#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 -0.41 0.01 1.61 0.01 -1.26 -5.17 113.70 108.49 1wx6 s SER 2 Ca 0.00 0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.79 1wx6 s SER 2 Cb 0.00 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.79 1wx6 s SER 2 CO 0.00 -0.41 -0.04 -0.94 0.41 0.00 0.00 173.24 172.25 1wx6 s SER 3 N -0.83 0.50 0.00 2.44 1.04 -1.26 -5.04 113.70 110.55 1wx6 s SER 3 Ca -0.09 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1wx6 s SER 3 Cb -0.03 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1wx6 s SER 3 CO 0.05 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1wx6 n GLY 4 N 2.45 0.00 3.37 7.32 0.00 -1.26 -5.14 105.19 111.94 1wx6 n GLY 4 Ca -0.16 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.37 1wx6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wx6 n SER 5 N 0.00 -1.05 -4.89 1.61 7.64 -1.26 -4.92 113.62 110.75 1wx6 n SER 5 Ca 0.00 1.12 -0.29 0.00 1.01 0.00 0.00 58.87 60.71 1wx6 n SER 5 Cb 0.00 -0.93 -0.02 0.00 -1.01 0.00 0.00 64.21 62.24 1wx6 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wx6 s SER 6 N -0.84 6.44 0.00 6.43 0.15 -1.26 -4.93 113.70 119.68 1wx6 s SER 6 Ca 0.67 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1wx6 s SER 6 Cb -0.97 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.05 1wx6 s SER 6 CO 0.55 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1wx6 n GLY 7 N -1.57 0.26 3.33 9.45 0.00 -1.26 -5.08 105.19 110.33 1wx6 n GLY 7 Ca 0.02 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 1wx6 n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wx6 s LEU 8 N 0.00 2.52 0.66 0.99 0.05 -1.26 -5.14 118.68 116.49 1wx6 s LEU 8 Ca 0.00 -0.96 -0.13 0.00 0.05 0.00 0.00 54.13 53.09 1wx6 s LEU 8 Cb 0.00 -0.70 -0.01 0.00 -2.05 0.00 0.00 46.19 43.43 1wx6 s LEU 8 CO 0.00 -0.14 1.06 -0.55 -0.55 0.00 0.00 176.35 176.17 1wx6 s SER 9 N -3.08 5.51 0.07 1.48 0.15 -1.26 -4.99 113.70 111.57 1wx6 s SER 9 Ca 0.20 1.70 -0.35 0.00 0.70 0.00 0.00 55.95 58.20 1wx6 s SER 9 Cb -0.02 -2.51 -0.18 0.00 -1.71 0.00 0.00 66.02 61.60 1wx6 s SER 9 CO 0.06 -1.35 1.53 0.78 1.20 0.00 0.00 173.24 175.46 1wx6 h ASN 10 N -0.28 -1.18 0.00 5.45 4.21 -2.05 -3.49 115.58 118.24 1wx6 h ASN 10 Ca -0.45 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.13 1wx6 h ASN 10 Cb 1.21 0.35 0.00 0.00 -1.12 0.00 0.00 38.32 38.76 1wx6 h ASN 10 CO 0.57 -0.71 0.00 0.61 -1.29 0.00 0.00 177.43 176.61 1wx6 n GLY 11 N -1.59 -1.94 3.80 2.83 0.00 -1.26 -5.14 105.19 101.89 1wx6 n GLY 11 Ca -0.14 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.78 4.37 0.00 1.61 -0.21 -1.26 -4.98 119.66 117.42 1wx6 s GLN 12 Ca 0.00 1.03 0.00 0.00 0.02 0.00 0.00 55.36 56.41 1wx6 s GLN 12 Cb 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 31.14 1wx6 s GLN 12 CO 0.00 0.37 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 1wx6 n GLY 13 N 0.72 1.48 3.47 3.09 0.00 -1.26 -5.14 105.19 107.55 1wx6 n GLY 