#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 6.95 -0.20 1.61 0.15 -1.26 -5.00 113.70 115.95 1wx6 s SER 2 Ca 0.00 -2.82 -0.28 0.00 0.70 0.00 0.00 55.95 53.54 1wx6 s SER 2 Cb 0.00 -2.31 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 1wx6 s SER 2 CO 0.00 -0.68 2.06 -0.55 1.20 0.00 0.00 173.24 175.27 1wx6 s SER 3 N 2.52 5.76 -0.25 5.45 0.15 -1.26 -4.96 113.70 121.12 1wx6 s SER 3 Ca 0.31 1.89 -0.09 0.00 0.70 0.00 0.00 55.95 58.76 1wx6 s SER 3 Cb -0.07 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1wx6 s SER 3 CO -0.06 -1.72 0.12 -0.83 1.20 0.00 0.00 173.24 171.95 1wx6 s GLY 4 N 6.98 1.88 -0.31 9.45 0.00 -1.26 -4.97 107.32 119.10 1wx6 s GLY 4 Ca 0.93 -1.01 0.12 0.00 0.00 0.00 0.00 44.72 44.76 1wx6 s GLY 4 CO 0.35 0.46 1.14 -1.26 0.00 0.00 0.00 173.10 173.79 1wx6 n SER 5 N 4.61 3.67 -4.13 1.64 2.88 -1.26 -5.01 113.62 116.02 1wx6 n SER 5 Ca -0.15 -3.17 -0.34 0.00 -1.33 0.00 0.00 58.87 53.87 1wx6 n SER 5 Cb 0.52 -0.41 -0.14 0.00 -0.75 0.00 0.00 64.21 63.43 1wx6 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wx6 s SER 6 N -3.61 4.85 -0.09 -3.46 0.15 -1.26 -5.08 113.70 105.20 1wx6 s SER 6 Ca 0.42 -1.48 -0.14 0.00 0.70 0.00 0.00 55.95 55.45 1wx6 s SER 6 Cb 0.39 -1.69 0.03 0.00 -1.71 0.00 0.00 66.02 63.04 1wx6 s SER 6 CO -0.02 -0.30 0.35 -0.83 1.20 0.00 0.00 173.24 173.64 1wx6 s GLY 7 N 1.27 -0.23 0.02 9.45 0.00 -1.26 -5.17 107.32 111.40 1wx6 s GLY 7 Ca -0.03 0.76 -0.22 0.00 0.00 0.00 0.00 44.72 45.24 1wx6 s GLY 7 CO -0.03 0.59 0.49 -2.27 0.00 0.00 0.00 173.10 171.89 1wx6 s LEU 8 N -0.39 0.07 -0.90 0.66 2.96 -1.26 -5.10 118.68 114.72 1wx6 s LEU 8 Ca -0.05 0.22 -0.22 0.00 -0.22 0.00 0.00 54.13 53.85 1wx6 s LEU 8 Cb -0.03 1.98 0.08 0.00 0.50 0.00 0.00 46.19 48.71 1wx6 s LEU 8 CO 0.02 -0.65 1.25 -0.44 -1.32 0.00 0.00 176.35 175.21 1wx6 s SER 9 N -1.75 6.44 0.03 3.68 0.01 -1.26 -4.96 113.70 115.90 1wx6 s SER 9 Ca -0.08 -1.43 -0.03 0.00 1.31 0.00 0.00 55.95 55.73 1wx6 s SER 9 Cb -0.01 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 1wx6 s SER 9 CO 0.01 -1.41 0.03 0.54 0.41 0.00 0.00 173.24 172.82 1wx6 s ASN 10 N 4.19 0.26 -0.33 2.44 2.20 -1.26 -5.13 114.94 117.31 1wx6 s ASN 10 Ca 0.37 -0.62 0.03 0.00 -0.94 0.00 0.00 52.86 51.70 1wx6 s ASN 10 Cb -0.05 0.18 0.16 0.00 -2.00 0.00 0.00 41.25 39.54 1wx6 s ASN 10 CO -0.03 -0.46 0.44 -0.83 -2.94 0.00 0.00 177.10 173.28 1wx6 s GLY 11 N -2.06 -0.56 -0.06 0.45 0.00 -1.26 -4.93 107.32 98.90 1wx6 s GLY 11 Ca -0.06 -0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.63 1wx6 s GLY 11 CO -0.04 3.08 -0.18 1.20 0.00 0.00 0.00 173.10 177.16 1wx6 s GLN 12 N 2.16 2.63 4.25 2.90 -1.52 -1.26 -4.88 119.66 123.94 1wx6 s GLN 12 Ca 0.12 -0.77 0.00 0.00 -1.95 0.00 0.00 55.36 52.77 1wx6 s GLN 12 Cb -0.12 -2.34 0.00 0.00 -0.22 0.00 0.00 33.01 30.33 1wx6 s GLN 12 CO -0.20 0.49 0.00 0.41 -0.25 0.00 0.00 175.29 175.74 1wx6 n GLY 13 N 2.68 0.74 3.45 3.09 0.00 -1.26 -4.02 105.19 109.87 1wx6 n GLY 13 Ca -0.17 