#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1x s LYS 2 N 0.00 2.67 0.91 1.97 1.02 -1.26 -5.07 119.74 119.98 3k1x s LYS 2 Ca 0.00 -1.40 -0.12 0.00 0.02 0.00 0.00 55.97 54.47 3k1x s LYS 2 Cb 0.00 -2.56 0.14 0.00 -0.52 0.00 0.00 37.83 34.89 3k1x s LYS 2 CO 0.00 -0.24 1.11 -1.25 -0.92 0.00 0.00 175.35 174.04 3k1x s PRO 3 N -4.24 1.12 0.02 -1.68 0.04 -1.26 -4.67 135.00 124.33 3k1x s PRO 3 Ca 0.52 0.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.04 3k1x s PRO 3 Cb -0.06 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 3k1x s PRO 3 CO 0.30 -2.26 0.08 0.15 0.04 0.00 0.00 177.00 175.31 3k1x s LYS 4 N -5.09 0.48 0.14 4.56 1.02 0.13 -2.22 119.74 118.75 3k1x s LYS 4 Ca 0.64 -0.58 -0.15 0.00 0.02 0.00 0.00 55.97 55.90 3k1x s LYS 4 Cb -0.16 0.19 -0.07 0.00 -0.52 0.00 0.00 37.83 37.26 3k1x s LYS 4 CO 0.55 -0.11 0.56 -0.51 -0.92 0.00 0.00 175.35 174.93 3k1x s LEU 5 N -1.67 4.36 -0.40 3.17 1.43 0.12 0.12 118.68 125.81 3k1x s LEU 5 Ca -0.12 1.11 -0.00 0.00 -1.03 0.00 0.00 54.13 54.09 3k1x s LEU 5 Cb -0.06 -3.25 0.11 0.00 0.03 0.00 0.00 46.19 43.02 3k1x s LEU 5 CO -0.01 0.12 0.16 -0.76 0.23 0.00 0.00 176.35 176.09 3k1x s LEU 6 N -1.88 5.07 -0.17 1.79 1.43 -1.26 -0.53 118.68 123.12 3k1x s LEU 6 Ca 0.37 -2.14 -0.27 0.00 -1.03 0.00 0.00 54.13 51.07 3k1x s LEU 6 Cb -0.15 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 3k1x s LEU 6 CO 0.19 -0.47 0.92 -0.47 0.23 0.00 0.00 176.35 176.74 3k1x s TYR 7 N 0.97 3.42 -0.30 0.29 5.04 -0.49 -0.88 117.35 125.40 3k1x s TYR 7 Ca 0.10 1.37 -0.16 0.00 -2.44 0.00 0.00 57.07 55.94 3k1x s TYR 7 Cb -0.21 -3.11 -0.02 0.00 0.35 0.00 0.00 41.96 38.96 3k1x s TYR 7 CO -0.05 -0.30 0.41 0.00 -1.34 0.00 0.00 175.55 174.26 3k1x n SER 9 N 5.43 0.00 0.40 0.00 3.41 -1.14 -1.11 113.62 120.63 3k1x n SER 9 Ca -0.08 0.41 -0.19 0.00 -0.26 0.00 0.00 58.87 58.76 3k1x n SER 9 Cb 0.50 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 3k1x n SER 9 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3k1x h ASN 10 N 0.00 -0.85 -0.06 4.04 -1.24 -1.82 -3.34 115.58 112.31 3k1x h ASN 10 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.04 3k1x h ASN 10 Cb 0.26 0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.52 3k1x h ASN 10 CO 0.00 -0.60 0.00 0.61 -1.29 0.00 0.00 177.43 176.15 3k1x n GLY 11 N -1.51 0.82 0.81 1.57 0.00 -1.25 -4.75 105.19 100.88 3k1x n GLY 11 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3k1x n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1x n GLY 12 N 0.02 0.54 3.28 -0.02 0.00 -0.26 -4.99 105.19 103.76 3k1x n GLY 12 Ca 0.03 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 3k1x n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k1x s HIS 13 N -2.53 2.04 0.03 1.61 3.76 -0.91 -4.56 115.29 114.72 3k1x s HIS 13 Ca 0.00 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.23 3k1x s HIS 13 Cb 0.00 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.41 3k1x s HIS 13 CO 0.00 0.07 0.93 -0.06 -0.85 0.00 0.00 174.74 174.83 3k1x s PHE 14 N -0.73 3.70 0.26 1.40 0.08 0.37 -0.31 117.98 122.74 3k1x s PHE 14 Ca 0.09 1.66 -0.30 0.00 0.12 0.00 0.00 56.93 58.50 3k1x s PHE 14 Cb -0.09 -3.05 -0.11 0.00 -0.57 0.00 0.00 43.02 39.20 3k1x s PHE 14 CO 0.01 0.08 1.56 -1.17 -0.10 0.00 0.00 175.22 175.60 3k1x s LEU 15 N 0.63 4.36 -0.04 -0.37 2.96 -0.06 -1.69 118.68 124.47 3k1x s LEU 15 Ca 0.48 2.84 0.02 0.00 -0.22 0.00 0.00 54.13 57.25 3k1x s LEU 15 Cb -0.21 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.86 3k1x s LEU 15 CO 0.27 -0.85 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.75 3k1x s ARG 16 N -0.18 1.20 -0.55 1.98 3.52 0.28 -4.50 118.95 120.70 3k1x s ARG 16 Ca 0.64 -0.34 -0.05 0.00 -0.13 0.00 0.00 55.73 55.85 3k1x s ARG 16 Cb -0.46 -1.08 0.14 0.00 -1.56 0.00 0.00 34.95 32.00 3k1x s ARG 16 CO 0.44 0.08 0.38 0.42 -0.81 0.00 0.00 175.30 175.81 3k1x s ILE 17 N 0.37 3.79 0.57 4.11 1.01 -0.97 -1.30 121.20 128.79 3k1x s ILE 17 Ca -0.07 -2.47 -0.18 0.00 0.00 0.00 0.00 60.65 57.93 3k1x s ILE 17 Cb -0.11 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 3k1x s ILE 17 CO 0.01 -0.82 1.12 -0.76 0.00 0.00 0.00 174.94 174.49 3k1x s LEU 18 N 0.54 3.65 0.49 2.97 1.43 -0.24 -4.81 118.68 122.70 3k1x s LEU 18 Ca 0.13 2.11 0.33 0.00 -1.03 0.00 0.00 54.13 55.66 3k1x s LEU 18 Cb -0.21 -4.57 1.65 0.00 0.03 0.00 0.00 46.19 43.09 3k1x s LEU 18 CO -0.04 -1.31 2.00 -0.65 0.23 0.00 0.00 176.35 176.59 3k1x h PRO 19 N 0.87 0.00 0.00 1.29 0.11 -1.98 0.23 132.00 132.52 3k1x h PRO 19 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3k1x h PRO 19 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k1x h PRO 19 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 3k1x n ASP 20 N -2.75 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 111.37 3k1x n ASP 20 Ca -0.01 -0.65 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 3k1x n ASP 20 Cb 0.14 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3k1x n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k1x n GLY 21 N 0.70 0.70 3.70 6.12 0.00 0.07 -4.92 105.19 111.56 3k1x n GLY 21 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3k1x n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k1x s THR 22 N -2.45 3.80 -0.17 2.61 2.01 -1.24 -0.34 115.64 119.85 3k1x s THR 22 Ca 0.00 1.23 -0.03 0.00 0.31 0.00 0.00 61.69 63.20 3k1x s THR 22 Cb 0.00 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 3k1x s THR 22 CO 0.00 0.04 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.21 