#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 0.46 -6.10 1.61 4.64 -2.05 -3.48 113.55 108.63 1wx6 h SER 2 Ca 0.00 -0.92 -0.43 0.00 -0.47 0.00 0.00 61.79 59.96 1wx6 h SER 2 Cb 0.00 -0.15 0.04 0.00 -0.31 0.00 0.00 62.40 61.98 1wx6 h SER 2 CO 0.00 1.46 -0.75 -1.20 -0.87 0.00 0.00 176.83 175.47 1wx6 n SER 3 N -4.06 -4.27 -3.53 4.97 7.64 -1.26 -2.41 113.62 110.69 1wx6 n SER 3 Ca -0.17 -0.72 -0.21 0.00 1.01 0.00 0.00 58.87 58.79 1wx6 n SER 3 Cb 0.85 -4.30 0.05 0.00 -1.01 0.00 0.00 64.21 59.81 1wx6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wx6 n GLY 4 N -1.71 -0.65 3.57 0.23 0.00 -1.26 -4.94 105.19 100.44 1wx6 n GLY 4 Ca -0.06 0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.05 -0.57 -4.68 1.61 2.88 -1.01 -4.89 113.62 103.91 1wx6 n SER 5 Ca -0.20 0.26 -0.42 0.00 -1.33 0.00 0.00 58.87 57.17 1wx6 n SER 5 Cb 0.65 -1.37 -0.03 0.00 -0.75 0.00 0.00 64.21 62.71 1wx6 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wx6 s SER 6 N -2.47 6.88 0.16 -3.46 0.01 -1.26 -4.94 113.70 108.63 1wx6 s SER 6 Ca 0.65 2.02 -0.34 0.00 1.31 0.00 0.00 55.95 59.59 1wx6 s SER 6 Cb -0.23 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.30 1wx6 s SER 6 CO 0.61 -0.72 1.38 0.61 0.41 0.00 0.00 173.24 175.54 1wx6 n GLY 7 N 3.63 0.62 2.14 3.44 0.00 -1.26 -4.90 105.19 108.86 1wx6 n GLY 7 Ca 0.13 0.61 -0.26 0.00 0.00 0.00 0.00 46.02 46.50 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 2.57 5.18 -3.84 0.99 4.77 -1.26 -5.01 117.00 120.39 1wx6 n LEU 8 Ca 0.16 -4.79 -0.12 0.00 -0.03 0.00 0.00 56.01 51.23 1wx6 n LEU 8 Cb 0.26 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 40.82 1wx6 n LEU 8 CO 0.62 2.07 -0.11 -0.94 -1.33 0.00 0.00 177.39 177.70 1wx6 s SER 9 N -3.39 -0.04 0.04 -1.43 1.04 -1.26 -5.14 113.70 103.52 1wx6 s SER 9 Ca 0.52 -0.13 -0.30 0.00 0.48 0.00 0.00 55.95 56.52 1wx6 s SER 9 Cb 0.42 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 1wx6 s SER 9 CO -0.01 -0.40 1.02 0.21 0.98 0.00 0.00 173.24 175.04 1wx6 s ASN 10 N -1.39 7.33 0.00 7.02 2.47 -1.26 -4.90 114.94 124.22 1wx6 s ASN 10 Ca -0.14 1.77 0.00 0.00 0.42 0.00 0.00 52.86 54.91 1wx6 s ASN 10 Cb -0.07 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 1wx6 s ASN 10 CO 0.02 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 173.75 1wx6 n GLY 11 N 2.79 4.01 3.55 1.21 0.00 -1.26 -5.00 105.19 110.49 1wx6 n GLY 11 Ca 0.06 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 1wx6 n GLY 11 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wx6 s GLN 12 N -5.59 3.13 0.00 1.61 0.74 -1.26 -4.86 119.66 113.43 1wx6 s GLN 12 Ca 0.00 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.03 1wx6 s GLN 12 Cb 0.00 -4.72 0.00 0.00 1.10 0.00 0.00 33.01 29.39 1wx6 s GLN 12 CO 0.00 -2.44 0.00 0.41 -0.55 0.00 0.00 175.29 172.71 1wx6 n GLY 13 N 6.12 0.29 3.61 2.59 0.00 -1.26 -5.10 105.19 111.44 1wx6 n GLY 13 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.00 -0.94 0.39 1.61 0.15 -1.26 -5.13 113.70 107.51 1wx6 s SER 14 Ca 0.00 1.37 0.02 0.00 0.70 0.00 0.00 55.95 58.04 1wx6 s SER 14 Cb 0.00 1.84 -0.01 0.00 -1.71 0.00 0.00 66.02 66.14 1wx6 s SER 14 CO 0.00 -0.20 0.09 -2.11 1.20 0.00 0.00 173.24 172.22 1wx6 n ARG 15 N 4.89 0.73 -2.15 5.44 0.00 -1.26 -5.08 116.66 119.22 1wx6 n ARG 15 Ca -0.14 -3.09 -0.43 0.00 -0.00 0.00 0.00 57.85 54.19 1wx6 n ARG 15 Cb 0.53 1.39 -0.03 0.00 -0.00 0.00 0.00 32.46 34.35 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 -2.80 3.81 -0.13 8.89 1.01 -1.26 -4.34 120.40 125.59 1wx6 s VAL 16 Ca 0.12 0.97 -0.08 0.00 0.00 0.00 0.00 61.98 63.00 1wx6 s VAL 16 Cb 0.01 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1wx6 s VAL 16 CO 0.09 -0.12 -0.15 -0.07 0.00 0.00 0.00 175.10 174.85 1wx6 h LEU 17 N 10.29 0.00 -7.24 3.92 3.38 -0.51 -3.38 115.31 121.77 1wx6 h LEU 17 Ca -0.34 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 1wx6 h LEU 17 Cb 1.15 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.65 1wx6 h LEU 17 CO 0.97 0.70 -0.25 -1.00 0.09 0.00 0.00 178.44 178.94 1wx6 s HIS 18 N -2.11 -0.58 -0.24 1.13 3.76 -1.25 -2.41 115.29 113.59 1wx6 s HIS 18 Ca -0.12 1.28 -0.29 0.00 -0.15 0.00 0.00 55.06 55.77 1wx6 s HIS 18 Cb 0.02 0.25 0.01 0.00 1.11 0.00 0.00 32.58 33.96 1wx6 s HIS 18 CO 0.18 -0.31 1.10 0.08 -0.85 0.00 0.00 174.74 174.94 1wx6 s VAL 19 N 1.00 4.54 0.22 -0.90 1.01 -1.26 -1.95 120.40 123.07 1wx6 s VAL 19 Ca -0.06 1.85 0.09 0.00 0.00 0.00 0.00 61.98 63.86 1wx6 s VAL 19 Cb -0.06 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1wx6 s VAL 19 CO -0.08 -0.24 -0.08 0.68 0.00 0.00 0.00 175.10 175.37 1wx6 s VAL 20 N 3.40 3.17 0.01 2.92 -7.23 -1.06 -0.68 120.40 120.93 1wx6 s VAL 20 Ca 0.47 -1.83 0.08 0.00 -1.81 0.00 0.00 61.98 58.89 1wx6 s VAL 20 Cb -0.16 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1wx6 s VAL 20 CO 0.10 -0.22 -0.24 -1.58 -0.31 0.00 0.00 175.10 172.85 1wx6 s GLN 21 N -3.16 1.80 -0.24 4.82 0.74 -0.24 -2.08 119.66 121.29 1wx6 s GLN 21 Ca 0.27 -0.95 -0.22 0.00 0.05 0.00 0.00 55.36 54.51 1wx6 s GLN 21 Cb -0.08 -1.84 -0.01 0.00 1.10 0.00 0.00 33.01 32.18 1wx6 s GLN 21 CO 0.16 0.49 0.71 0.95 -0.55 0.00 0.00 175.29 177.06 1wx6 s THR 22 N -0.68 4.93 -0.02 -0.34 -4.23 -0.55 -1.36 115.64 113.39 1wx6 s THR 22 Ca 0.10 1.31 -0.12 0.00 -1.18 0.00 0.00 61.69 61.80 1wx6 s THR 22 Cb -0.09 -4.01 -0.32 0.00 1.34 0.00 0.00 72.50 69.42 1wx6 s THR 22 CO 0.00 -0.01 0.77 -0.07 -0.54 0.00 0.00 174.62 174.78 1wx6 h LEU 23 N 8.97 0.67 -8.70 4.79 3.38 -1.49 0.79 115.31 123.72 1wx6 h LEU 23 Ca -0.26 -0.91 -0.65 0.00 0.09 0.00 0.00 57.88 56.16 1wx6 h LEU 23 Cb 1.11 -0.22 -0.25 0.00 0.09 0.00 0.00 40.66 41.39 1wx6 h LEU 23 CO 0.81 1.75 -0.86 -0.31 0.09 0.00 0.00 178.44 179.92 1wx6 s TYR 24 N -2.59 2.12 0.11 1.13 2.02 -1.24 -4.46 117.35 114.44 1wx6 s TYR 24 Ca -0.14 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 