#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx6 n SER 2 N 0.00 0.38 -4.56 1.61 7.64 -1.26 -4.95 113.62 112.48 1wx6 n SER 2 Ca 0.00 0.10 -0.24 0.00 1.01 0.00 0.00 58.87 59.75 1wx6 n SER 2 Cb 0.00 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 1wx6 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wx6 s SER 3 N -5.35 4.85 0.00 6.43 0.01 -1.26 -4.73 113.70 113.65 1wx6 s SER 3 Ca 0.00 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1wx6 s SER 3 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1wx6 s SER 3 CO 0.00 -3.03 0.00 0.61 0.41 0.00 0.00 173.24 171.23 1wx6 n GLY 4 N 6.81 -2.78 2.91 3.44 0.00 -1.26 -5.02 105.19 109.29 1wx6 n GLY 4 Ca 0.42 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 1wx6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx6 s SER 5 N -2.29 -0.02 -0.75 1.61 0.01 -1.26 -4.95 113.70 106.05 1wx6 s SER 5 Ca 0.00 0.03 -0.26 0.00 1.31 0.00 0.00 55.95 57.03 1wx6 s SER 5 Cb 0.00 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 1wx6 s SER 5 CO 0.00 -0.03 1.84 -0.44 0.41 0.00 0.00 173.24 175.02 1wx6 s SER 6 N -0.09 5.33 -0.21 2.44 0.01 -1.26 -4.96 113.70 114.97 1wx6 s SER 6 Ca -0.01 -0.19 -0.11 0.00 1.31 0.00 0.00 55.95 56.95 1wx6 s SER 6 Cb -0.01 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 1wx6 s SER 6 CO 0.00 -2.45 0.18 -0.83 0.41 0.00 0.00 173.24 170.55 1wx6 s GLY 7 N 7.68 2.05 0.00 3.44 0.00 -1.26 -4.92 107.32 114.31 1wx6 s GLY 7 Ca 0.65 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1wx6 s GLY 7 CO 0.10 0.32 0.00 1.04 0.00 0.00 0.00 173.10 174.56 1wx6 n LEU 8 N 3.86 0.46 -4.95 0.66 4.32 -1.26 -5.10 117.00 114.98 1wx6 n LEU 8 Ca -0.15 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.58 1wx6 n LEU 8 Cb 0.52 0.00 0.13 0.00 -1.62 0.00 0.00 43.42 42.45 1wx6 n LEU 8 CO 0.37 -0.11 0.69 -0.44 -1.22 0.00 0.00 177.39 176.68 1wx6 s SER 9 N -4.45 3.98 0.21 -1.43 0.01 -1.26 -4.94 113.70 105.82 1wx6 s SER 9 Ca 0.00 0.06 -0.11 0.00 1.31 0.00 0.00 55.95 57.21 1wx6 s SER 9 Cb 0.00 -0.37 0.27 0.00 0.21 0.00 0.00 66.02 66.13 1wx6 s SER 9 CO 0.00 -2.14 1.27 0.59 0.41 0.00 0.00 173.24 173.38 1wx6 n ASN 10 N -3.21 -0.44 0.00 2.44 3.02 -1.26 -4.81 115.26 111.01 1wx6 n ASN 10 Ca 0.13 1.42 0.00 0.00 -0.03 0.00 0.00 54.58 56.11 1wx6 n ASN 10 Cb 0.60 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1wx6 n ASN 10 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wx6 n GLY 11 N -1.44 2.67 3.55 7.41 0.00 -1.26 -4.96 105.19 111.16 1wx6 n GLY 11 Ca 0.10 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 3.13 0.00 1.61 2.00 -1.26 -4.33 119.66 120.81 1wx6 s GLN 12 Ca 0.00 -0.27 0.00 0.00 -2.00 0.00 0.00 55.36 53.09 1wx6 s GLN 12 Cb 0.00 -4.51 0.00 0.00 0.80 0.00 0.00 33.01 29.30 1wx6 s GLN 12 CO 0.00 -2.34 0.00 0.41 -0.50 0.00 0.00 175.29 172.86 1wx6 n GLY 13 N 5.84 -0.08 3.56 2.59 0.00 -1.26 -5.05 105.19 110.79 1wx6 n GLY 13 Ca 0.15 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 1wx6 