0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.00 6.72 0.54 1.61 1.04 -1.26 -4.99 113.70 113.36 1wx6 s SER 14 Ca 0.00 -2.25 0.06 0.00 0.48 0.00 0.00 55.95 54.23 1wx6 s SER 14 Cb 0.00 -2.40 0.03 0.00 0.10 0.00 0.00 66.02 63.76 1wx6 s SER 14 CO 0.00 -0.99 0.41 0.00 0.98 0.00 0.00 173.24 173.64 1wx6 s ARG 15 N 2.43 2.27 -0.22 4.02 1.04 -1.26 -4.99 118.95 122.24 1wx6 s ARG 15 Ca 0.35 -1.98 -0.29 0.00 -1.04 0.00 0.00 55.73 52.77 1wx6 s ARG 15 Cb -0.04 -2.12 -0.04 0.00 -2.04 0.00 0.00 34.95 30.70 1wx6 s ARG 15 CO -0.07 -0.59 1.87 0.08 -0.04 0.00 0.00 175.30 176.54 1wx6 s VAL 16 N -2.75 3.37 -0.14 4.99 1.01 -1.26 -4.36 120.40 121.25 1wx6 s VAL 16 Ca 0.36 0.40 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 1wx6 s VAL 16 Cb -0.02 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 1wx6 s VAL 16 CO 0.22 -0.22 0.02 -0.07 0.00 0.00 0.00 175.10 175.05 1wx6 h LEU 17 N 13.03 0.00 -7.26 3.92 3.38 -0.65 -3.42 115.31 124.30 1wx6 h LEU 17 Ca -0.38 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 1wx6 h LEU 17 Cb 1.19 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.70 1wx6 h LEU 17 CO 0.99 0.85 -0.18 -1.00 0.09 0.00 0.00 178.44 179.19 1wx6 s HIS 18 N -2.09 -0.52 -0.15 1.13 3.76 -1.24 -2.89 115.29 113.29 1wx6 s HIS 18 Ca -0.14 1.25 -0.23 0.00 -0.15 0.00 0.00 55.06 55.79 1wx6 s HIS 18 Cb 0.02 0.18 -0.03 0.00 1.11 0.00 0.00 32.58 33.86 1wx6 s HIS 18 CO 0.27 -0.25 0.70 0.08 -0.85 0.00 0.00 174.74 174.70 1wx6 s VAL 19 N 0.29 4.99 0.36 -0.90 1.01 -1.18 -0.67 120.40 124.31 1wx6 s VAL 19 Ca -0.00 1.38 0.09 0.00 0.00 0.00 0.00 61.98 63.44 1wx6 s VAL 19 Cb -0.03 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 1wx6 s VAL 19 CO 0.00 0.13 -0.06 0.68 0.00 0.00 0.00 175.10 175.84 1wx6 s VAL 20 N 1.67 2.18 0.20 2.92 -7.23 -0.90 -0.68 120.40 118.56 1wx6 s VAL 20 Ca 0.34 -2.14 0.09 0.00 -1.81 0.00 0.00 61.98 58.46 1wx6 s VAL 20 Cb -0.16 -2.75 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 1wx6 s VAL 20 CO 0.13 -0.14 -0.18 -1.58 -0.31 0.00 0.00 175.10 173.02 1wx6 s GLN 21 N -3.64 1.40 -0.41 4.82 0.74 0.35 -1.85 119.66 121.06 1wx6 s GLN 21 Ca 0.33 -1.55 -0.14 0.00 0.05 0.00 0.00 55.36 54.05 1wx6 s GLN 21 Cb 0.04 -1.39 0.03 0.00 1.10 0.00 0.00 33.01 32.79 1wx6 s GLN 21 CO 0.17 0.26 0.29 0.95 -0.55 0.00 0.00 175.29 176.41 1wx6 s THR 22 N -2.42 5.02 0.06 -0.34 -4.23 0.38 -1.63 115.64 112.48 1wx6 s THR 22 Ca 0.21 -0.81 -0.17 0.00 -1.18 0.00 0.00 61.69 59.75 1wx6 s THR 22 Cb -0.04 -3.84 -0.16 0.00 1.34 0.00 0.00 72.50 69.80 1wx6 s THR 22 CO 0.09 -0.34 1.28 -0.07 -0.54 0.00 0.00 174.62 175.04 1wx6 h LEU 23 N 8.58 0.69 -8.71 4.79 3.38 -1.76 0.14 115.31 122.43 1wx6 h LEU 23 Ca -0.27 -0.61 -0.66 0.00 0.09 0.00 0.00 57.88 56.44 1wx6 h LEU 23 Cb 1.11 -0.20 -0.25 0.00 0.09 0.00 0.00 40.66 41.41 1wx6 h LEU 23 CO 0.73 1.18 -0.87 -0.31 0.09 0.00 0.00 178.44 179.27 1wx6 s TYR 24 N -3.82 2.15 -0.04 1.13 1.51 -1.25 -4.45 117.35 112.59 1wx6 s TYR 24 Ca -0.12 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.24 