#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx6 n SER 2 N 0.00 0.99 -4.64 1.61 7.64 -1.26 -4.83 113.62 113.13 1wx6 n SER 2 Ca 0.00 0.55 -0.43 0.00 1.01 0.00 0.00 58.87 60.00 1wx6 n SER 2 Cb 0.00 -0.98 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 1wx6 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wx6 s SER 3 N 6.70 6.79 0.00 6.43 0.15 -1.26 -4.97 113.70 127.54 1wx6 s SER 3 Ca 1.19 1.22 0.00 0.00 0.70 0.00 0.00 55.95 59.06 1wx6 s SER 3 Cb -1.33 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 60.44 1wx6 s SER 3 CO 0.60 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1wx6 n GLY 4 N 4.08 1.04 3.88 9.45 0.00 -1.26 -5.10 105.19 117.27 1wx6 n GLY 4 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.17 6.57 0.46 1.61 0.15 -1.26 -5.10 113.70 115.95 1wx6 s SER 5 Ca 0.00 0.68 0.03 0.00 0.70 0.00 0.00 55.95 57.36 1wx6 s SER 5 Cb 0.00 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 1wx6 s SER 5 CO 0.00 0.18 0.03 -0.44 1.20 0.00 0.00 173.24 174.21 1wx6 s SER 6 N -1.87 3.68 0.47 5.45 0.01 -1.26 -5.06 113.70 115.13 1wx6 s SER 6 Ca 0.33 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 56.00 1wx6 s SER 6 Cb -0.13 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1wx6 s SER 6 CO 0.19 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.67 1wx6 n GLY 7 N -1.10 -3.00 3.51 3.44 0.00 -1.26 -4.55 105.19 102.23 1wx6 n GLY 7 Ca -0.13 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1wx6 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wx6 n LEU 8 N -3.95 1.86 -0.22 0.99 7.99 -1.26 -4.80 117.00 117.61 1wx6 n LEU 8 Ca -0.06 -0.01 0.01 0.00 -0.01 0.00 0.00 56.01 55.94 1wx6 n LEU 8 Cb 0.56 -1.33 0.12 0.00 -0.11 0.00 0.00 43.42 42.67 1wx6 n LEU 8 CO 0.03 -1.05 0.99 0.77 -1.51 0.00 0.00 177.39 176.62 1wx6 h SER 9 N 15.24 0.22 -2.78 -1.43 4.64 -1.98 -3.31 113.55 124.15 1wx6 h SER 9 Ca -0.22 0.09 -0.70 0.00 -0.47 0.00 0.00 61.79 60.49 1wx6 h SER 9 Cb 1.29 0.07 -0.19 0.00 -0.31 0.00 0.00 62.40 63.27 1wx6 h SER 9 CO 1.15 0.12 0.51 0.21 -0.87 0.00 0.00 176.83 177.95 1wx6 s ASN 10 N -5.37 6.48 0.00 4.97 3.84 -1.26 -4.83 114.94 118.76 1wx6 s ASN 10 Ca -0.13 -1.85 0.00 0.00 0.21 0.00 0.00 52.86 51.09 1wx6 s ASN 10 Cb 0.18 -2.35 0.00 0.00 -0.55 0.00 0.00 41.25 38.53 1wx6 s ASN 10 CO 0.75 -1.05 0.00 0.61 -2.79 0.00 0.00 177.10 174.61 1wx6 n GLY 11 N 5.18 3.22 3.36 1.21 0.00 -1.25 -5.02 105.19 111.90 1wx6 n GLY 11 Ca 0.11 -1.33 -0.45 0.00 0.00 0.00 0.00 46.02 44.34 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 -5.65 3.03 0.00 1.61 -1.52 -1.26 -4.62 119.66 111.25 1wx6 s GLN 12 Ca 0.00 -1.39 0.00 0.00 -1.95 0.00 0.00 55.36 52.02 1wx6 s GLN 12 Cb 0.00 -4.24 0.00 0.00 -0.22 0.00 0.00 33.01 28.55 1wx6 s GLN 12 CO 0.00 -1.38 0.00 0.41 -0.25 0.00 0.00 175.29 174.07 1wx6 n GLY 13 N 5.25 -0.85 3.74 3.09 0.00 -1.26 -4.68 105.19 110.48 1wx6 n GLY 13 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.61 