#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 -4.59 -4.24 1.61 2.88 -1.26 -4.99 113.62 103.04 1wx6 n SER 2 Ca 0.00 -0.42 -0.39 0.00 -1.33 0.00 0.00 58.87 56.73 1wx6 n SER 2 Cb 0.00 -3.93 -0.11 0.00 -0.75 0.00 0.00 64.21 59.42 1wx6 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wx6 s SER 3 N -3.42 5.46 0.00 -3.46 0.15 -1.26 -5.01 113.70 106.17 1wx6 s SER 3 Ca 0.34 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.48 1wx6 s SER 3 Cb -0.15 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1wx6 s SER 3 CO 0.55 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1wx6 n GLY 4 N 4.82 2.67 3.85 9.45 0.00 -1.26 -5.16 105.19 119.56 1wx6 n GLY 4 Ca -0.09 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 6.71 -0.07 1.61 0.15 -1.26 -5.02 113.70 115.81 1wx6 s SER 5 Ca 0.00 1.28 -0.10 0.00 0.70 0.00 0.00 55.95 57.83 1wx6 s SER 5 Cb 0.00 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 1wx6 s SER 5 CO 0.00 -0.28 -0.20 -0.24 1.20 0.00 0.00 173.24 173.72 1wx6 n SER 6 N -0.68 1.52 0.00 5.45 2.88 -1.26 -5.08 113.62 116.45 1wx6 n SER 6 Ca 0.04 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1wx6 n SER 6 Cb 0.53 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 2.29 -0.18 3.48 0.46 0.00 -1.26 -5.08 105.19 104.90 1wx6 n GLY 7 Ca -0.11 0.74 -0.44 0.00 0.00 0.00 0.00 46.02 46.21 1wx6 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wx6 s LEU 8 N 0.00 4.89 -0.16 0.99 2.01 -1.26 -4.91 118.68 120.24 1wx6 s LEU 8 Ca 0.00 -2.75 -0.04 0.00 0.01 0.00 0.00 54.13 51.35 1wx6 s LEU 8 Cb 0.00 -2.42 0.07 0.00 0.01 0.00 0.00 46.19 43.85 1wx6 s LEU 8 CO 0.00 -0.86 0.15 -0.44 1.01 0.00 0.00 176.35 176.21 1wx6 s SER 9 N 3.15 1.68 0.26 2.29 0.01 -1.26 -5.15 113.70 114.69 1wx6 s SER 9 Ca 0.42 -0.29 0.09 0.00 1.31 0.00 0.00 55.95 57.49 1wx6 s SER 9 Cb -0.02 0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1wx6 s SER 9 CO -0.01 -0.32 -0.00 0.54 0.41 0.00 0.00 173.24 173.86 1wx6 s ASN 10 N 2.23 4.56 0.00 2.44 2.20 -1.26 -5.07 114.94 120.05 1wx6 s ASN 10 Ca 0.04 -0.63 0.00 0.00 -0.94 0.00 0.00 52.86 51.33 1wx6 s ASN 10 Cb -0.15 -0.86 0.00 0.00 -2.00 0.00 0.00 41.25 38.24 1wx6 s ASN 10 CO -0.09 0.01 0.00 0.61 -2.94 0.00 0.00 177.10 174.68 1wx6 n GLY 11 N -0.86 0.99 1.22 0.45 0.00 -1.26 -5.12 105.19 100.61 1wx6 n GLY 11 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 1.61 7.27 -1.26 -5.09 117.38 119.91 1wx6 n GLN 12 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1wx6 n GLN 12 Cb 0.00 -0.41 0.00 0.00 2.41 0.00 0.00 30.24 32.24 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 3.05 -0.31 3.37 1.69 0.00 -1.26 -5.07 105.19 106.66 1wx6 n GLY 13 Ca 0.00 0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 6.80 0.98 1.61 1.04 -1.26 -5.04 113.70 117.82 1wx6 s SER 14 Ca 0.00 -2.63 -0.12 0.00 0.48 0.00 0.00 55.95 53.68 1wx6 s SER 14 Cb 0.00 -2.27 0.18 0.00 0.10 0.00 0.00 66.02 64.02 1wx6 s SER 14 CO 0.00 -0.68 1.08 -0.13 0.98 0.00 0.00 173.24 174.49 1wx6 s ARG 15 N 0.77 0.61 -0.27 4.02 0.52 -1.26 -4.84 118.95 118.49 1wx6 s ARG 15 Ca 0.25 0.82 -0.29 0.00 -0.52 0.00 0.00 55.73 55.98 1wx6 s ARG 15 Cb -0.08 -1.73 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 1wx6 s ARG 15 CO -0.09 -2.69 1.64 0.08 0.02 0.00 0.00 175.30 174.26 1wx6 s VAL 16 N -2.82 3.67 -0.06 3.52 1.01 -1.26 -4.55 120.40 119.90 1wx6 s VAL 16 Ca 0.65 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 63.35 1wx6 s VAL 16 Cb -0.20 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1wx6 s VAL 16 CO 0.59 -0.37 0.03 -0.07 0.00 0.00 0.00 175.10 175.27 1wx6 h LEU 17 N 12.23 -0.02 -7.24 3.92 3.38 -1.31 -3.39 115.31 122.88 1wx6 h LEU 17 Ca -0.33 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 1wx6 h LEU 17 Cb 1.15 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.69 1wx6 h LEU 17 CO 1.02 0.32 -0.11 -1.00 0.09 0.00 0.00 178.44 178.76 1wx6 s HIS 18 N -1.45 -0.50 -0.17 1.13 3.76 -1.25 -2.68 115.29 114.14 1wx6 s HIS 18 Ca -0.00 1.12 -0.22 0.00 -0.15 0.00 0.00 55.06 55.81 1wx6 s HIS 18 Cb 0.00 0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.87 1wx6 s HIS 18 CO 0.01 -0.34 0.66 0.08 -0.85 0.00 0.00 174.74 174.30 1wx6 s VAL 19 N -0.23 5.02 0.29 -0.90 1.01 -1.23 -0.98 120.40 123.38 1wx6 s VAL 19 Ca -0.04 1.28 0.11 0.00 0.00 0.00 0.00 61.98 63.33 1wx6 s VAL 19 Cb -0.03 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1wx6 s VAL 19 CO 0.03 0.14 -0.15 0.68 0.00 0.00 0.00 175.10 175.80 1wx6 s VAL 20 N 1.67 2.62 0.10 2.92 -7.23 -1.03 -0.55 120.40 118.89 1wx6 s VAL 20 Ca 0.31 -2.28 0.09 0.00 -1.81 0.00 0.00 61.98 58.29 1wx6 s VAL 20 Cb -0.16 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1wx6 s VAL 20 CO 0.12 -0.36 -0.24 -1.58 -0.31 0.00 0.00 175.10 172.73 1wx6 s GLN 21 N -3.56 1.34 -0.31 4.82 0.74 0.39 -2.02 119.66 121.05 1wx6 s GLN 21 Ca 0.31 -1.19 -0.19 0.00 0.05 0.00 0.00 55.36 54.33 1wx6 s GLN 21 Cb -0.04 -1.66 -0.01 0.00 1.10 0.00 0.00 33.01 32.40 1wx6 s GLN 21 CO 0.16 0.40 0.57 0.95 -0.55 0.00 0.00 175.29 176.82 1wx6 s THR 22 N -1.03 4.98 -0.02 -0.34 -4.23 0.50 -1.38 115.64 114.12 1wx6 s THR 22 Ca 0.10 0.68 -0.20 0.00 -1.18 0.00 0.00 61.69 61.09 1wx6 s THR 22 Cb -0.10 -3.96 -0.32 0.00 1.34 0.00 0.00 72.50 69.46 1wx6 s THR 22 CO 0.04 -0.13 0.94 -0.07 -0.54 0.00 0.00 174.62 174.86 1wx6 h LEU 23 N 9.08 0.60 -9.04 4.79 3.38 -1.71 0.95 115.31 123.36 1wx6 h LEU 23 Ca -0.28 -0.93 -0.68 0.00 0.09 0.00 0.00 57.88 56.08 1wx6 h LEU 23 Cb 1.12 -0.19 -0.20 0.00 0.09 0.00 0.00 40.66 41.48 1wx6 h LEU 23 CO 0.78 1.49 -0.80 -0.31 0.09 0.00 0.00 178.44 179.68 1wx6 s TYR 24 N -2.53 2.54 -0.10 1.13 1.51 -1.25 -4.45 117.35 114.20 1wx6 s TYR 24 Ca -0.12 -0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 55.38 1wx6 s TYR 24 Cb 0.02 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1wx6 s TYR 24 CO 0.87 0.33 1.53 -1.25 -1.11 0.00 0.00 175.55 175.92 1wx6 