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wx6 s SER 14 N -4.00 4.20 0.35 1.61 0.01 -1.26 -4.90 113.70 109.71 1wx6 s SER 14 Ca 0.00 -0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.09 1wx6 s SER 14 Cb 0.00 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.72 1wx6 s SER 14 CO 0.00 -3.63 0.41 0.54 0.41 0.00 0.00 173.24 170.96 1wx6 n ARG 15 N 8.79 0.84 -2.40 12.44 5.12 -1.26 -4.94 116.66 135.25 1wx6 n ARG 15 Ca 0.45 -2.00 -0.43 0.00 -1.93 0.00 0.00 57.85 53.94 1wx6 n ARG 15 Cb 0.44 -0.01 -0.02 0.00 -1.16 0.00 0.00 32.46 31.71 1wx6 n ARG 15 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1wx6 s VAL 16 N -1.39 4.22 -0.15 1.55 1.01 -1.26 -4.21 120.40 120.16 1wx6 s VAL 16 Ca 0.31 1.46 -0.13 0.00 0.00 0.00 0.00 61.98 63.62 1wx6 s VAL 16 Cb -0.02 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1wx6 s VAL 16 CO 0.20 -0.18 -0.24 0.18 0.00 0.00 0.00 175.10 175.05 1wx6 n LEU 17 N 6.81 1.79 -3.73 3.92 4.77 -0.07 -4.69 117.00 125.81 1wx6 n LEU 17 Ca 0.14 0.49 -0.12 0.00 -0.03 0.00 0.00 56.01 56.49 1wx6 n LEU 17 Cb 0.45 -0.80 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 1wx6 n LEU 17 CO 0.57 -0.39 0.04 -1.00 -1.33 0.00 0.00 177.39 175.29 1wx6 s HIS 18 N -2.48 -0.46 -0.18 -1.77 3.76 -1.26 -2.80 115.29 110.11 1wx6 s HIS 18 Ca -0.20 1.08 -0.28 0.00 -0.15 0.00 0.00 55.06 55.51 1wx6 s HIS 18 Cb 0.03 0.17 -0.00 0.00 1.11 0.00 0.00 32.58 33.88 1wx6 s HIS 18 CO 0.30 -0.24 0.97 0.08 -0.85 0.00 0.00 174.74 175.00 1wx6 s VAL 19 N 0.56 4.77 0.17 -0.90 1.01 -1.05 -2.05 120.40 122.91 1wx6 s VAL 19 Ca -0.03 1.91 0.10 0.00 0.00 0.00 0.00 61.98 63.96 1wx6 s VAL 19 Cb -0.05 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1wx6 s VAL 19 CO -0.03 -0.07 -0.21 0.68 0.00 0.00 0.00 175.10 175.47 1wx6 s VAL 20 N 2.56 2.04 0.34 2.92 -7.23 -1.09 -0.88 120.40 119.06 1wx6 s VAL 20 Ca 0.43 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.76 1wx6 s VAL 20 Cb -0.16 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 1wx6 s VAL 20 CO 0.11 -0.21 0.05 -1.58 -0.31 0.00 0.00 175.10 173.17 1wx6 s GLN 21 N -2.66 2.16 -0.30 4.82 0.74 -0.58 -1.47 119.66 122.36 1wx6 s GLN 21 Ca 0.17 -1.70 -0.08 0.00 0.05 0.00 0.00 55.36 53.80 1wx6 s GLN 21 Cb -0.07 -2.00 0.00 0.00 1.10 0.00 0.00 33.01 32.04 1wx6 s GLN 21 CO 0.08 0.12 0.12 0.95 -0.55 0.00 0.00 175.29 176.01 1wx6 s THR 22 N -2.49 4.30 0.05 -0.34 -4.23 0.14 -1.98 115.64 111.09 1wx6 s THR 22 Ca 0.36 -0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 60.20 1wx6 s THR 22 Cb -0.01 -3.21 -0.32 0.00 1.34 0.00 0.00 72.50 70.30 1wx6 s THR 22 CO 0.20 0.07 1.07 -0.07 -0.54 0.00 0.00 174.62 175.35 1wx6 h LEU 23 N 8.30 0.66 -8.53 4.79 3.38 -1.61 -0.34 115.31 121.95 1wx6 h LEU 23 Ca -0.32 -0.69 -0.40 0.00 0.09 0.00 0.00 57.88 56.56 1wx6 h LEU 23 Cb 1.14 -0.21 -0.19 0.00 0.09 0.00 0.00 40.66 41.48 1wx6 h LEU 23 CO 0.61 1.54 -0.76 -0.31 0.09 0.00 0.00 178.44 179.61 1wx6 s TYR 24 N -2.65 1.30 0.61 1.13 1.51 -1.25 -4.58 117.35 