55.86 1wx6 s TYR 24 Cb 0.05 -1.24 -0.08 0.00 -0.40 0.00 0.00 41.96 40.29 1wx6 s TYR 24 CO 0.88 0.15 1.37 -1.25 -1.57 0.00 0.00 175.55 175.13 1wx6 s PRO 25 N -1.38 4.33 -0.16 -1.71 0.04 -1.26 -4.65 135.00 130.21 1wx6 s PRO 25 Ca 0.10 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 1wx6 s PRO 25 Cb -0.10 -3.26 0.05 0.00 0.04 0.00 0.00 34.50 31.23 1wx6 s PRO 25 CO 0.03 -0.42 0.02 0.12 0.04 0.00 0.00 177.00 176.79 1wx6 s PHE 26 N 1.12 0.93 -0.21 0.56 2.19 -1.25 -4.94 117.98 116.38 1wx6 s PHE 26 Ca 0.64 -0.67 -0.01 0.00 0.33 0.00 0.00 56.93 57.21 1wx6 s PHE 26 Cb -0.36 -0.97 0.01 0.00 -1.31 0.00 0.00 43.02 40.39 1wx6 s PHE 26 CO 0.30 -0.54 -0.11 0.45 1.83 0.00 0.00 175.22 177.16 1wx6 s SER 27 N 1.89 3.87 0.78 6.13 0.15 -1.26 -3.05 113.70 122.20 1wx6 s SER 27 Ca 0.01 -0.63 -0.04 0.00 0.70 0.00 0.00 55.95 55.99 1wx6 s SER 27 Cb -0.16 -1.62 0.14 0.00 -1.71 0.00 0.00 66.02 62.68 1wx6 s SER 27 CO -0.07 -0.04 0.95 -1.54 1.20 0.00 0.00 173.24 173.73 1wx6 n SER 28 N 4.69 0.87 -0.03 5.45 3.41 -1.26 -5.05 113.62 121.71 1wx6 n SER 28 Ca -0.19 -1.83 -0.02 0.00 -0.26 0.00 0.00 58.87 56.58 1wx6 n SER 28 Cb 0.49 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.74 1wx6 n SER 28 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1wx6 n VAL 29 N -2.92 0.35 -3.13 -3.33 0.31 -1.26 -5.01 118.33 103.34 1wx6 n VAL 29 Ca 0.14 -0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 64.09 1wx6 n VAL 29 Cb 0.51 -0.57 0.04 0.00 -0.91 0.00 0.00 33.84 32.91 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 -2.13 0.00 0.01 2.52 5.66 -1.26 -5.05 114.28 114.03 1wx6 n THR 30 Ca -0.09 -1.31 -0.15 0.00 -3.05 0.00 0.00 64.05 59.45 1wx6 n THR 30 Cb 0.60 -0.61 -0.14 0.00 -1.55 0.00 0.00 70.33 68.63 1wx6 n THR 30 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1wx6 h GLU 31 N 0.00 0.15 -0.90 1.09 4.81 -1.99 -3.36 114.58 114.39 1wx6 h GLU 31 Ca -0.19 -0.26 0.25 0.00 -0.13 0.00 0.00 59.36 59.03 1wx6 h GLU 31 Cb 0.83 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.17 1wx6 h GLU 31 CO 0.27 0.91 0.32 0.93 -0.73 0.00 0.00 179.01 180.71 1wx6 h GLU 32 N 0.04 0.26 -6.87 1.92 3.07 -1.97 -3.40 114.58 107.63 1wx6 h GLU 32 Ca -0.31 -0.02 -0.50 0.00 -0.50 0.00 0.00 59.36 58.03 1wx6 h GLU 32 Cb 2.02 -0.06 0.02 0.00 -0.84 0.00 0.00 28.75 29.88 1wx6 h GLU 32 CO 0.10 0.17 0.11 -1.21 -1.40 0.00 0.00 179.01 176.78 1wx6 s GLU 33 N -5.88 3.68 0.24 2.33 2.02 -1.26 0.06 118.70 119.89 1wx6 s GLU 33 Ca -0.12 0.36 -0.10 0.00 0.02 0.00 0.00 54.97 55.13 1wx6 s GLU 33 Cb 0.26 -2.39 -0.07 0.00 0.10 0.00 0.00 34.13 32.03 1wx6 s GLU 33 CO 0.78 -0.10 0.57 -0.51 0.02 0.00 0.00 175.26 176.01 1wx6 s LEU 34 N -4.19 4.16 -0.20 1.80 1.43 -1.18 -4.60 118.68 115.90 1wx6 s LEU 34 Ca 0.50 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 1wx6 s LEU 34 Cb -0.10 -3.71 0.02 0.00 0.03 0.00 0.00 46.19 42.43 1wx6 s LEU 34 CO 0.37 -0.08 -0.16 0.20 0.23 0.00 0.00 