s PRO 25 N -1.88 4.17 -0.14 -1.71 0.04 -1.26 -4.49 135.00 129.72 1wx6 s PRO 25 Ca 0.17 1.99 -0.02 0.00 0.04 0.00 0.00 61.00 63.18 1wx6 s PRO 25 Cb -0.11 -3.92 0.04 0.00 0.04 0.00 0.00 34.50 30.56 1wx6 s PRO 25 CO 0.08 -0.84 -0.01 0.12 0.04 0.00 0.00 177.00 176.40 1wx6 s PHE 26 N 3.96 1.15 -0.15 0.56 2.19 -1.21 -4.88 117.98 119.60 1wx6 s PHE 26 Ca 0.68 -0.71 0.01 0.00 0.33 0.00 0.00 56.93 57.24 1wx6 s PHE 26 Cb -0.29 -1.06 0.02 0.00 -1.31 0.00 0.00 43.02 40.38 1wx6 s PHE 26 CO 0.25 -0.52 -0.19 -1.54 1.83 0.00 0.00 175.22 175.05 1wx6 s SER 27 N 1.82 2.93 0.59 6.13 1.04 -1.25 -0.51 113.70 124.45 1wx6 s SER 27 Ca 0.02 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.89 1wx6 s SER 27 Cb -0.15 -1.35 0.06 0.00 0.10 0.00 0.00 66.02 64.68 1wx6 s SER 27 CO -0.07 0.02 0.82 -0.44 0.98 0.00 0.00 173.24 174.54 1wx6 s SER 28 N 1.13 5.06 -0.08 7.02 0.01 -1.24 -4.98 113.70 120.62 1wx6 s SER 28 Ca -0.01 -0.17 0.08 0.00 1.31 0.00 0.00 55.95 57.16 1wx6 s SER 28 Cb -0.14 -0.58 -0.11 0.00 0.21 0.00 0.00 66.02 65.40 1wx6 s SER 28 CO -0.07 -1.31 0.04 0.52 0.41 0.00 0.00 173.24 172.83 1wx6 n VAL 29 N -2.43 0.58 -2.88 3.43 0.31 -1.26 -4.81 118.33 111.27 1wx6 n VAL 29 Ca 0.10 -0.37 -0.19 0.00 -0.01 0.00 0.00 64.34 63.87 1wx6 n VAL 29 Cb 0.60 -0.70 0.03 0.00 -0.91 0.00 0.00 33.84 32.86 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 -2.25 2.72 0.06 2.52 -1.32 -1.26 -5.04 115.64 111.08 1wx6 s THR 30 Ca -0.04 -0.88 -0.13 0.00 -1.21 0.00 0.00 61.69 59.42 1wx6 s THR 30 Cb 0.03 -2.84 -0.29 0.00 -1.51 0.00 0.00 72.50 67.89 1wx6 s THR 30 CO 0.37 0.00 1.12 -0.33 -2.21 0.00 0.00 174.62 173.57 1wx6 h GLU 31 N 0.34 0.57 -0.93 7.08 3.07 -1.96 -3.33 114.58 119.43 1wx6 h GLU 31 Ca -0.39 -0.78 0.16 0.00 -0.50 0.00 0.00 59.36 57.85 1wx6 h GLU 31 Cb 1.28 0.26 -0.16 0.00 -0.84 0.00 0.00 28.75 29.29 1wx6 h GLU 31 CO 0.46 1.35 -0.32 0.93 -1.40 0.00 0.00 179.01 180.03 1wx6 h GLU 32 N 0.25 -0.02 -7.22 2.33 4.39 -1.96 -3.41 114.58 108.94 1wx6 h GLU 32 Ca -0.18 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.07 1wx6 h GLU 32 Cb 1.91 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 30.65 1wx6 h GLU 32 CO 0.23 -0.01 0.18 -1.21 -1.16 0.00 0.00 179.01 177.04 1wx6 s GLU 33 N -6.07 2.12 0.02 2.33 2.02 -1.25 0.18 118.70 118.05 1wx6 s GLU 33 Ca -0.14 -0.45 0.02 0.00 0.02 0.00 0.00 54.97 54.42 1wx6 s GLU 33 Cb 0.22 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1wx6 s GLU 33 CO 0.73 -1.23 0.02 -0.51 0.02 0.00 0.00 175.26 174.30 1wx6 s LEU 34 N -5.18 3.58 -0.20 1.80 1.43 -1.19 -4.50 118.68 114.42 1wx6 s LEU 34 Ca 0.61 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1wx6 s LEU 34 Cb -0.10 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1wx6 s LEU 34 CO 0.44 0.26 -0.14 0.54 0.23 0.00 0.00 176.35 177.67 1wx6 s ASN 35 N -1.76 3.58 0.18 2.29 2.20 -1.26 -3.64 114.94 116.53 1wx6 s ASN 35 Ca 0.22 -0.59 0.02 0.00 -0.94 0.00 0.00 52.86 51.56 1wx6 