13 Ca -0.01 0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 4.97 0.64 1.61 0.01 -1.26 -5.11 113.70 116.56 1wx6 s SER 14 Ca 0.00 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.07 1wx6 s SER 14 Cb 0.00 -1.86 0.06 0.00 0.21 0.00 0.00 66.02 64.44 1wx6 s SER 14 CO 0.00 0.06 0.90 0.00 0.41 0.00 0.00 173.24 174.61 1wx6 s ARG 15 N 1.01 2.23 0.05 12.44 1.70 -1.26 -4.94 118.95 130.18 1wx6 s ARG 15 Ca 0.02 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.29 1wx6 s ARG 15 Cb -0.14 -2.35 -0.09 0.00 -0.57 0.00 0.00 34.95 31.80 1wx6 s ARG 15 CO 0.02 -1.05 1.82 0.08 -1.08 0.00 0.00 175.30 175.09 1wx6 s VAL 16 N -3.00 2.99 -0.15 4.99 1.01 -1.26 -4.50 120.40 120.47 1wx6 s VAL 16 Ca 0.60 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.70 1wx6 s VAL 16 Cb -0.09 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1wx6 s VAL 16 CO 0.42 -0.01 -0.23 0.18 0.00 0.00 0.00 175.10 175.45 1wx6 n LEU 17 N 6.59 1.79 -3.68 3.92 4.77 0.16 -4.53 117.00 126.02 1wx6 n LEU 17 Ca 0.18 0.51 -0.10 0.00 -0.03 0.00 0.00 56.01 56.57 1wx6 n LEU 17 Cb 0.40 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1wx6 n LEU 17 CO 0.65 -0.40 0.14 -1.00 -1.33 0.00 0.00 177.39 175.45 1wx6 s HIS 18 N -2.44 -0.72 -0.20 -1.77 3.76 -1.24 -2.50 115.29 110.18 1wx6 s HIS 18 Ca -0.19 1.51 -0.29 0.00 -0.15 0.00 0.00 55.06 55.93 1wx6 s HIS 18 Cb 0.03 0.35 0.00 0.00 1.11 0.00 0.00 32.58 34.07 1wx6 s HIS 18 CO 0.29 -0.38 1.10 0.08 -0.85 0.00 0.00 174.74 174.98 1wx6 s VAL 19 N 1.36 4.57 0.23 -0.90 1.01 -1.24 -1.52 120.40 123.91 1wx6 s VAL 19 Ca -0.09 1.89 0.11 0.00 0.00 0.00 0.00 61.98 63.89 1wx6 s VAL 19 Cb -0.07 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1wx6 s VAL 19 CO -0.13 -0.15 -0.17 0.68 0.00 0.00 0.00 175.10 175.32 1wx6 s VAL 20 N 3.18 2.70 0.18 2.92 -7.23 -1.04 -0.94 120.40 120.18 1wx6 s VAL 20 Ca 0.47 -2.06 0.11 0.00 -1.81 0.00 0.00 61.98 58.69 1wx6 s VAL 20 Cb -0.17 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1wx6 s VAL 20 CO 0.09 -0.24 -0.21 -1.58 -0.31 0.00 0.00 175.10 172.85 1wx6 s GLN 21 N -3.09 1.63 -0.33 4.82 0.74 -0.04 -1.24 119.66 122.14 1wx6 s GLN 21 Ca 0.26 -1.45 -0.14 0.00 0.05 0.00 0.00 55.36 54.07 1wx6 s GLN 21 Cb -0.07 -1.92 -0.02 0.00 1.10 0.00 0.00 33.01 32.10 1wx6 s GLN 21 CO 0.14 0.41 0.32 0.95 -0.55 0.00 0.00 175.29 176.56 1wx6 s THR 22 N -1.62 5.21 0.09 -0.34 -4.23 -0.29 -1.26 115.64 113.20 1wx6 s THR 22 Ca 0.21 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.64 1wx6 s THR 22 Cb -0.08 -3.76 -0.24 0.00 1.34 0.00 0.00 72.50 69.76 1wx6 s THR 22 CO 0.11 -0.02 1.20 -0.07 -0.54 0.00 0.00 174.62 175.29 1wx6 h LEU 23 N 8.64 0.76 -8.72 4.79 3.38 -1.62 -0.32 115.31 122.22 1wx6 h LEU 23 Ca -0.31 -0.65 -0.66 0.00 0.09 0.00 0.00 57.88 56.36 1wx6 h LEU 23 Cb 1.15 -0.24 -0.25 0.00 0.09 0.00 0.00 40.66 41.42 1wx6 h LEU 23 CO 0.66 1.46 -0.86 -0.31 0.09 0.00 0.00 178.44 179.47 1wx6 s TYR 24 N -3.16 2.15 -0.06 1.13 1.51 -1.25 -4.56 117.35 113.11 1wx6 s TYR 24 Ca -0.08 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 1wx6 s TYR 24 Cb 0.07 -1.25 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 1wx6 s TYR 24 CO 0.91 0.17 1.49 -1.25 -1.11 0.00 0.00 175.55 175.76 1wx6 s PRO 25 N -1.45 4.22 -0.06 -1.71 0.04 -1.26 -4.52 135.00 130.27 1wx6 s PRO 25 Ca 0.11 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1wx6 s PRO 25 Cb -0.10 -3.80 0.02 0.00 0.04 0.00 0.00 34.50 30.66 1wx6 s PRO 25 CO 0.03 -0.73 -0.04 0.12 0.04 0.00 0.00 177.00 176.41 1wx6 s PHE 26 N 3.40 0.82 -0.11 0.56 2.19 -1.08 -4.88 117.98 118.89 1wx6 s PHE 26 Ca 0.66 -0.26 0.01 0.00 0.33 0.00 0.00 56.93 57.68 1wx6 s PHE 26 Cb -0.30 -0.76 -0.02 0.00 -1.31 0.00 0.00 43.02 40.63 1wx6 s PHE 26 CO 0.25 -0.25 -0.15 0.45 1.83 0.00 0.00 175.22 177.35 1wx6 s SER 27 N 1.20 3.89 0.97 6.13 0.15 -1.26 0.09 113.70 124.87 1wx6 s SER 27 Ca -0.07 -0.33 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 1wx6 s SER 27 Cb -0.14 -1.40 0.18 0.00 -1.71 0.00 0.00 66.02 62.95 1wx6 s SER 27 CO -0.02 0.21 1.19 -0.94 1.20 0.00 0.00 173.24 174.88 1wx6 s SER 28 N 0.10 2.99 0.00 5.45 1.04 -1.03 -4.91 113.70 117.34 1wx6 s SER 28 Ca -0.07 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1wx6 s SER 28 Cb -0.15 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 64.91 1wx6 s SER 28 CO 0.05 -2.85 0.00 0.52 0.98 0.00 0.00 173.24 171.94 1wx6 n VAL 29 N -3.92 0.00 -4.26 5.02 0.31 -1.26 -4.91 118.33 109.31 1wx6 n VAL 29 Ca 0.10 -0.05 -0.17 0.00 -0.01 0.00 0.00 64.34 64.22 1wx6 n VAL 29 Cb 0.59 0.48 -0.06 0.00 -0.91 0.00 0.00 33.84 33.95 1wx6 n VAL 29 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1wx6 n THR 30 N -1.19 0.00 1.67 2.52 5.66 -1.26 -5.02 114.28 116.66 1wx6 n THR 30 Ca 0.00 -1.99 0.11 0.00 -3.05 0.00 0.00 64.05 59.12 1wx6 n THR 30 Cb 0.00 0.96 0.64 0.00 -1.55 0.00 0.00 70.33 70.38 1wx6 n THR 30 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1wx6 n GLU 31 N -0.55 0.83 -0.03 1.09 -0.00 -1.26 -2.99 120.64 117.73 1wx6 n GLU 31 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.16 57.06 1wx6 n GLU 31 Cb 0.50 -1.41 -0.14 0.00 -0.00 0.00 0.00 31.44 30.39 1wx6 n GLU 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1wx6 n GLU 32 N -0.91 0.69 -3.35 3.44 0.28 -1.26 -4.80 120.64 114.74 1wx6 n GLU 32 Ca 0.16 0.23 -0.21 0.00 -0.16 0.00 0.00 57.16 57.19 1wx6 n GLU 32 Cb 0.07 -1.70 -0.00 0.00 1.43 0.00 0.00 31.44 31.24 1wx6 n GLU 32 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wx6 s GLU 33 N -2.56 3.16 0.00 3.44 2.02 -1.16 0.38 118.70 123.97 1wx6 s GLU 33 Ca -0.16 -0.76 -0.00 0.00 0.02 0.00 0.00 54.97 54.06 1wx6 s GLU 33 Cb 0.07 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 1wx6 s GLU 33 CO 0.78 -0.01 0.10 -0.51 0.02 0.00 0.00 175.26 175.64 1wx6 s LEU 34 N -4.29 3.97 -0.08 1.80 1.43 -1.11 -4.46 118.68 115.93 1wx6 s LEU 34 Ca 0.45 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1wx6 