3k1x s VAL 23 N 1.81 3.48 0.00 3.82 1.01 -1.26 -1.08 120.40 128.18 3k1x s VAL 23 Ca 0.61 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3k1x s VAL 23 Cb -0.31 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3k1x s VAL 23 CO 0.27 0.48 0.00 -0.90 0.00 0.00 0.00 175.10 174.95 3k1x n ASP 24 N 3.91 0.00 -4.17 3.32 5.75 -0.42 -4.22 116.55 120.72 3k1x n ASP 24 Ca -0.18 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.39 3k1x n ASP 24 Cb 0.52 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.48 3k1x n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3k1x s GLY 25 N 0.00 0.86 0.22 6.12 0.00 0.50 -0.55 107.32 114.46 3k1x s GLY 25 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 43.90 3k1x s GLY 25 CO 0.00 -0.87 -0.12 -1.08 0.00 0.00 0.00 173.10 171.02 3k1x s THR 26 N -0.91 1.68 -2.43 0.90 -1.32 -0.68 -4.81 115.64 108.07 3k1x s THR 26 Ca 0.02 -2.19 0.22 0.00 -1.21 0.00 0.00 61.69 58.54 3k1x s THR 26 Cb -0.08 -2.11 0.42 0.00 -1.51 0.00 0.00 72.50 69.22 3k1x s THR 26 CO 0.02 -0.55 1.47 0.54 -2.21 0.00 0.00 174.62 173.89 3k1x n ARG 27 N -0.41 2.11 -3.21 7.08 5.12 -1.26 -0.48 116.66 125.61 3k1x n ARG 27 Ca -0.08 -1.67 -0.44 0.00 -1.93 0.00 0.00 57.85 53.73 3k1x n ARG 27 Cb 0.61 -1.45 -0.06 0.00 -1.16 0.00 0.00 32.46 30.39 3k1x n ARG 27 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3k1x s ASP 28 N -1.57 6.20 0.39 0.55 2.15 -1.26 -4.88 116.67 118.24 3k1x s ASP 28 Ca 0.35 -1.15 0.28 0.00 0.43 0.00 0.00 52.55 52.46 3k1x s ASP 28 Cb 0.20 -2.26 1.21 0.00 -0.30 0.00 0.00 42.92 41.77 3k1x s ASP 28 CO 0.29 -0.87 1.84 0.03 -0.17 0.00 0.00 175.17 176.30 3k1x h ARG 29 N 8.96 0.00 -0.55 4.34 -0.00 -2.02 0.70 114.38 125.82 3k1x h ARG 29 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.20 3k1x h ARG 29 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.07 3k1x h ARG 29 CO 0.97 0.00 0.00 -1.13 0.00 0.00 0.00 179.97 179.81 3k1x n SER 30 N -2.59 2.97 -4.77 7.04 3.41 -1.26 -4.93 113.62 113.50 3k1x n SER 30 Ca 0.01 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.21 3k1x n SER 30 Cb 0.23 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.81 3k1x n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k1x s ASP 31 N -1.02 6.43 0.05 4.04 2.15 0.24 -4.92 116.67 123.63 3k1x s ASP 31 Ca 0.37 2.95 0.27 0.00 0.43 0.00 0.00 52.55 56.57 3k1x s ASP 31 Cb 0.19 -2.65 0.90 0.00 -0.30 0.00 0.00 42.92 41.07 3k1x s ASP 31 CO 0.26 -0.83 1.72 0.00 -0.17 0.00 0.00 175.17 176.14 3k1x n GLN 32 N 1.17 0.08 -0.40 4.34 1.13 -1.26 -3.88 117.38 118.55 3k1x n GLN 32 Ca 0.03 0.05 0.08 0.00 -1.94 0.00 0.00 57.00 55.22 3k1x n GLN 32 Cb 0.39 -1.57 0.24 0.00 0.11 0.00 0.00 30.24 29.41 3k1x n GLN 32 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3k1x