176.35 176.91 1wx6 s ASN 35 N -2.34 3.54 0.21 2.29 0.02 -1.26 -4.15 114.94 113.25 1wx6 s ASN 35 Ca 0.48 -0.75 -0.00 0.00 -1.02 0.00 0.00 52.86 51.57 1wx6 s ASN 35 Cb -0.11 -1.53 0.00 0.00 0.02 0.00 0.00 41.25 39.63 1wx6 s ASN 35 CO 0.21 -0.04 0.27 2.22 0.02 0.00 0.00 177.10 179.78 1wx6 n PHE 36 N 4.62 -0.94 -4.50 2.20 -1.74 -1.17 -4.98 117.46 110.94 1wx6 n PHE 36 Ca -0.19 -1.45 -0.22 0.00 -0.56 0.00 0.00 57.45 55.03 1wx6 n PHE 36 Cb 0.49 0.30 -0.05 0.00 1.52 0.00 0.00 39.48 41.74 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 -0.35 1.07 -2.32 3.97 0.00 -1.26 -3.82 120.64 117.93 1wx6 n GLU 37 Ca 0.01 -2.56 -0.42 0.00 0.00 0.00 0.00 57.16 54.19 1wx6 n GLU 37 Cb 0.35 0.79 -0.03 0.00 0.00 0.00 0.00 31.44 32.55 1wx6 n GLU 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1wx6 s LYS 38 N -3.25 4.27 0.00 3.44 2.20 -1.26 -3.51 119.74 121.63 1wx6 s LYS 38 Ca 0.02 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 1wx6 s LYS 38 Cb 0.00 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 1wx6 s LYS 38 CO 0.02 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 1wx6 n GLY 39 N 3.63 0.57 3.49 5.54 0.00 0.27 -4.96 105.19 113.73 1wx6 n GLY 39 Ca 0.13 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.69 3.13 0.08 1.61 2.56 -1.23 -4.88 118.70 116.28 1wx6 s GLU 40 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 54.97 54.24 1wx6 s GLU 40 Cb 0.00 -2.65 -0.06 0.00 2.00 0.00 0.00 34.13 33.41 1wx6 s GLU 40 CO 0.00 0.42 0.46 0.99 -0.56 0.00 0.00 175.26 176.57 1wx6 s THR 41 N -0.17 4.98 0.32 -1.70 2.01 -1.26 -1.48 115.64 118.34 1wx6 s THR 41 Ca 0.01 0.71 -0.04 0.00 0.31 0.00 0.00 61.69 62.68 1wx6 s THR 41 Cb -0.13 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1wx6 s THR 41 CO 0.03 0.36 0.48 0.23 -0.69 0.00 0.00 174.62 175.03 1wx6 n MET 42 N 1.14 0.70 -4.04 4.92 2.81 -0.88 -4.72 117.12 117.04 1wx6 n MET 42 Ca -0.09 -2.39 -0.17 0.00 -1.81 0.00 0.00 57.70 53.24 1wx6 n MET 42 Cb 0.52 2.41 -0.16 0.00 -0.71 0.00 0.00 33.22 35.28 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 -2.59 0.45 -0.32 0.03 8.01 -1.26 -2.56 118.70 120.47 1wx6 s GLU 43 Ca 0.24 -0.03 -0.29 0.00 0.01 0.00 0.00 54.97 54.90 1wx6 s GLU 43 Cb -0.02 -0.54 0.01 0.00 -4.31 0.00 0.00 34.13 29.27 1wx6 s GLU 43 CO 0.17 -0.06 1.25 0.08 0.01 0.00 0.00 175.26 176.71 1wx6 s VAL 44 N 0.71 4.21 -0.10 2.63 1.01 -0.82 -2.88 120.40 125.16 1wx6 s VAL 44 Ca -0.08 1.36 0.15 0.00 0.00 0.00 0.00 61.98 63.41 1wx6 s VAL 44 Cb -0.11 -4.24 -0.17 0.00 0.00 0.00 0.00 36.38 31.86 1wx6 s VAL 44 CO -0.01 -0.53 0.76 2.30 0.00 0.00 0.00 175.10 177.63 1wx6 n ILE 45 N 6.22 1.32 -3.66 2.22 -5.35 -0.59 0.26 119.36 119.78 1wx6 n ILE 45 Ca 0.14 -0.73 -0.05 0.00 -0.27 0.00 0.00 62.75 61.85 1wx6 n ILE 45 Cb 0.47 -0.83 -0.02 0.00 -1.74 0.00 0.00 39.64 37.52 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 -2.82 1.03 -0.07 6.28 2.12 -1.16 -4.44 118.70 119.63 