#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 6.92 0.17 1.61 0.15 -1.26 -4.98 113.70 116.31 1wx6 s SER 2 Ca 0.00 1.56 -0.15 0.00 0.70 0.00 0.00 55.95 58.06 1wx6 s SER 2 Cb 0.00 -2.49 0.13 0.00 -1.71 0.00 0.00 66.02 61.95 1wx6 s SER 2 CO 0.00 -0.28 1.72 -1.28 1.20 0.00 0.00 173.24 174.60 1wx6 h SER 3 N 2.15 -0.01 0.00 5.45 0.87 -2.13 -3.47 113.55 116.40 1wx6 h SER 3 Ca -0.48 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1wx6 h SER 3 Cb 1.18 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1wx6 h SER 3 CO 0.63 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 177.57 1wx6 n GLY 4 N -1.26 3.48 3.89 5.77 0.00 -1.26 -5.20 105.19 110.62 1wx6 n GLY 4 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 1wx6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wx6 s SER 5 N 2.00 -0.01 -0.16 1.61 1.04 -1.26 -5.09 113.70 111.83 1wx6 s SER 5 Ca 0.00 -0.43 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 1wx6 s SER 5 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 1wx6 s SER 5 CO 0.00 -0.66 -0.23 -0.24 0.98 0.00 0.00 173.24 173.09 1wx6 n SER 6 N -1.06 1.85 0.00 7.02 2.88 -1.26 -5.11 113.62 117.94 1wx6 n SER 6 Ca -0.01 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1wx6 n SER 6 Cb 0.59 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1wx6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wx6 n GLY 7 N 1.56 3.56 3.56 0.46 0.00 -1.26 -5.09 105.19 107.98 1wx6 n GLY 7 Ca -0.10 -0.65 -0.48 0.00 0.00 0.00 0.00 46.02 44.79 1wx6 n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wx6 n LEU 8 N 0.00 2.80 -4.49 0.99 -0.00 -1.26 -4.93 117.00 110.11 1wx6 n LEU 8 Ca 0.00 0.54 -0.37 0.00 -0.00 0.00 0.00 56.01 56.19 1wx6 n LEU 8 Cb 0.00 -1.36 -0.12 0.00 -0.00 0.00 0.00 43.42 41.94 1wx6 n LEU 8 CO 0.00 -0.51 -0.25 -0.94 -0.00 0.00 0.00 177.39 175.68 1wx6 s SER 9 N 6.51 5.37 0.03 1.96 1.04 -1.26 -5.08 113.70 122.27 1wx6 s SER 9 Ca 1.02 -0.14 -0.24 0.00 0.48 0.00 0.00 55.95 57.07 1wx6 s SER 9 Cb -0.69 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 1wx6 s SER 9 CO 0.47 -0.02 0.74 0.54 0.98 0.00 0.00 173.24 175.95 1wx6 s ASN 10 N 1.55 7.17 0.00 7.02 4.22 -1.26 -4.84 114.94 128.79 1wx6 s ASN 10 Ca 0.06 1.40 0.00 0.00 -2.14 0.00 0.00 52.86 52.18 1wx6 s ASN 10 Cb -0.15 -2.45 0.00 0.00 1.28 0.00 0.00 41.25 39.93 1wx6 s ASN 10 CO 0.05 0.01 0.00 0.61 -2.04 0.00 0.00 177.10 175.73 1wx6 n GLY 11 N 2.45 0.47 0.74 0.45 0.00 -1.26 -4.91 105.19 103.13 1wx6 n GLY 11 Ca -0.03 -1.15 -0.03 0.00 0.00 0.00 0.00 46.02 44.81 1wx6 n GLY 11 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wx6 n GLN 12 N 0.00 0.07 0.00 1.61 7.27 -1.26 -5.14 117.38 119.93 1wx6 n GLN 12 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1wx6 n GLN 12 Cb 0.00 -0.70 0.00 0.00 2.41 0.00 0.00 30.24 31.95 1wx6 n GLN 12 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wx6 n GLY 13 N 2.89 0.37 3.80 1.69 0.00 -1.26 -5.08 105.19 107.60 1wx6 n GLY 