1wx6 s TYR 24 Cb 0.07 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.60 1wx6 s TYR 24 CO 0.84 0.15 1.48 -1.25 -1.11 0.00 0.00 175.55 175.65 1wx6 s PRO 25 N -1.37 4.24 -0.09 -1.71 0.04 -1.26 -4.64 135.00 130.21 1wx6 s PRO 25 Ca 0.11 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1wx6 s PRO 25 Cb -0.10 -3.73 0.02 0.00 0.04 0.00 0.00 34.50 30.74 1wx6 s PRO 25 CO 0.03 -0.69 -0.07 0.12 0.04 0.00 0.00 177.00 176.42 1wx6 s PHE 26 N 3.07 1.29 -0.16 0.56 2.19 -1.18 -4.92 117.98 118.83 1wx6 s PHE 26 Ca 0.66 -0.56 -0.05 0.00 0.33 0.00 0.00 56.93 57.32 1wx6 s PHE 26 Cb -0.31 -1.07 -0.03 0.00 -1.31 0.00 0.00 43.02 40.29 1wx6 s PHE 26 CO 0.26 -0.39 -0.01 0.45 1.83 0.00 0.00 175.22 177.36 1wx6 s SER 27 N 1.39 5.07 -0.47 6.13 0.15 -1.26 -1.11 113.70 123.60 1wx6 s SER 27 Ca -0.02 -0.05 -0.23 0.00 0.70 0.00 0.00 55.95 56.35 1wx6 s SER 27 Cb -0.14 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.38 1wx6 s SER 27 CO -0.04 0.18 0.81 -0.94 1.20 0.00 0.00 173.24 174.45 1wx6 s SER 28 N 0.30 6.40 0.65 5.45 1.04 -1.16 -4.90 113.70 121.48 1wx6 s SER 28 Ca -0.01 -0.16 0.35 0.00 0.48 0.00 0.00 55.95 56.61 1wx6 s SER 28 Cb -0.13 -2.39 1.92 0.00 0.10 0.00 0.00 66.02 65.51 1wx6 s SER 28 CO 0.02 -0.97 2.12 0.58 0.98 0.00 0.00 173.24 175.97 1wx6 h VAL 29 N 5.99 0.10 -4.70 5.02 2.07 -1.92 -3.43 116.25 119.38 1wx6 h VAL 29 Ca -0.25 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 66.77 1wx6 h VAL 29 Cb 1.08 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 31.56 1wx6 h VAL 29 CO 0.98 0.00 -0.42 1.07 0.02 0.00 0.00 177.57 179.23 1wx6 n THR 30 N -3.16 0.00 0.01 2.57 5.66 -1.26 -5.07 114.28 113.03 1wx6 n THR 30 Ca -0.01 -2.12 -0.18 0.00 -3.05 0.00 0.00 64.05 58.68 1wx6 n THR 30 Cb 0.27 0.76 -0.10 0.00 -1.55 0.00 0.00 70.33 69.71 1wx6 n THR 30 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1wx6 h GLU 31 N 0.00 0.54 -0.99 1.09 4.39 -1.99 -3.30 114.58 114.33 1wx6 h GLU 31 Ca -0.28 -0.54 0.21 0.00 0.34 0.00 0.00 59.36 59.09 1wx6 h GLU 31 Cb 1.08 0.14 -0.19 0.00 -0.10 0.00 0.00 28.75 29.69 1wx6 h GLU 31 CO 0.45 1.16 -0.19 0.93 -1.16 0.00 0.00 179.01 180.20 1wx6 h GLU 32 N 0.11 0.00 -7.23 2.33 3.07 -1.96 -3.40 114.58 107.51 1wx6 h GLU 32 Ca -0.08 -0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.32 1wx6 h GLU 32 Cb 1.39 -0.00 0.07 0.00 -0.84 0.00 0.00 28.75 29.37 1wx6 h GLU 32 CO 0.14 0.00 0.20 -1.21 -1.40 0.00 0.00 179.01 176.75 1wx6 s GLU 33 N -6.21 2.45 0.02 2.33 2.02 -1.24 0.14 118.70 118.21 1wx6 s GLU 33 Ca -0.15 -0.19 -0.00 0.00 0.02 0.00 0.00 54.97 54.66 1wx6 s GLU 33 Cb 0.27 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 1wx6 s GLU 33 CO 0.78 -1.05 0.12 -0.51 0.02 0.00 0.00 175.26 174.62 1wx6 s LEU 34 N -5.15 4.03 -0.17 1.80 1.43 -1.20 -4.52 118.68 114.91 1wx6 s LEU 34 Ca 0.58 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1wx6 s LEU 34 Cb -0.11 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.63 1wx6 s LEU 34 CO 0.45 0.23 -0.13 