113.42 1wx6 s TYR 24 Ca -0.07 -0.55 -0.17 0.00 -1.01 0.00 0.00 57.07 55.28 1wx6 s TYR 24 Cb 0.06 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 41.18 1wx6 s TYR 24 CO 0.92 0.10 1.12 -1.25 -1.11 0.00 0.00 175.55 175.32 1wx6 s PRO 25 N -2.45 3.03 0.01 -1.71 0.04 -1.26 -4.58 135.00 128.08 1wx6 s PRO 25 Ca 0.05 1.48 -0.13 0.00 0.04 0.00 0.00 61.00 62.45 1wx6 s PRO 25 Cb -0.06 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1wx6 s PRO 25 CO 0.02 -1.08 0.26 0.12 0.04 0.00 0.00 177.00 176.37 1wx6 s PHE 26 N -2.10 -0.09 0.07 0.56 2.19 -1.12 -4.97 117.98 112.52 1wx6 s PHE 26 Ca 0.69 0.07 0.09 0.00 0.33 0.00 0.00 56.93 58.11 1wx6 s PHE 26 Cb -0.22 0.05 -0.03 0.00 -1.31 0.00 0.00 43.02 41.51 1wx6 s PHE 26 CO 0.35 -0.40 -0.25 -1.54 1.83 0.00 0.00 175.22 175.22 1wx6 s SER 27 N -1.57 3.35 -0.69 6.13 1.04 -1.26 -2.72 113.70 117.98 1wx6 s SER 27 Ca -0.11 -0.61 -0.03 0.00 0.48 0.00 0.00 55.95 55.68 1wx6 s SER 27 Cb -0.04 -0.33 0.18 0.00 0.10 0.00 0.00 66.02 65.92 1wx6 s SER 27 CO 0.01 0.23 0.52 -0.94 0.98 0.00 0.00 173.24 174.04 1wx6 s SER 28 N -1.55 5.41 0.59 7.02 1.04 -1.26 -4.86 113.70 120.10 1wx6 s SER 28 Ca 0.13 -3.05 0.32 0.00 0.48 0.00 0.00 55.95 53.84 1wx6 s SER 28 Cb -0.10 -1.87 1.19 0.00 0.10 0.00 0.00 66.02 65.34 1wx6 s SER 28 CO 0.04 -0.33 1.46 -0.37 0.98 0.00 0.00 173.24 175.02 1wx6 h VAL 29 N 5.00 0.07 -4.87 5.02 -1.51 -1.94 -3.41 116.25 114.61 1wx6 h VAL 29 Ca 0.03 0.00 -0.46 0.00 -1.23 0.00 0.00 66.70 65.03 1wx6 h VAL 29 Cb 0.92 0.10 -0.13 0.00 -2.13 0.00 0.00 31.29 30.06 1wx6 h VAL 29 CO 0.74 0.00 -0.48 0.28 -1.23 0.00 0.00 177.57 176.88 1wx6 s THR 30 N -4.58 0.00 0.12 7.19 -1.32 -1.26 -5.06 115.64 110.73 1wx6 s THR 30 Ca -0.03 -1.98 -0.16 0.00 -1.21 0.00 0.00 61.69 58.31 1wx6 s THR 30 Cb 0.17 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.63 1wx6 s THR 30 CO 0.58 0.00 1.59 1.05 -2.21 0.00 0.00 174.62 175.63 1wx6 h GLU 31 N 2.14 0.63 -0.93 7.08 4.11 -1.98 -3.10 114.58 122.53 1wx6 h GLU 31 Ca -0.25 -0.18 0.19 0.00 0.07 0.00 0.00 59.36 59.19 1wx6 h GLU 31 Cb 1.23 -0.07 -0.18 0.00 0.50 0.00 0.00 28.75 30.24 1wx6 h GLU 31 CO 0.36 0.70 -0.21 0.93 0.07 0.00 0.00 179.01 180.87 1wx6 h GLU 32 N 0.46 0.00 -7.40 1.06 3.07 -1.94 -3.40 114.58 106.43 1wx6 h GLU 32 Ca 0.11 -0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.47 1wx6 h GLU 32 Cb 0.39 -0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.38 1wx6 h GLU 32 CO 0.01 0.00 0.39 -1.21 -1.40 0.00 0.00 179.01 176.80 1wx6 s GLU 33 N -6.23 2.82 -0.01 2.33 2.02 -1.17 0.66 118.70 119.12 1wx6 s GLU 33 Ca -0.15 0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.52 1wx6 s GLU 33 Cb 0.26 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.45 1wx6 s GLU 33 CO 0.77 -1.11 0.03 -0.51 0.02 0.00 0.00 175.26 174.46 1wx6 s LEU 34 N -5.47 3.67 -0.06 1.80 1.43 -1.20 -4.52 118.68 114.33 1wx6 s LEU 34 Ca 0.58 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 1wx6 s LEU 34 Cb -0.13 