n HIS 33 N -1.70 0.91 0.83 1.08 8.25 -1.26 -4.37 115.22 118.95 3k1x n HIS 33 Ca 0.06 -0.74 0.09 0.00 -0.26 0.00 0.00 57.72 56.87 3k1x n HIS 33 Cb 0.37 -0.24 -0.12 0.00 1.12 0.00 0.00 29.99 31.12 3k1x n HIS 33 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3k1x n ILE 34 N -0.04 0.00 -2.80 1.59 -5.35 -1.25 -2.29 119.36 109.21 3k1x n ILE 34 Ca 0.19 -0.08 -0.42 0.00 -0.27 0.00 0.00 62.75 62.17 3k1x n ILE 34 Cb 0.78 0.89 -0.03 0.00 -1.74 0.00 0.00 39.64 39.53 3k1x n ILE 34 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3k1x s GLN 35 N -2.94 4.26 0.06 6.28 1.11 -1.26 -4.43 119.66 122.73 3k1x s GLN 35 Ca 0.06 1.12 0.09 0.00 0.01 0.00 0.00 55.36 56.64 3k1x s GLN 35 Cb 0.15 -3.62 -0.03 0.00 -1.01 0.00 0.00 33.01 28.50 3k1x s GLN 35 CO 0.82 -0.48 -0.25 -0.51 0.01 0.00 0.00 175.29 174.88 3k1x s LEU 36 N 2.70 2.20 -0.21 2.90 1.43 0.12 -1.79 118.68 126.03 3k1x s LEU 36 Ca 0.40 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3k1x s LEU 36 Cb -0.16 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 3k1x s LEU 36 CO 0.09 0.21 -0.05 -1.58 0.23 0.00 0.00 176.35 175.26 3k1x s GLN 37 N -1.41 3.41 -0.12 1.70 2.00 0.17 0.17 119.66 125.59 3k1x s GLN 37 Ca 0.11 -0.62 -0.05 0.00 -2.00 0.00 0.00 55.36 52.80 3k1x s GLN 37 Cb -0.10 -2.98 -0.04 0.00 0.80 0.00 0.00 33.01 30.70 3k1x s GLN 37 CO 0.03 -0.12 0.07 -0.51 -0.50 0.00 0.00 175.29 174.25 3k1x s LEU 38 N 1.29 3.94 -0.07 3.68 1.02 -1.26 -1.28 118.68 126.00 3k1x s LEU 38 Ca 0.03 0.26 0.01 0.00 0.02 0.00 0.00 54.13 54.45 3k1x s LEU 38 Cb -0.14 -1.95 0.02 0.00 0.02 0.00 0.00 46.19 44.14 3k1x s LEU 38 CO -0.02 0.35 -0.08 -0.94 0.02 0.00 0.00 176.35 175.68 3k1x s SER 39 N -0.68 1.62 -0.62 2.29 1.04 -0.89 -4.82 113.70 111.64 3k1x s SER 39 Ca 0.12 -0.24 -0.27 0.00 0.48 0.00 0.00 55.95 56.03 3k1x s SER 39 Cb -0.12 -0.70 0.03 0.00 0.10 0.00 0.00 66.02 65.33 3k1x s SER 39 CO 0.02 -0.04 1.19 0.00 0.98 0.00 0.00 173.24 175.40 3k1x s ALA 40 N 1.03 2.94 0.14 5.32 0.00 -1.26 -1.13 121.76 128.80 3k1x s ALA 40 Ca -0.08 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 3k1x s ALA 40 Cb -0.15 -4.07 -0.06 0.00 0.00 0.00 0.00 23.12 18.85 3k1x s ALA 40 CO -0.00 -2.82 1.40 1.49 0.00 0.00 0.00 175.76 175.83 3k1x h GLU 41 N 9.66 0.77 -5.07 0.00 4.81 -1.55 -3.45 114.58 119.75 3k1x h GLU 41 Ca -0.26 -0.53 -0.45 0.00 -0.13 0.00 0.00 59.36 57.99 3k1x h GLU 41 Cb 1.06 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 30.38 3k1x h GLU 41 CO 1.21 1.15 -0.59 -1.12 -0.73 0.00 0.00 179.01 178.93 3k1x s SER 42 N -6.99 2.05 0.12 1.04 0.01 -1.24 -5.06 113.70 103.63 3k1x s SER 42 Ca -0.10 -1.45 -0.23 0.00 1.31 0.00 0.00 55.95 55.49 3k1x s SER 42 Cb 0.10 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.41 