0.54 0.23 0.00 0.00 176.35 177.67 1wx6 s ASN 35 N -2.03 3.79 0.33 2.29 2.20 -1.26 -3.00 114.94 117.26 1wx6 s ASN 35 Ca 0.27 -0.45 -0.03 0.00 -0.94 0.00 0.00 52.86 51.71 1wx6 s ASN 35 Cb -0.12 -1.60 0.01 0.00 -2.00 0.00 0.00 41.25 37.54 1wx6 s ASN 35 CO 0.19 0.06 0.48 2.22 -2.94 0.00 0.00 177.10 177.11 1wx6 n PHE 36 N 4.20 -1.46 -4.45 1.54 -1.74 -0.26 -4.92 117.46 110.37 1wx6 n PHE 36 Ca -0.19 -2.19 -0.20 0.00 -0.56 0.00 0.00 57.45 54.31 1wx6 n PHE 36 Cb 0.51 0.54 -0.04 0.00 1.52 0.00 0.00 39.48 42.02 1wx6 n PHE 36 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1wx6 n GLU 37 N -0.54 1.26 -2.46 3.97 -0.58 -1.26 -3.11 120.64 117.91 1wx6 n GLU 37 Ca 0.00 -2.22 -0.42 0.00 -0.42 0.00 0.00 57.16 54.10 1wx6 n GLU 37 Cb 0.56 0.60 -0.03 0.00 -0.57 0.00 0.00 31.44 31.99 1wx6 n GLU 37 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1wx6 s LYS 38 N -3.10 4.37 0.00 3.49 2.20 -1.26 -3.62 119.74 121.82 1wx6 s LYS 38 Ca 0.00 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 1wx6 s LYS 38 Cb 0.00 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1wx6 s LYS 38 CO 0.00 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1wx6 n GLY 39 N 3.34 0.69 3.71 5.54 0.00 0.50 -4.97 105.19 114.00 1wx6 n GLY 39 Ca 0.11 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 1wx6 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wx6 s GLU 40 N -4.23 2.55 0.09 1.61 2.02 -1.24 -4.89 118.70 114.61 1wx6 s GLU 40 Ca 0.00 -1.08 0.07 0.00 0.02 0.00 0.00 54.97 53.98 1wx6 s GLU 40 Cb 0.00 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 1wx6 s GLU 40 CO 0.00 0.45 -0.12 0.99 0.02 0.00 0.00 175.26 176.60 1wx6 s THR 41 N -1.83 3.27 0.36 3.63 2.01 -1.26 -0.47 115.64 121.35 1wx6 s THR 41 Ca 0.29 -1.24 -0.10 0.00 0.31 0.00 0.00 61.69 60.96 1wx6 s THR 41 Cb -0.09 -2.50 0.03 0.00 0.01 0.00 0.00 72.50 69.95 1wx6 s THR 41 CO 0.20 0.16 0.64 -0.04 -0.69 0.00 0.00 174.62 174.90 1wx6 s MET 42 N -2.03 2.07 -0.04 4.92 -1.94 -0.77 -4.79 119.30 116.72 1wx6 s MET 42 Ca 0.20 -1.57 0.01 0.00 -1.71 0.00 0.00 55.69 52.62 1wx6 s MET 42 Cb -0.11 0.54 0.02 0.00 2.01 0.00 0.00 34.83 37.29 1wx6 s MET 42 CO 0.12 -0.92 -0.04 -1.21 -0.01 0.00 0.00 175.02 172.96 1wx6 s GLU 43 N -2.71 0.72 -0.33 2.03 2.02 -1.26 -2.13 118.70 117.05 1wx6 s GLU 43 Ca 0.22 -0.09 -0.29 0.00 0.02 0.00 0.00 54.97 54.84 1wx6 s GLU 43 Cb -0.03 -0.75 0.00 0.00 0.10 0.00 0.00 34.13 33.45 1wx6 s GLU 43 CO 0.15 -0.07 1.38 0.08 0.02 0.00 0.00 175.26 176.82 1wx6 s VAL 44 N 0.83 4.00 -0.11 2.63 1.01 0.15 -3.05 120.40 125.87 1wx6 s VAL 44 Ca -0.11 1.10 0.03 0.00 0.00 0.00 0.00 61.98 63.00 1wx6 s VAL 44 Cb -0.14 -4.12 -0.24 0.00 0.00 0.00 0.00 36.38 31.88 1wx6 s VAL 44 CO -0.00 -0.56 0.42 2.30 0.00 0.00 0.00 175.10 177.26 1wx6 n ILE 45 N 6.55 1.67 -3.57 2.22 -5.35 -0.61 0.09 119.36 120.36 1wx6 n ILE 45 Ca 0.16 -0.72 -0.17 0.00 -0.27 0.00 0.00 62.75 61.75 1wx6 n ILE 45 Cb 0.47 -1.37 -0.06 0.00 -1.74 0.00 0.00 39.64 36.94 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 -2.57 0.98 -0.21 6.28 2.56 -1.13 -4.35 118.70 120.26 1wx6 s GLU 46 Ca -0.16 0.14 -0.01 0.00 0.00 0.00 0.00 54.97 54.94 1wx6 s GLU 46 Cb 0.07 0.46 0.01 0.00 2.00 0.00 0.00 34.13 36.67 1wx6 s GLU 46 CO 0.78 -0.30 -0.11 0.15 -0.56 0.00 0.00 175.26 175.22 1wx6 s LYS 47 N -1.29 3.04 0.06 4.30 1.02 -1.26 -1.32 119.74 124.29 1wx6 s LYS 47 Ca -0.11 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 54.75 1wx6 s LYS 47 Cb -0.01 -2.82 -0.07 0.00 -0.52 0.00 0.00 37.83 34.41 1wx6 s LYS 47 CO 0.08 -0.27 1.40 -1.25 -0.92 0.00 0.00 175.35 174.39 1wx6 s PRO 48 N 1.35 4.30 -0.02 -1.68 0.04 -1.26 -4.97 135.00 132.76 1wx6 s PRO 48 Ca 0.04 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.00 1wx6 s PRO 48 Cb -0.15 -3.42 -0.06 0.00 0.04 0.00 0.00 34.50 30.92 1wx6 s PRO 48 CO -0.08 -0.50 0.55 1.49 0.04 0.00 0.00 177.00 178.50 1wx6 h GLU 49 N 7.35 -0.35 -0.87 4.56 4.81 -1.98 -3.23 114.58 124.87 1wx6 h GLU 49 Ca -0.40 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.02 1wx6 h GLU 49 Cb 1.20 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 30.50 1wx6 h GLU 49 CO 0.88 -0.24 -0.26 -0.91 -0.73 0.00 0.00 179.01 177.75 1wx6 h ASN 50 N -0.76 -0.97 -3.62 1.04 2.35 -2.00 -2.93 115.58 108.68 1wx6 h ASN 50 Ca -0.04 0.27 -0.74 0.00 -0.55 0.00 0.00 56.30 55.25 1wx6 h ASN 50 Cb 0.28 0.59 -0.32 0.00 0.05 0.00 0.00 38.32 38.92 1wx6 h ASN 50 CO 0.06 -0.29 -0.00 -1.81 -1.65 0.00 0.00 177.43 173.74 1wx6 s ASP 51 N -5.26 6.24 0.48 5.81 1.11 -1.25 -4.87 116.67 118.93 1wx6 s ASP 51 Ca -0.15 -3.38 0.27 0.00 0.18 0.00 0.00 52.55 49.47 1wx6 s ASP 51 Cb 0.23 -2.01 1.14 0.00 1.07 0.00 0.00 42.92 43.36 1wx6 s ASP 51 CO 0.75 -0.30 1.92 1.55 1.18 0.00 0.00 175.17 180.27 1wx6 h PRO 52 N 6.60 0.00 0.00 8.23 0.13 -1.53 -2.56 132.00 142.87 1wx6 h PRO 52 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1wx6 h PRO 52 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1wx6 h PRO 52 CO 0.85 0.16 0.00 0.39 -0.23 0.00 0.00 178.00 179.16 1wx6 n GLU 53 N -3.37 0.00 -4.42 0.86 1.02 -1.26 -4.73 120.64 108.73 1wx6 n GLU 53 Ca -0.00 0.19 -0.27 0.00 -0.02 0.00 0.00 57.16 57.05 1wx6 n GLU 53 Cb 0.36 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.16 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 -3.00 2.30 0.03 -0.32 0.52 -0.97 -2.86 118.94 114.64 1wx6 s TRP 54 Ca 0.09 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 55.88 1wx6 s TRP 54 Cb 0.12 -1.15 -0.02 0.00 -1.15 0.00 0.00 33.47 31.28 1wx6 s TRP 54 CO 0.33 0.49 -0.10 -1.58 0.02 0.00 0.00 176.95 176.11 1wx6 s TRP 55 N -1.63 0.88 -0.37 -1.98 0.51 0.12 -4.29 118.94 112.18 1wx6 s TRP 55 Ca 0.20 -0.32 -0.19 0.00 -2.12 0.00 0.00 56.10 53.67 1wx6 s TRP 55 Cb -0.08 -0.53 0.00 0.00 -0.81 0.00 0.00 33.47 32.05 1wx6 s TRP 55 CO 0.10 -0.01 0.58 0.21 -0.51 0.00 0.00 176.95 177.31 1wx6 s LYS 56 N -0.95 3.58 0.32 4.98 2.20 -0.44 -0.43 119.74 129.00 1wx6 s LYS 56 Ca -0.01 -0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 