s LEU 34 Cb -0.10 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 1wx6 s LEU 34 CO 0.33 0.26 -0.12 0.54 0.23 0.00 0.00 176.35 177.60 1wx6 s ASN 35 N -1.82 4.19 0.21 2.29 2.20 -1.26 -2.45 114.94 118.30 1wx6 s ASN 35 Ca 0.24 -0.19 -0.19 0.00 -0.94 0.00 0.00 52.86 51.78 1wx6 s ASN 35 Cb -0.12 -1.15 0.07 0.00 -2.00 0.00 0.00 41.25 38.05 1wx6 s ASN 35 CO 0.15 0.30 0.92 2.22 -2.94 0.00 0.00 177.10 177.75 1wx6 n PHE 36 N 2.65 -1.51 -4.36 1.54 -1.74 0.11 -4.89 117.46 109.27 1wx6 n PHE 36 Ca -0.18 -1.30 -0.17 0.00 -0.56 0.00 0.00 57.45 55.24 1wx6 n PHE 36 Cb 0.52 0.64 -0.04 0.00 1.52 0.00 0.00 39.48 42.12 1wx6 n PHE 36 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 1wx6 n GLU 37 N -0.64 0.86 -2.16 3.97 0.28 -1.26 -2.62 120.64 119.07 1wx6 n GLU 37 Ca -0.03 -2.21 -0.42 0.00 -0.16 0.00 0.00 57.16 54.34 1wx6 n GLU 37 Cb 0.55 1.02 -0.03 0.00 1.43 0.00 0.00 31.44 34.41 1wx6 n GLU 37 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1wx6 s LYS 38 N -3.02 4.23 0.00 3.44 2.20 -1.26 -3.32 119.74 122.01 1wx6 s LYS 38 Ca 0.09 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 1wx6 s LYS 38 Cb 0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1wx6 s LYS 38 CO 0.07 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 1wx6 n GLY 39 N 3.83 0.74 3.49 5.54 0.00 -0.13 -4.95 105.19 113.71 1wx6 n GLY 39 Ca 0.15 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.06 3.46 -0.18 1.61 -6.30 -1.21 -4.90 118.70 108.13 1wx6 s GLU 40 Ca 0.00 -0.55 -0.13 0.00 -2.50 0.00 0.00 54.97 51.79 1wx6 s GLU 40 Cb 0.00 -2.81 -0.05 0.00 0.00 0.00 0.00 34.13 31.28 1wx6 s GLU 40 CO 0.00 0.32 0.27 0.99 0.02 0.00 0.00 175.26 176.86 1wx6 s THR 41 N 0.14 5.32 0.36 -1.70 2.01 -1.26 -1.13 115.64 119.37 1wx6 s THR 41 Ca -0.02 0.48 0.03 0.00 0.31 0.00 0.00 61.69 62.49 1wx6 s THR 41 Cb -0.14 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1wx6 s THR 41 CO 0.03 0.38 0.12 0.23 -0.69 0.00 0.00 174.62 174.69 1wx6 n MET 42 N 3.71 0.64 -3.77 4.92 2.81 -0.37 -4.73 117.12 120.32 1wx6 n MET 42 Ca -0.12 -3.04 -0.19 0.00 -1.81 0.00 0.00 57.70 52.54 1wx6 n MET 42 Cb 0.52 1.60 -0.17 0.00 -0.71 0.00 0.00 33.22 34.46 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 -3.38 0.17 -0.13 0.03 2.02 -1.25 -2.49 118.70 113.67 1wx6 s GLU 43 Ca 0.17 0.22 -0.29 0.00 0.02 0.00 0.00 54.97 55.09 1wx6 s GLU 43 Cb 0.01 -0.57 -0.04 0.00 0.10 0.00 0.00 34.13 33.63 1wx6 s GLU 43 CO 0.12 -0.26 1.52 0.08 0.02 0.00 0.00 175.26 176.74 1wx6 s VAL 44 N 1.71 3.83 -0.24 2.63 1.01 -0.58 -2.81 120.40 125.96 1wx6 s VAL 44 Ca -0.00 0.99 0.05 0.00 0.00 0.00 0.00 61.98 63.01 1wx6 s VAL 44 Cb -0.13 -3.69 -0.18 0.00 0.00 0.00 0.00 36.38 32.39 1wx6 s VAL 44 CO -0.03 -0.15 -0.16 2.30 0.00 0.00 0.00 175.10 177.06 1wx6 n ILE 45 N 5.68 1.40 -3.68 2.22 -5.35 -0.70 0.40 119.36 119.32 1wx6 n ILE 45 Ca 0.17 -0.59 -0.15 0.00 -0.27 0.00 0.00 62.75 61.90 1wx6 n ILE 45 Cb 0.44 -1.21 -0.08 0.00 -1.74 