#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx6 h SER 2 N 0.00 0.16 0.05 1.61 0.87 -2.07 -3.42 113.55 110.75 1wx6 h SER 2 Ca 0.00 -0.67 -0.26 0.00 -1.23 0.00 0.00 61.79 59.63 1wx6 h SER 2 Cb 0.00 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1wx6 h SER 2 CO 0.00 1.62 -1.38 -1.28 -0.53 0.00 0.00 176.83 175.26 1wx6 h SER 3 N -0.62 0.17 0.00 6.23 0.87 -2.08 -3.48 113.55 114.64 1wx6 h SER 3 Ca -0.37 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.49 1wx6 h SER 3 Cb 1.57 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 1wx6 h SER 3 CO -0.10 1.57 0.00 0.61 -0.53 0.00 0.00 176.83 178.38 1wx6 n GLY 4 N 1.63 -1.76 3.71 5.77 0.00 -1.26 -5.12 105.19 108.16 1wx6 n GLY 4 Ca -0.29 0.76 -0.60 0.00 0.00 0.00 0.00 46.02 45.89 1wx6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wx6 n SER 5 N 0.00 2.09 -4.85 1.61 2.88 -1.26 -4.92 113.62 109.17 1wx6 n SER 5 Ca 0.00 1.10 -0.31 0.00 -1.33 0.00 0.00 58.87 58.33 1wx6 n SER 5 Cb 0.00 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 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 3.29 6.17 -0.12 -3.46 0.15 -1.26 -5.06 113.70 113.41 1wx6 s SER 6 Ca 0.99 1.52 -0.03 0.00 0.70 0.00 0.00 55.95 59.13 1wx6 s SER 6 Cb -1.16 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 60.63 1wx6 s SER 6 CO 0.68 -0.91 0.00 -0.83 1.20 0.00 0.00 173.24 173.39 1wx6 s GLY 7 N -3.74 1.83 -0.70 9.45 0.00 -1.26 -5.01 107.32 107.89 1wx6 s GLY 7 Ca 0.57 -0.80 -0.02 0.00 0.00 0.00 0.00 44.72 44.48 1wx6 s GLY 7 CO 0.47 -0.35 1.99 1.04 0.00 0.00 0.00 173.10 176.25 1wx6 n LEU 8 N 2.68 7.53 -3.58 0.66 4.77 -1.26 -4.93 117.00 122.87 1wx6 n LEU 8 Ca -0.18 -4.47 -0.07 0.00 -0.03 0.00 0.00 56.01 51.26 1wx6 n LEU 8 Cb 0.53 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 1wx6 n LEU 8 CO 0.30 1.58 0.89 -0.55 -1.33 0.00 0.00 177.39 178.29 1wx6 s SER 9 N -1.71 -0.24 0.16 -1.43 0.15 -1.26 -5.17 113.70 104.19 1wx6 s SER 9 Ca 0.61 0.13 -0.19 0.00 0.70 0.00 0.00 55.95 57.19 1wx6 s SER 9 Cb 0.49 0.23 0.05 0.00 -1.71 0.00 0.00 66.02 65.07 1wx6 s SER 9 CO -0.12 -0.32 0.51 0.20 1.20 0.00 0.00 173.24 174.71 1wx6 s ASN 10 N -1.75 -0.37 0.00 5.45 0.01 -1.26 -5.16 114.94 111.86 1wx6 s ASN 10 Ca 0.05 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 1wx6 s ASN 10 Cb -0.01 0.55 0.00 0.00 0.41 0.00 0.00 41.25 42.20 1wx6 s ASN 10 CO -0.04 -0.95 0.00 0.61 -1.51 0.00 0.00 177.10 175.21 1wx6 n GLY 11 N -0.31 0.93 0.38 0.66 0.00 -1.26 -4.84 105.19 100.75 1wx6 n GLY 11 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1wx6 n GLY 11 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wx6 h GLN 12 N 0.00 -0.36 0.00 1.61 1.08 -2.07 -3.48 115.11 111.90 1wx6 h GLN 12 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1wx6 h GLN 12 Cb 0.00 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1wx6 h GLN 12 CO 0.00 -0.24 0.00 0.41 -0.95 0.00 0.00 178.83 178.05 1wx6 n GLY 13 N -1.42 3.66 3.61 3.46 0.00 -1.26 -5.18 105.19 