4.87 0.30 1.61 0.01 -1.26 -5.04 113.70 111.57 1wx6 s SER 14 Ca 0.00 2.46 0.03 0.00 1.31 0.00 0.00 55.95 59.74 1wx6 s SER 14 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1wx6 s SER 14 CO 0.00 -1.82 0.13 -0.13 0.41 0.00 0.00 173.24 171.84 1wx6 s ARG 15 N -3.43 1.55 -0.07 12.44 0.52 -1.26 -5.12 118.95 123.58 1wx6 s ARG 15 Ca 0.79 -1.88 -0.30 0.00 -0.52 0.00 0.00 55.73 53.82 1wx6 s ARG 15 Cb -0.32 -0.21 -0.03 0.00 0.52 0.00 0.00 34.95 34.90 1wx6 s ARG 15 CO 0.37 -0.39 1.25 0.08 0.02 0.00 0.00 175.30 176.63 1wx6 s VAL 16 N -3.63 4.17 -0.15 3.52 1.01 -1.26 -4.42 120.40 119.64 1wx6 s VAL 16 Ca 0.36 1.48 -0.10 0.00 0.00 0.00 0.00 61.98 63.72 1wx6 s VAL 16 Cb 0.06 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1wx6 s VAL 16 CO 0.16 -0.03 -0.20 0.18 0.00 0.00 0.00 175.10 175.21 1wx6 n LEU 17 N 5.57 1.82 -3.69 3.92 4.77 0.14 -4.42 117.00 125.11 1wx6 n LEU 17 Ca 0.12 0.60 -0.14 0.00 -0.03 0.00 0.00 56.01 56.56 1wx6 n LEU 17 Cb 0.45 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 1wx6 n LEU 17 CO 0.56 -0.45 0.19 -1.00 -1.33 0.00 0.00 177.39 175.36 1wx6 s HIS 18 N -2.32 -0.52 -0.17 -1.77 3.76 -1.25 -2.23 115.29 110.79 1wx6 s HIS 18 Ca -0.16 1.19 -0.23 0.00 -0.15 0.00 0.00 55.06 55.70 1wx6 s HIS 18 Cb 0.02 0.20 -0.02 0.00 1.11 0.00 0.00 32.58 33.89 1wx6 s HIS 18 CO 0.24 -0.32 0.75 0.08 -0.85 0.00 0.00 174.74 174.64 1wx6 s VAL 19 N -0.09 4.95 0.17 -0.90 1.01 -1.10 -0.76 120.40 123.67 1wx6 s VAL 19 Ca -0.03 1.45 0.09 0.00 0.00 0.00 0.00 61.98 63.49 1wx6 s VAL 19 Cb -0.03 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1wx6 s VAL 19 CO 0.02 0.08 -0.19 0.68 0.00 0.00 0.00 175.10 175.69 1wx6 s VAL 20 N 1.93 1.86 0.31 2.92 -7.23 -1.06 -0.90 120.40 118.22 1wx6 s VAL 20 Ca 0.35 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.69 1wx6 s VAL 20 Cb -0.16 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 1wx6 s VAL 20 CO 0.12 -0.30 -0.01 -1.58 -0.31 0.00 0.00 175.10 173.02 1wx6 s GLN 21 N -2.79 2.12 -0.32 4.82 0.74 -0.54 -1.23 119.66 122.45 1wx6 s GLN 21 Ca 0.16 -1.64 -0.10 0.00 0.05 0.00 0.00 55.36 53.84 1wx6 s GLN 21 Cb -0.06 -2.00 0.00 0.00 1.10 0.00 0.00 33.01 32.06 1wx6 s GLN 21 CO 0.07 0.22 0.16 0.95 -0.55 0.00 0.00 175.29 176.14 1wx6 s THR 22 N -2.45 4.54 0.04 -0.34 -4.23 0.50 -1.92 115.64 111.77 1wx6 s THR 22 Ca 0.33 -0.54 -0.16 0.00 -1.18 0.00 0.00 61.69 60.13 1wx6 s THR 22 Cb -0.03 -3.37 -0.24 0.00 1.34 0.00 0.00 72.50 70.21 1wx6 s THR 22 CO 0.19 -0.00 1.14 -0.07 -0.54 0.00 0.00 174.62 175.34 1wx6 h LEU 23 N 8.36 0.76 -8.72 4.79 3.38 -1.68 -0.57 115.31 121.63 1wx6 h LEU 23 Ca -0.31 -0.76 -0.66 0.00 0.09 0.00 0.00 57.88 56.24 1wx6 h LEU 23 Cb 1.13 -0.23 -0.25 0.00 0.09 0.00 0.00 40.66 41.40 1wx6 h LEU 23 CO 0.63 1.42 -0.87 -0.31 0.09 0.00 0.00 178.44 179.40 1wx6 s TYR 24 N -3.23 2.18 0.14 1.13 1.51 -1.25 -4.52 117.35 113.32 1wx6 s TYR 24 Ca -0.11 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.24 