s ASN 35 Cb -0.12 -1.57 -0.01 0.00 -2.00 0.00 0.00 41.25 37.55 1wx6 s ASN 35 CO 0.13 -0.02 0.19 2.22 -2.94 0.00 0.00 177.10 176.69 1wx6 n PHE 36 N 4.68 -0.65 -4.53 1.54 -1.74 0.34 -4.90 117.46 112.18 1wx6 n PHE 36 Ca -0.20 -1.35 -0.25 0.00 -0.56 0.00 0.00 57.45 55.10 1wx6 n PHE 36 Cb 0.50 0.21 -0.10 0.00 1.52 0.00 0.00 39.48 41.61 1wx6 n PHE 36 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1wx6 s GLU 37 N -2.57 1.81 0.20 3.97 2.02 -1.26 -3.33 118.70 119.54 1wx6 s GLU 37 Ca 0.18 -2.03 -0.32 0.00 0.02 0.00 0.00 54.97 52.83 1wx6 s GLU 37 Cb 0.00 -1.19 -0.12 0.00 0.10 0.00 0.00 34.13 32.93 1wx6 s GLU 37 CO 0.13 -0.16 1.71 0.21 0.02 0.00 0.00 175.26 177.17 1wx6 s LYS 38 N -3.81 4.14 -0.20 1.61 2.20 -1.26 -2.83 119.74 119.58 1wx6 s LYS 38 Ca 0.34 2.58 -0.01 0.00 -0.36 0.00 0.00 55.97 58.52 1wx6 s LYS 38 Cb 0.09 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1wx6 s LYS 38 CO 0.16 -0.74 0.17 0.41 -0.36 0.00 0.00 175.35 174.99 1wx6 n GLY 39 N 3.96 0.58 3.71 5.54 0.00 0.33 -4.95 105.19 114.36 1wx6 n GLY 39 Ca 0.16 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.84 2.71 0.02 1.61 0.41 -1.13 -4.87 118.70 112.60 1wx6 s GLU 40 Ca 0.06 -0.73 0.02 0.00 -0.41 0.00 0.00 54.97 53.91 1wx6 s GLU 40 Cb -0.03 -2.63 -0.04 0.00 -1.78 0.00 0.00 34.13 29.66 1wx6 s GLU 40 CO 0.11 0.57 -0.00 0.99 -0.49 0.00 0.00 175.26 176.44 1wx6 s THR 41 N -1.27 4.09 0.27 3.63 2.01 -1.26 -0.37 115.64 122.74 1wx6 s THR 41 Ca 0.25 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 1wx6 s THR 41 Cb -0.12 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.57 1wx6 s THR 41 CO 0.17 0.33 0.44 0.23 -0.69 0.00 0.00 174.62 175.10 1wx6 n MET 42 N 1.26 0.63 -3.98 4.92 2.81 -0.86 -4.71 117.12 117.21 1wx6 n MET 42 Ca -0.14 -1.90 -0.15 0.00 -1.81 0.00 0.00 57.70 53.70 1wx6 n MET 42 Cb 0.52 2.00 -0.15 0.00 -0.71 0.00 0.00 33.22 34.88 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 -2.39 0.26 -0.49 0.03 2.02 -1.26 -2.48 118.70 114.39 1wx6 s GLU 43 Ca 0.18 -0.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.87 1wx6 s GLU 43 Cb -0.02 -0.35 0.02 0.00 0.10 0.00 0.00 34.13 33.89 1wx6 s GLU 43 CO 0.13 -0.04 1.26 0.08 0.02 0.00 0.00 175.26 176.71 1wx6 s VAL 44 N 0.47 4.03 -0.05 2.63 1.01 -0.15 -2.80 120.40 125.54 1wx6 s VAL 44 Ca -0.05 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.91 1wx6 s VAL 44 Cb -0.07 -4.50 -0.27 0.00 0.00 0.00 0.00 36.38 31.53 1wx6 s VAL 44 CO -0.01 -1.03 0.65 0.16 0.00 0.00 0.00 175.10 174.88 1wx6 h ILE 45 N 6.31 0.91 -2.56 2.22 3.07 -1.28 -0.07 117.51 126.11 1wx6 h ILE 45 Ca -0.25 -2.59 -0.07 0.00 1.55 0.00 0.00 64.86 63.50 1wx6 h ILE 45 Cb 1.08 2.64 -0.17 0.00 -0.27 0.00 0.00 36.82 40.10 1wx6 h ILE 45 CO 1.13 0.81 0.05 -0.70 -1.05 0.00 0.00 178.15 178.39 1wx6 s GLU 46 N -2.59 1.00 -0.15 0.16 2.12 -1.08 -4.57 118.70 113.59 1wx6 s GLU 46 Ca -0.14 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.13 1wx6 s GLU 46 Cb 0.07 0.46 0.02 0.00 0.26 0.00 0.00 34.13 34.94 1wx6 s GLU 46 CO 0.83 -0.34 -0.15 0.15 -0.54 0.00 0.00 175.26 175.20 1wx6 s LYS 47 N -1.92 2.42 -0.46 4.30 1.02 -1.26 -0.71 119.74 123.14 1wx6 s LYS 47 Ca -0.08 -0.61 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 1wx6 s LYS 47 Cb -0.01 -2.