3k1x s SER 42 CO 0.88 -0.72 1.40 0.58 0.41 0.00 0.00 173.24 175.79 3k1x h VAL 43 N 2.14 0.00 -0.66 3.43 2.07 -2.02 -2.55 116.25 118.66 3k1x h VAL 43 Ca -0.39 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 66.76 3k1x h VAL 43 Cb 1.25 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.80 3k1x h VAL 43 CO 0.63 0.00 0.20 0.61 0.02 0.00 0.00 177.57 179.04 3k1x n GLY 44 N -1.19 5.02 3.16 2.17 0.00 -1.26 -4.94 105.19 108.14 3k1x n GLY 44 Ca 0.01 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 3k1x n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1x s GLU 45 N -3.37 2.87 0.10 1.61 2.02 -0.96 -0.45 118.70 120.51 3k1x s GLU 45 Ca 0.51 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.77 3k1x s GLU 45 Cb 0.44 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 3k1x s GLU 45 CO 0.03 0.01 -0.16 0.14 0.02 0.00 0.00 175.26 175.30 3k1x s VAL 46 N 0.77 1.39 0.07 2.63 -7.23 0.11 -1.32 120.40 116.82 3k1x s VAL 46 Ca -0.09 -1.51 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 3k1x s VAL 46 Cb -0.16 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 3k1x s VAL 46 CO -0.00 -0.22 0.32 -0.31 -0.31 0.00 0.00 175.10 174.58 3k1x s TYR 47 N -1.47 3.54 -0.20 2.82 2.02 -0.28 -1.94 117.35 121.83 3k1x s TYR 47 Ca 0.04 0.57 0.01 0.00 -0.37 0.00 0.00 57.07 57.32 3k1x s TYR 47 Cb -0.09 -2.00 0.04 0.00 -0.40 0.00 0.00 41.96 39.51 3k1x s TYR 47 CO 0.03 0.53 -0.13 0.42 -1.57 0.00 0.00 175.55 174.83 3k1x s ILE 48 N -1.46 1.85 -0.05 2.71 1.01 -1.26 -2.09 121.20 121.90 3k1x s ILE 48 Ca 0.34 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3k1x s ILE 48 Cb -0.13 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.50 3k1x s ILE 48 CO 0.21 0.25 -0.12 -0.75 0.00 0.00 0.00 174.94 174.52 3k1x s LYS 49 N 1.32 1.50 0.07 2.79 2.20 -0.40 -1.49 119.74 125.72 3k1x s LYS 49 Ca -0.01 -0.42 -0.32 0.00 -0.36 0.00 0.00 55.97 54.86 3k1x s LYS 49 Cb -0.16 -1.29 -0.11 0.00 -1.51 0.00 0.00 37.83 34.76 3k1x s LYS 49 CO -0.09 0.10 1.83 0.45 -0.36 0.00 0.00 175.35 177.28 3k1x n SER 50 N 3.51 3.77 0.21 1.43 2.88 0.70 0.45 113.62 126.58 3k1x n SER 50 Ca -0.21 0.99 0.09 0.00 -1.33 0.00 0.00 58.87 58.41 3k1x n SER 50 Cb 0.53 -1.48 0.34 0.00 -0.75 0.00 0.00 64.21 62.84 3k1x n SER 50 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3k1x h THR 51 N 4.82 0.52 0.05 2.46 1.35 -1.69 0.22 112.91 120.64 3k1x h THR 51 Ca -0.47 -1.32 -0.00 0.00 -0.55 0.00 0.00 66.41 64.06 3k1x h THR 51 Cb 1.24 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3k1x h THR 51 CO 0.94 0.24 -0.02 -0.08 -0.25 0.00 0.00 175.52 176.35 3k1x h GLU 52 N 0.00 -0.06 0.00 4.72 4.57 -1.78 -3.40 114.58 118.62 3k1x h GLU 52 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3k1x