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1wx6 s LEU 34 CO 0.54 0.29 -0.10 0.54 0.23 0.00 0.00 176.35 177.84 1wx6 s ASN 35 N -1.54 4.37 0.28 2.29 2.20 -1.26 -4.00 114.94 117.27 1wx6 s ASN 35 Ca 0.20 -0.10 -0.19 0.00 -0.94 0.00 0.00 52.86 51.83 1wx6 s ASN 35 Cb -0.12 -1.03 0.07 0.00 -2.00 0.00 0.00 41.25 38.17 1wx6 s ASN 35 CO 0.11 0.35 0.94 0.72 -2.94 0.00 0.00 177.10 176.27 1wx6 s PHE 36 N -0.76 0.12 0.44 1.54 -0.71 -1.10 -4.94 117.98 112.56 1wx6 s PHE 36 Ca 0.12 -0.66 0.03 0.00 -1.04 0.00 0.00 56.93 55.39 1wx6 s PHE 36 Cb -0.11 0.77 -0.01 0.00 -1.21 0.00 0.00 43.02 42.46 1wx6 s PHE 36 CO 0.01 -1.23 0.13 -1.83 -1.34 0.00 0.00 175.22 170.95 1wx6 s GLU 37 N -2.10 2.04 0.07 1.99 -1.05 -1.26 -2.79 118.70 115.59 1wx6 s GLU 37 Ca 0.20 -2.27 -0.31 0.00 -0.15 0.00 0.00 54.97 52.44 1wx6 s GLU 37 Cb -0.04 -0.71 -0.08 0.00 -0.44 0.00 0.00 34.13 32.87 1wx6 s GLU 37 CO 0.08 -0.52 1.53 0.21 0.95 0.00 0.00 175.26 177.51 1wx6 s LYS 38 N -3.69 4.24 0.00 -4.83 2.20 -1.26 -3.31 119.74 113.09 1wx6 s LYS 38 Ca 0.18 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 1wx6 s LYS 38 Cb 0.01 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1wx6 s LYS 38 CO 0.13 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 1wx6 n GLY 39 N 3.78 0.64 3.52 5.54 0.00 -0.14 -5.00 105.19 113.53 1wx6 n GLY 39 Ca 0.14 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.63 1.93 0.07 1.61 0.41 -1.21 -4.90 118.70 112.97 1wx6 s GLU 40 Ca 0.00 -1.11 0.06 0.00 -0.41 0.00 0.00 54.97 53.51 1wx6 s GLU 40 Cb 0.00 -2.19 -0.04 0.00 -1.78 0.00 0.00 34.13 30.12 1wx6 s GLU 40 CO 0.00 0.49 -0.10 0.99 -0.49 0.00 0.00 175.26 176.15 1wx6 s THR 41 N -1.15 3.36 0.22 3.63 2.01 -1.26 0.26 115.64 122.70 1wx6 s THR 41 Ca 0.19 -1.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 1wx6 s THR 41 Cb -0.11 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.90 1wx6 s THR 41 CO 0.11 0.23 0.34 0.23 -0.69 0.00 0.00 174.62 174.83 1wx6 n MET 42 N 1.07 0.48 -3.79 4.92 2.81 -0.54 -4.75 117.12 117.32 1wx6 n MET 42 Ca -0.14 -1.62 -0.14 0.00 -1.81 0.00 0.00 57.70 53.98 1wx6 n MET 42 Cb 0.52 1.65 -0.15 0.00 -0.71 0.00 0.00 33.22 34.53 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 -0.02 -0.40 0.03 2.02 -1.26 -2.66 118.70 114.02 1wx6 s GLU 43 Ca 0.16 0.15 -0.29 0.00 0.02 0.00 0.00 54.97 55.01 1wx6 s GLU 43 Cb -0.01 -0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.05 1wx6 s GLU 43 CO 0.11 -0.12 1.34 0.08 0.02 0.00 0.00 175.26 176.69 1wx6 s VAL 44 N 0.79 4.00 -0.06 2.63 1.01 -0.87 -3.03 120.40 124.87 1wx6 s VAL 44 Ca -0.07 1.04 0.12 0.00 0.00 0.00 0.00 61.98 63.08 1wx6 s VAL 44 Cb -0.09 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.79 1wx6 s VAL 44 CO -0.02 -0.75 0.60 2.30 0.00 0.00 0.00 175.10 177.23 1wx6 n ILE 45 N 6.88 1.60 -3.46 2.22 -5.35 -0.62 -0.89 119.36 119.73 1wx6 n ILE 45 Ca 0.15 -0.79 -0.12 0.00 -0.27 0.00 0.00 62.75 61.72 1wx6 n ILE 45 Cb 0.48 -1.03 -0.03 0.00 -1.74 0.00 0.00 39.64 37.32 