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.11 1wx6 s LYS 47 CO 0.03 -0.22 1.77 -1.25 -0.92 0.00 0.00 175.35 174.76 1wx6 s PRO 48 N 1.42 3.08 0.11 -1.68 0.04 -1.26 -4.90 135.00 131.80 1wx6 s PRO 48 Ca 0.04 1.02 -0.32 0.00 0.04 0.00 0.00 61.00 61.78 1wx6 s PRO 48 Cb -0.13 -4.25 -0.10 0.00 0.04 0.00 0.00 34.50 30.05 1wx6 s PRO 48 CO -0.10 -2.18 1.58 0.93 0.04 0.00 0.00 177.00 177.27 1wx6 h GLU 49 N 13.42 -0.63 -0.79 4.56 5.08 -1.98 -2.62 114.58 131.62 1wx6 h GLU 49 Ca -0.30 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1wx6 h GLU 49 Cb 1.16 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.43 1wx6 h GLU 49 CO 1.12 -0.42 -0.49 -0.91 -1.00 0.00 0.00 179.01 177.30 1wx6 h ASN 50 N -0.66 -1.76 -3.81 1.42 2.35 -2.00 -3.11 115.58 108.01 1wx6 h ASN 50 Ca 0.02 0.29 -0.74 0.00 -0.55 0.00 0.00 56.30 55.32 1wx6 h ASN 50 Cb 0.69 0.80 -0.32 0.00 0.05 0.00 0.00 38.32 39.55 1wx6 h ASN 50 CO -0.28 -0.30 -0.07 -0.62 -1.65 0.00 0.00 177.43 174.52 1wx6 s ASP 51 N -5.31 6.11 0.55 5.81 -1.08 -1.00 -4.88 116.67 116.87 1wx6 s ASP 51 Ca -0.13 -3.11 0.34 0.00 -0.52 0.00 0.00 52.55 49.12 1wx6 s ASP 51 Cb 0.13 -2.01 1.39 0.00 -1.46 0.00 0.00 42.92 40.97 1wx6 s ASP 51 CO 0.65 -0.37 2.00 1.55 0.52 0.00 0.00 175.17 179.52 1wx6 h PRO 52 N 6.96 0.00 0.00 4.34 0.13 -1.45 -2.67 132.00 139.30 1wx6 h PRO 52 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1wx6 h PRO 52 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1wx6 h PRO 52 CO 0.79 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.97 1wx6 n GLU 53 N -3.12 0.01 -4.36 0.86 1.02 -1.26 -4.69 120.64 109.10 1wx6 n GLU 53 Ca 0.00 0.30 -0.23 0.00 -0.02 0.00 0.00 57.16 57.21 1wx6 n GLU 53 Cb 0.30 -1.53 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 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 -3.03 1.96 0.07 -0.32 0.52 -1.01 -3.43 118.94 113.70 1wx6 s TRP 54 Ca 0.06 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 55.78 1wx6 s TRP 54 Cb 0.08 -0.98 -0.03 0.00 -1.15 0.00 0.00 33.47 31.39 1wx6 s TRP 54 CO 0.23 0.38 -0.11 -1.58 0.02 0.00 0.00 176.95 175.89 1wx6 s TRP 55 N -1.90 1.00 -0.35 -1.98 0.51 0.11 -4.31 118.94 112.02 1wx6 s TRP 55 Ca 0.17 -0.53 -0.13 0.00 -2.12 0.00 0.00 56.10 53.49 1wx6 s TRP 55 Cb -0.07 -0.56 -0.01 0.00 -0.81 0.00 0.00 33.47 32.02 1wx6 s TRP 55 CO 0.07 -0.00 0.24 0.21 -0.51 0.00 0.00 176.95 176.96 1wx6 s LYS 56 N -2.00 3.32 0.35 4.98 2.20 0.12 -0.30 119.74 128.40 1wx6 s LYS 56 Ca -0.02 -0.76 0.03 0.00 -0.36 0.00 0.00 55.97 54.86 1wx6 s LYS 56 Cb -0.08 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 1wx6 s LYS 56 CO 0.01 -0.52 0.11 