13 Ca -0.06 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 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 4.82 0.33 1.61 1.04 -1.26 -5.08 113.70 111.15 1wx6 s SER 14 Ca 0.00 1.57 0.01 0.00 0.48 0.00 0.00 55.95 58.01 1wx6 s SER 14 Cb 0.00 -2.36 -0.00 0.00 0.10 0.00 0.00 66.02 63.76 1wx6 s SER 14 CO 0.00 -1.80 0.03 0.54 0.98 0.00 0.00 173.24 172.99 1wx6 n ARG 15 N -3.35 1.01 -2.88 4.02 3.00 -1.26 -5.08 116.66 112.13 1wx6 n ARG 15 Ca 0.08 -2.48 -0.42 0.00 -0.01 0.00 0.00 57.85 55.01 1wx6 n ARG 15 Cb 0.54 0.87 -0.04 0.00 0.00 0.00 0.00 32.46 33.83 1wx6 n ARG 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wx6 s VAL 16 N -2.36 4.72 -0.12 1.55 1.01 -1.26 -4.13 120.40 119.81 1wx6 s VAL 16 Ca 0.04 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.23 1wx6 s VAL 16 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1wx6 s VAL 16 CO 0.03 -0.32 -0.15 -0.07 0.00 0.00 0.00 175.10 174.59 1wx6 h LEU 17 N 9.63 0.00 -7.26 3.92 3.38 -0.56 -3.41 115.31 121.01 1wx6 h LEU 17 Ca -0.23 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 1wx6 h LEU 17 Cb 1.09 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.63 1wx6 h LEU 17 CO 0.92 0.65 -0.10 -1.00 0.09 0.00 0.00 178.44 179.00 1wx6 s HIS 18 N -2.06 -0.46 -0.11 1.13 3.76 -1.25 -2.01 115.29 114.29 1wx6 s HIS 18 Ca -0.12 0.97 -0.22 0.00 -0.15 0.00 0.00 55.06 55.53 1wx6 s HIS 18 Cb 0.02 0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.88 1wx6 s HIS 18 CO 0.18 -0.38 0.67 0.08 -0.85 0.00 0.00 174.74 174.44 1wx6 s VAL 19 N -0.55 5.04 0.20 -0.90 1.01 -1.24 -0.53 120.40 123.44 1wx6 s VAL 19 Ca -0.07 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.35 1wx6 s VAL 19 Cb -0.03 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1wx6 s VAL 19 CO 0.04 0.21 -0.16 0.68 0.00 0.00 0.00 175.10 175.87 1wx6 s VAL 20 N 1.14 1.84 0.10 2.92 -7.23 -0.98 -0.93 120.40 117.26 1wx6 s VAL 20 Ca 0.34 -2.16 0.10 0.00 -1.81 0.00 0.00 61.98 58.45 1wx6 s VAL 20 Cb -0.17 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 1wx6 s VAL 20 CO 0.15 -0.51 -0.25 -1.58 -0.31 0.00 0.00 175.10 172.60 1wx6 s GLN 21 N -3.43 1.42 -0.36 4.82 0.74 -0.41 -1.11 119.66 121.34 1wx6 s GLN 21 Ca 0.22 -1.21 -0.20 0.00 0.05 0.00 0.00 55.36 54.22 1wx6 s GLN 21 Cb -0.02 -1.76 0.00 0.00 1.10 0.00 0.00 33.01 32.33 1wx6 s GLN 21 CO 0.08 0.43 0.60 0.95 -0.55 0.00 0.00 175.29 176.80 1wx6 s THR 22 N -1.00 4.92 0.07 -0.34 -4.23 0.62 -1.55 115.64 114.13 1wx6 s THR 22 Ca 0.11 0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 60.98 1wx6 s THR 22 Cb -0.10 -4.05 -0.25 0.00 1.34 0.00 0.00 72.50 69.45 1wx6 s THR 22 CO 0.04 -0.29 1.16 -0.07 -0.54 0.00 0.00 174.62 174.92 1wx6 h LEU 23 N 9.30 0.90 -8.67 4.79 3.38 -1.49 0.22 115.31 123.74 1wx6 h LEU 23 Ca -0.27 -0.76 -0.63 0.00 0.09 0.00 0.00 57.88 56.31 1wx6 h LEU 23 Cb 1.11 -0.28 -0.25 0.00 0.09 0.00 0.00 40.66 41.34 1wx6 h LEU 23 CO 0.82 1.55 -0.86 -0.31 0.09 0.00 0.00 178.44 