1wx6 s TYR 24 Cb 0.05 -1.28 -0.08 0.00 -0.11 0.00 0.00 41.96 40.54 1wx6 s TYR 24 CO 0.88 0.15 1.34 -1.25 -1.11 0.00 0.00 175.55 175.56 1wx6 s PRO 25 N -1.37 4.36 -0.09 -1.71 0.04 -1.26 -4.61 135.00 130.36 1wx6 s PRO 25 Ca 0.11 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.17 1wx6 s PRO 25 Cb -0.10 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.24 1wx6 s PRO 25 CO 0.03 -0.35 0.04 0.12 0.04 0.00 0.00 177.00 176.88 1wx6 s PHE 26 N 0.70 0.44 -0.09 0.56 2.19 -1.19 -4.91 117.98 115.68 1wx6 s PHE 26 Ca 0.61 -0.11 0.04 0.00 0.33 0.00 0.00 56.93 57.80 1wx6 s PHE 26 Cb -0.36 -0.70 0.00 0.00 -1.31 0.00 0.00 43.02 40.65 1wx6 s PHE 26 CO 0.33 -0.33 -0.23 -1.12 1.83 0.00 0.00 175.22 175.70 1wx6 s SER 27 N 2.05 2.96 0.47 6.13 0.01 -1.26 -1.96 113.70 122.10 1wx6 s SER 27 Ca 0.04 -0.53 0.07 0.00 1.31 0.00 0.00 55.95 56.84 1wx6 s SER 27 Cb -0.13 -1.30 -0.00 0.00 0.21 0.00 0.00 66.02 64.80 1wx6 s SER 27 CO -0.05 0.16 0.38 -0.94 0.41 0.00 0.00 173.24 173.20 1wx6 s SER 28 N 0.32 4.83 -0.11 2.44 1.04 -1.26 -5.05 113.70 115.91 1wx6 s SER 28 Ca -0.17 -0.96 0.13 0.00 0.48 0.00 0.00 55.95 55.43 1wx6 s SER 28 Cb -0.17 -0.19 -0.18 0.00 0.10 0.00 0.00 66.02 65.57 1wx6 s SER 28 CO 0.08 -0.82 0.11 0.52 0.98 0.00 0.00 173.24 174.11 1wx6 n VAL 29 N -1.61 0.74 -2.91 5.02 0.31 -1.26 -4.97 118.33 113.65 1wx6 n VAL 29 Ca 0.02 -0.53 -0.18 0.00 -0.01 0.00 0.00 64.34 63.63 1wx6 n VAL 29 Cb 0.63 -0.46 0.02 0.00 -0.91 0.00 0.00 33.84 33.12 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 2.83 0.05 2.52 -1.32 -1.26 -5.04 115.64 110.94 1wx6 s THR 30 Ca -0.07 -0.91 -0.13 0.00 -1.21 0.00 0.00 61.69 59.38 1wx6 s THR 30 Cb 0.05 -2.92 -0.30 0.00 -1.51 0.00 0.00 72.50 67.82 1wx6 s THR 30 CO 0.58 0.00 1.09 -0.33 -2.21 0.00 0.00 174.62 173.75 1wx6 h GLU 31 N 0.43 0.55 -0.94 7.08 4.39 -1.97 -3.33 114.58 120.79 1wx6 h GLU 31 Ca -0.40 -0.80 0.17 0.00 0.34 0.00 0.00 59.36 58.67 1wx6 h GLU 31 Cb 1.28 0.28 -0.17 0.00 -0.10 0.00 0.00 28.75 30.04 1wx6 h GLU 31 CO 0.46 1.37 -0.30 0.93 -1.16 0.00 0.00 179.01 180.31 1wx6 h GLU 32 N 0.22 -0.01 -7.05 2.33 5.08 -1.96 -3.40 114.58 109.79 1wx6 h GLU 32 Ca -0.20 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.69 1wx6 h GLU 32 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1wx6 h GLU 32 CO 0.24 -0.01 0.28 -1.21 -1.00 0.00 0.00 179.01 177.32 1wx6 s GLU 33 N -6.13 3.97 0.37 2.33 2.02 -1.25 0.23 118.70 120.24 1wx6 s GLU 33 Ca -0.14 0.85 -0.10 0.00 0.02 0.00 0.00 54.97 55.59 1wx6 s GLU 33 Cb 0.23 -2.23 -0.07 0.00 0.10 0.00 0.00 34.13 32.17 1wx6 s GLU 33 CO 0.75 -0.13 0.73 -0.51 0.02 0.00 0.00 175.26 176.11 1wx6 s LEU 34 N -3.75 3.91 -0.18 1.80 1.43 -1.20 -4.63 118.68 116.06 1wx6 s LEU 34 Ca 0.57 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.77 1wx6 s LEU 34 Cb -0.10 -3.95 0.02 0.00 0.03 0.00 0.00 46.19 42.20 1wx6 s LEU 34 CO 0.27 -0.33 -0.17 0.20 0.23 0.00 0.00 176.35 176.54 1wx6 s ASN 35 N -2.99 3.10 0.33 2.29 0.02 -1.26 -4.11 114.94 112.32 1wx6 s ASN 35 Ca 0.51 -0.66 -0.02 0.00 -1.02 0.00 0.00 52.86 51.66 1wx6 s ASN 35 Cb -0.10 -1.39 0.01 0.00 0.02 0.00 0.00 41.25 39.79 1wx6 s ASN 35 CO 0.29 -0.04 0.47 2.22 0.02 0.00 0.00 177.10 180.06 1wx6 n PHE 36 N 4.65 -1.44 -4.42 2.20 -1.74 -0.83 -4.94 117.46 110.95 1wx6 n PHE 36 Ca -0.19 -2.17 -0.19 0.00 -0.56 0.00 0.00 57.45 54.34 1wx6 n PHE 36 Cb 0.49 0.54 -0.05 0.00 1.52 0.00 0.00 39.48 41.98 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 -0.54 0.93 -2.28 3.97 0.28 -1.26 -3.14 120.64 118.60 1wx6 n GLU 37 Ca 0.00 -2.41 -0.42 0.00 -0.16 0.00 0.00 57.16 54.17 1wx6 n GLU 37 Cb 0.55 0.97 -0.03 0.00 1.43 0.00 0.00 31.44 34.36 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 -3.14 4.29 0.00 3.44 2.20 -1.26 -3.41 119.74 121.86 1wx6 s LYS 38 Ca 0.07 1.89 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 1wx6 s LYS 38 Cb 0.00 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1wx6 s LYS 38 CO 0.05 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 1wx6 n GLY 39 N 3.61 0.78 3.44 5.54 0.00 -0.22 -4.96 105.19 113.39 1wx6 n GLY 39 Ca 0.13 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.64 2.65 0.18 1.61 2.56 -1.22 -4.90 118.70 115.95 1wx6 s GLU 40 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 54.97 54.27 1wx6 s GLU 40 Cb 0.00 -2.40 -0.04 0.00 2.00 0.00 0.00 34.13 33.69 1wx6 s GLU 40 CO 0.00 0.54 0.34 0.99 -0.56 0.00 0.00 175.26 176.57 1wx6 s THR 41 N -0.51 5.26 0.21 -1.70 2.01 -1.26 -0.37 115.64 119.28 1wx6 s THR 41 Ca 0.07 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1wx6 s THR 41 Cb -0.12 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.67 1wx6 s THR 41 CO 0.02 -0.14 0.37 0.23 -0.69 0.00 0.00 174.62 174.41 1wx6 n MET 42 N -0.63 0.54 -3.73 4.92 2.81 -0.37 -4.76 117.12 115.90 1wx6 n MET 42 Ca -0.06 -1.38 -0.16 0.00 -1.81 0.00 0.00 57.70 54.29 1wx6 n MET 42 Cb 0.54 1.54 -0.16 0.00 -0.71 0.00 0.00 33.22 34.43 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 -2.21 -0.03 -0.34 0.03 8.01 -1.26 -2.58 118.70 120.32 1wx6 s GLU 43 Ca 0.12 0.30 -0.28 0.00 0.01 0.00 0.00 54.97 55.12 1wx6 s GLU 43 Cb -0.02 -0.31 -0.01 0.00 -4.31 0.00 0.00 34.13 29.47 1wx6 s GLU 43 CO 0.09 -0.23 1.74 0.08 0.01 0.00 0.00 175.26 176.96 1wx6 s VAL 44 N 1.50 3.53 -0.07 2.63 1.01 0.06 -3.30 120.40 125.76 1wx6 s VAL 44 Ca -0.04 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1wx6 s VAL 44 Cb -0.12 -3.73 -0.26 0.00 0.00 0.00 0.00 36.38 32.27 1wx6 s VAL 44 CO -0.04 -0.47 0.57 0.16 0.00 0.00 0.00 175.10 175.32 1wx6 h ILE 45 N 6.76 0.82 -2.08 2.22 3.07 -1.46 0.40 117.51 127.24 1wx6 h ILE 45 Ca -0.33 -2.54 -0.06 0.00 1.55 0.00 0.00 64.86 63.48 1wx6 h ILE 45 Cb 1.16 2.56 -0.20 0.00 -0.27 0.00 0.00 36.82 40.07 1wx6 h ILE 45 CO 1.04 0.78 0.14 -0.70 -1.05 0.00 0.00 178.15 178.35 1wx6 s GLU 46 N -2.58 0.96 -0.23 0.16 2.12 -1.12 -4.45 118.70 113.56 1wx6 s GLU 