0.00 -0.36 0.00 0.00 175.35 174.59 1wx6 s LYS 58 N -3.81 2.09 0.59 0.00 2.20 -1.12 -2.77 119.74 116.93 1wx6 s LYS 58 Ca 0.30 -0.50 -0.10 0.00 -0.36 0.00 0.00 55.97 55.32 1wx6 s LYS 58 Cb 0.05 -1.87 0.15 0.00 -1.51 0.00 0.00 37.83 34.65 1wx6 s LYS 58 CO 0.15 -0.14 0.59 0.27 -0.36 0.00 0.00 175.35 175.86 1wx6 n ASN 59 N 4.46 -1.13 0.17 1.43 0.23 -0.73 -4.06 115.26 115.63 1wx6 n ASN 59 Ca -0.18 -0.95 0.01 0.00 -0.53 0.00 0.00 54.58 52.94 1wx6 n ASN 59 Cb 0.51 -0.52 0.31 0.00 -2.08 0.00 0.00 39.78 38.00 1wx6 n ASN 59 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wx6 h ALA 60 N -2.25 1.28 0.00 -2.53 0.00 -1.91 -2.41 119.26 111.44 1wx6 h ALA 60 Ca -0.21 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1wx6 h ALA 60 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wx6 h ALA 60 CO 0.14 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1wx6 h ARG 61 N 0.02 0.00 0.00 0.00 2.47 -1.98 -3.46 114.38 111.43 1wx6 h ARG 61 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1wx6 h ARG 61 Cb 0.76 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 1wx6 h ARG 61 CO 0.06 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.00 1wx6 n GLY 62 N 0.01 0.81 3.80 0.04 0.00 -0.91 -5.08 105.19 103.87 1wx6 n GLY 62 Ca 0.01 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.62 3.56 0.02 1.61 -1.52 -1.26 -4.87 119.66 116.58 1wx6 s GLN 63 Ca 0.00 -0.21 0.02 0.00 -1.95 0.00 0.00 55.36 53.22 1wx6 s GLN 63 Cb 0.00 -3.17 -0.04 0.00 -0.22 0.00 0.00 33.01 29.58 1wx6 s GLN 63 CO 0.00 0.63 0.04 0.14 -0.25 0.00 0.00 175.29 175.85 1wx6 s VAL 64 N -0.63 4.38 0.11 1.09 -7.23 -1.26 -1.77 120.40 115.10 1wx6 s VAL 64 Ca 0.12 -0.62 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 1wx6 s VAL 64 Cb -0.12 -3.01 0.05 0.00 0.56 0.00 0.00 36.38 33.86 1wx6 s VAL 64 CO 0.02 0.29 0.69 0.61 -0.31 0.00 0.00 175.10 176.40 1wx6 n GLY 65 N 1.06 0.81 3.57 2.32 0.00 -1.11 -4.82 105.19 107.02 1wx6 n GLY 65 Ca -0.13 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 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 4.23 -0.06 0.99 1.43 0.13 -3.12 118.68 122.28 1wx6 s LEU 66 Ca 0.15 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1wx6 s LEU 66 Cb -0.02 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 1wx6 s LEU 66 CO 0.03 -0.70 -0.15 0.54 0.23 0.00 0.00 176.35 176.31 1wx6 s VAL 67 N 2.93 3.02 -0.08 -1.59 0.11 0.58 -3.20 120.40 122.16 1wx6 s VAL 67 Ca 0.27 -0.73 -0.30 0.00 -2.93 0.00 0.00 61.98 58.30 1wx6 s VAL 67 Cb -0.14 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1wx6 s VAL 67 CO 0.17 0.58 1.51 -2.16 -3.33 0.00 0.00 175.10 171.87 1wx6 s PRO 68 N -0.55 4.21 0.13 1.54 0.04 -1.26 -0.71 135.00 138.39 1wx6 s PRO 68 Ca 0.08 2.