h PRO 52 N 6.24 0.00 0.00 8.23 0.13 -1.33 -2.65 132.00 142.62 1wx6 h PRO 52 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1wx6 h PRO 52 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1wx6 h PRO 52 CO 0.77 0.38 0.00 0.39 -0.23 0.00 0.00 178.00 179.31 1wx6 n GLU 53 N -3.77 0.18 -4.30 0.86 -0.58 -1.26 -4.72 120.64 107.06 1wx6 n GLU 53 Ca -0.01 0.40 -0.27 0.00 -0.42 0.00 0.00 57.16 56.86 1wx6 n GLU 53 Cb 0.46 -1.84 -0.10 0.00 -0.57 0.00 0.00 31.44 29.39 1wx6 n GLU 53 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1wx6 s TRP 54 N -3.29 2.60 0.06 -0.32 0.52 -1.00 -3.07 118.94 114.45 1wx6 s TRP 54 Ca 0.05 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 55.97 1wx6 s TRP 54 Cb 0.09 -1.30 -0.03 0.00 -1.15 0.00 0.00 33.47 31.09 1wx6 s TRP 54 CO 0.39 0.48 -0.11 -1.58 0.02 0.00 0.00 176.95 176.15 1wx6 s TRP 55 N -1.57 0.99 -0.36 -1.98 0.51 0.13 -4.30 118.94 112.37 1wx6 s TRP 55 Ca 0.23 -0.49 -0.14 0.00 -2.12 0.00 0.00 56.10 53.58 1wx6 s TRP 55 Cb -0.09 -0.57 -0.01 0.00 -0.81 0.00 0.00 33.47 31.99 1wx6 s TRP 55 CO 0.14 -0.00 0.28 0.21 -0.51 0.00 0.00 176.95 177.07 1wx6 s LYS 56 N -1.74 3.37 0.38 4.98 2.20 0.24 -0.23 119.74 128.95 1wx6 s LYS 56 Ca -0.05 -0.70 0.04 0.00 -0.36 0.00 0.00 55.97 54.91 1wx6 s LYS 56 Cb -0.10 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.34 1wx6 s LYS 56 CO 0.01 -0.54 0.13 0.00 -0.36 0.00 0.00 175.35 174.59 1wx6 s LYS 58 N -3.73 1.15 0.65 0.00 2.20 -1.18 -2.70 119.74 116.13 1wx6 s LYS 58 Ca 0.27 -0.14 -0.11 0.00 -0.36 0.00 0.00 55.97 55.63 1wx6 s LYS 58 Cb 0.03 -1.24 0.16 0.00 -1.51 0.00 0.00 37.83 35.27 1wx6 s LYS 58 CO 0.16 -0.20 0.64 0.27 -0.36 0.00 0.00 175.35 175.86 1wx6 n ASN 59 N 4.66 -1.19 0.23 1.43 0.23 -0.93 -4.10 115.26 115.60 1wx6 n ASN 59 Ca -0.15 -0.97 0.11 0.00 -0.53 0.00 0.00 54.58 53.04 1wx6 n ASN 59 Cb 0.50 -0.56 0.54 0.00 -2.08 0.00 0.00 39.78 38.18 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 -2.28 1.08 0.00 -2.53 0.00 -1.91 -2.58 119.26 111.04 1wx6 h ALA 60 Ca -0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1wx6 h ALA 60 Cb 0.69 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1wx6 h ALA 60 CO 0.15 0.25 -0.26 0.00 0.00 0.00 0.00 179.25 179.40 1wx6 h ARG 61 N 0.00 0.00 0.00 0.00 3.08 -1.99 -3.46 114.38 112.01 1wx6 h ARG 61 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wx6 h ARG 61 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1wx6 h ARG 61 CO 0.03 0.26 0.00 0.41 -1.07 0.00 0.00 179.97 179.59 1wx6 n GLY 62 N 0.24 1.04 3.82 0.04 0.00 -0.97 -5.09 105.19 104.27 1wx6 n GLY 62 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.71 3.78 0.07 1.61 -1.52 -1.26 -4.88 119.66 116.75 1wx6 s GLN 63 Ca 0.00 -0.04 0.03 0.00 -1.95 0.00 0.00 55.36 53.40 1wx6 s GLN 63 Cb 0.00 -3.27 -0.04 0.00 -0.22 0.00 0.00 33.01 29.48 1wx6 s GLN 63 CO 0.00 0.59 0.07 0.14 -0.25 0.00 0.00 175.29 175.85 1wx6 s VAL 64 N -0.54 4.52 0.16 1.09 -7.23 -1.26 -2.19 120.40 114.96 1wx6 s VAL 64 Ca 0.15 -0.73 -0.23 0.00 -1.81 0.00 0.00 61.98 59.36 1wx6 s VAL 64 Cb -0.13 -3.16 0.08 0.00 0.56 0.00 0.00 36.38 33.73 1wx6 s VAL 64 CO 0.04 0.15 1.05 -0.83 -0.31 0.00 0.00 175.10 175.21 1wx6 s GLY 65 N -2.30 0.04 -0.55 2.32 0.00 -1.10 -4.89 107.32 100.86 1wx6 s GLY 65 Ca 0.28 -0.23 -0.25 0.00 0.00 0.00 0.00 44.72 44.53 1wx6 s GLY 65 CO 0.21 2.28 0.97 1.08 0.00 0.00 0.00 173.10 177.64 1wx6 s LEU 66 N -3.37 4.01 -0.10 0.66 1.43 