#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx6 s SER 2 N 0.00 6.47 0.12 1.61 0.01 -1.26 -5.04 113.70 115.62 1wx6 s SER 2 Ca 0.00 2.46 0.05 0.00 1.31 0.00 0.00 55.95 59.78 1wx6 s SER 2 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1wx6 s SER 2 CO 0.00 -0.72 0.03 -0.55 0.41 0.00 0.00 173.24 172.41 1wx6 s SER 3 N -0.97 5.09 0.23 2.44 0.15 -1.26 -5.13 113.70 114.25 1wx6 s SER 3 Ca 0.56 -0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 1wx6 s SER 3 Cb -0.34 -1.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.75 1wx6 s SER 3 CO 0.43 0.13 0.41 -0.83 1.20 0.00 0.00 173.24 174.58 1wx6 s GLY 4 N -2.62 0.62 -0.16 9.45 0.00 -1.26 -5.17 107.32 108.18 1wx6 s GLY 4 Ca 0.27 -0.96 -0.12 0.00 0.00 0.00 0.00 44.72 43.91 1wx6 s GLY 4 CO 0.20 -0.74 0.41 -0.45 0.00 0.00 0.00 173.10 172.51 1wx6 s SER 5 N -3.02 -0.46 -0.13 1.64 0.15 -1.26 -5.08 113.70 105.54 1wx6 s SER 5 Ca 0.23 0.85 -0.07 0.00 0.70 0.00 0.00 55.95 57.66 1wx6 s SER 5 Cb 0.01 0.81 -0.02 0.00 -1.71 0.00 0.00 66.02 65.11 1wx6 s SER 5 CO 0.08 -0.16 -0.13 0.28 1.20 0.00 0.00 173.24 174.50 1wx6 h SER 6 N 6.12 0.00 0.00 5.45 0.02 -2.09 -3.50 113.55 119.55 1wx6 h SER 6 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1wx6 h SER 6 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1wx6 h SER 6 CO 0.27 0.68 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 1wx6 n GLY 7 N 1.66 0.14 3.75 -3.77 0.00 -1.26 -5.14 105.19 100.57 1wx6 n GLY 7 Ca -0.05 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 4.57 0.06 0.99 1.02 -1.26 -5.05 118.68 119.01 1wx6 s LEU 8 Ca 0.00 2.04 0.00 0.00 0.02 0.00 0.00 54.13 56.20 1wx6 s LEU 8 Cb 0.00 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.56 1wx6 s LEU 8 CO 0.00 -0.03 -0.05 -0.44 0.02 0.00 0.00 176.35 175.85 1wx6 s SER 9 N -0.71 0.70 0.39 2.29 0.01 -1.26 -5.17 113.70 109.94 1wx6 s SER 9 Ca 0.44 -0.91 0.06 0.00 1.31 0.00 0.00 55.95 56.86 1wx6 s SER 9 Cb -0.28 0.14 -0.08 0.00 0.21 0.00 0.00 66.02 66.02 1wx6 s SER 9 CO 0.35 -0.49 0.02 0.20 0.41 0.00 0.00 173.24 173.73 1wx6 s ASN 10 N -2.68 3.48 -0.38 2.44 -0.87 -1.26 -5.12 114.94 110.55 1wx6 s ASN 10 Ca 0.04 -1.37 0.01 0.00 -1.57 0.00 0.00 52.86 49.98 1wx6 s ASN 10 Cb 0.04 -0.32 0.13 0.00 -0.02 0.00 0.00 41.25 41.08 1wx6 s ASN 10 CO -0.06 -0.48 0.21 -0.83 -2.57 0.00 0.00 177.10 173.36 1wx6 s GLY 11 N -3.65 1.22 0.16 0.66 0.00 -1.26 -5.12 107.32 99.33 1wx6 s GLY 11 Ca 0.35 -2.13 0.06 0.00 0.00 0.00 0.00 44.72 43.01 1wx6 s GLY 11 CO 0.17 1.80 0.05 1.20 0.00 0.00 0.00 173.10 176.33 1wx6 s GLN 12 N 0.86 2.61 -1.30 2.90 -1.52 -1.26 -5.04 119.66 116.90 1wx6 s GLN 12 Ca 0.17 -0.99 -0.11 0.00 -1.95 0.00 0.00 55.36 52.48 1wx6 s GLN 12 Cb -0.23 -2.48 0.14 0.00 -0.22 0.00 0.00 33.01 30.22 1wx6 s GLN 12 CO -0.03 0.47 1.89 0.41 -0.25 0.00 0.00 175.29 177.78 1wx6 n GLY 13 N -0.15 4.51 3.47 3.09 0.00 -1.26 -4.89 105.19 109.96 1wx6 n GLY 13 Ca -0.09 