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 0.01 -0.74 0.10 0.00 -0.36 0.00 0.00 175.35 174.35 1wx6 s LYS 58 N -3.89 2.53 0.53 0.00 2.20 -1.17 -2.88 119.74 117.06 1wx6 s LYS 58 Ca 0.34 -0.68 -0.09 0.00 -0.36 0.00 0.00 55.97 55.19 1wx6 s LYS 58 Cb 0.07 -2.09 0.12 0.00 -1.51 0.00 0.00 37.83 34.42 1wx6 s LYS 58 CO 0.15 -0.03 0.73 0.27 -0.36 0.00 0.00 175.35 176.10 1wx6 n ASN 59 N 4.12 0.11 0.26 1.43 0.23 -0.75 -4.10 115.26 116.56 1wx6 n ASN 59 Ca -0.19 -1.29 0.11 0.00 -0.53 0.00 0.00 54.58 52.68 1wx6 n ASN 59 Cb 0.51 -0.55 0.68 0.00 -2.08 0.00 0.00 39.78 38.35 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 1.35 0.00 -2.53 0.00 -1.91 -1.13 119.26 113.25 1wx6 h ALA 60 Ca -0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1wx6 h ALA 60 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wx6 h ALA 60 CO 0.17 0.17 0.00 0.54 0.00 0.00 0.00 179.25 180.13 1wx6 n ARG 61 N -3.75 0.83 -1.15 0.00 5.12 -1.26 -4.85 116.66 111.60 1wx6 n ARG 61 Ca -0.02 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.85 1wx6 n ARG 61 Cb 0.24 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 30.02 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 0.73 0.76 3.88 -0.13 0.00 -0.43 -5.01 105.19 105.00 1wx6 n GLY 62 Ca 0.20 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.04 3.60 0.05 1.61 -0.21 -1.26 -4.86 119.66 116.56 1wx6 s GLN 63 Ca 0.00 -0.05 0.05 0.00 0.02 0.00 0.00 55.36 55.38 1wx6 s GLN 63 Cb 0.00 -3.05 -0.04 0.00 1.00 0.00 0.00 33.01 30.92 1wx6 s GLN 63 CO 0.00 0.62 -0.08 0.14 -2.12 0.00 0.00 175.29 173.85 1wx6 s VAL 64 N -1.35 3.51 0.11 1.09 -7.23 -1.26 -1.81 120.40 113.47 1wx6 s VAL 64 Ca 0.29 -1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 59.33 1wx6 s VAL 64 Cb -0.13 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.26 1wx6 s VAL 64 CO 0.17 0.25 0.54 0.61 -0.31 0.00 0.00 175.10 176.36 1wx6 n GLY 65 N 1.12 1.00 3.51 2.32 0.00 -1.14 -4.87 105.19 107.12 1wx6 n GLY 65 Ca -0.14 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 4.60 -0.08 0.99 1.43 0.12 -3.14 118.68 122.61 1wx6 s LEU 66 Ca 0.12 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1wx6 s LEU 66 Cb -0.02 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 1wx6 s LEU 66 CO 0.03 -0.70 -0.07 0.54 0.23 0.00 0.00 176.35 176.38 1wx6 s VAL 67 N 2.59 3.66 -0.05 -1.59 0.11 0.43 -3.21 120.40 122.33 1wx6 s VAL 67 Ca 0.19 -0.49 -0.30 0.00 -2.93 0.00 0.00 61.98 58.45 1wx6 s VAL 67 Cb -0.15 -2.50 -0.05 0.00 -1.53 0.00 0.00 36.38 32.15 1wx6 s VAL 67 CO 0.17 0.59 1.49 -2.16 -3.33 0.00 0.00 175.10 171.86 1wx6 s PRO 68 N -0.67 4.23 0.13 1.54 0.04 -1.26 0.11 135.00 139.11 1wx6 s PRO 68 Ca 0.10 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 1wx6 s PRO 68 Cb -0.11 -3.78 -0.03 0.00 0.04 0.00 0.00 34.50 30.62 1wx6 s PRO 68 CO 0.02 -0.72 1.53 1.57 0.04 0.00 0.00 177.00 179.43 1wx6 h LYS 69 N 8.64 0.79 0.00 4.56 2.10 -1.86 -2.55 116.57 128.24 1wx6 h LYS 69 Ca -0.36 -0.31 0.00 0.00 -2.00 0.00 0.00 60.65 