108.05 1wx6 n GLY 13 Ca -0.02 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.81 1wx6 n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wx6 s SER 14 N 0.00 -0.31 0.44 1.61 0.15 -1.26 -5.12 113.70 109.21 1wx6 s SER 14 Ca 0.00 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.51 1wx6 s SER 14 Cb 0.00 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 1wx6 s SER 14 CO 0.00 -0.80 0.03 0.00 1.20 0.00 0.00 173.24 173.67 1wx6 s ARG 15 N -3.29 2.01 -0.66 5.44 1.04 -1.26 -5.06 118.95 117.16 1wx6 s ARG 15 Ca 0.08 -2.21 -0.26 0.00 -1.04 0.00 0.00 55.73 52.30 1wx6 s ARG 15 Cb -0.01 -1.39 -0.02 0.00 -2.04 0.00 0.00 34.95 31.49 1wx6 s ARG 15 CO -0.04 -0.24 1.82 0.08 -0.04 0.00 0.00 175.30 176.88 1wx6 s VAL 16 N -2.90 3.40 0.01 4.99 1.01 -1.26 -4.45 120.40 121.19 1wx6 s VAL 16 Ca 0.23 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.15 1wx6 s VAL 16 Cb 0.06 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 1wx6 s VAL 16 CO 0.11 -1.00 1.00 -0.07 0.00 0.00 0.00 175.10 175.14 1wx6 h LEU 17 N 16.30 -0.61 -7.30 3.92 3.38 -0.89 -3.36 115.31 126.75 1wx6 h LEU 17 Ca -0.22 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1wx6 h LEU 17 Cb 1.13 0.16 -0.22 0.00 0.09 0.00 0.00 40.66 41.82 1wx6 h LEU 17 CO 1.22 -0.32 -0.16 -1.00 0.09 0.00 0.00 178.44 178.27 1wx6 s HIS 18 N -4.10 -0.43 -0.29 1.13 3.76 -1.24 -1.38 115.29 112.74 1wx6 s HIS 18 Ca -0.11 0.92 -0.21 0.00 -0.15 0.00 0.00 55.06 55.51 1wx6 s HIS 18 Cb 0.01 0.18 -0.01 0.00 1.11 0.00 0.00 32.58 33.87 1wx6 s HIS 18 CO 0.32 -0.34 0.67 0.08 -0.85 0.00 0.00 174.74 174.62 1wx6 s VAL 19 N -0.43 4.91 0.26 -0.90 1.01 -1.13 -0.98 120.40 123.14 1wx6 s VAL 19 Ca -0.06 1.01 0.11 0.00 0.00 0.00 0.00 61.98 63.04 1wx6 s VAL 19 Cb -0.03 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1wx6 s VAL 19 CO 0.03 -0.13 -0.12 0.68 0.00 0.00 0.00 175.10 175.56 1wx6 s VAL 20 N 2.68 2.91 0.21 2.92 -7.23 -1.02 -0.92 120.40 119.96 1wx6 s VAL 20 Ca 0.27 -2.13 0.11 0.00 -1.81 0.00 0.00 61.98 58.43 1wx6 s VAL 20 Cb -0.15 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1wx6 s VAL 20 CO 0.11 -0.35 -0.22 -1.58 -0.31 0.00 0.00 175.10 172.75 1wx6 s GLN 21 N -3.47 1.53 -0.31 4.82 0.74 -0.24 -1.46 119.66 121.28 1wx6 s GLN 21 Ca 0.30 -1.58 -0.13 0.00 0.05 0.00 0.00 55.36 54.00 1wx6 s GLN 21 Cb -0.06 -1.76 -0.03 0.00 1.10 0.00 0.00 33.01 32.25 1wx6 s GLN 21 CO 0.17 0.37 0.28 0.95 -0.55 0.00 0.00 175.29 176.51 1wx6 s THR 22 N -1.94 5.24 0.03 -0.34 -4.23 0.02 -1.50 115.64 112.92 1wx6 s THR 22 Ca 0.23 0.14 -0.17 0.00 -1.18 0.00 0.00 61.69 60.71 1wx6 s THR 22 Cb -0.07 -3.68 -0.32 0.00 1.34 0.00 0.00 72.50 69.78 1wx6 s THR 22 CO 0.11 0.09 1.04 -0.07 -0.54 0.00 0.00 174.62 175.24 1wx6 h LEU 23 N 8.54 0.80 -8.63 4.79 3.38 -1.58 -1.15 115.31 121.46 1wx6 h LEU 23 Ca -0.32 -0.87 -0.64 0.00 0.09 0.00 0.00 57.88 56.14 1wx6 h LEU 23 Cb 1.17 -0.26 -0.26 0.00 0.09 0.00 0.00 40.66 41.39 1wx6 h LEU 23 CO 0.62 1.61 -0.86 -0.31 