0.81 -3.08 118.68 119.05 1wx6 s LEU 66 Ca 0.21 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1wx6 s LEU 66 Cb -0.02 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 1wx6 s LEU 66 CO 0.04 -1.24 0.02 0.54 0.23 0.00 0.00 176.35 175.95 1wx6 s VAL 67 N 4.05 4.50 -0.00 -1.59 0.11 0.68 -3.12 120.40 125.03 1wx6 s VAL 67 Ca 0.33 -0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 58.90 1wx6 s VAL 67 Cb -0.12 -2.91 -0.06 0.00 -1.53 0.00 0.00 36.38 31.76 1wx6 s VAL 67 CO 0.21 0.59 1.45 -2.16 -3.33 0.00 0.00 175.10 171.86 1wx6 s PRO 68 N -0.76 4.26 0.13 1.54 0.04 -1.26 -0.69 135.00 138.26 1wx6 s PRO 68 Ca 0.12 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 1wx6 s PRO 68 Cb -0.12 -3.62 -0.06 0.00 0.04 0.00 0.00 34.50 30.74 1wx6 s PRO 68 CO 0.02 -0.63 1.45 1.57 0.04 0.00 0.00 177.00 179.46 1wx6 h LYS 69 N 8.06 0.88 0.00 4.56 2.10 -1.88 -2.75 116.57 127.55 1wx6 h LYS 69 Ca -0.38 -0.48 0.00 0.00 -2.00 0.00 0.00 60.65 57.79 1wx6 h LYS 69 Cb 1.18 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1wx6 h LYS 69 CO 0.91 1.12 0.19 -2.95 -2.00 0.00 0.00 179.45 176.73 1wx6 h ASN 70 N 0.68 0.00 0.12 7.07 7.08 -1.92 0.29 115.58 128.90 1wx6 h ASN 70 Ca 0.05 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.05 1wx6 h ASN 70 Cb 0.98 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.18 1wx6 h ASN 70 CO 0.09 0.00 -2.10 -1.22 -2.08 0.00 0.00 177.43 172.13 1wx6 n TYR 71 N -2.31 0.17 -3.46 4.14 4.02 -1.05 -4.99 117.16 113.68 1wx6 n TYR 71 Ca -0.01 0.06 -0.19 0.00 -0.01 0.00 0.00 57.90 57.75 1wx6 n TYR 71 Cb 0.23 -0.86 0.02 0.00 -0.02 0.00 0.00 39.34 38.71 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 -2.62 0.00 -3.65 -0.72 0.24 0.10 -2.17 118.33 109.51 1wx6 n VAL 72 Ca -0.20 -1.66 -0.13 0.00 -2.04 0.00 0.00 64.34 60.30 1wx6 n VAL 72 Cb 0.92 -0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 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 -2.06 -0.00 -0.04 3.34 -7.23 -0.61 -4.88 120.40 108.92 1wx6 s VAL 73 Ca 0.36 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.23 1wx6 s VAL 73 Cb -0.03 -0.91 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 1wx6 s VAL 73 CO 0.23 0.00 1.16 -0.69 -0.31 0.00 0.00 175.10 175.49 1wx6 s VAL 74 N 0.43 4.33 -0.19 1.32 1.01 -1.26 -0.56 120.40 125.47 1wx6 s VAL 74 Ca -0.01 1.65 -0.16 0.00 0.00 0.00 0.00 61.98 63.46 1wx6 s VAL 74 Cb -0.05 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1wx6 s VAL 74 CO -0.00 0.03 -0.30 0.18 0.00 0.00 0.00 175.10 175.01 1wx6 n LEU 75 N 4.89 1.92 -4.54 3.92 4.77 0.36 -4.97 117.00 123.35 1wx6 n LEU 75 Ca 0.10 0.39 -0.26 0.00 -0.03 0.00 0.00 56.01 56.21 1wx6 n LEU 75 Cb 0.47 -0.79 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 1wx6 n LEU 75 CO 0.55 -0.12 -0.37 -0.94 -1.33 0.00 0.00 177.39 175.18 1wx6 s SER 76 N -6.23 3.65 -0.92 -1.43 1.04 -1.22 -5.04 113.70 103.54 1wx6 s SER 76 Ca -0.29 -1.23 -0.03 0.00 0.48 0.00 0.00 55.95 54.88 1wx6 s SER 76 Cb 0.06 -0.34 0.23 0.00 0.10 0.00 0.00 66.02 66.07 1wx6 s SER 76 CO 0.41 -0.26 0.83 -1.81 0.98 0.00 0.00 173.24 173.39 1wx6 s ASP 77 N -3.61 6.22 0.00 7.02 1.01 -1.26 -3.07 116.67 122.98 1wx6 s ASP 77 Ca 0.33 -3.67 0.00 0.00 0.71 0.00 0.00 52.55 49.92 1wx6 s ASP 77 Cb 0.04 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 42.01 1wx6 s ASP 77 CO 0.16 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.94 1wx6 n GLY 78 N 2.44 2.94 0.17 