46 Ca -0.14 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.64 1wx6 s GLU 46 Cb 0.07 0.46 0.04 0.00 0.26 0.00 0.00 34.13 34.95 1wx6 s GLU 46 CO 0.81 -0.25 -0.12 0.15 -0.54 0.00 0.00 175.26 175.30 1wx6 s LYS 47 N -0.74 2.69 -0.63 4.30 1.02 -1.26 -1.04 119.74 124.08 1wx6 s LYS 47 Ca -0.08 -1.05 -0.26 0.00 0.02 0.00 0.00 55.97 54.60 1wx6 s LYS 47 Cb -0.02 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1wx6 s LYS 47 CO 0.07 -0.39 1.87 -1.25 -0.92 0.00 0.00 175.35 174.73 1wx6 s PRO 48 N 1.24 2.61 0.15 -1.68 0.04 -1.26 -4.88 135.00 131.22 1wx6 s PRO 48 Ca -0.01 0.55 -0.31 0.00 0.04 0.00 0.00 61.00 61.27 1wx6 s PRO 48 Cb -0.17 -4.44 -0.06 0.00 0.04 0.00 0.00 34.50 29.87 1wx6 s PRO 48 CO -0.07 -2.79 1.55 0.93 0.04 0.00 0.00 177.00 176.66 1wx6 h GLU 49 N 14.73 -0.22 -0.87 4.56 4.39 -1.97 0.18 114.58 135.39 1wx6 h GLU 49 Ca -0.23 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.71 1wx6 h GLU 49 Cb 1.15 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.71 1wx6 h GLU 49 CO 1.22 -0.14 0.23 -0.91 -1.16 0.00 0.00 179.01 178.24 1wx6 h ASN 50 N -0.22 -0.01 -3.55 1.42 2.35 -1.99 -2.99 115.58 110.59 1wx6 h ASN 50 Ca 0.13 0.19 -0.72 0.00 -0.55 0.00 0.00 56.30 55.35 1wx6 h ASN 50 Cb 0.53 0.26 -0.34 0.00 0.05 0.00 0.00 38.32 38.83 1wx6 h ASN 50 CO -0.74 -0.15 -0.05 -1.81 -1.65 0.00 0.00 177.43 173.03 1wx6 s ASP 51 N -5.10 6.11 0.26 5.81 1.11 0.64 -4.88 116.67 120.61 1wx6 s ASP 51 Ca -0.12 -3.49 0.03 0.00 0.18 0.00 0.00 52.55 49.15 1wx6 s ASP 51 Cb 0.25 -1.96 0.33 0.00 1.07 0.00 0.00 42.92 42.61 1wx6 s ASP 51 CO 0.77 -0.26 1.63 1.55 1.18 0.00 0.00 175.17 180.04 1wx6 h PRO 52 N 6.40 0.35 0.00 8.23 0.13 -1.42 -2.73 132.00 142.95 1wx6 h PRO 52 Ca 0.13 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1wx6 h PRO 52 Cb 0.86 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1wx6 h PRO 52 CO 0.84 0.74 0.00 0.39 -0.23 0.00 0.00 178.00 179.74 1wx6 n GLU 53 N -3.99 0.13 -4.83 0.86 1.02 -1.26 -4.64 120.64 107.93 1wx6 n GLU 53 Ca -0.02 0.45 -0.30 0.00 -0.02 0.00 0.00 57.16 57.28 1wx6 n GLU 53 Cb 0.52 -1.80 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 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 -3.29 2.27 0.08 -0.32 0.52 -1.03 -2.63 118.94 114.53 1wx6 s TRP 54 Ca 0.03 -0.41 0.07 0.00 0.02 0.00 0.00 56.10 55.81 1wx6 s TRP 54 Cb 0.08 -1.34 -0.03 0.00 -1.15 0.00 0.00 33.47 31.02 1wx6 s TRP 54 CO 0.29 0.14 -0.17 -1.58 0.02 0.00 0.00 176.95 175.65 1wx6 s TRP 55 N -0.83 1.50 -0.36 -1.98 0.51 0.86 -4.33 118.94 114.29 1wx6 s TRP 55 Ca 0.11 -0.43 -0.17 0.00 -2.12 0.00 0.00 56.10 53.50 1wx6 s TRP 55 Cb -0.10 -0.84 -0.00 0.00 -0.81 0.00 0.00 33.47 31.72 1wx6 s TRP 55 CO 0.02 0.12 0.44 0.21 -0.51 0.00 0.00 176.95 177.23 1wx6 s LYS 56 N -1.73 3.48 0.30 4.98 2.20 -0.21 -0.37 119.74 128.40 1wx6 s LYS 56 Ca 0.02 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.27 1wx6 s LYS 56 Cb -0.10 -3.84 