0.09 0.00 0.00 178.44 179.59 1wx6 s TYR 24 N -2.78 2.06 0.05 1.13 1.51 -1.25 -4.58 117.35 113.50 1wx6 s TYR 24 Ca -0.10 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.26 1wx6 s TYR 24 Cb 0.04 -1.24 -0.07 0.00 -0.11 0.00 0.00 41.96 40.58 1wx6 s TYR 24 CO 0.92 0.10 1.41 -1.25 -1.11 0.00 0.00 175.55 175.61 1wx6 s PRO 25 N -1.14 4.29 -0.04 -1.71 0.04 -1.26 -4.62 135.00 130.55 1wx6 s PRO 25 Ca 0.10 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.18 1wx6 s PRO 25 Cb -0.09 -3.45 0.01 0.00 0.04 0.00 0.00 34.50 31.00 1wx6 s PRO 25 CO 0.02 -0.53 -0.10 0.12 0.04 0.00 0.00 177.00 176.55 1wx6 s PHE 26 N 1.92 1.16 -0.19 0.56 2.19 -1.12 -4.91 117.98 117.59 1wx6 s PHE 26 Ca 0.65 -0.36 -0.03 0.00 0.33 0.00 0.00 56.93 57.52 1wx6 s PHE 26 Cb -0.34 -0.85 -0.01 0.00 -1.31 0.00 0.00 43.02 40.51 1wx6 s PHE 26 CO 0.28 -0.18 -0.08 -1.12 1.83 0.00 0.00 175.22 175.95 1wx6 s SER 27 N 0.47 4.15 -0.57 6.13 0.01 -1.26 -1.00 113.70 121.62 1wx6 s SER 27 Ca -0.09 -0.39 -0.28 0.00 1.31 0.00 0.00 55.95 56.51 1wx6 s SER 27 Cb -0.12 -1.69 0.03 0.00 0.21 0.00 0.00 66.02 64.45 1wx6 s SER 27 CO 0.02 0.03 1.16 -0.94 0.41 0.00 0.00 173.24 173.91 1wx6 s SER 28 N 1.17 6.44 0.14 2.44 1.04 -1.18 -4.86 113.70 118.88 1wx6 s SER 28 Ca 0.02 0.05 0.08 0.00 0.48 0.00 0.00 55.95 56.58 1wx6 s SER 28 Cb -0.14 -2.54 0.46 0.00 0.10 0.00 0.00 66.02 63.90 1wx6 s SER 28 CO -0.02 -1.44 1.21 0.52 0.98 0.00 0.00 173.24 174.49 1wx6 n VAL 29 N 6.61 1.41 -4.20 5.02 0.31 -1.26 -4.67 118.33 121.55 1wx6 n VAL 29 Ca 0.08 0.60 -0.15 0.00 -0.01 0.00 0.00 64.34 64.86 1wx6 n VAL 29 Cb 0.49 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 1wx6 n VAL 29 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1wx6 n THR 30 N -1.77 0.00 0.03 2.52 5.66 -1.26 -5.07 114.28 114.38 1wx6 n THR 30 Ca -0.01 -1.91 -0.19 0.00 -3.05 0.00 0.00 64.05 58.89 1wx6 n THR 30 Cb 0.08 0.97 -0.11 0.00 -1.55 0.00 0.00 70.33 69.72 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 0.52 -0.96 1.09 5.08 -1.99 -3.28 114.58 115.04 1wx6 h GLU 31 Ca -0.19 -0.59 0.30 0.00 -1.00 0.00 0.00 59.36 57.88 1wx6 h GLU 31 Cb 0.97 0.17 -0.15 0.00 0.50 0.00 0.00 28.75 30.24 1wx6 h GLU 31 CO 0.28 1.21 0.40 0.93 -1.00 0.00 0.00 179.01 180.83 1wx6 h GLU 32 N 0.08 0.20 -6.97 2.33 5.08 -1.96 -3.40 114.58 109.93 1wx6 h GLU 32 Ca -0.11 -0.01 -0.46 0.00 -1.00 0.00 0.00 59.36 57.78 1wx6 h GLU 32 Cb 1.52 -0.04 0.05 0.00 0.50 0.00 0.00 28.75 30.77 1wx6 h GLU 32 CO 0.16 0.13 0.07 -1.21 -1.00 0.00 0.00 179.01 177.16 1wx6 s GLU 33 N -5.77 2.75 -0.01 2.33 2.02 -1.24 0.22 118.70 119.01 1wx6 s GLU 33 Ca -0.11 -0.35 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 1wx6 s GLU 33 Cb 0.29 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 1wx6 s GLU 33 CO 0.78 -0.68 0.13 -0.51 0.02 0.00 0.00 175.26 175.00 1wx6 s LEU 34 N -4.87 4.13 -0.14 1.80 1.43 -1.19 -4.48 118.68 115.37 1wx6 s LEU 34 Ca 0.54 0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 