1wx6 s GLU 46 Ca -0.04 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.78 1wx6 s GLU 46 Cb 0.08 0.38 0.02 0.00 0.26 0.00 0.00 34.13 34.88 1wx6 s GLU 46 CO 0.82 -0.47 -0.05 0.15 -0.54 0.00 0.00 175.26 175.17 1wx6 s LYS 47 N -3.19 1.11 0.23 4.30 1.02 -1.26 -1.97 119.74 119.98 1wx6 s LYS 47 Ca 0.10 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 1wx6 s LYS 47 Cb -0.01 -1.18 -0.09 0.00 -0.52 0.00 0.00 37.83 36.03 1wx6 s LYS 47 CO -0.02 -0.18 1.28 -1.25 -0.92 0.00 0.00 175.35 174.27 1wx6 s PRO 48 N 1.38 4.41 -0.10 -1.68 0.04 -1.26 -4.98 135.00 132.82 1wx6 s PRO 48 Ca -0.03 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 1wx6 s PRO 48 Cb -0.13 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 1wx6 s PRO 48 CO -0.03 -0.19 0.14 1.49 0.04 0.00 0.00 177.00 178.46 1wx6 h GLU 49 N 4.89 -0.05 -0.49 4.56 4.57 -1.98 -3.26 114.58 122.81 1wx6 h GLU 49 Ca -0.46 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 57.79 1wx6 h GLU 49 Cb 1.22 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.73 1wx6 h GLU 49 CO 0.74 0.06 -0.52 -0.91 -1.18 0.00 0.00 179.01 177.19 1wx6 h ASN 50 N -1.01 -1.78 -3.68 1.04 4.21 -2.00 -3.18 115.58 109.18 1wx6 h ASN 50 Ca -0.01 0.25 -0.73 0.00 1.21 0.00 0.00 56.30 57.02 1wx6 h ASN 50 Cb 0.14 0.75 -0.33 0.00 -1.12 0.00 0.00 38.32 37.76 1wx6 h ASN 50 CO 0.01 -0.37 -0.05 -0.62 -1.29 0.00 0.00 177.43 175.11 1wx6 s ASP 51 N -5.12 6.13 0.35 5.81 2.15 -1.26 -4.88 116.67 119.86 1wx6 s ASP 51 Ca -0.14 -3.31 0.27 0.00 0.43 0.00 0.00 52.55 49.80 1wx6 s ASP 51 Cb 0.10 -1.99 1.12 0.00 -0.30 0.00 0.00 42.92 41.85 1wx6 s ASP 51 CO 0.63 -0.31 1.80 1.55 -0.17 0.00 0.00 175.17 178.67 1wx6 h PRO 52 N 6.67 0.00 0.00 4.34 0.13 -1.59 -2.70 132.00 138.86 1wx6 h PRO 52 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1wx6 h PRO 52 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1wx6 h PRO 52 CO 0.82 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.98 1wx6 n GLU 53 N -2.50 0.06 -4.58 0.86 1.02 -1.26 -4.67 120.64 109.56 1wx6 n GLU 53 Ca 0.02 0.22 -0.26 0.00 -0.02 0.00 0.00 57.16 57.12 1wx6 n GLU 53 Cb 0.25 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.89 1.89 0.07 -0.32 0.52 -1.02 -3.38 118.94 113.81 1wx6 s TRP 54 Ca 0.09 -0.39 0.09 0.00 0.02 0.00 0.00 56.10 55.91 1wx6 s TRP 54 Cb 0.10 -1.10 -0.03 0.00 -1.15 0.00 0.00 33.47 31.29 1wx6 s TRP 54 CO 0.25 0.13 -0.23 -1.58 0.02 0.00 0.00 176.95 175.54 1wx6 s TRP 55 N -0.89 2.03 -0.36 -1.98 0.51 0.56 -4.19 118.94 114.62 1wx6 s TRP 55 Ca 0.08 -0.39 -0.18 0.00 -2.12 0.00 0.00 56.10 53.49 1wx6 s TRP 55 Cb -0.09 -1.18 0.00 0.00 -0.81 0.00 0.00 33.47 31.38 1wx6 s TRP 55 CO 0.03 0.16 0.49 0.21 -0.51 0.00 0.00 176.95 177.32 1wx6 s LYS 56 N -1.44 3.52 0.24 4.98 2.20 -0.83 -0.35 119.74 128.06 1wx6 s LYS 56 Ca 0.10 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.43 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 -0.67 0.04 0.00 -0.36 0.00 0.00 175.35 174.38 1wx6 s LYS 58 N -3.93 3.03 0.78 0.00 2.20 -1.14 -2.67 119.74 118.01 1wx6 s LYS 58 Ca 0.32 -0.85 -0.09 0.00 -0.36 0.00 0.00 55.97 55.00 1wx6 s LYS 58 Cb 0.07 -2.45 0.10 0.00 -1.51 0.00 0.00 37.83 34.05 1wx6 s LYS 58 CO 0.11 -0.01 1.10 0.54 -0.36 0.00 0.00 175.35 176.72 1wx6 s ASN 59 N 0.81 4.34 0.31 1.43 6.03 -0.76 -4.03 114.94 123.07 1wx6 s ASN 59 Ca -0.07 0.34 0.18 0.00 -1.03 0.00 0.00 52.86 52.28 1wx6 s ASN 59 Cb -0.16 -0.80 0.97 0.00 -3.03 0.00 0.00 41.25 38.23 1wx6 s ASN 59 CO -0.02 -1.92 1.50 0.00 -2.03 0.00 0.00 177.10 174.63 1wx6 n ALA 60 N -3.15 0.89 1.98 3.54 0.00 -1.26 -0.18 120.51 122.32 1wx6 n ALA 60 Ca 0.11 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1wx6 n ALA 60 Cb 0.60 -1.11 0.69 0.00 0.00 0.00 0.00 19.45 19.63 1wx6 n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wx6 n ARG 61 N -2.15 1.02 -1.12 0.00 1.74 -1.26 -4.86 116.66 110.03 1wx6 n ARG 61 Ca -0.01 -0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 56.99 1wx6 n ARG 61 Cb 0.14 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 1wx6 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wx6 n GLY 62 N 0.88 0.58 3.80 -0.13 0.00 0.74 -4.99 105.19 106.08 1wx6 n GLY 62 Ca 0.18 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.81 2.94 0.14 1.61 -0.21 -1.25 -4.92 119.66 116.15 1wx6 s GLN 63 Ca 0.00 -0.79 0.10 0.00 0.02 0.00 0.00 55.36 54.69 1wx6 s GLN 63 Cb 0.00 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 1wx6 s GLN 63 CO 0.00 0.51 -0.21 0.14 -2.12 0.00 0.00 175.29 173.61 1wx6 s VAL 64 N -1.64 2.60 0.10 1.09 -7.23 -1.26 -1.83 120.40 112.23 1wx6 s VAL 64 Ca 0.31 -1.69 -0.12 0.00 -1.81 0.00 0.00 61.98 58.66 1wx6 s VAL 64 Cb -0.11 -2.20 0.04 0.00 0.56 0.00 0.00 36.38 34.68 1wx6 s VAL 64 CO 0.23 0.04 0.59 0.61 -0.31 0.00 0.00 175.10 176.27 1wx6 n GLY 65 N 0.67 0.89 3.54 2.32 0.00 -1.09 -4.85 105.19 106.66 1wx6 n GLY 65 Ca -0.15 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1wx6 n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wx6 s LEU 66 N 0.00 4.44 -0.07 0.99 1.43 0.11 -3.01 118.68 122.57 1wx6 s LEU 66 Ca 0.13 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1wx6 s LEU 66 Cb -0.02 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1wx6 s LEU 66 CO 0.03 -0.64 -0.09 0.54 0.23 0.00 0.00 176.35 176.42 1wx6 s VAL 67 N 2.63 3.49 -0.07 -1.59 0.11 0.52 -3.13 120.40 122.35 1wx6 s VAL 67 Ca 0.21 -0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 1wx6 s VAL 67 Cb -0.15 -2.