57.97 1wx6 h LYS 69 Cb 1.16 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1wx6 h LYS 69 CO 0.94 0.93 0.28 -2.95 -2.00 0.00 0.00 179.45 176.65 1wx6 h ASN 70 N 0.61 0.00 0.23 7.07 7.08 -1.92 0.45 115.58 129.10 1wx6 h ASN 70 Ca 0.10 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.10 1wx6 h ASN 70 Cb 0.65 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.85 1wx6 h ASN 70 CO 0.04 0.00 -1.98 -1.22 -2.08 0.00 0.00 177.43 172.19 1wx6 n TYR 71 N -2.44 0.34 -3.59 4.14 4.02 -0.98 -4.98 117.16 113.67 1wx6 n TYR 71 Ca -0.01 0.11 -0.24 0.00 -0.01 0.00 0.00 57.90 57.75 1wx6 n TYR 71 Cb 0.31 -0.92 0.02 0.00 -0.02 0.00 0.00 39.34 38.73 1wx6 n TYR 71 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1wx6 s VAL 72 N -2.86 1.78 -0.17 -0.72 -7.23 0.16 -2.12 120.40 109.24 1wx6 s VAL 72 Ca -0.07 -1.32 -0.17 0.00 -1.81 0.00 0.00 61.98 58.61 1wx6 s VAL 72 Cb 0.09 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 34.98 1wx6 s VAL 72 CO 0.84 0.00 0.48 0.68 -0.31 0.00 0.00 175.10 176.79 1wx6 s VAL 73 N -2.75 0.00 -0.19 1.32 -7.23 -0.65 -4.87 120.40 106.03 1wx6 s VAL 73 Ca 0.43 -0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.29 1wx6 s VAL 73 Cb -0.03 -0.67 0.00 0.00 0.56 0.00 0.00 36.38 36.23 1wx6 s VAL 73 CO 0.27 -0.01 1.07 -0.69 -0.31 0.00 0.00 175.10 175.43 1wx6 s VAL 74 N 0.16 4.63 -0.15 1.32 1.01 -1.26 -0.50 120.40 125.60 1wx6 s VAL 74 Ca -0.01 1.95 -0.12 0.00 0.00 0.00 0.00 61.98 63.80 1wx6 s VAL 74 Cb -0.03 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 1wx6 s VAL 74 CO 0.01 -0.13 -0.06 -0.07 0.00 0.00 0.00 175.10 174.85 1wx6 h LEU 75 N 9.18 0.00 0.00 3.92 3.38 -1.25 -3.49 115.31 127.05 1wx6 h LEU 75 Ca -0.23 -0.14 -0.47 0.00 0.09 0.00 0.00 57.88 57.14 1wx6 h LEU 75 Cb 1.09 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 1wx6 h LEU 75 CO 0.95 0.92 -0.40 -1.20 0.09 0.00 0.00 178.44 178.81 1wx6 n SER 76 N -4.58 1.04 -3.85 -0.43 7.64 -1.21 -5.05 113.62 107.18 1wx6 n SER 76 Ca -0.13 -2.85 -0.30 0.00 1.01 0.00 0.00 58.87 56.60 1wx6 n SER 76 Cb 0.35 0.92 -0.15 0.00 -1.01 0.00 0.00 64.21 64.32 1wx6 n SER 76 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wx6 s ASP 77 N -3.12 4.13 0.00 6.43 1.01 -1.26 -3.10 116.67 120.76 1wx6 s ASP 77 Ca 0.19 -1.64 0.00 0.00 0.71 0.00 0.00 52.55 51.81 1wx6 s ASP 77 Cb 0.01 -1.12 0.00 0.00 1.01 0.00 0.00 42.92 42.82 1wx6 s ASP 77 CO 0.13 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.76 1wx6 n GLY 78 N 4.66 2.24 3.56 0.21 0.00 -1.14 -4.66 105.19 110.06 1wx6 n GLY 78 Ca -0.03 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 1wx6 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wx6 s PRO 79 N -4.39 2.55 -1.48 1.61 0.04 -1.26 -3.74 135.00 128.33 1wx6 s PRO 79 Ca 0.00 -0.28 -0.09 0.00 0.04 0.00 0.00 61.00 60.67 1wx6 s PRO 79 Cb 0.00 -5.06 0.06 0.00 0.04 0.00 0.00 34.50 29.55 1wx6 s PRO 79 CO 0.00 -3.38 0.84 0.00 0.04 0.00 0.00 177.00 174.50 1wx6 n ALA 80 N 13.98 -1.55 -1.16 8.56 0.00 -1.26 -4.82 