1wx6 s LEU 34 Cb -0.10 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1wx6 s LEU 34 CO 0.42 0.27 -0.10 0.54 0.23 0.00 0.00 176.35 177.71 1wx6 s ASN 35 N -1.80 4.25 0.39 2.29 2.20 -1.26 -3.10 114.94 117.91 1wx6 s ASN 35 Ca 0.25 -0.27 -0.14 0.00 -0.94 0.00 0.00 52.86 51.75 1wx6 s ASN 35 Cb -0.12 -1.67 0.06 0.00 -2.00 0.00 0.00 41.25 37.52 1wx6 s ASN 35 CO 0.16 0.16 0.77 2.22 -2.94 0.00 0.00 177.10 177.47 1wx6 n PHE 36 N 3.58 -2.32 -4.36 1.54 -1.74 -0.17 -4.94 117.46 109.04 1wx6 n PHE 36 Ca -0.18 -1.89 -0.16 0.00 -0.56 0.00 0.00 57.45 54.66 1wx6 n PHE 36 Cb 0.53 0.91 -0.04 0.00 1.52 0.00 0.00 39.48 42.40 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 1.13 -2.33 3.97 4.71 -1.26 -2.81 120.64 123.52 1wx6 n GLU 37 Ca -0.08 -1.95 -0.43 0.00 -0.01 0.00 0.00 57.16 54.69 1wx6 n GLU 37 Cb 0.59 0.70 -0.02 0.00 -1.01 0.00 0.00 31.44 31.70 1wx6 n GLU 37 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1wx6 s LYS 38 N -2.94 4.15 0.00 3.49 2.20 -1.26 -3.40 119.74 121.98 1wx6 s LYS 38 Ca 0.04 1.69 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 1wx6 s LYS 38 Cb 0.00 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 1wx6 s LYS 38 CO 0.03 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 1wx6 n GLY 39 N 3.87 0.97 3.69 5.54 0.00 -0.43 -4.96 105.19 113.87 1wx6 n GLY 39 Ca 0.15 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.90 3.32 -0.26 1.61 2.56 -1.22 -4.89 118.70 117.92 1wx6 s GLU 40 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 54.97 54.52 1wx6 s GLU 40 Cb 0.00 -2.96 -0.04 0.00 2.00 0.00 0.00 34.13 33.13 1wx6 s GLU 40 CO 0.00 0.60 0.14 0.99 -0.56 0.00 0.00 175.26 176.42 1wx6 s THR 41 N -0.57 4.91 0.50 -1.70 2.01 -1.26 -0.80 115.64 118.73 1wx6 s THR 41 Ca 0.10 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.15 1wx6 s THR 41 Cb -0.12 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 1wx6 s THR 41 CO 0.02 0.30 0.02 -0.04 -0.69 0.00 0.00 174.62 174.23 1wx6 s MET 42 N 1.61 2.16 -0.06 4.92 -1.94 -0.54 -4.74 119.30 120.73 1wx6 s MET 42 Ca 0.07 -2.38 0.00 0.00 -1.71 0.00 0.00 55.69 51.67 1wx6 s MET 42 Cb -0.15 -1.38 0.02 0.00 2.01 0.00 0.00 34.83 35.33 1wx6 s MET 42 CO 0.07 -0.39 -0.03 -1.21 -0.01 0.00 0.00 175.02 173.46 1wx6 s GLU 43 N -3.85 0.76 -0.25 2.03 2.02 -1.25 -2.42 118.70 115.74 1wx6 s GLU 43 Ca 0.08 -0.03 -0.29 0.00 0.02 0.00 0.00 54.97 54.75 1wx6 s GLU 43 Cb 0.01 -0.90 -0.02 0.00 0.10 0.00 0.00 34.13 33.33 1wx6 s GLU 43 CO 0.04 -0.17 1.57 0.08 0.02 0.00 0.00 175.26 176.81 1wx6 s VAL 44 N 1.32 3.75 -0.20 2.63 1.01 -0.15 -3.00 120.40 125.76 1wx6 s VAL 44 Ca -0.05 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.79 1wx6 s VAL 44 Cb -0.13 -3.79 -0.21 0.00 0.00 0.00 0.00 36.38 32.24 1wx6 s VAL 44 CO -0.02 -0.35 0.02 2.30 0.00 0.00 0.00 175.10 177.04 1wx6 n ILE 45 N 6.50 1.57 -3.66 2.22 -5.35 -0.72 -0.20 119.36 119.72 1wx6 n ILE 45 Ca 0.18 -0.64 -0.11 0.00 -0.27 0.00 0.00 62.75 61.91 1wx6 n ILE 45 