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 -2.59 1.10 -0.07 6.28 2.56 -1.12 -4.33 118.70 120.54 1wx6 s GLU 46 Ca -0.06 -0.29 0.01 0.00 0.00 0.00 0.00 54.97 54.63 1wx6 s GLU 46 Cb 0.08 0.51 0.02 0.00 2.00 0.00 0.00 34.13 36.74 1wx6 s GLU 46 CO 0.82 -0.46 -0.08 0.15 -0.56 0.00 0.00 175.26 175.14 1wx6 s LYS 47 N -3.08 1.28 1.16 4.30 1.02 -1.26 -1.47 119.74 121.68 1wx6 s LYS 47 Ca -0.00 -0.24 -0.18 0.00 0.02 0.00 0.00 55.97 55.57 1wx6 s LYS 47 Cb -0.01 -1.20 0.27 0.00 -0.52 0.00 0.00 37.83 36.37 1wx6 s LYS 47 CO -0.08 -0.08 1.11 -1.25 -0.92 0.00 0.00 175.35 174.12 1wx6 s PRO 48 N 1.02 -0.91 0.00 -1.68 0.04 -1.26 -5.01 135.00 127.20 1wx6 s PRO 48 Ca -0.09 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.00 1wx6 s PRO 48 Cb -0.14 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1wx6 s PRO 48 CO -0.00 -3.53 0.00 0.39 0.04 0.00 0.00 177.00 173.90 1wx6 n GLU 49 N -4.65 0.00 -0.03 4.56 1.02 -1.26 -4.61 120.64 115.67 1wx6 n GLU 49 Ca 0.11 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1wx6 n GLU 49 Cb 0.59 -0.47 0.47 0.00 -0.02 0.00 0.00 31.44 32.01 1wx6 n GLU 49 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1wx6 h ASN 50 N 0.00 0.39 -3.08 1.62 -1.07 -2.01 -3.29 115.58 108.14 1wx6 h ASN 50 Ca 0.00 -0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.76 1wx6 h ASN 50 Cb 0.94 -0.09 -0.40 0.00 -2.07 0.00 0.00 38.32 36.70 1wx6 h ASN 50 CO 0.00 0.26 -0.74 -0.62 0.07 0.00 0.00 177.43 176.40 1wx6 s ASP 51 N -6.49 3.47 0.33 6.14 -1.08 -1.26 -4.94 116.67 112.84 1wx6 s ASP 51 Ca -0.08 -3.18 0.26 0.00 -0.52 0.00 0.00 52.55 49.03 1wx6 s ASP 51 Cb 0.18 -1.10 1.09 0.00 -1.46 0.00 0.00 42.92 41.63 1wx6 s ASP 51 CO 0.74 -0.18 1.78 1.55 0.52 0.00 0.00 175.17 179.58 1wx6 h PRO 52 N 5.97 0.00 0.00 4.34 0.13 -1.82 -2.66 132.00 137.96 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 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1wx6 h PRO 52 CO 0.54 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.70 1wx6 n GLU 53 N -2.44 0.03 -4.38 0.86 1.02 -1.26 -4.72 120.64 109.75 1wx6 n GLU 53 Ca 0.02 0.21 -0.24 0.00 -0.02 0.00 0.00 57.16 57.13 1wx6 n GLU 53 Cb 0.24 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.95 2.03 0.06 -0.32 0.52 -1.00 -2.93 118.94 114.35 1wx6 s TRP 54 Ca 0.09 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 55.82 1wx6 s TRP 54 Cb 0.11 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.41 1wx6 s TRP 54 CO 0.29 0.43 -0.11 -1.58 0.02 0.00 0.00 176.95 176.00 1wx6 s TRP 55 N -2.01 0.95 -0.36 -1.98 0.51 0.12 -4.46 118.94 111.70 1wx6 s TRP 55 Ca 0.19 -0.51 -0.15 0.00 -2.12 0.00 0.00 56.10 53.51 1wx6 s TRP 55 Cb -0.06 -0.54 -0.00 0.00 -0.81 0.00 0.00 33.47 32.05 1wx6 s TRP 55 CO 0.09 -0.02 0.36 0.21 -0.51 0.00 0.00 176.95 177.08 1wx6 s LYS 56 N -1.83 3.43 0.36 4.98 2.20 -0.54 -0.49 119.74 127.84 1wx6 s LYS 56 Ca -0.04 -0.54 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 1wx6 s LYS 56 Cb -0.09 