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 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 1.54 -0.56 0.35 1.61 1.04 -1.26 -5.06 113.70 111.34 1wx6 s SER 14 Ca 0.41 0.24 0.04 0.00 0.48 0.00 0.00 55.95 57.12 1wx6 s SER 14 Cb 0.09 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 1wx6 s SER 14 CO -0.01 -0.79 0.38 -2.11 0.98 0.00 0.00 173.24 171.69 1wx6 n ARG 15 N 0.09 0.55 -2.14 4.02 -4.01 -1.26 -5.09 116.66 108.82 1wx6 n ARG 15 Ca -0.16 -3.15 -0.38 0.00 -1.04 0.00 0.00 57.85 53.11 1wx6 n ARG 15 Cb 0.62 2.77 -0.03 0.00 -3.04 0.00 0.00 32.46 32.78 1wx6 n ARG 15 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1wx6 s VAL 16 N -3.13 3.43 -0.06 8.89 1.01 -1.26 -4.11 120.40 125.18 1wx6 s VAL 16 Ca 0.36 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.38 1wx6 s VAL 16 Cb 0.01 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1wx6 s VAL 16 CO 0.25 -1.10 0.52 -0.07 0.00 0.00 0.00 175.10 174.70 1wx6 h LEU 17 N 15.90 -0.29 -7.24 3.92 3.38 -0.77 -3.41 115.31 126.80 1wx6 h LEU 17 Ca -0.22 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1wx6 h LEU 17 Cb 1.13 0.08 -0.24 0.00 0.09 0.00 0.00 40.66 41.71 1wx6 h LEU 17 CO 1.23 0.19 -0.21 -1.00 0.09 0.00 0.00 178.44 178.75 1wx6 s HIS 18 N -2.88 -0.55 -0.20 1.13 3.76 -1.25 -2.82 115.29 112.48 1wx6 s HIS 18 Ca -0.07 1.28 -0.27 0.00 -0.15 0.00 0.00 55.06 55.84 1wx6 s HIS 18 Cb 0.00 0.22 -0.00 0.00 1.11 0.00 0.00 32.58 33.91 1wx6 s HIS 18 CO 0.23 -0.28 0.94 0.08 -0.85 0.00 0.00 174.74 174.86 1wx6 s VAL 19 N 0.63 4.78 0.22 -0.90 1.01 -1.00 -1.62 120.40 123.52 1wx6 s VAL 19 Ca -0.03 1.84 0.11 0.00 0.00 0.00 0.00 61.98 63.90 1wx6 s VAL 19 Cb -0.05 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1wx6 s VAL 19 CO -0.04 -0.08 -0.20 0.68 0.00 0.00 0.00 175.10 175.46 1wx6 s VAL 20 N 2.68 2.21 0.19 2.92 -7.23 -1.13 -0.91 120.40 119.12 1wx6 s VAL 20 Ca 0.41 -2.17 0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1wx6 s VAL 20 Cb -0.16 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1wx6 s VAL 20 CO 0.10 -0.32 -0.22 -1.58 -0.31 0.00 0.00 175.10 172.76 1wx6 s GLN 21 N -3.13 1.58 -0.29 4.82 0.74 -0.41 -1.66 119.66 121.32 1wx6 s GLN 21 Ca 0.23 -1.48 -0.15 0.00 0.05 0.00 0.00 55.36 54.01 1wx6 s GLN 21 Cb -0.05 -1.89 -0.03 0.00 1.10 0.00 0.00 33.01 32.13 1wx6 s GLN 21 CO 0.11 0.41 0.36 0.95 -0.55 0.00 0.00 175.29 176.57 1wx6 s THR 22 N -1.64 5.18 0.00 -0.34 -4.23 -0.22 -1.57 115.64 112.82 1wx6 s THR 22 Ca 0.21 0.44 -0.18 0.00 -1.18 0.00 0.00 61.69 60.97 1wx6 s THR 22 Cb -0.08 -3.72 -0.34 0.00 1.34 0.00 0.00 72.50 69.70 1wx6 s THR 22 CO 0.10 0.10 0.97 -0.07 -0.54 0.00 0.00 174.62 175.18 1wx6 h LEU 23 N 8.63 0.73 -8.77 4.79 3.38 -1.61 -1.08 115.31 121.38 1wx6 h LEU 23 Ca -0.31 -0.93 -0.68 0.00 0.09 0.00 0.00 57.88 56.05 1wx6 h LEU 23 Cb 1.16 -0.24 -0.25 0.00 0.09 0.00 0.00 40.66 41.42 1wx6 h LEU 23 CO 0.65 1.61 -0.87 -0.31 0.09 0.00 0.00 178.44 