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1wx6 s LYS 56 CO 0.03 -0.65 0.10 0.00 -0.36 0.00 0.00 175.35 174.47 1wx6 s LYS 58 N -3.93 2.49 0.64 0.00 2.20 -1.21 -2.82 119.74 117.12 1wx6 s LYS 58 Ca 0.36 -0.75 -0.03 0.00 -0.36 0.00 0.00 55.97 55.19 1wx6 s LYS 58 Cb 0.07 -1.98 0.13 0.00 -1.51 0.00 0.00 37.83 34.54 1wx6 s LYS 58 CO 0.15 0.20 0.88 0.27 -0.36 0.00 0.00 175.35 176.48 1wx6 n ASN 59 N 3.41 0.88 0.09 1.43 0.23 -0.82 -4.05 115.26 116.43 1wx6 n ASN 59 Ca -0.19 -1.81 0.09 0.00 -0.53 0.00 0.00 54.58 52.14 1wx6 n ASN 59 Cb 0.53 -0.60 0.56 0.00 -2.08 0.00 0.00 39.78 38.19 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 -0.86 1.98 0.00 -2.53 0.00 -1.91 0.13 119.26 116.07 1wx6 h ALA 60 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wx6 h ALA 60 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wx6 h ALA 60 CO 0.28 -0.04 0.00 0.54 0.00 0.00 0.00 179.25 180.04 1wx6 n ARG 61 N -4.49 0.59 -1.36 0.00 5.12 -1.26 -4.82 116.66 110.43 1wx6 n ARG 61 Ca 0.03 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.84 1wx6 n ARG 61 Cb 0.20 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 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 0.18 1.15 3.89 -0.13 0.00 0.44 -5.00 105.19 105.72 1wx6 n GLY 62 Ca 0.14 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.01 3.45 0.05 1.61 -0.21 -1.26 -4.86 119.66 115.43 1wx6 s GLN 63 Ca 0.00 -0.22 0.04 0.00 0.02 0.00 0.00 55.36 55.20 1wx6 s GLN 63 Cb 0.00 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 1wx6 s GLN 63 CO 0.00 0.72 -0.03 0.14 -2.12 0.00 0.00 175.29 174.00 1wx6 s VAL 64 N -1.18 3.86 0.07 1.09 -7.23 -1.26 -1.94 120.40 113.81 1wx6 s VAL 64 Ca 0.21 -0.88 -0.07 0.00 -1.81 0.00 0.00 61.98 59.43 1wx6 s VAL 64 Cb -0.12 -2.77 0.03 0.00 0.56 0.00 0.00 36.38 34.07 1wx6 s VAL 64 CO 0.12 0.25 0.35 0.61 -0.31 0.00 0.00 175.10 176.11 1wx6 n GLY 65 N 1.03 1.10 3.54 2.32 0.00 -1.13 -4.83 105.19 107.23 1wx6 n GLY 65 Ca -0.13 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 4.43 -0.07 0.99 1.43 0.14 -3.14 118.68 122.46 1wx6 s LEU 66 Ca 0.08 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1wx6 s LEU 66 Cb -0.01 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 1wx6 s LEU 66 CO 0.02 -0.50 -0.16 0.54 0.23 0.00 0.00 176.35 176.47 1wx6 s VAL 67 N 2.37 2.84 -0.05 -1.59 0.11 0.50 -3.23 120.40 121.36 1wx6 s VAL 67 Ca 0.18 -0.79 -0.30 0.00 -2.93 0.00 0.00 61.98 58.14 1wx6 s VAL 67 Cb -0.16 -2.11 -0.05 0.00 -1.53 0.00 0.00 36.38 32.53 1wx6 s VAL 67 CO 0.14 0.57 1.49 -2.16 -3.33 0.00 0.00 175.10 171.80 1wx6 s PRO 68 N -0.36 4.23 0.44 1.54 0.04 -1.26 -0.10 135.00 139.52 1wx6 s PRO 68 Ca 0.03 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.25 1wx6 s PRO 68 Cb -0.12 -3.77 0.98 0.00 0.04 0.00 0.00 34.50 31.63 1wx6 s PRO 68 CO 0.02 -0.71 1.96 1.57 0.04 0.00 0.00 177.00 179.88 1wx6 h LYS 69 N 8.58 0.00 0.00 4.56 2.10 -1.84 -1.68 116.57 128.29 1wx6 h LYS 69 