Cb 0.46 -1.39 -0.05 0.00 -1.74 0.00 0.00 39.64 36.92 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 -2.53 1.00 -0.11 6.28 2.56 -1.14 -4.54 118.70 120.22 1wx6 s GLU 46 Ca -0.27 -0.59 0.00 0.00 0.00 0.00 0.00 54.97 54.11 1wx6 s GLU 46 Cb 0.08 0.44 0.02 0.00 2.00 0.00 0.00 34.13 36.67 1wx6 s GLU 46 CO 0.68 -0.37 -0.09 0.15 -0.56 0.00 0.00 175.26 175.07 1wx6 s LYS 47 N -3.28 1.68 0.21 4.30 1.02 -1.26 -1.59 119.74 120.83 1wx6 s LYS 47 Ca -0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 1wx6 s LYS 47 Cb 0.01 -1.65 -0.09 0.00 -0.52 0.00 0.00 37.83 35.58 1wx6 s LYS 47 CO -0.08 -0.22 1.29 -1.25 -0.92 0.00 0.00 175.35 174.17 1wx6 s PRO 48 N 1.53 4.40 -0.12 -1.68 0.04 -1.26 -4.97 135.00 132.95 1wx6 s PRO 48 Ca 0.02 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 1wx6 s PRO 48 Cb -0.13 -3.19 -0.16 0.00 0.04 0.00 0.00 34.50 31.06 1wx6 s PRO 48 CO -0.07 -0.21 0.51 1.49 0.04 0.00 0.00 177.00 178.76 1wx6 h GLU 49 N 5.10 -0.01 -0.23 4.56 4.57 -1.98 -3.28 114.58 123.30 1wx6 h GLU 49 Ca -0.45 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 57.78 1wx6 h GLU 49 Cb 1.22 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.73 1wx6 h GLU 49 CO 0.75 0.59 -0.42 -0.91 -1.18 0.00 0.00 179.01 177.85 1wx6 h ASN 50 N -0.99 -1.34 -3.75 1.04 4.21 -2.00 -3.25 115.58 109.50 1wx6 h ASN 50 Ca -0.00 0.19 -0.73 0.00 1.21 0.00 0.00 56.30 56.97 1wx6 h ASN 50 Cb 0.61 0.56 -0.33 0.00 -1.12 0.00 0.00 38.32 38.05 1wx6 h ASN 50 CO 0.00 -0.40 -0.09 -0.62 -1.29 0.00 0.00 177.43 175.03 1wx6 s ASP 51 N -4.95 6.02 0.56 5.81 -1.08 -1.26 -4.88 116.67 116.89 1wx6 s ASP 51 Ca -0.15 -3.22 0.34 0.00 -0.52 0.00 0.00 52.55 49.00 1wx6 s ASP 51 Cb 0.10 -1.98 1.42 0.00 -1.46 0.00 0.00 42.92 41.00 1wx6 s ASP 51 CO 0.65 -0.33 2.00 1.55 0.52 0.00 0.00 175.17 179.56 1wx6 h PRO 52 N 6.76 0.00 0.00 4.34 0.13 -1.62 -2.73 132.00 138.89 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 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1wx6 h PRO 52 CO 0.80 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.50 1wx6 h GLU 53 N 0.00 0.00 -6.52 0.86 5.08 -1.90 -3.43 114.58 108.67 1wx6 h GLU 53 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 1wx6 h GLU 53 Cb 0.49 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.58 1wx6 h GLU 53 CO 0.00 0.00 -0.75 -1.58 -1.00 0.00 0.00 179.01 175.68 1wx6 s TRP 54 N -3.67 2.61 0.06 4.33 0.52 -1.03 -2.99 118.94 118.77 1wx6 s TRP 54 Ca 0.00 -0.23 0.05 0.00 0.02 0.00 0.00 56.10 55.94 1wx6 s TRP 54 Cb 0.10 -1.31 -0.03 0.00 -1.15 0.00 0.00 33.47 31.08 1wx6 s TRP 54 CO 0.43 0.47 -0.14 -1.58 0.02 0.00 0.00 176.95 176.15 1wx6 s TRP 55 N -1.52 1.24 -0.36 -1.98 0.51 0.88 -4.34 118.94 113.36 1wx6 s TRP 55 Ca 0.23 -0.42 -0.16 0.00 -2.12 0.00 0.00 56.10 53.62 1wx6 s TRP 55 Cb -0.09 -0.71 -0.00 0.00 -0.81 0.00 0.00 33.47 31.86 1wx6 s TRP 55 CO 0.14 0.05 0.42 0.21 -0.51 0.00 0.00 176.95 177.26 1wx6 s LYS 56 N -1.54 3.47 0.26 4.98 2.20 -0.62 -0.26 