179.61 1wx6 s TYR 24 N -2.55 2.24 -0.01 1.13 1.51 -1.25 -4.54 117.35 113.88 1wx6 s TYR 24 Ca -0.11 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.25 1wx6 s TYR 24 Cb 0.03 -1.30 -0.06 0.00 -0.11 0.00 0.00 41.96 40.52 1wx6 s TYR 24 CO 0.91 0.19 1.46 -1.25 -1.11 0.00 0.00 175.55 175.74 1wx6 s PRO 25 N -1.49 4.25 -0.16 -1.71 0.04 -1.26 -4.60 135.00 130.07 1wx6 s PRO 25 Ca 0.12 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.17 1wx6 s PRO 25 Cb -0.10 -3.64 0.04 0.00 0.04 0.00 0.00 34.50 30.84 1wx6 s PRO 25 CO 0.03 -0.64 -0.02 0.12 0.04 0.00 0.00 177.00 176.53 1wx6 s PHE 26 N 2.72 1.43 -0.10 0.56 2.19 -1.22 -4.91 117.98 118.65 1wx6 s PHE 26 Ca 0.66 -0.93 0.03 0.00 0.33 0.00 0.00 56.93 57.02 1wx6 s PHE 26 Cb -0.32 -1.19 0.01 0.00 -1.31 0.00 0.00 43.02 40.21 1wx6 s PHE 26 CO 0.27 -0.58 -0.20 -1.54 1.83 0.00 0.00 175.22 175.00 1wx6 s SER 27 N 1.72 2.69 0.47 6.13 1.04 -1.26 -2.11 113.70 122.39 1wx6 s SER 27 Ca 0.01 -0.48 0.07 0.00 0.48 0.00 0.00 55.95 56.02 1wx6 s SER 27 Cb -0.15 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.74 1wx6 s SER 27 CO -0.07 0.10 0.39 -0.55 0.98 0.00 0.00 173.24 174.09 1wx6 s SER 28 N 0.54 4.85 -0.17 7.02 0.15 -1.25 -5.04 113.70 119.79 1wx6 s SER 28 Ca -0.15 -0.95 0.12 0.00 0.70 0.00 0.00 55.95 55.66 1wx6 s SER 28 Cb -0.17 -0.18 -0.19 0.00 -1.71 0.00 0.00 66.02 63.78 1wx6 s SER 28 CO 0.05 -0.84 0.00 0.52 1.20 0.00 0.00 173.24 174.18 1wx6 n VAL 29 N -1.63 1.13 -2.55 4.45 0.31 -1.26 -4.94 118.33 113.84 1wx6 n VAL 29 Ca 0.02 -0.64 -0.25 0.00 -0.01 0.00 0.00 64.34 63.47 1wx6 n VAL 29 Cb 0.63 -0.71 0.03 0.00 -0.91 0.00 0.00 33.84 32.88 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 -2.40 3.49 0.16 2.52 -1.32 -1.26 -5.01 115.64 111.83 1wx6 s THR 30 Ca -0.12 -0.22 0.07 0.00 -1.21 0.00 0.00 61.69 60.21 1wx6 s THR 30 Cb 0.05 -3.37 -0.16 0.00 -1.51 0.00 0.00 72.50 67.51 1wx6 s THR 30 CO 0.62 -0.34 1.36 1.05 -2.21 0.00 0.00 174.62 175.11 1wx6 h GLU 31 N -0.05 0.03 -0.55 7.08 4.11 -1.98 -3.30 114.58 119.91 1wx6 h GLU 31 Ca -0.45 -0.04 0.11 0.00 0.07 0.00 0.00 59.36 59.05 1wx6 h GLU 31 Cb 1.27 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.42 1wx6 h GLU 31 CO 0.59 0.91 -0.12 0.93 0.07 0.00 0.00 179.01 181.39 1wx6 h GLU 32 N 0.01 0.01 -6.94 1.06 5.08 -1.95 -3.41 114.58 108.44 1wx6 h GLU 32 Ca -0.02 -0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.86 1wx6 h GLU 32 Cb 1.60 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1wx6 h GLU 32 CO 0.12 0.01 0.20 -1.21 -1.00 0.00 0.00 179.01 177.13 1wx6 s GLU 33 N -6.22 3.89 0.47 2.33 2.02 -1.24 -0.01 118.70 119.93 1wx6 s GLU 33 Ca -0.14 0.68 -0.10 0.00 0.02 0.00 0.00 54.97 55.43 1wx6 s GLU 33 Cb 0.18 -2.31 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 1wx6 s GLU 33 CO 0.73 -0.08 0.84 -0.51 0.02 0.00 0.00 175.26 176.26 1wx6 s LEU 34 N -3.76 3.66 -0.14 1.80 1.43 -1.22 -4.64 118.68 115.82 1wx6 s LEU 34 Ca 0.55 