179.73 1wx6 s TYR 24 N -3.22 2.05 -0.08 1.13 1.51 -1.25 -4.44 117.35 113.04 1wx6 s TYR 24 Ca -0.10 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.27 1wx6 s TYR 24 Cb 0.06 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1wx6 s TYR 24 CO 0.92 0.14 1.51 -1.25 -1.11 0.00 0.00 175.55 175.77 1wx6 s PRO 25 N -1.38 4.21 -0.32 -1.71 0.04 -1.26 -4.63 135.00 129.95 1wx6 s PRO 25 Ca 0.10 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.17 1wx6 s PRO 25 Cb -0.09 -3.87 0.09 0.00 0.04 0.00 0.00 34.50 30.67 1wx6 s PRO 25 CO 0.03 -0.78 0.05 0.12 0.04 0.00 0.00 177.00 176.46 1wx6 s PHE 26 N 3.70 2.87 -0.20 0.56 2.19 -1.25 -4.92 117.98 120.93 1wx6 s PHE 26 Ca 0.67 -2.40 -0.06 0.00 0.33 0.00 0.00 56.93 55.48 1wx6 s PHE 26 Cb -0.30 -2.32 -0.03 0.00 -1.31 0.00 0.00 43.02 39.06 1wx6 s PHE 26 CO 0.25 -0.90 0.01 0.45 1.83 0.00 0.00 175.22 176.86 1wx6 s SER 27 N 1.22 5.00 0.44 6.13 0.15 -1.26 -3.17 113.70 122.20 1wx6 s SER 27 Ca 0.08 -0.15 0.08 0.00 0.70 0.00 0.00 55.95 56.66 1wx6 s SER 27 Cb -0.18 -1.86 -0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1wx6 s SER 27 CO -0.14 0.08 0.46 -0.55 1.20 0.00 0.00 173.24 174.30 1wx6 s SER 28 N 0.89 5.20 -0.22 5.45 0.15 -1.26 -5.06 113.70 118.86 1wx6 s SER 28 Ca 0.02 -0.69 0.11 0.00 0.70 0.00 0.00 55.95 56.09 1wx6 s SER 28 Cb -0.14 -0.48 -0.21 0.00 -1.71 0.00 0.00 66.02 63.48 1wx6 s SER 28 CO 0.02 -0.76 -0.05 0.52 1.20 0.00 0.00 173.24 174.18 1wx6 n VAL 29 N -1.69 1.39 -2.46 4.45 0.31 -1.26 -4.96 118.33 114.10 1wx6 n VAL 29 Ca 0.05 -0.72 -0.23 0.00 -0.01 0.00 0.00 64.34 63.43 1wx6 n VAL 29 Cb 0.61 -0.83 0.07 0.00 -0.91 0.00 0.00 33.84 32.77 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 -2.49 2.42 0.05 2.52 -1.32 -1.26 -5.02 115.64 110.54 1wx6 s THR 30 Ca -0.19 -0.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 1wx6 s THR 30 Cb 0.07 -2.91 -0.26 0.00 -1.51 0.00 0.00 72.50 67.89 1wx6 s THR 30 CO 0.72 0.00 1.04 -0.33 -2.21 0.00 0.00 174.62 173.84 1wx6 h GLU 31 N -0.32 0.17 -0.81 7.08 3.07 -1.99 -3.34 114.58 118.45 1wx6 h GLU 31 Ca -0.42 -0.30 0.19 0.00 -0.50 0.00 0.00 59.36 58.33 1wx6 h GLU 31 Cb 1.30 0.11 -0.15 0.00 -0.84 0.00 0.00 28.75 29.17 1wx6 h GLU 31 CO 0.52 1.07 -0.02 0.93 -1.40 0.00 0.00 179.01 180.10 1wx6 h GLU 32 N 0.05 0.07 -6.99 2.33 5.08 -1.95 -3.40 114.58 109.76 1wx6 h GLU 32 Ca -0.15 -0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.72 1wx6 h GLU 32 Cb 1.94 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.19 1wx6 h GLU 32 CO 0.16 0.05 0.22 -1.21 -1.00 0.00 0.00 179.01 177.23 1wx6 s GLU 33 N -6.12 3.83 0.20 2.33 2.02 -1.25 -0.18 118.70 119.52 1wx6 s GLU 33 Ca -0.14 0.65 -0.17 0.00 0.02 0.00 0.00 54.97 55.34 1wx6 s GLU 33 Cb 0.24 -2.29 -0.08 0.00 0.10 0.00 0.00 34.13 32.10 1wx6 s GLU 33 CO 0.76 -0.14 0.65 -0.51 0.02 0.00 0.00 175.26 176.04 1wx6 s LEU 34 N -3.98 4.31 -0.23 1.80 1.43 -1.19 -4.64 118.68 116.18 1wx6 s LEU 34 Ca 0.54 