119.74 128.24 1wx6 s LYS 56 Ca -0.01 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.20 1wx6 s LYS 56 Cb -0.09 -3.84 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1wx6 s LYS 56 CO 0.02 -0.63 0.08 0.00 -0.36 0.00 0.00 175.35 174.46 1wx6 s LYS 58 N -4.01 2.93 0.84 0.00 2.20 -1.16 -2.60 119.74 117.93 1wx6 s LYS 58 Ca 0.37 -0.83 -0.11 0.00 -0.36 0.00 0.00 55.97 55.03 1wx6 s LYS 58 Cb 0.08 -2.29 0.19 0.00 -1.51 0.00 0.00 37.83 34.30 1wx6 s LYS 58 CO 0.13 0.08 1.14 0.27 -0.36 0.00 0.00 175.35 176.61 1wx6 n ASN 59 N 3.80 0.38 0.26 1.43 0.23 -0.75 -3.81 115.26 116.80 1wx6 n ASN 59 Ca -0.20 -1.59 0.08 0.00 -0.53 0.00 0.00 54.58 52.34 1wx6 n ASN 59 Cb 0.52 -0.85 0.64 0.00 -2.08 0.00 0.00 39.78 38.02 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 -1.51 1.95 0.00 -2.53 0.00 -1.91 0.27 119.26 115.53 1wx6 h ALA 60 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1wx6 h ALA 60 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wx6 h ALA 60 CO 0.29 0.02 0.00 0.54 0.00 0.00 0.00 179.25 180.10 1wx6 n ARG 61 N -4.48 0.60 -2.24 0.00 5.12 -1.26 -4.84 116.66 109.57 1wx6 n ARG 61 Ca -0.03 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.78 1wx6 n ARG 61 Cb 0.10 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 0.22 -0.10 3.51 -0.13 0.00 0.08 -5.02 105.19 103.76 1wx6 n GLY 62 Ca 0.15 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.60 2.62 0.02 1.61 -1.52 -1.26 -4.90 119.66 111.64 1wx6 s GLN 63 Ca 0.01 -0.64 0.01 0.00 -1.95 0.00 0.00 55.36 52.79 1wx6 s GLN 63 Cb -0.00 -2.47 -0.04 0.00 -0.22 0.00 0.00 33.01 30.28 1wx6 s GLN 63 CO 0.01 0.63 0.08 0.14 -0.25 0.00 0.00 175.29 175.90 1wx6 s VAL 64 N -0.73 4.68 0.08 1.09 -7.23 -1.26 -1.81 120.40 115.22 1wx6 s VAL 64 Ca 0.11 -0.50 -0.07 0.00 -1.81 0.00 0.00 61.98 59.71 1wx6 s VAL 64 Cb -0.11 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.68 1wx6 s VAL 64 CO 0.01 0.29 0.32 0.61 -0.31 0.00 0.00 175.10 176.02 1wx6 n GLY 65 N 0.98 1.21 3.48 2.32 0.00 -1.07 -4.90 105.19 107.22 1wx6 n GLY 65 Ca -0.12 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 4.81 -0.10 0.99 1.43 0.13 -3.10 118.68 122.85 1wx6 s LEU 66 Ca 0.07 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1wx6 s LEU 66 Cb -0.01 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 1wx6 s LEU 66 CO 0.02 -0.68 -0.08 0.54 0.23 0.00 0.00 176.35 176.38 1wx6 s VAL 67 N 2.38 3.54 -0.09 -1.59 0.11 0.65 -3.14 120.40 122.25 1wx6 s VAL 67 Ca 0.15 -0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 58.39 1wx6 s VAL 67 Cb -0.17 -2.48 -0.04 0.00 -1.53 0.00 0.00 36.38 32.16 1wx6 s VAL 67 CO 0.15 0.56 1.52 -2.16 -3.33 0.00 0.00 175.10 171.83 1wx6 s PRO 68 N -0.26 4.20 0.40 1.54 0.04 -1.26 -0.08 135.00 139.57 1wx6 s PRO 68 Ca 0.03 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.15 1wx6 s PRO 68 Cb -0.13 -3.91 0.82 0.00 0.04 0.00 0.00 34.50 31.32 1wx6 s PRO 68 CO 0.03 -0.80 2.02 1.57 0.04 0.00 0.00 177.00 179.85 1wx6 