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1wx6 s LEU 34 Cb -0.10 -4.11 0.02 0.00 0.03 0.00 0.00 46.19 42.03 1wx6 s LEU 34 CO 0.28 -0.54 -0.15 0.20 0.23 0.00 0.00 176.35 176.37 1wx6 s ASN 35 N -3.56 2.66 0.25 2.29 0.02 -1.26 -3.94 114.94 111.40 1wx6 s ASN 35 Ca 0.52 -0.48 -0.05 0.00 -1.02 0.00 0.00 52.86 51.82 1wx6 s ASN 35 Cb -0.10 -1.18 0.02 0.00 0.02 0.00 0.00 41.25 40.01 1wx6 s ASN 35 CO 0.38 -0.03 0.43 2.22 0.02 0.00 0.00 177.10 180.12 1wx6 n PHE 36 N 4.60 -1.49 -4.32 2.20 -1.74 -0.90 -4.93 117.46 110.88 1wx6 n PHE 36 Ca -0.18 -1.45 -0.15 0.00 -0.56 0.00 0.00 57.45 55.11 1wx6 n PHE 36 Cb 0.50 0.49 -0.04 0.00 1.52 0.00 0.00 39.48 41.96 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 -0.38 0.94 -2.24 3.97 -0.58 -1.26 -3.39 120.64 117.69 1wx6 n GLU 37 Ca -0.02 -1.95 -0.42 0.00 -0.42 0.00 0.00 57.16 54.35 1wx6 n GLU 37 Cb 0.40 0.87 -0.03 0.00 -0.57 0.00 0.00 31.44 32.12 1wx6 n GLU 37 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1wx6 s LYS 38 N -2.91 4.24 0.00 3.49 2.20 -1.26 -3.44 119.74 122.06 1wx6 s LYS 38 Ca 0.08 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.60 1wx6 s LYS 38 Cb 0.00 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1wx6 s LYS 38 CO 0.05 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 1wx6 n GLY 39 N 3.77 0.64 3.49 5.54 0.00 -0.41 -4.96 105.19 113.26 1wx6 n GLY 39 Ca 0.15 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.83 2.91 -0.17 1.61 2.56 -1.22 -4.90 118.70 116.65 1wx6 s GLU 40 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 54.97 54.24 1wx6 s GLU 40 Cb 0.00 -2.57 -0.05 0.00 2.00 0.00 0.00 34.13 33.52 1wx6 s GLU 40 CO 0.00 0.51 0.17 0.99 -0.56 0.00 0.00 175.26 176.37 1wx6 s THR 41 N -0.40 5.40 0.22 -1.70 2.01 -1.26 -1.06 115.64 118.84 1wx6 s THR 41 Ca 0.05 0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.36 1wx6 s THR 41 Cb -0.12 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 1wx6 s THR 41 CO 0.02 0.46 0.11 0.23 -0.69 0.00 0.00 174.62 174.75 1wx6 n MET 42 N 3.24 0.57 -3.73 4.92 0.00 -0.67 -4.73 117.12 116.73 1wx6 n MET 42 Ca -0.16 -1.96 -0.16 0.00 0.00 0.00 0.00 57.70 55.42 1wx6 n MET 42 Cb 0.52 1.23 -0.16 0.00 0.00 0.00 0.00 33.22 34.81 1wx6 n MET 42 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1wx6 s GLU 43 N -2.86 -0.03 -0.31 0.03 8.01 -1.26 -2.85 118.70 119.44 1wx6 s GLU 43 Ca 0.15 0.29 -0.29 0.00 0.01 0.00 0.00 54.97 55.14 1wx6 s GLU 43 Cb 0.01 -0.31 -0.02 0.00 -4.31 0.00 0.00 34.13 29.50 1wx6 s GLU 43 CO 0.11 -0.22 1.69 0.08 0.01 0.00 0.00 175.26 176.93 1wx6 s VAL 44 N 1.48 3.60 -0.13 2.63 1.01 -0.64 -3.15 120.40 125.19 1wx6 s VAL 44 Ca -0.04 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1wx6 s VAL 44 Cb -0.12 -3.74 -0.24 0.00 0.00 0.00 0.00 36.38 32.28 1wx6 s VAL 44 CO -0.04 -0.43 0.31 2.30 0.00 0.00 0.00 175.10 177.25 1wx6 n ILE 45 N 7.09 1.66 -3.51 2.22 -5.35 -0.55 -0.04 119.36 120.88 