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 1wx6 s VAL 67 CO 0.16 0.59 1.51 -2.16 -3.33 0.00 0.00 175.10 171.86 1wx6 s PRO 68 N -0.65 4.21 0.42 1.54 0.04 -1.26 -0.33 135.00 138.97 1wx6 s PRO 68 Ca 0.10 2.01 0.18 0.00 0.04 0.00 0.00 61.00 63.33 1wx6 s PRO 68 Cb -0.11 -3.85 0.92 0.00 0.04 0.00 0.00 34.50 31.50 1wx6 s PRO 68 CO 0.01 -0.76 1.88 1.57 0.04 0.00 0.00 177.00 179.75 1wx6 h LYS 69 N 8.86 0.00 0.00 4.56 2.10 -1.89 -2.13 116.57 128.06 1wx6 h LYS 69 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1wx6 h LYS 69 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1wx6 h LYS 69 CO 0.95 0.29 0.00 -0.91 -2.00 0.00 0.00 179.45 177.78 1wx6 h ASN 70 N 0.00 0.00 0.10 7.07 4.21 -1.91 -2.17 115.58 122.89 1wx6 h ASN 70 Ca -0.00 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.29 1wx6 h ASN 70 Cb 0.59 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.75 1wx6 h ASN 70 CO 0.04 0.00 -2.11 -1.22 -1.29 0.00 0.00 177.43 172.84 1wx6 n TYR 71 N -2.44 0.15 -3.43 1.19 4.02 -0.82 -4.99 117.16 110.84 1wx6 n TYR 71 Ca 0.00 0.05 -0.18 0.00 -0.01 0.00 0.00 57.90 57.76 1wx6 n TYR 71 Cb 0.16 -0.84 0.03 0.00 -0.02 0.00 0.00 39.34 38.66 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 -2.60 0.00 -3.64 -0.72 0.24 -0.82 -1.19 118.33 109.60 1wx6 n VAL 72 Ca -0.20 -1.65 -0.10 0.00 -2.04 0.00 0.00 64.34 60.36 1wx6 n VAL 72 Cb 0.91 -0.36 -0.07 0.00 -1.47 0.00 0.00 33.84 32.85 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 -2.04 -0.00 -0.08 3.34 -7.23 -0.46 -4.88 120.40 109.04 1wx6 s VAL 73 Ca 0.37 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.25 1wx6 s VAL 73 Cb -0.03 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1wx6 s VAL 73 CO 0.23 0.00 1.50 -0.69 -0.31 0.00 0.00 175.10 175.84 1wx6 s VAL 74 N 1.16 3.82 -0.16 1.32 1.01 -1.26 -1.08 120.40 125.21 1wx6 s VAL 74 Ca -0.06 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.81 1wx6 s VAL 74 Cb -0.05 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1wx6 s VAL 74 CO -0.12 -0.08 -0.14 0.18 0.00 0.00 0.00 175.10 174.94 1wx6 n LEU 75 N 6.78 1.84 -4.90 3.92 4.77 0.14 -4.97 117.00 124.58 1wx6 n LEU 75 Ca 0.16 0.56 -0.28 0.00 -0.03 0.00 0.00 56.01 56.42 1wx6 n LEU 75 Cb 0.43 -0.87 -0.01 0.00 -2.33 0.00 0.00 43.42 40.64 1wx6 n LEU 75 CO 0.60 -0.29 0.02 -0.44 -1.33 0.00 0.00 177.39 175.95 1wx6 s SER 76 N -6.00 4.55 -0.77 -1.43 0.01 -1.21 -5.04 113.70 103.81 1wx6 s SER 76 Ca -0.20 -1.35 -0.01 0.00 1.31 0.00 0.00 55.95 55.71 1wx6 s SER 76 Cb 0.03 0.57 0.37 0.00 0.21 0.00 0.00 66.02 67.20 1wx6 s SER 76 CO 0.31 -1.14 1.85 -0.67 0.41 0.00 0.00 173.24 174.01 1wx6 n ASP 77 N -1.75 6.99 0.00 2.44 2.03 -1.26 -4.08 116.55 120.93 1wx6 n ASP 77 Ca -0.05 -3.82 0.00 0.00 0.52 0.00 0.00 54.79 51.45 1wx6 n ASP 77 Cb 0.65 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 1wx6 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wx6 n GLY 78 N -0.53 -1.49 0.00 0.27 0.00 -1.01 -4.44 105.19 97.98 1wx6 n GLY 78 Ca 0.51 -2.08 0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 0.45 -2.46 1.61 -0.04 -1.26 -4.59 135.00 128.71 1wx6 n PRO 79 Ca 0.00 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.42 1wx6 n PRO 79 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.04 -0.97 -3.77 0.55 0.00 -1.26 -5.02 120.51 108.99 1wx6 n ALA 80 