h LYS 69 N 9.07 0.49 0.00 4.56 2.10 -1.87 -0.80 116.57 130.12 1wx6 h LYS 69 Ca -0.35 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1wx6 h LYS 69 Cb 1.15 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 1wx6 h LYS 69 CO 0.96 0.38 0.00 0.09 -2.00 0.00 0.00 179.45 178.88 1wx6 n ASN 70 N -4.42 0.42 -0.06 7.07 3.02 -1.26 -0.93 115.26 119.09 1wx6 n ASN 70 Ca 0.02 0.70 -0.01 0.00 -0.03 0.00 0.00 54.58 55.25 1wx6 n ASN 70 Cb 0.11 -0.75 -0.16 0.00 -0.61 0.00 0.00 39.78 38.37 1wx6 n ASN 70 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wx6 n TYR 71 N -2.06 0.00 -3.67 3.10 4.02 -0.32 -5.00 117.16 113.23 1wx6 n TYR 71 Ca -0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.70 1wx6 n TYR 71 Cb 0.03 -0.78 0.01 0.00 -0.02 0.00 0.00 39.34 38.58 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 -2.54 0.00 -3.63 -0.72 0.24 -0.11 -1.42 118.33 110.15 1wx6 n VAL 72 Ca -0.21 -1.57 -0.15 0.00 -2.04 0.00 0.00 64.34 60.38 1wx6 n VAL 72 Cb 0.91 -0.23 -0.07 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 -1.94 0.00 -0.24 3.34 -7.23 -0.56 -4.87 120.40 108.90 1wx6 s VAL 73 Ca 0.26 -0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 60.13 1wx6 s VAL 73 Cb -0.02 -0.93 0.00 0.00 0.56 0.00 0.00 36.38 35.99 1wx6 s VAL 73 CO 0.17 -0.01 1.14 -0.69 -0.31 0.00 0.00 175.10 175.40 1wx6 s VAL 74 N 0.03 4.47 -0.12 1.32 1.01 -1.26 -1.08 120.40 124.77 1wx6 s VAL 74 Ca -0.02 1.75 -0.08 0.00 0.00 0.00 0.00 61.98 63.63 1wx6 s VAL 74 Cb -0.04 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1wx6 s VAL 74 CO 0.03 -0.27 -0.15 -0.07 0.00 0.00 0.00 175.10 174.64 1wx6 h LEU 75 N 9.84 0.00 -9.36 3.92 3.38 -1.39 -3.49 115.31 118.22 1wx6 h LEU 75 Ca -0.22 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.23 1wx6 h LEU 75 Cb 1.08 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 1wx6 h LEU 75 CO 1.00 0.65 -0.56 -0.55 0.09 0.00 0.00 178.44 179.06 1wx6 s SER 76 N -5.45 2.64 -0.25 -0.43 0.15 -1.20 -5.04 113.70 104.11 1wx6 s SER 76 Ca -0.12 -1.52 -0.08 0.00 0.70 0.00 0.00 55.95 54.93 1wx6 s SER 76 Cb 0.02 0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.51 1wx6 s SER 76 CO 0.18 -0.77 0.08 -0.62 1.20 0.00 0.00 173.24 173.32 1wx6 s ASP 77 N -3.56 5.25 0.00 5.45 2.15 -1.26 -2.84 116.67 121.86 1wx6 s ASP 77 Ca 0.29 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.10 1wx6 s ASP 77 Cb 0.06 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 1wx6 s ASP 77 CO 0.14 -0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.72 1wx6 n GLY 78 N 4.89 -2.26 3.55 2.66 0.00 -0.48 -4.71 105.19 108.85 1wx6 n GLY 78 Ca -0.16 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.50 2.61 -0.98 1.61 0.04 -1.26 -4.12 135.00 132.40 1wx6 s PRO 79 Ca 0.00 0.38 -0.27 0.00 0.04 0.00 0.00 61.00 61.15 1wx6 s PRO 79 Cb 0.00 -4.56 -0.23 0.00 0.04 0.00 0.00 34.50 29.74 1wx6 s PRO 79 CO 0.00 -2.90 2.59 0.00 0.04 0.00 0.00 177.00 176.73 1wx6 n ALA 80 N 13.07 0.45 -3.71 8.56 