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.98 1wx6 s PRO 68 Cb -0.11 -3.88 -0.01 0.00 0.04 0.00 0.00 34.50 30.54 1wx6 s PRO 68 CO 0.01 -0.78 1.60 1.57 0.04 0.00 0.00 177.00 179.45 1wx6 h LYS 69 N 8.96 0.71 0.00 4.56 2.10 -1.89 -2.33 116.57 128.67 1wx6 h LYS 69 Ca -0.35 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 1wx6 h LYS 69 Cb 1.15 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1wx6 h LYS 69 CO 0.95 0.75 0.35 -2.95 -2.00 0.00 0.00 179.45 176.56 1wx6 h ASN 70 N 0.56 0.00 0.31 7.07 7.08 -1.91 0.65 115.58 129.33 1wx6 h ASN 70 Ca 0.13 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 53.12 1wx6 h ASN 70 Cb 0.40 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.60 1wx6 h ASN 70 CO 0.01 0.00 -1.90 -1.22 -2.08 0.00 0.00 177.43 172.24 1wx6 n TYR 71 N -2.45 0.47 -3.61 4.14 4.02 -0.89 -4.98 117.16 113.86 1wx6 n TYR 71 Ca -0.01 0.16 -0.20 0.00 -0.01 0.00 0.00 57.90 57.84 1wx6 n TYR 71 Cb 0.38 -0.97 0.02 0.00 -0.02 0.00 0.00 39.34 38.75 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 -2.75 0.00 -3.67 -0.72 0.24 0.23 -1.86 118.33 109.80 1wx6 n VAL 72 Ca -0.18 -1.72 -0.13 0.00 -2.04 0.00 0.00 64.34 60.27 1wx6 n VAL 72 Cb 0.94 -0.24 -0.08 0.00 -1.47 0.00 0.00 33.84 32.98 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 -2.15 -0.00 -0.15 3.34 -7.23 -0.48 -4.88 120.40 108.86 1wx6 s VAL 73 Ca 0.32 0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 60.20 1wx6 s VAL 73 Cb -0.03 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 1wx6 s VAL 73 CO 0.20 0.00 1.23 -0.69 -0.31 0.00 0.00 175.10 175.54 1wx6 s VAL 74 N 0.53 4.31 -0.15 1.32 1.01 -1.26 -0.47 120.40 125.70 1wx6 s VAL 74 Ca -0.02 1.60 -0.10 0.00 0.00 0.00 0.00 61.98 63.46 1wx6 s VAL 74 Cb -0.05 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1wx6 s VAL 74 CO -0.02 -0.11 -0.17 0.18 0.00 0.00 0.00 175.10 174.97 1wx6 n LEU 75 N 6.32 1.82 -4.70 3.92 4.77 0.29 -4.97 117.00 124.44 1wx6 n LEU 75 Ca 0.13 0.61 -0.25 0.00 -0.03 0.00 0.00 56.01 56.47 1wx6 n LEU 75 Cb 0.45 -0.87 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1wx6 n LEU 75 CO 0.55 -0.42 -0.21 -0.94 -1.33 0.00 0.00 177.39 175.04 1wx6 s SER 76 N -5.80 4.26 -0.96 -1.43 1.04 -1.22 -5.04 113.70 104.56 1wx6 s SER 76 Ca -0.16 -1.14 -0.03 0.00 0.48 0.00 0.00 55.95 55.11 1wx6 s SER 76 Cb 0.02 -0.47 0.26 0.00 0.10 0.00 0.00 66.02 65.94 1wx6 s SER 76 CO 0.25 -0.48 1.05 0.47 0.98 0.00 0.00 173.24 175.51 1wx6 n ASP 77 N -1.14 5.06 0.00 7.02 9.92 -1.26 -3.48 116.55 132.67 1wx6 n ASP 77 Ca -0.02 -3.25 0.00 0.00 -0.53 0.00 0.00 54.79 50.99 1wx6 n ASP 77 Cb 0.65 -1.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 1wx6 n ASP 77 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wx6 n GLY 78 N 1.84 1.04 0.13 0.44 0.00 -1.09 -4.69 105.19 102.86 1wx6 n GLY 78 Ca 0.25 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.41 0.20 -1.06 1.61 -0.04 -1.26 -4.51 135.00 129.53 1wx6 n PRO 79 Ca 0.00 0.43 -0.28 0.00 -0.04 0.00 0.00 63.50 63.60 1wx6 n PRO 79 Cb 0.00 -1.88 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 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 -1.78 0.23 -0.06 0.55 0.00 -1.26 -4.69 120.51 113.50 1wx6 n ALA 80 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1wx6 n ALA 80 Cb 0.23 -1.