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1wx6 h LYS 69 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1wx6 h LYS 69 CO 0.94 0.22 0.00 0.09 -2.00 0.00 0.00 179.45 178.70 1wx6 n ASN 70 N -4.18 0.57 -0.02 7.07 4.13 -1.26 -1.43 115.26 120.13 1wx6 n ASN 70 Ca -0.02 0.72 0.07 0.00 1.68 0.00 0.00 54.58 57.02 1wx6 n ASN 70 Cb 0.29 -0.81 -0.15 0.00 -1.54 0.00 0.00 39.78 37.56 1wx6 n ASN 70 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1wx6 n TYR 71 N -2.21 0.00 -3.85 3.10 4.02 -0.64 -5.00 117.16 112.58 1wx6 n TYR 71 Ca -0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 1wx6 n TYR 71 Cb 0.10 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 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 -2.29 0.00 -3.67 -0.72 0.24 -0.52 -1.76 118.33 109.62 1wx6 n VAL 72 Ca -0.08 -2.07 -0.14 0.00 -2.04 0.00 0.00 64.34 60.00 1wx6 n VAL 72 Cb 0.63 -0.06 -0.08 0.00 -1.47 0.00 0.00 33.84 32.86 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 -2.60 0.00 -0.23 3.34 -7.23 -0.81 -4.88 120.40 108.00 1wx6 s VAL 73 Ca 0.30 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.16 1wx6 s VAL 73 Cb -0.02 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 36.12 1wx6 s VAL 73 CO 0.19 -0.01 1.06 -0.69 -0.31 0.00 0.00 175.10 175.34 1wx6 s VAL 74 N 0.09 4.64 -0.11 1.32 1.01 -1.26 -1.46 120.40 124.63 1wx6 s VAL 74 Ca -0.02 1.98 -0.09 0.00 0.00 0.00 0.00 61.98 63.86 1wx6 s VAL 74 Cb -0.04 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1wx6 s VAL 74 CO 0.02 -0.19 -0.18 0.18 0.00 0.00 0.00 175.10 174.93 1wx6 n LEU 75 N 6.36 1.28 -4.63 3.92 4.77 -0.07 -4.99 117.00 123.64 1wx6 n LEU 75 Ca 0.12 0.37 -0.25 0.00 -0.03 0.00 0.00 56.01 56.22 1wx6 n LEU 75 Cb 0.46 -0.71 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 1wx6 n LEU 75 CO 0.52 -0.41 -0.30 -0.44 -1.33 0.00 0.00 177.39 175.43 1wx6 s SER 76 N -5.17 4.15 -0.53 -1.43 0.01 -1.20 -5.03 113.70 104.51 1wx6 s SER 76 Ca -0.15 -1.02 -0.05 0.00 1.31 0.00 0.00 55.95 56.04 1wx6 s SER 76 Cb 0.02 -0.51 0.14 0.00 0.21 0.00 0.00 66.02 65.88 1wx6 s SER 76 CO 0.22 -0.26 0.36 -1.81 0.41 0.00 0.00 173.24 172.17 1wx6 s ASP 77 N -3.72 5.47 0.00 2.44 1.01 -1.26 -2.70 116.67 117.91 1wx6 s ASP 77 Ca 0.35 -2.34 0.00 0.00 0.71 0.00 0.00 52.55 51.27 1wx6 s ASP 77 Cb 0.01 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 42.02 1wx6 s ASP 77 CO 0.19 -0.52 0.00 0.61 0.21 0.00 0.00 175.17 175.66 1wx6 n GLY 78 N 4.24 2.20 0.00 0.21 0.00 -0.95 -4.69 105.19 106.20 1wx6 n GLY 78 Ca 0.01 -2.06 0.06 0.00 0.00 0.00 0.00 46.02 44.03 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 0.25 0.49 -1.51 1.61 -0.04 -1.26 -4.42 135.00 130.12 1wx6 n PRO 79 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 1wx6 n PRO 79 Cb 0.00 -1.40 -0.20 0.00 -0.04 0.00 0.00 33.50 31.86 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 -0.90 0.96 0.00 0.55 0.00 -1.26 -4.40 120.51 115.45 1wx6 n ALA 80 