1wx6 n ILE 45 Ca 0.21 -0.69 -0.15 0.00 -0.27 0.00 0.00 62.75 61.84 1wx6 n ILE 45 Cb 0.46 -1.40 -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 -2.56 1.10 -0.15 6.28 2.12 -1.09 -4.13 118.70 120.27 1wx6 s GLU 46 Ca -0.19 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1wx6 s GLU 46 Cb 0.07 0.51 0.02 0.00 0.26 0.00 0.00 34.13 35.00 1wx6 s GLU 46 CO 0.76 -0.40 -0.13 0.15 -0.54 0.00 0.00 175.26 175.10 1wx6 s LYS 47 N -2.13 2.22 0.29 4.30 1.02 -1.26 -0.92 119.74 123.26 1wx6 s LYS 47 Ca -0.07 -0.55 -0.29 0.00 0.02 0.00 0.00 55.97 55.08 1wx6 s LYS 47 Cb -0.01 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 35.13 1wx6 s LYS 47 CO 0.01 -0.25 1.24 -1.25 -0.92 0.00 0.00 175.35 174.18 1wx6 s PRO 48 N 1.50 4.45 -0.11 -1.68 0.04 -1.26 -4.98 135.00 132.96 1wx6 s PRO 48 Ca 0.05 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.04 1wx6 s PRO 48 Cb -0.13 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.19 1wx6 s PRO 48 CO -0.10 -0.07 0.29 1.49 0.04 0.00 0.00 177.00 178.65 1wx6 h GLU 49 N 3.84 -0.02 -0.59 4.56 4.57 -1.98 -3.31 114.58 121.65 1wx6 h GLU 49 Ca -0.48 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 57.82 1wx6 h GLU 49 Cb 1.22 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.70 1wx6 h GLU 49 CO 0.68 0.31 -0.23 -0.91 -1.18 0.00 0.00 179.01 177.68 1wx6 h ASN 50 N -1.00 -0.81 -3.65 1.04 2.35 -2.00 -3.14 115.58 108.38 1wx6 h ASN 50 Ca -0.00 0.20 -0.74 0.00 -0.55 0.00 0.00 56.30 55.21 1wx6 h ASN 50 Cb 0.34 0.46 -0.32 0.00 0.05 0.00 0.00 38.32 38.85 1wx6 h ASN 50 CO 0.00 -0.25 -0.01 -1.81 -1.65 0.00 0.00 177.43 173.71 1wx6 s ASP 51 N -5.19 6.23 0.47 5.81 1.01 -1.26 -4.88 116.67 118.86 1wx6 s ASP 51 Ca -0.14 -3.34 0.26 0.00 0.71 0.00 0.00 52.55 50.03 1wx6 s ASP 51 Cb 0.18 -2.01 1.10 0.00 1.01 0.00 0.00 42.92 43.20 1wx6 s ASP 51 CO 0.72 -0.31 1.90 1.55 0.21 0.00 0.00 175.17 179.24 1wx6 h PRO 52 N 6.65 0.00 0.00 8.23 0.13 -1.63 -2.57 132.00 142.81 1wx6 h PRO 52 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1wx6 h PRO 52 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1wx6 h PRO 52 CO 0.84 0.18 0.00 0.39 -0.23 0.00 0.00 178.00 179.18 1wx6 n GLU 53 N -3.41 0.08 -4.61 0.86 1.02 -1.26 -4.71 120.64 108.61 1wx6 n GLU 53 Ca -0.00 0.26 -0.30 0.00 -0.02 0.00 0.00 57.16 57.10 1wx6 n GLU 53 Cb 0.37 -1.64 -0.13 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 -3.10 2.43 0.11 -0.32 0.52 -0.97 -3.02 118.94 114.59 1wx6 s TRP 54 Ca 0.07 -0.33 0.08 0.00 0.02 0.00 0.00 56.10 55.95 1wx6 s TRP 54 Cb 0.11 -1.38 -0.04 0.00 -1.15 0.00 0.00 33.47 31.02 1wx6 s TRP 54 CO 0.37 0.26 -0.19 -1.58 0.02 0.00 0.00 176.95 175.82 1wx6 s TRP 55 N -0.96 1.72 -0.36 -1.98 0.51 0.65 -4.30 118.94 114.21 1wx6 s TRP 55 Ca 0.14 -0.44 -0.15 0.00 -2.12 0.00 0.00 56.10 53.53 1wx6 s TRP 55 Cb -0.10 -0.93 -0.00 0.00 -0.81 0.00 0.00 33.47 31.63 1wx6 s TRP 55 CO 0.05 0.21 0.35 0.21 -0.51 0.00 0.00 176.95 177.26 