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 1wx6 s LYS 56 CO 0.01 -0.59 0.13 0.00 -0.36 0.00 0.00 175.35 174.54 1wx6 s LYS 58 N -3.77 1.51 0.79 0.00 2.20 -1.17 -2.73 119.74 116.57 1wx6 s LYS 58 Ca 0.30 -0.28 -0.09 0.00 -0.36 0.00 0.00 55.97 55.54 1wx6 s LYS 58 Cb 0.04 -1.48 0.10 0.00 -1.51 0.00 0.00 37.83 34.98 1wx6 s LYS 58 CO 0.16 -0.18 1.12 0.54 -0.36 0.00 0.00 175.35 176.64 1wx6 s ASN 59 N 1.38 4.33 0.25 1.43 6.03 -0.80 -4.11 114.94 123.45 1wx6 s ASN 59 Ca -0.01 0.42 0.14 0.00 -1.03 0.00 0.00 52.86 52.38 1wx6 s ASN 59 Cb -0.14 -0.88 0.78 0.00 -3.03 0.00 0.00 41.25 37.98 1wx6 s ASN 59 CO -0.04 -1.94 1.39 0.00 -2.03 0.00 0.00 177.10 174.47 1wx6 n ALA 60 N -3.20 0.88 1.94 3.54 0.00 -1.26 -0.28 120.51 122.14 1wx6 n ALA 60 Ca 0.10 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.77 1wx6 n ALA 60 Cb 0.60 -1.06 0.53 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.01 1.05 -1.42 0.00 1.74 -1.26 -4.86 116.66 109.91 1wx6 n ARG 61 Ca -0.01 -0.08 -0.14 0.00 -0.77 0.00 0.00 57.85 56.85 1wx6 n ARG 61 Cb 0.12 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 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 0.81 1.47 3.61 -0.13 0.00 0.62 -4.98 105.19 106.58 1wx6 n GLY 62 Ca 0.14 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1wx6 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wx6 s GLN 63 N -3.17 2.24 0.15 1.61 -0.21 -1.25 -4.94 119.66 114.09 1wx6 s GLN 63 Ca 0.00 -0.99 0.09 0.00 0.02 0.00 0.00 55.36 54.48 1wx6 s GLN 63 Cb 0.00 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 1wx6 s GLN 63 CO 0.00 0.51 -0.15 0.14 -2.12 0.00 0.00 175.29 173.67 1wx6 s VAL 64 N -1.28 2.96 0.06 1.09 -7.23 -1.26 -1.91 120.40 112.82 1wx6 s VAL 64 Ca 0.23 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 58.71 1wx6 s VAL 64 Cb -0.11 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1wx6 s VAL 64 CO 0.15 -0.02 0.34 0.61 -0.31 0.00 0.00 175.10 175.87 1wx6 n GLY 65 N 0.41 1.06 3.53 2.32 0.00 -1.11 -4.77 105.19 106.63 1wx6 n GLY 65 Ca -0.13 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 4.51 -0.06 0.99 1.43 0.21 -3.19 118.68 122.57 1wx6 s LEU 66 Ca 0.07 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1wx6 s LEU 66 Cb -0.01 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1wx6 s LEU 66 CO 0.02 -0.59 -0.14 0.54 0.23 0.00 0.00 176.35 176.42 1wx6 s VAL 67 N 2.45 3.11 -0.08 -1.59 0.11 0.36 -3.22 120.40 121.54 1wx6 s VAL 67 Ca 0.18 -0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 58.24 1wx6 s VAL 67 Cb -0.15 -2.24 -0.04 0.00 -1.53 0.00 0.00 36.38 32.42 1wx6 s VAL 67 CO 0.15 0.58 1.51 -2.16 -3.33 0.00 0.00 175.10 171.86 1wx6 s PRO 68 N -0.59 4.20 0.53 1.54 0.04 -1.26 0.11 135.00 139.57 1wx6 s PRO 68 Ca 0.08 2.01 0.28 0.00 0.04 0.00 0.00 61.00 63.42 1wx6 s PRO 68 Cb -0.11 -3.88 1.46 0.00 0.04 0.00 0.00 34.50 32.00 1wx6 s PRO 68 CO 0.01 -0.78 2.06 1.57 0.04 0.00 0.00 177.00 179.90 1wx6 h LYS 69 N 8.99 0.00 0.00 4.56 2.10 -1.86 -1.69 116.57 