h GLU 52 Cb 0.91 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 3k1x h GLU 52 CO 0.03 0.51 -1.11 0.25 -1.18 0.00 0.00 179.01 177.51 3k1x n THR 53 N -4.83 0.00 -0.94 0.32 -2.24 -1.20 -4.99 114.28 100.40 3k1x n THR 53 Ca -0.09 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3k1x n THR 53 Cb 0.30 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3k1x n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1x n GLY 54 N 1.73 0.59 3.77 3.38 0.00 0.76 -5.01 105.19 110.41 3k1x n GLY 54 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3k1x n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1x s GLN 55 N -0.34 4.41 -0.22 1.61 -0.21 -1.26 -4.65 119.66 119.00 3k1x s GLN 55 Ca 0.00 1.66 -0.10 0.00 0.02 0.00 0.00 55.36 56.94 3k1x s GLN 55 Cb 0.00 -2.88 -0.05 0.00 1.00 0.00 0.00 33.01 31.08 3k1x s GLN 55 CO 0.00 0.04 0.15 0.71 -2.12 0.00 0.00 175.29 174.07 3k1x s TYR 56 N -1.39 3.36 0.26 0.91 1.51 0.71 -0.21 117.35 122.48 3k1x s TYR 56 Ca 0.51 0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 56.54 3k1x s TYR 56 Cb -0.27 -2.23 -0.13 0.00 -0.11 0.00 0.00 41.96 39.22 3k1x s TYR 56 CO 0.35 0.16 1.37 -0.11 -1.11 0.00 0.00 175.55 176.20 3k1x n LEU 57 N 3.97 3.09 -3.79 -1.29 7.94 -0.55 0.90 117.00 127.27 3k1x n LEU 57 Ca -0.15 1.15 -0.09 0.00 -1.11 0.00 0.00 56.01 55.81 3k1x n LEU 57 Cb 0.52 -1.43 -0.07 0.00 0.53 0.00 0.00 43.42 42.98 3k1x n LEU 57 CO 0.36 -0.54 -0.02 0.00 -1.11 0.00 0.00 177.39 176.08 3k1x s ALA 58 N -0.26 -0.45 -0.14 1.96 0.00 0.79 -4.34 121.76 119.32 3k1x s ALA 58 Ca 0.66 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.20 3k1x s ALA 58 Cb -0.64 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3k1x s ALA 58 CO 0.52 -0.53 -0.06 1.41 0.00 0.00 0.00 175.76 177.09 3k1x s MET 59 N -3.72 1.48 0.38 0.00 1.75 -0.78 -1.01 119.30 117.40 3k1x s MET 59 Ca 0.03 -0.39 -0.06 0.00 -1.25 0.00 0.00 55.69 54.02 3k1x s MET 59 Cb 0.04 -1.81 0.09 0.00 2.84 0.00 0.00 34.83 35.98 3k1x s MET 59 CO -0.11 -0.35 0.43 -0.40 -0.65 0.00 0.00 175.02 173.94 3k1x n ASP 60 N 4.91 -0.57 0.19 1.11 5.68 0.13 -4.83 116.55 123.17 3k1x n ASP 60 Ca -0.12 -0.98 0.14 0.00 -0.50 0.00 0.00 54.79 53.32 3k1x n ASP 60 Cb 0.49 -0.35 0.40 0.00 -1.14 0.00 0.00 41.12 40.51 3k1x n ASP 60 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3k1x h THR 61 N -1.55 0.00 -0.29 2.12 1.35 -2.01 -1.69 112.91 110.83 3k1x h THR 61 Ca -0.15 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3k1x h THR 61 Cb 0.42 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3k1x h THR 61 CO 0.10 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.84 3k1x n ASP 62 N -2.78 1.75 0.00 5.36 8.00 -1.26 -4.92 116.55 122.69 3k1x n ASP 62 Ca 0.03 