0.00 0.00 39.64 37.06 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 -2.49 0.80 -0.16 6.28 2.12 -1.14 -4.57 118.70 119.55 1wx6 s GLU 46 Ca -0.29 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 54.98 1wx6 s GLU 46 Cb 0.08 0.36 0.02 0.00 0.26 0.00 0.00 34.13 34.86 1wx6 s GLU 46 CO 0.61 -0.23 -0.16 0.15 -0.54 0.00 0.00 175.26 175.09 1wx6 s LYS 47 N -1.34 2.51 0.37 4.30 1.02 -1.26 -1.39 119.74 123.95 1wx6 s LYS 47 Ca -0.12 -0.65 -0.26 0.00 0.02 0.00 0.00 55.97 54.95 1wx6 s LYS 47 Cb -0.03 -2.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.93 1wx6 s LYS 47 CO 0.06 -0.23 1.20 -1.25 -0.92 0.00 0.00 175.35 174.21 1wx6 s PRO 48 N 1.42 4.17 -0.14 -1.68 0.04 -1.26 -4.99 135.00 132.56 1wx6 s PRO 48 Ca 0.05 1.94 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 1wx6 s PRO 48 Cb -0.13 -2.82 -0.10 0.00 0.04 0.00 0.00 34.50 31.49 1wx6 s PRO 48 CO -0.11 -0.25 0.14 1.49 0.04 0.00 0.00 177.00 178.31 1wx6 h GLU 49 N 2.92 0.00 -0.64 4.56 4.57 -1.98 -3.33 114.58 120.69 1wx6 h GLU 49 Ca -0.49 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 57.83 1wx6 h GLU 49 Cb 1.23 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.72 1wx6 h GLU 49 CO 0.64 0.41 0.03 -0.91 -1.18 0.00 0.00 179.01 178.00 1wx6 h ASN 50 N -1.00 -0.22 -3.48 1.04 4.21 -2.00 -3.15 115.58 110.98 1wx6 h ASN 50 Ca -0.08 0.15 -0.70 0.00 1.21 0.00 0.00 56.30 56.88 1wx6 h ASN 50 Cb 0.63 0.26 -0.35 0.00 -1.12 0.00 0.00 38.32 37.74 1wx6 h ASN 50 CO -0.05 -0.10 -0.14 -1.81 -1.29 0.00 0.00 177.43 174.05 1wx6 s ASP 51 N -5.24 5.88 0.55 5.81 1.11 -1.26 -4.88 116.67 118.65 1wx6 s ASP 51 Ca -0.13 -3.57 0.33 0.00 0.18 0.00 0.00 52.55 49.36 1wx6 s ASP 51 Cb 0.19 -1.90 1.39 0.00 1.07 0.00 0.00 42.92 43.67 1wx6 s ASP 51 CO 0.74 -0.22 1.99 1.55 1.18 0.00 0.00 175.17 180.42 1wx6 h PRO 52 N 6.20 0.00 0.00 8.23 0.13 -1.65 -2.60 132.00 142.31 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 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1wx6 h PRO 52 CO 0.83 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.55 1wx6 h GLU 53 N 0.00 0.00 -6.68 0.86 5.08 -1.89 -3.44 114.58 108.51 1wx6 h GLU 53 Ca -0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 1wx6 h GLU 53 Cb 0.50 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.57 1wx6 h GLU 53 CO 0.00 0.00 -0.79 -1.58 -1.00 0.00 0.00 179.01 175.65 1wx6 s TRP 54 N -3.32 2.59 0.05 4.33 0.52 -0.98 -2.94 118.94 119.19 1wx6 s TRP 54 Ca 0.05 -0.23 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1wx6 s TRP 54 Cb 0.10 -1.37 -0.02 0.00 -1.15 0.00 0.00 33.47 31.02 1wx6 s TRP 54 CO 0.46 0.39 -0.16 -1.58 0.02 0.00 0.00 176.95 176.09 1wx6 s TRP 55 N -1.16 1.38 -0.36 -1.98 0.51 0.89 -4.36 118.94 113.86 1wx6 s TRP 55 Ca 0.19 -0.38 -0.17 0.00 -2.12 0.00 0.00 56.10 53.61 1wx6 s TRP 55 Cb -0.11 -0.80 0.00 0.00 -0.81 0.00 0.00 33.47 31.75 1wx6 s TRP 55 CO 0.11 0.07 0.47 0.21 -0.51 0.00 0.00 176.95 177.30 1wx6 s LYS 56 N -1.32 