128.66 1wx6 h LYS 69 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1wx6 h LYS 69 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1wx6 h LYS 69 CO 0.96 0.11 0.00 -0.91 -2.00 0.00 0.00 179.45 177.61 1wx6 h ASN 70 N 0.00 0.00 0.27 7.07 2.35 -1.90 -2.59 115.58 120.78 1wx6 h ASN 70 Ca -0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 1wx6 h ASN 70 Cb 0.36 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 1wx6 h ASN 70 CO 0.01 0.00 -1.94 -1.22 -1.65 0.00 0.00 177.43 172.63 1wx6 n TYR 71 N -2.74 0.41 -3.48 1.19 4.02 -0.65 -4.97 117.16 110.94 1wx6 n TYR 71 Ca 0.00 0.14 -0.23 0.00 -0.01 0.00 0.00 57.90 57.80 1wx6 n TYR 71 Cb 0.23 -0.95 0.03 0.00 -0.02 0.00 0.00 39.34 38.63 1wx6 n TYR 71 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1wx6 s VAL 72 N -2.84 1.88 -0.22 -0.72 -7.23 -0.98 -1.56 120.40 108.74 1wx6 s VAL 72 Ca -0.07 -1.25 -0.19 0.00 -1.81 0.00 0.00 61.98 58.66 1wx6 s VAL 72 Cb 0.09 -2.14 0.06 0.00 0.56 0.00 0.00 36.38 34.95 1wx6 s VAL 72 CO 0.84 0.00 0.58 0.68 -0.31 0.00 0.00 175.10 176.89 1wx6 s VAL 73 N -2.72 -0.00 -0.13 1.32 -7.23 -0.84 -4.87 120.40 105.93 1wx6 s VAL 73 Ca 0.47 0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 60.36 1wx6 s VAL 73 Cb -0.04 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 1wx6 s VAL 73 CO 0.30 0.00 1.26 -0.69 -0.31 0.00 0.00 175.10 175.66 1wx6 s VAL 74 N 0.61 4.23 -0.19 1.32 1.01 -1.26 -1.53 120.40 124.59 1wx6 s VAL 74 Ca -0.02 1.51 -0.15 0.00 0.00 0.00 0.00 61.98 63.32 1wx6 s VAL 74 Cb -0.05 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 1wx6 s VAL 74 CO -0.03 -0.09 -0.14 0.18 0.00 0.00 0.00 175.10 175.02 1wx6 n LEU 75 N 6.19 1.88 -4.35 3.92 4.77 -0.06 -4.99 117.00 124.36 1wx6 n LEU 75 Ca 0.13 0.46 -0.20 0.00 -0.03 0.00 0.00 56.01 56.37 1wx6 n LEU 75 Cb 0.45 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.59 1wx6 n LEU 75 CO 0.56 -0.03 -0.17 -0.55 -1.33 0.00 0.00 177.39 175.87 1wx6 s SER 76 N -6.41 1.76 -0.37 -1.43 0.15 -1.21 -5.04 113.70 101.15 1wx6 s SER 76 Ca -0.26 -1.65 -0.02 0.00 0.70 0.00 0.00 55.95 54.72 1wx6 s SER 76 Cb 0.06 0.48 0.09 0.00 -1.71 0.00 0.00 66.02 64.93 1wx6 s SER 76 CO 0.42 -0.96 0.13 -1.81 1.20 0.00 0.00 173.24 172.22 1wx6 s ASP 77 N -3.41 5.13 0.00 5.45 1.11 -1.26 -2.52 116.67 121.16 1wx6 s ASP 77 Ca 0.35 -1.78 0.00 0.00 0.18 0.00 0.00 52.55 51.30 1wx6 s ASP 77 Cb 0.04 -1.79 0.00 0.00 1.07 0.00 0.00 42.92 42.24 1wx6 s ASP 77 CO 0.20 -0.44 0.00 0.61 1.18 0.00 0.00 175.17 176.72 1wx6 n GLY 78 N 4.59 2.42 0.00 0.21 0.00 -1.12 -4.73 105.19 106.56 1wx6 n GLY 78 Ca -0.05 -2.06 0.07 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.13 0.29 -1.91 1.61 -0.04 -1.26 -4.31 135.00 129.24 1wx6 n PRO 79 Ca 0.00 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 1wx6 n PRO 79 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1wx6 n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wx6 s ALA 80 N -2.41 1.88 -0.08 0.55 0.00 -1.26 -4.76 121.76 115.67 