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.61 3k1x n ASP 62 Cb 0.41 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 3k1x n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k1x n GLY 63 N 1.06 0.60 3.74 0.44 0.00 -0.64 -4.53 105.19 105.86 3k1x n GLY 63 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3k1x n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1x s LEU 64 N 0.00 4.33 0.27 0.99 2.96 -1.25 -0.71 118.68 125.27 3k1x s LEU 64 Ca 0.00 0.99 -0.30 0.00 -0.22 0.00 0.00 54.13 54.60 3k1x s LEU 64 Cb 0.00 -2.83 -0.09 0.00 0.50 0.00 0.00 46.19 43.76 3k1x s LEU 64 CO 0.00 0.02 1.07 -0.76 -1.32 0.00 0.00 176.35 175.36 3k1x s LEU 65 N 0.38 4.57 0.18 -0.68 1.43 -1.26 0.18 118.68 123.48 3k1x s LEU 65 Ca 0.30 2.21 -0.18 0.00 -1.03 0.00 0.00 54.13 55.43 3k1x s LEU 65 Cb -0.17 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.46 3k1x s LEU 65 CO 0.14 -0.09 0.51 -0.72 0.23 0.00 0.00 176.35 176.42 3k1x s TYR 66 N -1.14 -0.15 -0.26 0.29 -0.85 -0.18 -4.34 117.35 110.72 3k1x s TYR 66 Ca 0.44 -0.18 -0.10 0.00 -0.52 0.00 0.00 57.07 56.71 3k1x s TYR 66 Cb -0.31 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 3k1x s TYR 66 CO 0.39 -0.89 0.15 0.20 -1.52 0.00 0.00 175.55 173.88 3k1x s GLY 67 N -2.86 1.88 -0.22 5.49 0.00 0.54 -0.15 107.32 111.99 3k1x s GLY 67 Ca 0.08 -1.08 -0.10 0.00 0.00 0.00 0.00 44.72 43.62 3k1x s GLY 67 CO -0.04 0.58 0.15 -0.45 0.00 0.00 0.00 173.10 173.34 3k1x s SER 68 N 1.63 6.16 0.50 1.64 0.15 0.26 -4.42 113.70 119.61 3k1x s SER 68 Ca 0.07 0.16 0.22 0.00 0.70 0.00 0.00 55.95 57.10 3k1x s SER 68 Cb -0.15 -2.10 1.31 0.00 -1.71 0.00 0.00 66.02 63.37 3k1x s SER 68 CO 0.08 0.11 2.06 1.56 1.20 0.00 0.00 173.24 178.25 3k1x h GLN 69 N 7.19 0.00 -4.84 5.44 1.08 -1.91 0.20 115.11 122.26 3k1x h GLN 69 Ca -0.39 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.48 3k1x h GLN 69 Cb 1.16 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.38 3k1x h GLN 69 CO 0.70 0.13 -0.75 0.95 -0.95 0.00 0.00 178.83 178.91 3k1x s THR 70 N -4.42 0.74 0.60 -0.54 -4.23 -1.26 -4.82 115.64 101.71 3k1x s THR 70 Ca -0.04 -1.14 -0.15 0.00 -1.18 0.00 0.00 61.69 59.19 3k1x s THR 70 Cb 0.14 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 3k1x s THR 70 CO 0.63 -0.31 1.04 -2.16 -0.54 0.00 0.00 174.62 173.28 3k1x s PRO 71 N -1.59 3.38 0.11 3.99 0.04 -1.26 -4.89 135.00 134.78 3k1x s PRO 71 Ca -0.07 1.