1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 54.86 1wx6 s LEU 34 Cb -0.10 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1wx6 s LEU 34 CO 0.32 0.04 -0.06 0.20 0.23 0.00 0.00 176.35 177.08 1wx6 s ASN 35 N -1.75 4.24 0.25 2.29 0.01 -1.26 -4.27 114.94 114.46 1wx6 s ASN 35 Ca 0.42 -0.63 0.01 0.00 -0.71 0.00 0.00 52.86 51.95 1wx6 s ASN 35 Cb -0.15 -1.69 -0.00 0.00 0.41 0.00 0.00 41.25 39.81 1wx6 s ASN 35 CO 0.20 -0.07 0.32 2.22 -1.51 0.00 0.00 177.10 178.25 1wx6 n PHE 36 N 4.74 -1.02 -4.67 2.20 1.16 -1.19 -4.98 117.46 113.70 1wx6 n PHE 36 Ca -0.18 -1.82 -0.30 0.00 -1.87 0.00 0.00 57.45 53.28 1wx6 n PHE 36 Cb 0.49 0.35 -0.08 0.00 -1.61 0.00 0.00 39.48 38.64 1wx6 n PHE 36 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1wx6 s GLU 37 N -2.70 2.11 0.03 3.97 -1.05 -1.26 -3.77 118.70 116.04 1wx6 s GLU 37 Ca 0.23 -2.34 -0.30 0.00 -0.15 0.00 0.00 54.97 52.41 1wx6 s GLU 37 Cb -0.00 -1.16 -0.07 0.00 -0.44 0.00 0.00 34.13 32.46 1wx6 s GLU 37 CO 0.17 -0.43 1.54 0.21 0.95 0.00 0.00 175.26 177.70 1wx6 s LYS 38 N -3.81 4.23 0.00 -4.83 2.20 -1.26 -3.07 119.74 113.20 1wx6 s LYS 38 Ca 0.11 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 1wx6 s LYS 38 Cb 0.01 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1wx6 s LYS 38 CO 0.07 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1wx6 n GLY 39 N 3.86 0.85 3.55 5.54 0.00 0.77 -4.96 105.19 114.80 1wx6 n GLY 39 Ca 0.15 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.43 3.37 0.20 1.61 -6.30 -1.17 -4.87 118.70 107.11 1wx6 s GLU 40 Ca 0.00 -0.51 -0.07 0.00 -2.50 0.00 0.00 54.97 51.90 1wx6 s GLU 40 Cb 0.00 -2.83 -0.06 0.00 0.00 0.00 0.00 34.13 31.24 1wx6 s GLU 40 CO 0.00 0.41 0.48 0.99 0.02 0.00 0.00 175.26 177.16 1wx6 s THR 41 N -0.09 5.04 0.20 -1.70 2.01 -1.26 -0.28 115.64 119.57 1wx6 s THR 41 Ca 0.02 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.19 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 0.02 -0.07 0.34 0.23 -0.69 0.00 0.00 174.62 174.45 1wx6 n MET 42 N -0.19 0.49 -3.86 4.92 2.81 -0.27 -4.67 117.12 116.35 1wx6 n MET 42 Ca -0.01 -1.41 -0.16 0.00 -1.81 0.00 0.00 57.70 54.31 1wx6 n MET 42 Cb 0.52 1.50 -0.16 0.00 -0.71 0.00 0.00 33.22 34.38 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 -2.28 0.13 -0.34 0.03 8.01 -1.25 -2.31 118.70 120.68 1wx6 s GLU 43 Ca 0.13 0.12 -0.29 0.00 0.01 0.00 0.00 54.97 54.94 1wx6 s GLU 43 Cb -0.01 -0.34 -0.00 0.00 -4.31 0.00 0.00 34.13 29.46 1wx6 s GLU 43 CO 0.09 -0.14 1.47 0.08 0.01 0.00 0.00 175.26 176.78 1wx6 s VAL 44 N 0.97 3.87 -0.07 2.63 1.01 0.31 -2.85 120.40 126.26 1wx6 s VAL 44 Ca -0.09 0.93 0.14 0.00 0.00 0.00 0.00 61.98 62.96 1wx6 s VAL 44 Cb -0.12 -4.03 -0.19 0.00 0.00 0.00 0.00 36.38 32.03 1wx6 s VAL 44 CO -0.02 -0.57 0.76 0.16 0.00 0.00 0.00 175.10 175.43 1wx6 h ILE 45 N 6.34 0.74 -2.21 2.22 3.07 -1.37 0.37 117.51 126.67 1wx6 h ILE 45 Ca -0.29 -2.44 0.17 0.00 1.55 0.00 0.00 64.86 63.85 1wx6 h ILE 45 Cb 1.12 2.28 -0.11 0.00 -0.27 0.00 0.00 36.82 39.84 1wx6 h ILE 45 CO 1.05 0.42 0.53 -0.70 -1.05 0.00 0.00 178.15 178.40 1wx6 s GLU 46 N -2.73 0.98 -0.11 0.16 2.56 -1.06 -4.18 118.70 114.31 1wx6 s GLU 46 Ca -0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 54.97 54.43 1wx6 s GLU 46 Cb 0.08 0.36 0.03 0.00 2.00 0.00 0.00 34.13 36.61 1wx6 s GLU 46 CO 0.82 -0.44 -0.05 0.15 -0.56 0.00 0.00 175.26 175.18 1wx6 s LYS 47 N -3.13 1.26 -0.02 4.30 1.02 -1.26 -1.46 119.74 120.46 1wx6 s LYS 47 Ca 0.10 -0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.58 1wx6 s LYS 47 Cb -0.01 -1.52 -0.05 0.00 -0.52 0.00 0.00 37.83 35.73 1wx6 s LYS 47 CO -0.02 -0.31 1.46 -1.25 -0.92 0.00 0.00 175.35 174.31 1wx6 s PRO 48 N 1.77 4.25 -0.00 -1.68 0.04 -1.26 -4.96 135.00 133.16 1wx6 s PRO 48 Ca 0.04 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1wx6 s PRO 48 Cb -0.13 -3.67 -0.06 0.00 0.04 0.00 0.00 34.50 30.67 1wx6 s PRO 48 CO -0.07 -0.66 0.78 1.49 0.04 0.00 0.00 177.00 178.58 1wx6 h GLU 49 N 8.25 -0.41 -0.94 4.56 4.22 -1.98 -3.14 114.58 125.15 1wx6 h GLU 49 Ca -0.37 0.03 0.20 0.00 0.08 0.00 0.00 59.36 59.29 1wx6 h GLU 49 Cb 1.17 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 30.34 1wx6 h GLU 49 CO 0.92 -0.27 -0.20 0.09 -2.18 0.00 0.00 179.01 177.37 1wx6 n ASN 50 N -3.68 -0.31 -4.09 1.04 4.13 -1.26 -2.57 115.26 108.53 1wx6 n ASN 50 Ca -0.05 1.61 -0.36 0.00 1.68 0.00 0.00 54.58 57.46 1wx6 n ASN 50 Cb 0.17 -0.50 -0.08 0.00 -1.54 0.00 0.00 39.78 37.82 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 -5.21 5.54 0.46 6.41 1.01 -1.23 -4.90 116.67 118.74 1wx6 s ASP 51 Ca -0.14 -3.28 0.24 0.00 0.71 0.00 0.00 52.55 50.08 1wx6 s ASP 51 Cb 0.26 -1.87 1.04 0.00 1.01 0.00 0.00 42.92 43.36 1wx6 s ASP 51 CO 0.73 -0.27 1.88 1.55 0.21 0.00 0.00 175.17 179.27 1wx6 h PRO 52 N 6.51 0.00 0.00 8.23 0.13 -1.44 -2.64 132.00 142.78 1wx6 h PRO 52 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1wx6 h PRO 52 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1wx6 h PRO 52 CO 0.77 0.21 0.00 0.39 -0.23 0.00 0.00 178.00 179.14 1wx6 n GLU 53 N -3.47 0.15 -4.32 0.86 -0.58 -1.26 -4.69 120.64 107.33 1wx6 n GLU 53 Ca -0.00 0.40 -0.29 0.00 -0.42 0.00 0.00 57.16 56.85 1wx6 n GLU 53 Cb 0.39 -1.80 -0.12 0.00 -0.57 0.00 0.00 31.44 29.35 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 -3.26 2.50 0.08 -0.32 0.52 -1.00 -3.13 118.94 114.34 1wx6 s TRP 54 Ca 0.04 -0.28 0.07 0.00 0.02 0.00 0.00 56.10 55.95 1wx6 s TRP 54 Cb 0.09 -1.33 -0.03 0.00 -1.15 0.00 0.00 33.47 31.04 1wx6 s TRP 54 CO 0.35 0.38 -0.18 -1.58 0.02 0.00 0.00 176.95 175.94 1wx6 s TRP 55 N -1.13 1.54 -0.36 -1.98 0.51 0.87 -4.22 118.94 114.16 1wx6 s TRP 55 Ca 0.17 -0.42 -0.16 0.00 -2.12 0.00 0.00 56.10 53.58 1wx6 s TRP 55 Cb -0.10 -0.86 -0.00 0.00 -0.81 0.00 0.00 33.47 31.69 1wx6 s TRP 55 CO 0.09 0.13 0.37 0.21 -0.51 0.00 0.00 176.95 177.24 1wx6 s LYS 56 N -1.71 3.44 0.38 4.98 2.20 -0.53 -0.63 119.74 127.88 1wx6 s LYS 56 Ca 0.03 -0.52 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1wx6 s LYS 56 Cb -0.10 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 1wx6 s LYS 56 CO 0.03 -0.60 0.14 0.00 -0.36 0.00 0.00 175.35 174.56 1wx6 s LYS 58 N -3.72 1.19 0.58 0.00 2.20 -1.13 -2.40 119.74 116.45 1wx6 s LYS 58 Ca 0.27 -0.23 -0.10 0.00 -0.36 0.00 0.00 55.97 55.56 1wx6 s LYS 58 Cb 0.03 -1.08 0.14 0.00 -1.51 0.00 0.00 37.83 35.42 1wx6 s LYS 58 CO 0.16 -0.04 0.58 0.27 -0.36 0.00 0.00 175.35 175.95 1wx6 n ASN 59 N 3.97 -1.10 0.09 1.43 0.23 -0.40 -3.86 115.26 115.63 1wx6 n ASN 59 Ca -0.24 -0.95 0.13 0.00 -0.53 0.00 0.00 54.58 52.99 1wx6 n ASN 59 Cb 0.51 -0.50 0.45 0.00 -2.08 0.00 0.00 39.78 38.16 1wx6 n ASN 59 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wx6 n ALA 60 N -3.79 2.11 0.33 -2.53 0.00 -1.26 -2.84 120.51 112.53 1wx6 n ALA 60 Ca -0.10 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1wx6 n ALA 60 Cb 0.29 -1.44 0.21 0.00 0.00 0.00 0.00 19.45 18.51 1wx6 n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wx6 h ARG 61 N 0.00 0.00 0.00 0.00 3.08 -1.98 -3.47 114.38 112.01 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 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1wx6 h ARG 61 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1wx6 n GLY 62 N 1.18 1.46 3.48 0.04 0.00 -1.13 -5.10 105.19 105.11 1wx6 n GLY 62 Ca 0.04 -0.08 -0.32 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 -0.75 2.44 0.11 1.61 -1.52 -1.26 -4.93 119.66 115.36 1wx6 s GLN 63 Ca 0.00 -0.74 0.05 0.00 -1.95 0.00 0.00 55.36 52.73 1wx6 s GLN 63 Cb 0.00 -2.35 -0.04 0.00 -0.22 0.00 0.00 33.01 30.40 1wx6 s GLN 63 CO 0.00 0.61 -0.00 0.14 -0.25 0.00 0.00 175.29 175.79 1wx6 s VAL 64 N -0.77 3.93 0.15 1.09 -7.23 -1.26 -1.27 120.40 115.05 1wx6 s VAL 64 Ca 0.12 -1.10 -0.19 0.00 -1.81 0.00 0.00 61.98 59.00 1wx6 s VAL 64 Cb -0.11 -2.90 0.07 0.00 0.56 0.00 0.00 36.38 34.00 1wx6 s VAL 64 CO 0.01 0.06 0.91 0.61 -0.31 0.00 0.00 175.10 176.38 1wx6 n GLY 65 N 0.39 0.67 3.58 2.32 0.00 -1.01 -4.84 105.19 106.30 1wx6 n GLY 65 Ca -0.11 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 4.20 -0.05 0.99 1.43 0.74 -3.05 118.68 122.93 1wx6 s LEU 66 Ca 0.20 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 1wx6 s LEU 66 Cb -0.02 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 1wx6 s LEU 66 CO 0.05 -0.67 -0.23 0.54 0.23 0.00 0.00 176.35 176.27 1wx6 s VAL 67 N 2.92 2.28 0.01 -1.59 0.11 0.20 -3.18 120.40 121.14 1wx6 s VAL 67 Ca 0.28 -0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 58.03 1wx6 s VAL 67 Cb -0.14 -1.84 -0.06 0.00 -1.53 0.00 0.00 36.38 32.81 1wx6 s VAL 67 CO 0.16 0.57 1.44 -2.16 -3.33 0.00 0.00 175.10 171.78 1wx6 s PRO 68 N -0.31 4.27 0.56 1.54 0.04 -1.26 -0.09 135.00 139.74 1wx6 s PRO 68 Ca 0.01 2.02 0.34 0.00 0.04 0.00 0.00 61.00 63.41 1wx6 s PRO 68 Cb -0.13 -3.58 1.59 0.00 0.04 0.00 0.00 34.50 32.42 1wx6 s PRO 68 CO 0.02 -0.60 2.08 1.57 0.04 0.00 0.00 177.00 180.11 1wx6 h LYS 69 N 7.93 0.00 0.00 4.56 2.10 -1.87 -2.06 116.57 127.23 1wx6 h LYS 69 Ca -0.38 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.23 1wx6 h LYS 69 Cb 1.