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 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 7.29 2.11 -4.81 0.00 7.94 -1.26 -4.98 117.00 123.29 1wx6 n LEU 81 Ca 0.47 0.03 -0.37 0.00 -1.11 0.00 0.00 56.01 55.03 1wx6 n LEU 81 Cb 0.02 -0.38 -0.06 0.00 0.53 0.00 0.00 43.42 43.53 1wx6 n LEU 81 CO 0.67 0.51 0.43 -1.38 -1.11 0.00 0.00 177.39 176.51 1wx6 s HIS 82 N -2.23 3.68 0.54 1.96 -3.43 -1.26 -5.05 115.29 109.51 1wx6 s HIS 82 Ca -0.16 1.42 -0.19 0.00 -0.80 0.00 0.00 55.06 55.33 1wx6 s HIS 82 Cb 0.05 -2.64 -0.06 0.00 -1.43 0.00 0.00 32.58 28.50 1wx6 s HIS 82 CO 0.24 0.36 1.13 -1.25 -2.00 0.00 0.00 174.74 173.22 1wx6 s PRO 83 N -1.87 3.35 0.63 -0.38 0.04 -1.26 -5.00 135.00 130.52 1wx6 s PRO 83 Ca 0.42 1.61 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 1wx6 s PRO 83 Cb -0.17 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1wx6 s PRO 83 CO 0.22 -0.85 1.22 0.00 0.04 0.00 0.00 177.00 177.63 1wx6 s ALA 84 N -1.77 2.43 -0.14 8.56 0.00 -1.26 -4.98 121.76 124.59 1wx6 s ALA 84 Ca 0.73 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 53.62 1wx6 s ALA 84 Cb -0.24 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.35 1wx6 s ALA 84 CO 0.27 -1.39 -0.18 1.58 0.00 0.00 0.00 175.76 176.04 1wx6 n HIS 85 N -1.90 0.00 -1.93 0.00 -0.00 -1.26 -4.95 115.22 105.18 1wx6 n HIS 85 Ca 0.14 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.89 1wx6 n HIS 85 Cb 0.50 -0.51 -0.03 0.00 -0.12 0.00 0.00 29.99 29.83 1wx6 n HIS 85 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1wx6 s SER 86 N -6.28 6.07 0.00 0.26 1.04 -1.26 -4.94 113.70 108.58 1wx6 s SER 86 Ca -0.20 1.71 0.00 0.00 0.48 0.00 0.00 55.95 57.94 1wx6 s SER 86 Cb 0.08 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1wx6 s SER 86 CO 0.25 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.58 1wx6 n GLY 87 N 5.08 5.49 3.57 7.32 0.00 -1.26 -5.08 105.19 120.30 1wx6 n GLY 87 Ca 0.22 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.02 2.96 -0.19 1.61 0.04 -1.26 -4.93 135.00 133.22 1wx6 s PRO 88 Ca 0.00 0.91 -0.28 0.00 0.04 0.00 0.00 61.00 61.68 1wx6 s PRO 88 Cb 0.00 -4.29 0.10 0.00 0.04 0.00 0.00 34.50 30.35 1wx6 s PRO 88 CO 0.00 -2.32 0.87 0.45 0.04 0.00 0.00 177.00 176.04 1wx6 s SER 89 N 6.98 -0.55 0.05 6.66 0.15 -1.26 -5.08 113.70 120.65 1wx6 s SER 89 Ca 0.71 0.86 0.00 0.00 0.70 0.00 0.00 55.95 58.21 1wx6 s SER 89 Cb -0.16 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1wx6 s SER 89 CO 0.26 -0.33 0.00 -0.24 1.20 0.00 0.00 173.24 174.13 1wx6 n SER 90 N 1.66 0.23 0.00 5.45 2.88 -1.26 -5.25 113.62 117.33 1wx6 n SER 90 Ca -0.14 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1wx6 n SER 90 Cb 0.56 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1wx6 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42