1wx6 s LYS 56 N -2.07 3.41 0.25 4.98 2.20 -0.09 -0.29 119.74 128.13 1wx6 s LYS 56 Ca 0.07 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 55.13 1wx6 s LYS 56 Cb -0.09 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 1wx6 s LYS 56 CO 0.04 -0.59 0.07 0.00 -0.36 0.00 0.00 175.35 174.51 1wx6 s LYS 58 N -3.98 2.65 0.58 0.00 2.20 -1.19 -2.69 119.74 117.31 1wx6 s LYS 58 Ca 0.35 -0.71 -0.10 0.00 -0.36 0.00 0.00 55.97 55.15 1wx6 s LYS 58 Cb 0.08 -2.24 0.13 0.00 -1.51 0.00 0.00 37.83 34.29 1wx6 s LYS 58 CO 0.12 -0.10 0.77 0.27 -0.36 0.00 0.00 175.35 176.05 1wx6 n ASN 59 N 4.34 -0.04 -0.00 1.43 0.23 -0.85 -4.00 115.26 116.37 1wx6 n ASN 59 Ca -0.19 -1.26 0.03 0.00 -0.53 0.00 0.00 54.58 52.63 1wx6 n ASN 59 Cb 0.51 -0.59 0.40 0.00 -2.08 0.00 0.00 39.78 38.01 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 -1.91 1.64 0.00 -2.53 0.00 -1.91 -0.29 119.26 114.26 1wx6 h ALA 60 Ca -0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1wx6 h ALA 60 Cb 0.69 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wx6 h ALA 60 CO 0.18 0.30 0.00 0.54 0.00 0.00 0.00 179.25 180.27 1wx6 n ARG 61 N -4.44 0.15 -1.09 0.00 1.74 -1.26 -4.81 116.66 106.96 1wx6 n ARG 61 Ca 0.03 0.18 -0.03 0.00 -0.77 0.00 0.00 57.85 57.26 1wx6 n ARG 61 Cb 0.09 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 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 -0.43 0.62 3.88 -0.13 0.00 -0.12 -5.02 105.19 103.99 1wx6 n GLY 62 Ca 0.05 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.73 3.54 0.04 1.61 -1.52 -1.26 -4.86 119.66 115.47 1wx6 s GLN 63 Ca 0.00 -0.07 0.03 0.00 -1.95 0.00 0.00 55.36 53.37 1wx6 s GLN 63 Cb 0.00 -3.15 -0.04 0.00 -0.22 0.00 0.00 33.01 29.60 1wx6 s GLN 63 CO 0.00 0.72 0.00 0.14 -0.25 0.00 0.00 175.29 175.90 1wx6 s VAL 64 N -1.15 4.09 0.10 1.09 -7.23 -1.26 -2.00 120.40 114.04 1wx6 s VAL 64 Ca 0.21 -0.78 -0.10 0.00 -1.81 0.00 0.00 61.98 59.51 1wx6 s VAL 64 Cb -0.13 -2.88 0.04 0.00 0.56 0.00 0.00 36.38 33.97 1wx6 s VAL 64 CO 0.11 0.26 0.48 0.61 -0.31 0.00 0.00 175.10 176.25 1wx6 n GLY 65 N 1.02 1.05 3.51 2.32 0.00 -1.10 -4.85 105.19 107.15 1wx6 n GLY 65 Ca -0.13 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 4.55 -0.08 0.99 1.43 0.98 -3.10 118.68 123.45 1wx6 s LEU 66 Ca 0.10 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1wx6 s LEU 66 Cb -0.02 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1wx6 s LEU 66 CO 0.03 -0.74 -0.09 0.54 0.23 0.00 0.00 176.35 176.32 1wx6 s VAL 67 N 2.71 3.52 -0.05 -1.59 0.11 0.60 -3.37 120.40 122.34 1wx6 s VAL 67 Ca 0.21 -0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 58.42 1wx6 s VAL 67 Cb -0.15 -2.44 -0.05 0.00 -1.53 0.00 0.00 36.38 32.22 1wx6 s VAL 67 CO 0.18 0.58 1.49 -2.16 -3.33 0.00 0.00 175.10 171.86 1wx6 s PRO 68 N -0.58 4.22 0.30 1.54 0.04 -1.26 -0.25 135.00 139.01 1wx6 s PRO 68 Ca 0.09 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.15 1wx6 s