0.00 -1.26 -1.22 120.51 136.41 1wx6 n ALA 80 Ca 0.25 -0.41 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 1wx6 n ALA 80 Cb 0.51 -2.34 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 1wx6 n ALA 80 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1wx6 n LEU 81 N 9.98 -0.61 -3.91 0.00 -0.00 -1.26 -4.83 117.00 116.37 1wx6 n LEU 81 Ca 0.65 -0.90 -0.29 0.00 -0.00 0.00 0.00 56.01 55.47 1wx6 n LEU 81 Cb 0.07 -1.14 -0.13 0.00 -0.00 0.00 0.00 43.42 42.22 1wx6 n LEU 81 CO 0.95 0.12 -0.12 -2.28 -0.00 0.00 0.00 177.39 176.06 1wx6 s HIS 82 N -2.88 3.26 0.23 1.47 2.46 -0.36 -5.09 115.29 114.38 1wx6 s HIS 82 Ca 0.48 -3.20 -0.30 0.00 0.47 0.00 0.00 55.06 52.52 1wx6 s HIS 82 Cb -0.28 -2.69 -0.09 0.00 -0.13 0.00 0.00 32.58 29.38 1wx6 s HIS 82 CO 0.73 -0.66 1.28 -1.25 -2.47 0.00 0.00 174.74 172.37 1wx6 s PRO 83 N -0.77 4.42 0.88 2.88 0.04 -1.26 -4.82 135.00 136.37 1wx6 s PRO 83 Ca 0.21 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.16 1wx6 s PRO 83 Cb -0.16 -3.17 0.15 0.00 0.04 0.00 0.00 34.50 31.35 1wx6 s PRO 83 CO -0.08 -0.18 1.24 0.00 0.04 0.00 0.00 177.00 178.03 1wx6 s ALA 84 N -0.26 2.49 0.04 8.56 0.00 -1.26 -5.05 121.76 126.28 1wx6 s ALA 84 Ca 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1wx6 s ALA 84 Cb -0.36 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1wx6 s ALA 84 CO 0.41 -2.06 0.00 0.72 0.00 0.00 0.00 175.76 174.83 1wx6 n HIS 85 N -3.52 -0.16 -3.73 0.00 8.25 -1.26 -5.07 115.22 109.73 1wx6 n HIS 85 Ca 0.12 0.03 -0.36 0.00 -0.26 0.00 0.00 57.72 57.25 1wx6 n HIS 85 Cb 0.60 0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.76 1wx6 n HIS 85 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wx6 s SER 86 N -5.25 6.54 0.00 0.41 1.04 -1.26 -4.79 113.70 110.39 1wx6 s SER 86 Ca 0.00 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1wx6 s SER 86 Cb 0.00 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1wx6 s SER 86 CO 0.00 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1wx6 n GLY 87 N 1.46 1.41 3.59 7.32 0.00 -1.26 -5.04 105.19 112.66 1wx6 n GLY 87 Ca -0.14 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 3.19 0.22 1.61 0.04 -1.26 -4.93 135.00 133.87 1wx6 s PRO 88 Ca 0.00 1.12 -0.22 0.00 0.04 0.00 0.00 61.00 61.94 1wx6 s PRO 88 Cb 0.00 -4.22 0.04 0.00 0.04 0.00 0.00 34.50 30.37 1wx6 s PRO 88 CO 0.00 -2.03 0.73 0.45 0.04 0.00 0.00 177.00 176.18 1wx6 s SER 89 N 6.22 -0.33 0.11 6.66 0.15 -1.26 -5.05 113.70 120.19 1wx6 s SER 89 Ca 0.73 -0.40 -0.30 0.00 0.70 0.00 0.00 55.95 56.68 1wx6 s SER 89 Cb -0.18 0.65 -0.11 0.00 -1.71 0.00 0.00 66.02 64.67 1wx6 s SER 89 CO 0.30 -1.17 1.61 -1.28 1.20 0.00 0.00 173.24 173.90 1wx6 h SER 90 N 2.00 -0.98 -0.01 5.45 0.87 -2.03 -3.56 113.55 115.29 1wx6 h SER 90 Ca -0.24 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1wx6 h SER 90 Cb 1.26 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 1wx6 h SER 90 CO 0.27 -0.46 0.00 0.61 -0.53 0.00 0.00 176.83 176.73