3.50 0.29 4.98 2.20 -0.48 -0.28 119.74 128.64 1wx6 s LYS 56 Ca 0.02 -0.33 0.02 0.00 -0.36 0.00 0.00 55.97 55.33 1wx6 s LYS 56 Cb -0.09 -3.84 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 1wx6 s LYS 56 CO 0.02 -0.67 0.09 0.00 -0.36 0.00 0.00 175.35 174.43 1wx6 s LYS 58 N -3.95 2.72 0.94 0.00 2.20 -1.12 -2.55 119.74 117.99 1wx6 s LYS 58 Ca 0.36 -0.74 -0.15 0.00 -0.36 0.00 0.00 55.97 55.08 1wx6 s LYS 58 Cb 0.07 -2.26 0.22 0.00 -1.51 0.00 0.00 37.83 34.35 1wx6 s LYS 58 CO 0.15 -0.06 1.28 0.27 -0.36 0.00 0.00 175.35 176.63 1wx6 n ASN 59 N 4.21 0.18 -0.07 1.43 0.23 -0.81 -3.83 115.26 116.59 1wx6 n ASN 59 Ca -0.20 -1.52 0.11 0.00 -0.53 0.00 0.00 54.58 52.45 1wx6 n ASN 59 Cb 0.51 -0.97 0.49 0.00 -2.08 0.00 0.00 39.78 37.73 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 -1.72 1.98 0.00 -2.53 0.00 -1.91 0.23 119.26 115.31 1wx6 h ALA 60 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1wx6 h ALA 60 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1wx6 h ALA 60 CO 0.30 -0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.99 1wx6 n ARG 61 N -4.47 0.40 -1.24 0.00 1.74 -1.26 -4.81 116.66 107.02 1wx6 n ARG 61 Ca 0.09 0.04 -0.08 0.00 -0.77 0.00 0.00 57.85 57.13 1wx6 n ARG 61 Cb 0.33 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 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 -0.06 1.01 3.85 -0.13 0.00 0.80 -5.00 105.19 105.66 1wx6 n GLY 62 Ca 0.10 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.59 3.59 0.01 1.61 -1.52 -1.26 -4.85 119.66 114.66 1wx6 s GLN 63 Ca 0.00 -0.10 -0.01 0.00 -1.95 0.00 0.00 55.36 53.30 1wx6 s GLN 63 Cb 0.00 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.52 1wx6 s GLN 63 CO 0.00 0.70 0.13 0.14 -0.25 0.00 0.00 175.29 176.01 1wx6 s VAL 64 N -0.82 5.06 0.07 1.09 -7.23 -1.26 -1.93 120.40 115.38 1wx6 s VAL 64 Ca 0.15 -0.34 -0.06 0.00 -1.81 0.00 0.00 61.98 59.92 1wx6 s VAL 64 Cb -0.12 -3.36 0.02 0.00 0.56 0.00 0.00 36.38 33.48 1wx6 s VAL 64 CO 0.04 0.30 0.29 0.61 -0.31 0.00 0.00 175.10 176.02 1wx6 n GLY 65 N 0.92 1.25 3.52 2.32 0.00 -1.06 -4.89 105.19 107.26 1wx6 n GLY 65 Ca -0.11 -1.01 -0.42 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 4.61 -0.06 0.99 1.43 0.16 -3.01 118.68 122.80 1wx6 s LEU 66 Ca 0.06 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1wx6 s LEU 66 Cb -0.01 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1wx6 s LEU 66 CO 0.02 -0.48 -0.15 0.54 0.23 0.00 0.00 176.35 176.51 1wx6 s VAL 67 N 2.16 2.97 -0.09 -1.59 0.11 0.62 -2.73 120.40 121.85 1wx6 s VAL 67 Ca 0.13 -0.74 -0.30 0.00 -2.93 0.00 0.00 61.98 58.14 1wx6 s VAL 67 Cb -0.16 -2.17 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 1wx6 s VAL 67 CO 0.13 0.58 1.51 -2.16 -3.33 0.00 0.00 175.10 171.83 1wx6 s PRO 68 N -0.50 4.20 0.48 1.54 0.04 -1.26 -0.08 135.00 139.42 1wx6 s PRO 68 Ca 0.07 2.01 0.23 0.00 0.04 0.00 0.00 61.00 63.34 1wx6 s PRO 68 Cb -0.12 -3.89 1.22 0.00 0.04 0.00 0.00 34.50 