0.21 0.00 -1.17 -4.85 105.19 104.94 1wx6 n GLY 78 Ca 0.21 -1.99 -0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 0.00 0.06 -6.44 1.61 0.13 -1.85 -3.43 132.00 122.08 1wx6 h PRO 79 Ca 0.00 -0.03 -0.50 0.00 -0.87 0.00 0.00 66.00 64.60 1wx6 h PRO 79 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1wx6 h PRO 79 CO 0.00 0.53 -0.80 0.00 -0.23 0.00 0.00 178.00 177.50 1wx6 n ALA 80 N -2.45 -1.43 -3.61 -0.56 0.00 -1.26 -4.94 120.51 106.26 1wx6 n ALA 80 Ca -0.02 0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 1wx6 n ALA 80 Cb 0.51 -3.61 -0.12 0.00 0.00 0.00 0.00 19.45 16.22 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 -7.19 4.58 -1.02 0.00 1.43 -1.26 -4.77 118.68 110.44 1wx6 s LEU 81 Ca 0.55 -1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 51.97 1wx6 s LEU 81 Cb -0.29 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1wx6 s LEU 81 CO 0.87 -0.40 0.21 1.57 0.23 0.00 0.00 176.35 178.82 1wx6 n HIS 82 N 4.65 -0.94 -0.71 0.29 -0.00 -1.26 -4.89 115.22 112.36 1wx6 n HIS 82 Ca -0.08 0.27 -0.12 0.00 -0.00 0.00 0.00 57.72 57.79 1wx6 n HIS 82 Cb 0.43 -2.02 0.10 0.00 -0.00 0.00 0.00 29.99 28.50 1wx6 n HIS 82 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1wx6 n PRO 83 N -3.76 -1.85 -1.60 1.57 -0.04 -1.26 -5.01 135.00 123.04 1wx6 n PRO 83 Ca -0.17 -0.68 -0.29 0.00 -0.04 0.00 0.00 63.50 62.32 1wx6 n PRO 83 Cb 0.47 -0.64 0.12 0.00 -0.04 0.00 0.00 33.50 33.41 1wx6 n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wx6 s ALA 84 N -2.99 2.00 -1.73 0.55 0.00 -1.26 -3.91 121.76 114.42 1wx6 s ALA 84 Ca 0.28 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 1wx6 s ALA 84 Cb -0.03 -3.03 0.16 0.00 0.00 0.00 0.00 23.12 20.22 1wx6 s ALA 84 CO 0.21 -2.09 0.62 1.58 0.00 0.00 0.00 175.76 176.08 1wx6 n HIS 85 N -3.63 -1.49 -3.71 0.00 -0.00 -1.26 -4.91 115.22 100.22 1wx6 n HIS 85 Ca 0.07 0.74 -0.14 0.00 -0.00 0.00 0.00 57.72 58.39 1wx6 n HIS 85 Cb 0.59 -2.62 -0.09 0.00 -0.00 0.00 0.00 29.99 27.87 1wx6 n HIS 85 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1wx6 s SER 86 N -3.47 -0.37 0.00 0.26 0.15 -1.25 -5.18 113.70 103.83 1wx6 s SER 86 Ca 0.64 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1wx6 s SER 86 Cb -0.36 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1wx6 s SER 86 CO 0.97 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.66 1wx6 n GLY 87 N 1.85 5.56 3.76 9.45 0.00 -1.26 -4.86 105.19 119.69 1wx6 n GLY 87 Ca -0.18 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 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 1.84 4.45 0.14 1.61 0.04 -1.26 -4.99 135.00 136.84 1wx6 s PRO 88 Ca 0.00 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 1wx6 s PRO 88 Cb 0.00 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 1wx6 s PRO 88 CO 0.00 -0.06 0.33 -1.54 0.04 0.00 0.00 177.00 175.77 1wx6 s SER 89 N -0.50 6.41 -0.30 6.66 1.04 -1.26 -5.09 113.70 120.66 1wx6 s SER 89 Ca 0.48 0.41 0.01 0.00 0.48 0.00 0.00 55.95 57.33 1wx6 s SER 89 Cb -0.37 -2.02 0.07 0.00 0.10 0.00 0.00 66.02 63.80 1wx6 s SER 89 CO 0.47 0.05 -0.02 -0.94 0.98 0.00 0.00 173.24 173.78 1wx6 s SER 90 N -2.77 4.74 0.00 7.02 1.04 -1.26 -5.28 113.70 117.19 1wx6 s SER 90 Ca 0.38 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1wx6 s SER 90 Cb -0.12 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.35 1wx6 s SER 90 CO 0.27 -0.28 0.03 0.61 0.98 0.00 0.00 173.24 174.86