PRO 68 Cb -0.12 -3.79 0.46 0.00 0.04 0.00 0.00 34.50 31.10 1wx6 s PRO 68 CO 0.02 -0.72 1.80 1.57 0.04 0.00 0.00 177.00 179.70 1wx6 h LYS 69 N 8.64 0.61 0.00 4.56 2.10 -1.88 -1.91 116.57 128.69 1wx6 h LYS 69 Ca -0.36 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1wx6 h LYS 69 Cb 1.16 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1wx6 h LYS 69 CO 0.94 0.67 0.00 0.09 -2.00 0.00 0.00 179.45 179.15 1wx6 n ASN 70 N -4.22 0.01 -0.05 7.07 3.02 -1.26 -0.80 115.26 119.02 1wx6 n ASN 70 Ca 0.01 0.51 -0.01 0.00 -0.03 0.00 0.00 54.58 55.06 1wx6 n ASN 70 Cb 0.30 -0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.51 0.00 -3.54 3.10 4.02 -0.73 -5.01 117.16 113.49 1wx6 n TYR 71 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.70 1wx6 n TYR 71 Cb 0.00 -0.68 0.02 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 -2.44 0.00 -3.66 -0.72 0.24 0.02 -1.51 118.33 110.25 1wx6 n VAL 72 Ca -0.18 -1.66 -0.14 0.00 -2.04 0.00 0.00 64.34 60.32 1wx6 n VAL 72 Cb 0.83 -0.29 -0.08 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.06 0.00 -0.19 3.34 -7.23 -0.61 -4.90 120.40 108.76 1wx6 s VAL 73 Ca 0.33 -0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.19 1wx6 s VAL 73 Cb -0.03 -0.83 -0.00 0.00 0.56 0.00 0.00 36.38 36.08 1wx6 s VAL 73 CO 0.21 -0.01 1.10 -0.69 -0.31 0.00 0.00 175.10 175.40 1wx6 s VAL 74 N 0.15 4.57 -0.15 1.32 1.01 -1.26 -1.29 120.40 124.75 1wx6 s VAL 74 Ca -0.01 1.89 -0.12 0.00 0.00 0.00 0.00 61.98 63.74 1wx6 s VAL 74 Cb -0.04 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1wx6 s VAL 74 CO 0.02 -0.14 -0.23 0.18 0.00 0.00 0.00 175.10 174.93 1wx6 n LEU 75 N 6.20 1.81 -4.29 3.92 4.77 -0.08 -4.99 117.00 124.33 1wx6 n LEU 75 Ca 0.12 0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 56.48 1wx6 n LEU 75 Cb 0.46 -0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 1wx6 n LEU 75 CO 0.53 -0.42 -0.38 -0.55 -1.33 0.00 0.00 177.39 175.24 1wx6 s SER 76 N -5.75 1.89 -0.38 -1.43 0.15 -1.21 -5.04 113.70 101.93 1wx6 s SER 76 Ca -0.19 -1.09 -0.06 0.00 0.70 0.00 0.00 55.95 55.31 1wx6 s SER 76 Cb 0.03 -0.02 0.07 0.00 -1.71 0.00 0.00 66.02 64.39 1wx6 s SER 76 CO 0.28 -0.38 0.18 -1.81 1.20 0.00 0.00 173.24 172.70 1wx6 s ASP 77 N -3.23 5.39 0.00 5.45 1.11 -1.26 -2.37 116.67 121.75 1wx6 s ASP 77 Ca 0.21 -1.49 0.00 0.00 0.18 0.00 0.00 52.55 51.46 1wx6 s ASP 77 Cb 0.03 -1.89 0.00 0.00 1.07 0.00 0.00 42.92 42.13 1wx6 s ASP 77 CO 0.04 -0.45 0.00 0.61 1.18 0.00 0.00 175.17 176.55 1wx6 n GLY 78 N 4.79 0.59 3.56 0.21 0.00 -1.13 -4.45 105.19 108.76 1wx6 n GLY 78 Ca -0.09 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 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 -4.43 2.53 -1.41 1.61 0.04 -1.26 -3.85 135.00 128.23 1wx6 s PRO 79 Ca 0.00 -0.51 -0.04 0.00 0.04 0.00 0.00 61.00 60.49 1wx6 s PRO 79 Cb 0.00 -5.11 0.03 0.00 0.04 0.00 0.00 34.50 29.46 1wx6 s PRO 79 CO 0.00 -3.54 0.67 0.00 0.04 