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 1wx6 n ALA 80 Cb 0.06 -1.71 -0.11 0.00 0.00 0.00 0.00 19.45 17.69 1wx6 n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wx6 s LEU 81 N -3.82 5.17 -0.64 0.00 2.96 -1.26 -5.02 118.68 116.07 1wx6 s LEU 81 Ca 0.06 -2.43 -0.14 0.00 -0.22 0.00 0.00 54.13 51.39 1wx6 s LEU 81 Cb -0.01 -1.82 -0.17 0.00 0.50 0.00 0.00 46.19 44.69 1wx6 s LEU 81 CO 0.30 -0.45 1.58 1.41 -1.32 0.00 0.00 176.35 177.87 1wx6 n HIS 82 N 4.03 0.22 -2.18 5.38 8.25 -1.26 -4.77 115.22 124.89 1wx6 n HIS 82 Ca 0.03 0.15 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 1wx6 n HIS 82 Cb 0.39 -1.04 -0.03 0.00 1.12 0.00 0.00 29.99 30.43 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 5.23 4.28 -0.05 -0.41 0.04 -1.26 -5.02 135.00 137.81 1wx6 s PRO 83 Ca 0.86 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.89 1wx6 s PRO 83 Cb -0.70 -3.54 0.02 0.00 0.04 0.00 0.00 34.50 30.32 1wx6 s PRO 83 CO 0.33 -0.58 0.12 0.00 0.04 0.00 0.00 177.00 176.91 1wx6 s ALA 84 N 2.29 -0.24 0.16 8.56 0.00 -1.26 -5.05 121.76 126.21 1wx6 s ALA 84 Ca 0.65 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 1wx6 s ALA 84 Cb -0.33 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1wx6 s ALA 84 CO 0.28 -0.09 1.82 0.45 0.00 0.00 0.00 175.76 178.21 1wx6 h HIS 85 N 6.52 0.53 -6.58 0.00 3.86 -2.04 -3.46 115.15 113.98 1wx6 h HIS 85 Ca -0.33 0.01 -0.52 0.00 -1.16 0.00 0.00 60.37 58.37 1wx6 h HIS 85 Cb 1.17 -0.18 -0.13 0.00 1.06 0.00 0.00 27.41 29.33 1wx6 h HIS 85 CO 0.42 0.34 -0.82 0.45 0.86 0.00 0.00 177.93 179.17 1wx6 n SER 86 N -4.79 -3.18 0.00 2.45 2.88 -1.26 -4.36 113.62 105.36 1wx6 n SER 86 Ca 0.01 -0.95 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 1wx6 n SER 86 Cb 0.02 -3.13 0.00 0.00 -0.75 0.00 0.00 64.21 60.36 1wx6 n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wx6 n GLY 87 N -1.57 0.78 0.21 0.46 0.00 -1.26 -5.02 105.19 98.78 1wx6 n GLY 87 Ca -0.00 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.47 1wx6 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx6 h PRO 88 N 0.00 0.00 -7.48 1.61 0.13 -1.99 -3.45 132.00 120.82 1wx6 h PRO 88 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1wx6 h PRO 88 Cb 0.00 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.24 1wx6 h PRO 88 CO 0.00 0.30 0.35 -1.54 -0.23 0.00 0.00 178.00 176.88 1wx6 s SER 89 N -6.41 4.41 -0.27 1.44 1.04 -1.26 -5.05 113.70 107.60 1wx6 s SER 89 Ca -0.01 1.10 -0.05 0.00 0.48 0.00 0.00 55.95 57.47 1wx6 s SER 89 Cb 0.12 -1.76 0.01 0.00 0.10 0.00 0.00 66.02 64.49 1wx6 s SER 89 CO 0.66 -2.00 0.02 -0.94 0.98 0.00 0.00 173.24 171.97 1wx6 s SER 90 N -4.13 4.79 0.00 7.02 1.04 -1.26 -5.18 113.70 115.98 1wx6 s SER 90 Ca 0.61 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1wx6 s SER 90 Cb -0.13 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.19 1wx6 s SER 90 CO 0.53 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.21