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1wx6 n ALA 80 Cb 0.04 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.01 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 7.55 1.13 -4.63 0.00 4.32 -1.26 -5.03 117.00 119.07 1wx6 n LEU 81 Ca 0.65 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 56.34 1wx6 n LEU 81 Cb 0.16 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.87 1wx6 n LEU 81 CO 1.02 0.19 -0.37 -1.38 -1.22 0.00 0.00 177.39 175.62 1wx6 s HIS 82 N -1.49 2.88 0.09 -1.77 -3.43 -1.26 -5.09 115.29 105.23 1wx6 s HIS 82 Ca 0.00 -0.07 -0.31 0.00 -0.80 0.00 0.00 55.06 53.88 1wx6 s HIS 82 Cb 0.00 -1.51 -0.07 0.00 -1.43 0.00 0.00 32.58 29.56 1wx6 s HIS 82 CO 0.00 0.44 1.37 -1.25 -2.00 0.00 0.00 174.74 173.31 1wx6 s PRO 83 N -2.11 4.33 -0.37 -0.38 0.04 -1.26 -4.86 135.00 130.38 1wx6 s PRO 83 Ca 0.23 2.03 -0.34 0.00 0.04 0.00 0.00 61.00 62.96 1wx6 s PRO 83 Cb -0.11 -3.30 -0.14 0.00 0.04 0.00 0.00 34.50 30.98 1wx6 s PRO 83 CO 0.15 -0.44 1.26 0.00 0.04 0.00 0.00 177.00 178.01 1wx6 n ALA 84 N 4.14 -0.74 -2.16 8.56 0.00 -1.26 -4.80 120.51 124.25 1wx6 n ALA 84 Ca 0.11 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1wx6 n ALA 84 Cb 0.43 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1wx6 n ALA 84 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wx6 s HIS 85 N 2.69 3.25 -0.24 0.00 2.46 -1.26 -4.91 115.29 117.28 1wx6 s HIS 85 Ca 0.79 1.01 -0.28 0.00 0.47 0.00 0.00 55.06 57.05 1wx6 s HIS 85 Cb -1.10 -3.66 -0.05 0.00 -0.13 0.00 0.00 32.58 27.64 1wx6 s HIS 85 CO 0.58 -2.26 2.22 -1.12 -2.47 0.00 0.00 174.74 171.69 1wx6 s SER 86 N 1.00 5.38 0.00 9.88 0.01 -1.26 -4.89 113.70 123.81 1wx6 s SER 86 Ca 0.63 1.81 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1wx6 s SER 86 Cb -0.36 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.36 1wx6 s SER 86 CO 0.31 -2.03 0.00 0.61 0.41 0.00 0.00 173.24 172.54 1wx6 n GLY 87 N 5.78 5.12 0.00 3.44 0.00 -1.26 -5.00 105.19 113.27 1wx6 n GLY 87 Ca 0.30 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 45.07 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 0.48 -3.25 1.61 -0.04 -1.26 -4.86 135.00 127.68 1wx6 n PRO 88 Ca 0.00 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.32 1wx6 n PRO 88 Cb 0.00 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.04 1wx6 n PRO 88 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wx6 n SER 89 N -1.01 -2.58 -3.84 3.54 7.64 -1.26 -5.03 113.62 111.08 1wx6 n SER 89 Ca 0.12 -0.57 -0.12 0.00 1.01 0.00 0.00 58.87 59.31 1wx6 n SER 89 Cb 0.06 -4.66 -0.13 0.00 -1.01 0.00 0.00 64.21 58.47 1wx6 n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wx6 s SER 90 N -4.10 -0.09 0.00 6.43 0.15 -1.26 -5.29 113.70 109.54 1wx6 s SER 90 Ca 0.05 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1wx6 s SER 90 Cb -0.01 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1wx6 s SER 90 CO 0.66 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.66