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1wx6 h LYS 69 CO 0.91 0.04 -0.15 -0.91 -2.00 0.00 0.00 179.45 177.34 1wx6 h ASN 70 N 0.00 0.00 0.52 7.07 2.35 -1.91 -2.89 115.58 120.72 1wx6 h ASN 70 Ca -0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 1wx6 h ASN 70 Cb 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 1wx6 h ASN 70 CO 0.01 0.15 -1.63 -1.22 -1.65 0.00 0.00 177.43 173.09 1wx6 n TYR 71 N -3.35 0.77 -3.46 1.19 4.02 -0.79 -4.95 117.16 110.59 1wx6 n TYR 71 Ca -0.00 0.26 -0.22 0.00 -0.01 0.00 0.00 57.90 57.93 1wx6 n TYR 71 Cb 0.37 -1.04 0.02 0.00 -0.02 0.00 0.00 39.34 38.67 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 -2.87 2.03 -0.18 -0.72 -7.23 -1.09 -1.18 120.40 109.15 1wx6 s VAL 72 Ca -0.05 -1.25 -0.16 0.00 -1.81 0.00 0.00 61.98 58.71 1wx6 s VAL 72 Cb 0.09 -2.28 0.05 0.00 0.56 0.00 0.00 36.38 34.80 1wx6 s VAL 72 CO 0.82 0.00 0.49 0.68 -0.31 0.00 0.00 175.10 176.78 1wx6 s VAL 73 N -2.68 -0.00 -0.17 1.32 -7.23 -0.59 -4.85 120.40 106.19 1wx6 s VAL 73 Ca 0.48 0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 60.37 1wx6 s VAL 73 Cb -0.04 -0.68 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 1wx6 s VAL 73 CO 0.30 0.00 1.16 -0.69 -0.31 0.00 0.00 175.10 175.56 1wx6 s VAL 74 N 0.36 4.45 -0.12 1.32 1.01 -1.26 -1.28 120.40 124.88 1wx6 s VAL 74 Ca -0.01 1.76 -0.09 0.00 0.00 0.00 0.00 61.98 63.64 1wx6 s VAL 74 Cb -0.04 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1wx6 s VAL 74 CO -0.01 -0.13 -0.18 0.18 0.00 0.00 0.00 175.10 174.96 1wx6 n LEU 75 N 6.28 1.42 -4.82 3.92 4.77 -0.10 -4.99 117.00 123.47 1wx6 n LEU 75 Ca 0.13 0.45 -0.29 0.00 -0.03 0.00 0.00 56.01 56.27 1wx6 n LEU 75 Cb 0.46 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 1wx6 n LEU 75 CO 0.54 -0.43 -0.11 -0.55 -1.33 0.00 0.00 177.39 175.51 1wx6 s SER 76 N -5.30 4.39 -0.53 -1.43 0.15 -1.22 -5.04 113.70 104.72 1wx6 s SER 76 Ca -0.15 -1.39 0.03 0.00 0.70 0.00 0.00 55.95 55.14 1wx6 s SER 76 Cb 0.02 0.32 0.13 0.00 -1.71 0.00 0.00 66.02 64.79 1wx6 s SER 76 CO 0.22 -0.91 0.28 -1.81 1.20 0.00 0.00 173.24 172.22 1wx6 s ASP 77 N -4.05 4.43 0.00 5.45 1.01 -1.26 -3.65 116.67 118.59 1wx6 s ASP 77 Ca 0.23 -3.00 0.00 0.00 0.71 0.00 0.00 52.55 50.49 1wx6 s ASP 77 Cb 0.00 -1.67 0.00 0.00 1.01 0.00 0.00 42.92 42.27 1wx6 s ASP 77 CO 0.14 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.88 1wx6 n GLY 78 N 3.15 0.81 0.00 0.21 0.00 -0.85 -4.55 105.19 103.95 1wx6 n GLY 78 Ca 0.05 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.30 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 0.97 0.48 -3.24 1.61 -0.04 -1.26 -4.72 135.00 128.80 1wx6 n PRO 79 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1wx6 n PRO 79 Cb 0.00 -1.36 0.08 