31.75 1wx6 s PRO 68 CO 0.02 -0.79 2.00 1.57 0.04 0.00 0.00 177.00 179.83 1wx6 h LYS 69 N 9.02 0.00 0.00 4.56 2.10 -1.87 -1.77 116.57 128.61 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 0.18 0.00 -0.91 -2.00 0.00 0.00 179.45 177.68 1wx6 h ASN 70 N 0.00 0.00 0.00 7.07 -0.26 -1.90 -2.32 115.58 118.16 1wx6 h ASN 70 Ca -0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.58 1wx6 h ASN 70 Cb 0.43 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.66 1wx6 h ASN 70 CO 0.02 0.00 -2.14 -1.22 -1.06 0.00 0.00 177.43 173.03 1wx6 n TYR 71 N -2.34 0.00 -3.66 1.19 4.02 -0.68 -5.00 117.16 110.70 1wx6 n TYR 71 Ca 0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.67 1wx6 n TYR 71 Cb 0.17 -0.70 0.02 0.00 -0.02 0.00 0.00 39.34 38.80 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 -2.46 0.00 -3.65 -0.72 0.24 -0.87 -1.53 118.33 109.33 1wx6 n VAL 72 Ca -0.17 -1.98 -0.14 0.00 -2.04 0.00 0.00 64.34 60.01 1wx6 n VAL 72 Cb 0.82 -0.18 -0.08 0.00 -1.47 0.00 0.00 33.84 32.93 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 -2.51 0.00 -0.18 3.34 -7.23 -0.39 -4.87 120.40 108.56 1wx6 s VAL 73 Ca 0.36 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.21 1wx6 s VAL 73 Cb -0.03 -0.85 -0.00 0.00 0.56 0.00 0.00 36.38 36.06 1wx6 s VAL 73 CO 0.23 -0.01 1.12 -0.69 -0.31 0.00 0.00 175.10 175.43 1wx6 s VAL 74 N 0.05 4.53 -0.09 1.32 1.01 -1.26 -0.86 120.40 125.09 1wx6 s VAL 74 Ca -0.02 1.85 -0.07 0.00 0.00 0.00 0.00 61.98 63.74 1wx6 s VAL 74 Cb -0.04 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1wx6 s VAL 74 CO 0.02 -0.13 -0.13 0.18 0.00 0.00 0.00 175.10 175.04 1wx6 n LEU 75 N 6.20 1.16 -4.75 3.92 4.77 -0.11 -4.98 117.00 123.20 1wx6 n LEU 75 Ca 0.12 0.45 -0.24 0.00 -0.03 0.00 0.00 56.01 56.31 1wx6 n LEU 75 Cb 0.46 -0.72 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1wx6 n LEU 75 CO 0.53 -0.46 -0.14 -0.94 -1.33 0.00 0.00 177.39 175.05 1wx6 s SER 76 N -4.97 4.47 -0.78 -1.43 1.04 -1.22 -5.04 113.70 105.78 1wx6 s SER 76 Ca -0.11 -1.06 -0.00 0.00 0.48 0.00 0.00 55.95 55.26 1wx6 s SER 76 Cb 0.01 -0.47 0.19 0.00 0.10 0.00 0.00 66.02 65.86 1wx6 s SER 76 CO 0.16 -0.56 0.63 -1.81 0.98 0.00 0.00 173.24 172.64 1wx6 s ASP 77 N -3.93 5.52 0.00 7.02 1.11 -1.26 -3.59 116.67 121.55 1wx6 s ASP 77 Ca 0.41 -3.54 0.00 0.00 0.18 0.00 0.00 52.55 49.60 1wx6 s ASP 77 Cb 0.03 -1.83 0.00 0.00 1.07 0.00 0.00 42.92 42.19 1wx6 s ASP 77 CO 0.23 -0.20 0.00 0.61 1.18 0.00 0.00 175.17 176.99 1wx6 n GLY 78 N 2.52 2.22 0.00 0.21 0.00 -1.04 -4.67 105.19 104.43 1wx6 n GLY 78 Ca 0.18 -1.97 0.08 0.00 0.00 0.00 0.00 46.02 44.31 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 1.15 0.44 -1.75 1.61 -0.04 -1.26 -4.67 135.00 130.47 1wx6 n PRO 79 Ca 0.00 0.03 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 1wx6 n PRO 79 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1wx6 n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wx6 s ALA 80 N -2.10 