1wx6 s ALA 80 Ca 0.17 -0.67 0.15 0.00 0.00 0.00 0.00 51.96 51.60 1wx6 s ALA 80 Cb 0.10 -4.37 -0.17 0.00 0.00 0.00 0.00 23.12 18.67 1wx6 s ALA 80 CO 0.21 -4.30 0.79 1.37 0.00 0.00 0.00 175.76 173.83 1wx6 h LEU 81 N 17.73 0.00 -9.83 0.00 -0.00 -1.99 -3.47 115.31 117.74 1wx6 h LEU 81 Ca -0.18 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.19 1wx6 h LEU 81 Cb 1.15 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.85 1wx6 h LEU 81 CO 1.19 0.78 0.56 -2.28 -0.00 0.00 0.00 178.44 178.69 1wx6 s HIS 82 N -2.77 3.30 -0.15 0.17 2.46 -1.26 -4.96 115.29 112.08 1wx6 s HIS 82 Ca -0.03 1.54 -0.29 0.00 0.47 0.00 0.00 55.06 56.74 1wx6 s HIS 82 Cb 0.08 -3.49 -0.03 0.00 -0.13 0.00 0.00 32.58 29.01 1wx6 s HIS 82 CO 0.82 -1.26 1.56 -1.25 -2.47 0.00 0.00 174.74 172.14 1wx6 s PRO 83 N -1.53 4.03 0.99 2.88 0.04 -1.26 -4.97 135.00 135.18 1wx6 s PRO 83 Ca 0.47 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 1wx6 s PRO 83 Cb -0.36 -3.96 -0.10 0.00 0.04 0.00 0.00 34.50 30.12 1wx6 s PRO 83 CO 0.47 -1.00 -0.58 0.00 0.04 0.00 0.00 177.00 175.93 1wx6 n ALA 84 N 7.56 -4.82 -1.33 8.56 0.00 -1.26 -4.76 120.51 124.46 1wx6 n ALA 84 Ca 0.17 -0.78 -0.23 0.00 0.00 0.00 0.00 53.44 52.59 1wx6 n ALA 84 Cb 0.44 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1wx6 n ALA 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1wx6 n HIS 85 N -2.96 1.13 -4.28 0.00 8.25 -1.26 -4.86 115.22 111.24 1wx6 n HIS 85 Ca 0.00 -1.96 -0.16 0.00 -0.26 0.00 0.00 57.72 55.34 1wx6 n HIS 85 Cb 0.58 -1.63 -0.10 0.00 1.12 0.00 0.00 29.99 29.97 1wx6 n HIS 85 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wx6 s SER 86 N 1.20 0.93 0.54 0.41 0.15 -1.26 -5.16 113.70 110.52 1wx6 s SER 86 Ca 0.63 -1.46 -0.16 0.00 0.70 0.00 0.00 55.95 55.65 1wx6 s SER 86 Cb 0.32 0.34 -0.06 0.00 -1.71 0.00 0.00 66.02 64.90 1wx6 s SER 86 CO -0.10 -0.84 1.01 -0.83 1.20 0.00 0.00 173.24 173.67 1wx6 s GLY 87 N -3.28 2.07 0.33 9.45 0.00 -1.26 -5.02 107.32 109.61 1wx6 s GLY 87 Ca 0.38 0.23 -0.28 0.00 0.00 0.00 0.00 44.72 45.05 1wx6 s GLY 87 CO 0.15 0.52 1.22 2.56 0.00 0.00 0.00 173.10 177.55 1wx6 s PRO 88 N -4.11 4.39 0.80 2.90 0.04 -1.26 -5.04 135.00 132.73 1wx6 s PRO 88 Ca 0.60 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.58 1wx6 s PRO 88 Cb -0.12 -3.04 0.12 0.00 0.04 0.00 0.00 34.50 31.50 1wx6 s PRO 88 CO 0.34 -0.09 1.13 -1.54 0.04 0.00 0.00 177.00 176.88 1wx6 s SER 89 N -0.71 4.17 -0.40 6.66 1.04 -1.26 -5.04 113.70 118.16 1wx6 s SER 89 Ca 0.49 0.32 -0.18 0.00 0.48 0.00 0.00 55.95 57.06 1wx6 s SER 89 Cb -0.36 -0.72 0.01 0.00 0.10 0.00 0.00 66.02 65.06 1wx6 s SER 89 CO 0.47 -2.04 0.49 -0.94 0.98 0.00 0.00 173.24 172.21 1wx6 s SER 90 N -4.68 6.25 0.00 7.02 1.04 -1.26 -5.33 113.70 116.74 1wx6 s SER 90 Ca 0.66 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1wx6 s SER 90 Cb -0.08 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1wx6 s SER 90 CO 0.48 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.73