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.71 -2.12 0.55 0.00 -1.26 -4.95 120.51 110.17 1wx6 n ALA 80 Ca 0.08 -0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 1wx6 n ALA 80 Cb 0.04 -2.26 0.02 0.00 0.00 0.00 0.00 19.45 17.24 1wx6 n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wx6 n LEU 81 N -3.71 5.04 -3.55 0.00 4.77 -1.26 -4.94 117.00 113.36 1wx6 n LEU 81 Ca -0.24 -4.86 -0.20 0.00 -0.03 0.00 0.00 56.01 50.68 1wx6 n LEU 81 Cb 0.64 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1wx6 n LEU 81 CO 0.52 2.11 -0.01 1.41 -1.33 0.00 0.00 177.39 180.10 1wx6 n HIS 82 N -0.65 -2.08 -1.19 -1.77 8.25 -1.26 -4.97 115.22 111.54 1wx6 n HIS 82 Ca 0.44 0.82 -0.29 0.00 -0.26 0.00 0.00 57.72 58.42 1wx6 n HIS 82 Cb 0.85 -4.40 0.15 0.00 1.12 0.00 0.00 29.99 27.72 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 -5.53 0.97 0.95 -0.41 0.04 -1.26 -5.03 135.00 124.74 1wx6 s PRO 83 Ca 0.15 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.78 1wx6 s PRO 83 Cb -0.03 -1.78 0.16 0.00 0.04 0.00 0.00 34.50 32.89 1wx6 s PRO 83 CO 0.78 -2.41 1.09 0.00 0.04 0.00 0.00 177.00 176.50 1wx6 s ALA 84 N -2.95 1.20 -0.64 8.56 0.00 -1.26 -4.96 121.76 121.71 1wx6 s ALA 84 Ca 0.64 -0.22 -0.22 0.00 0.00 0.00 0.00 51.96 52.16 1wx6 s ALA 84 Cb -0.18 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 19.86 1wx6 s ALA 84 CO 0.57 -2.63 0.93 -3.38 0.00 0.00 0.00 175.76 171.25 1wx6 s HIS 85 N -2.94 2.72 0.12 0.00 -3.43 -1.26 -5.01 115.29 105.48 1wx6 s HIS 85 Ca 0.64 -0.54 0.08 0.00 -0.80 0.00 0.00 55.06 54.45 1wx6 s HIS 85 Cb -0.18 -4.23 -0.04 0.00 -1.43 0.00 0.00 32.58 26.70 1wx6 s HIS 85 CO 0.57 -1.58 -0.21 -1.12 -2.00 0.00 0.00 174.74 170.40 1wx6 s SER 86 N 3.58 2.61 0.00 7.38 0.01 -1.26 -4.97 113.70 121.06 1wx6 s SER 86 Ca 0.22 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1wx6 s SER 86 Cb -0.17 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1wx6 s SER 86 CO 0.11 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1wx6 n GLY 87 N 0.90 -0.78 0.00 3.44 0.00 -1.26 -4.39 105.19 103.11 1wx6 n GLY 87 Ca -0.18 -1.96 0.06 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 0.49 -1.10 1.61 -0.04 -1.26 -4.89 135.00 129.81 1wx6 n PRO 88 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1wx6 n PRO 88 Cb 0.00 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 1wx6 n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wx6 n SER 89 N -0.88 -0.69 0.04 3.54 3.41 -1.26 -4.75 113.62 113.03 1wx6 n SER 89 Ca 0.09 0.88 0.08 0.00 -0.26 0.00 0.00 58.87 59.65 1wx6 n SER 89 Cb 0.04 -0.73 0.33 0.00 -0.26 0.00 0.00 64.21 63.60 1wx6 n SER 89 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wx6 n SER 90 N 1.43 0.20 0.00 4.04 3.41 -1.26 -5.06 113.62 116.38 1wx6 n SER 90 Ca 0.14 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1wx6 n SER 90 Cb 0.16 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1wx6 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49