1.32 -0.07 0.55 0.00 -1.26 -4.65 121.76 115.54 1wx6 s ALA 80 Ca 0.22 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.47 1wx6 s ALA 80 Cb 0.11 -4.49 0.15 0.00 0.00 0.00 0.00 23.12 18.88 1wx6 s ALA 80 CO 0.19 -5.09 1.06 1.47 0.00 0.00 0.00 175.76 173.39 1wx6 n LEU 81 N 16.15 2.05 -4.45 0.00 -0.00 -1.26 -4.95 117.00 124.54 1wx6 n LEU 81 Ca 0.40 -2.46 -0.47 0.00 -0.00 0.00 0.00 56.01 53.49 1wx6 n LEU 81 Cb 0.48 -0.22 -0.02 0.00 -0.00 0.00 0.00 43.42 43.66 1wx6 n LEU 81 CO 0.61 0.58 0.14 1.41 -0.00 0.00 0.00 177.39 180.13 1wx6 n HIS 82 N -0.94 -0.06 -2.04 1.47 8.25 -1.26 -4.77 115.22 115.87 1wx6 n HIS 82 Ca 0.08 0.87 -0.39 0.00 -0.26 0.00 0.00 57.72 58.02 1wx6 n HIS 82 Cb 0.47 -2.04 -0.03 0.00 1.12 0.00 0.00 29.99 29.51 1wx6 n HIS 82 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1wx6 s PRO 83 N -1.18 2.65 -0.30 -0.41 0.04 -1.26 -4.88 135.00 129.66 1wx6 s PRO 83 Ca 0.62 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 1wx6 s PRO 83 Cb -0.84 -4.38 0.18 0.00 0.04 0.00 0.00 34.50 29.49 1wx6 s PRO 83 CO 0.57 -2.71 1.12 0.00 0.04 0.00 0.00 177.00 176.03 1wx6 s ALA 84 N 9.02 -2.74 0.30 8.56 0.00 -1.26 -5.18 121.76 130.46 1wx6 s ALA 84 Ca 0.68 2.01 0.09 0.00 0.00 0.00 0.00 51.96 54.74 1wx6 s ALA 84 Cb -0.13 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 1wx6 s ALA 84 CO 0.21 -0.66 0.01 -1.01 0.00 0.00 0.00 175.76 174.31 1wx6 s HIS 85 N 1.75 2.61 0.61 0.00 3.76 -1.26 -4.99 115.29 117.78 1wx6 s HIS 85 Ca -0.05 -0.32 0.27 0.00 -0.15 0.00 0.00 55.06 54.81 1wx6 s HIS 85 Cb -0.03 -1.33 1.28 0.00 1.11 0.00 0.00 32.58 33.60 1wx6 s HIS 85 CO -0.15 0.54 1.70 0.66 -0.85 0.00 0.00 174.74 176.65 1wx6 h SER 86 N 1.84 0.00 -5.00 1.40 4.64 -2.03 -3.46 113.55 110.94 1wx6 h SER 86 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1wx6 h SER 86 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1wx6 h SER 86 CO 0.63 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1wx6 n GLY 87 N -1.51 2.49 2.24 -0.77 0.00 -1.26 -5.10 105.19 101.28 1wx6 n GLY 87 Ca 0.10 -2.16 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.99 -2.39 -2.79 1.61 -0.04 -1.26 -4.96 135.00 124.18 1wx6 n PRO 88 Ca 0.00 -1.12 -0.43 0.00 -0.04 0.00 0.00 63.50 61.92 1wx6 n PRO 88 Cb 0.00 -1.05 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 1wx6 n PRO 88 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wx6 s SER 89 N -3.39 6.66 -0.22 3.54 0.01 -1.26 -5.00 113.70 114.04 1wx6 s SER 89 Ca 0.45 0.53 -0.13 0.00 1.31 0.00 0.00 55.95 58.11 1wx6 s SER 89 Cb -0.04 -2.47 0.07 0.00 0.21 0.00 0.00 66.02 63.78 1wx6 s SER 89 CO 0.35 -0.90 0.55 -0.55 0.41 0.00 0.00 173.24 173.09 1wx6 s SER 90 N 1.95 -0.72 0.00 2.44 0.15 -1.26 -5.34 113.70 110.92 1wx6 s SER 90 Ca 0.39 1.19 0.00 0.00 0.70 0.00 0.00 55.95 58.23 1wx6 s SER 90 Cb -0.11 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1wx6 s SER 90 CO 0.20 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.04