120.51 134.27 1wx6 n ALA 80 Ca 0.40 0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.49 1wx6 n ALA 80 Cb 0.47 -3.44 -0.01 0.00 0.00 0.00 0.00 19.45 16.47 1wx6 n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wx6 n LEU 81 N -4.53 -1.73 -3.79 0.00 -0.00 -1.25 -1.81 117.00 103.90 1wx6 n LEU 81 Ca -0.08 0.84 -0.28 0.00 -0.00 0.00 0.00 56.01 56.50 1wx6 n LEU 81 Cb 0.58 -0.79 0.02 0.00 -0.00 0.00 0.00 43.42 43.23 1wx6 n LEU 81 CO 0.75 -3.06 -0.14 1.41 -0.00 0.00 0.00 177.39 176.36 1wx6 n HIS 82 N -0.41 -1.80 -0.79 1.96 8.25 -1.26 -4.96 115.22 116.20 1wx6 n HIS 82 Ca 0.13 0.62 -0.16 0.00 -0.26 0.00 0.00 57.72 58.05 1wx6 n HIS 82 Cb 0.27 -3.70 0.13 0.00 1.12 0.00 0.00 29.99 27.82 1wx6 n HIS 82 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1wx6 n PRO 83 N -4.28 -2.15 -2.40 -0.41 -0.04 -0.75 -5.06 135.00 119.91 1wx6 n PRO 83 Ca -0.21 -0.93 -0.25 0.00 -0.04 0.00 0.00 63.50 62.08 1wx6 n PRO 83 Cb 0.64 -0.87 0.11 0.00 -0.04 0.00 0.00 33.50 33.35 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 -3.00 3.32 -0.07 0.55 0.00 -1.26 -5.07 121.76 116.24 1wx6 s ALA 84 Ca 0.38 -1.48 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 1wx6 s ALA 84 Cb -0.04 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 1wx6 s ALA 84 CO 0.29 -1.60 -0.06 0.45 0.00 0.00 0.00 175.76 174.84 1wx6 h HIS 85 N -0.74 0.00 -2.93 0.00 -0.00 -2.04 -3.49 115.15 105.94 1wx6 h HIS 85 Ca -0.40 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 59.87 1wx6 h HIS 85 Cb 1.27 0.00 -0.19 0.00 -0.00 0.00 0.00 27.41 28.49 1wx6 h HIS 85 CO -0.29 0.00 -0.20 -1.12 -0.00 0.00 0.00 177.93 176.32 1wx6 s SER 86 N -4.61 -0.25 0.00 2.45 0.01 -1.26 -5.18 113.70 104.86 1wx6 s SER 86 Ca -0.05 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1wx6 s SER 86 Cb 0.01 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1wx6 s SER 86 CO 0.07 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1wx6 n GLY 87 N 1.10 5.23 3.75 3.44 0.00 -1.26 -5.09 105.19 112.35 1wx6 n GLY 87 Ca -0.21 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 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 1.98 4.42 0.20 1.61 0.04 -1.26 -5.02 135.00 136.97 1wx6 s PRO 88 Ca 0.00 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 1wx6 s PRO 88 Cb 0.00 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.42 1wx6 s PRO 88 CO 0.00 -0.16 0.79 0.45 0.04 0.00 0.00 177.00 178.12 1wx6 s SER 89 N -0.05 -0.29 0.91 6.66 0.15 -1.26 -5.16 113.70 114.66 1wx6 s SER 89 Ca 0.53 -0.40 -0.14 0.00 0.70 0.00 0.00 55.95 56.64 1wx6 s SER 89 Cb -0.36 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 64.56 1wx6 s SER 89 CO 0.42 -1.09 0.37 -0.24 1.20 0.00 0.00 173.24 173.90 1wx6 n SER 90 N -0.43 -2.12 0.00 5.45 2.88 -1.26 -5.32 113.62 112.81 1wx6 n SER 90 Ca -0.07 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1wx6 n SER 90 Cb 0.61 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1wx6 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42