0.00 0.00 177.00 174.17 1wx6 n ALA 80 N 14.12 -1.82 -0.10 8.56 0.00 -1.26 -4.90 120.51 135.11 1wx6 n ALA 80 Ca 0.41 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.52 1wx6 n ALA 80 Cb 0.47 -2.39 -0.12 0.00 0.00 0.00 0.00 19.45 17.41 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 -4.40 2.57 -4.84 0.00 7.94 -1.25 -4.95 117.00 112.07 1wx6 n LEU 81 Ca -0.21 0.09 -0.36 0.00 -1.11 0.00 0.00 56.01 54.42 1wx6 n LEU 81 Cb 0.64 -0.94 -0.06 0.00 0.53 0.00 0.00 43.42 43.59 1wx6 n LEU 81 CO 0.73 0.78 0.20 -1.00 -1.11 0.00 0.00 177.39 176.99 1wx6 s HIS 82 N -2.51 3.64 -0.63 1.96 3.76 -1.26 -5.01 115.29 115.24 1wx6 s HIS 82 Ca -0.33 1.04 -0.26 0.00 -0.15 0.00 0.00 55.06 55.36 1wx6 s HIS 82 Cb 0.10 -2.35 -0.02 0.00 1.11 0.00 0.00 32.58 31.42 1wx6 s HIS 82 CO 0.61 0.48 1.87 -1.25 -0.85 0.00 0.00 174.74 175.60 1wx6 s PRO 83 N -1.77 2.62 -0.29 8.40 0.04 -1.26 -4.91 135.00 137.83 1wx6 s PRO 83 Ca 0.35 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.80 1wx6 s PRO 83 Cb -0.16 -4.44 0.11 0.00 0.04 0.00 0.00 34.50 30.06 1wx6 s PRO 83 CO 0.18 -2.78 0.69 0.00 0.04 0.00 0.00 177.00 175.14 1wx6 s ALA 84 N 9.16 -2.01 0.27 8.56 0.00 -1.26 -5.17 121.76 131.30 1wx6 s ALA 84 Ca 0.67 2.37 -0.07 0.00 0.00 0.00 0.00 51.96 54.93 1wx6 s ALA 84 Cb -0.12 -1.64 -0.06 0.00 0.00 0.00 0.00 23.12 21.30 1wx6 s ALA 84 CO 0.19 -0.67 0.56 -1.58 0.00 0.00 0.00 175.76 174.26 1wx6 s HIS 85 N 2.29 3.46 0.14 0.00 2.46 -1.26 -4.98 115.29 117.39 1wx6 s HIS 85 Ca -0.08 0.76 -0.18 0.00 0.47 0.00 0.00 55.06 56.03 1wx6 s HIS 85 Cb -0.08 -2.19 0.06 0.00 -0.13 0.00 0.00 32.58 30.24 1wx6 s HIS 85 CO -0.19 0.20 1.13 0.43 -2.47 0.00 0.00 174.74 173.84 1wx6 n SER 86 N -0.61 -0.63 0.00 9.88 7.64 -1.26 -4.88 113.62 123.76 1wx6 n SER 86 Ca -0.01 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1wx6 n SER 86 Cb 0.53 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1wx6 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wx6 n GLY 87 N -1.26 2.38 0.00 0.23 0.00 -1.26 -4.90 105.19 100.38 1wx6 n GLY 87 Ca 0.04 -1.48 0.06 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.55 0.49 -1.20 1.61 -0.04 -1.26 -4.88 135.00 128.16 1wx6 n PRO 88 Ca 0.00 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 1wx6 n PRO 88 Cb 0.00 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1wx6 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wx6 n SER 89 N -0.86 -0.18 -4.77 3.54 2.88 -1.26 -4.81 113.62 108.17 1wx6 n SER 89 Ca 0.09 0.94 -0.41 0.00 -1.33 0.00 0.00 58.87 58.15 1wx6 n SER 89 Cb 0.04 -0.75 -0.02 0.00 -0.75 0.00 0.00 64.21 62.73 1wx6 n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wx6 s SER 90 N -0.13 6.68 0.00 -3.46 0.01 -1.26 -5.20 113.70 110.33 1wx6 s SER 90 Ca 0.70 2.75 0.20 0.00 1.31 0.00 0.00 55.95 60.90 1wx6 s SER 90 Cb -0.98 -2.65 0.16 0.00 0.21 0.00 0.00 66.02 62.75 1wx6 s SER 90 CO 0.46 -0.62 1.12 0.61 0.41 0.00 0.00 173.24 175.22