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.80 3k1x s PRO 71 Cb -0.10 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.48 3k1x s PRO 71 CO 0.01 -0.75 1.10 0.54 0.04 0.00 0.00 177.00 177.94 3k1x s ASN 72 N -3.11 -0.07 0.27 6.66 6.03 -1.26 -5.05 114.94 118.42 3k1x s ASN 72 Ca 0.61 -0.42 0.23 0.00 -1.03 0.00 0.00 52.86 52.26 3k1x s ASN 72 Cb -0.14 0.38 1.01 0.00 -3.03 0.00 0.00 41.25 39.47 3k1x s ASN 72 CO 0.40 -0.73 1.71 -1.84 -2.03 0.00 0.00 177.10 174.61 3k1x n GLU 73 N -0.60 0.19 0.00 3.55 0.28 -1.26 -2.26 120.64 120.54 3k1x n GLU 73 Ca -0.04 0.45 0.13 0.00 -0.16 0.00 0.00 57.16 57.53 3k1x n GLU 73 Cb 0.60 -1.89 0.58 0.00 1.43 0.00 0.00 31.44 32.17 3k1x n GLU 73 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3k1x n GLU 74 N -2.25 0.11 0.01 3.44 1.02 -1.26 -3.65 120.64 118.06 3k1x n GLU 74 Ca 0.02 0.05 0.11 0.00 -0.02 0.00 0.00 57.16 57.32 3k1x n GLU 74 Cb 0.21 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.18 3k1x n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k1x s LEU 76 N -3.37 4.55 -0.02 0.00 2.01 -1.24 -4.40 118.68 116.21 3k1x s LEU 76 Ca 0.07 1.44 -0.03 0.00 0.01 0.00 0.00 54.13 55.63 3k1x s LEU 76 Cb 0.16 -3.10 0.00 0.00 0.01 0.00 0.00 46.19 43.26 3k1x s LEU 76 CO 0.79 0.22 0.06 -0.36 1.01 0.00 0.00 176.35 178.07 3k1x s PHE 77 N -0.99 -0.01 -0.34 0.29 0.08 -0.82 -1.50 117.98 114.68 3k1x s PHE 77 Ca 0.33 0.04 -0.21 0.00 0.12 0.00 0.00 56.93 57.21 3k1x s PHE 77 Cb -0.21 -0.02 0.00 0.00 -0.57 0.00 0.00 43.02 42.22 3k1x s PHE 77 CO 0.22 -0.09 0.67 -0.51 -0.10 0.00 0.00 175.22 175.41 3k1x s LEU 78 N -0.36 4.20 -0.16 -0.37 1.43 -0.10 0.07 118.68 123.40 3k1x s LEU 78 Ca -0.04 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 3k1x s LEU 78 Cb -0.03 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 3k1x s LEU 78 CO 0.00 -0.60 0.20 -0.70 0.23 0.00 0.00 176.35 175.49 3k1x s GLU 79 N 2.77 4.08 -0.06 1.70 2.12 0.40 -2.08 118.70 127.63 3k1x s GLU 79 Ca 0.26 -0.06 0.02 0.00 0.36 0.00 0.00 54.97 55.56 3k1x s GLU 79 Cb -0.14 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.88 3k1x s GLU 79 CO 0.14 0.37 -0.12 1.03 -0.54 0.00 0.00 175.26 176.14 3k1x s ARG 80 N 0.11 1.61 0.15 4.30 0.52 -0.89 -4.82 118.95 119.94 3k1x s ARG 80 Ca 0.13 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 3k1x s ARG 80 Cb -0.12 -1.35 -0.07 0.00 0.52 0.00 0.00 34.95 33.93 3k1x s ARG 80 CO 0.02 0.06 1.02 -1.17 0.02 0.00 0.00 175.30 175.25 3k1x s LEU 81 N 0.54 4.51 0.46 2.53 0.20 -1.26 -1.45 118.68 124.21 3k1x s LEU 81 Ca -0.12 1.93 0.03 0.00 0.69 0.00 0.00 54.13 56.67 3k1x s LEU 81 Cb -0.14 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 41.98 3k1x s LEU 81 CO 0.03 -0.11 0.02 -1.61 -0.29 0.00 0.00 176.35 174.39 3k1x s GLU 82 N -0.28 2.06 0.29 1.98 0.41 0.15 -4.93 118.70 118.38 3k1x s GLU 82 Ca 0.47 -2.26 -0.30 0.00 -0.41 0.00 0.00 54.97 52.47 3k1x s GLU 82 Cb -0.26 -1.45 -0.12 0.00 -1.78 0.00 0.00 34.13 30.52 3k1x s GLU 82 CO 0.32 -0.26 1.57 -1.91 -0.49 0.00 0.00 175.26 174.49 3k1x n GLU 83 N -1.10 2.60 -2.35 1.61 2.13 -1.26 -3.56 120.64 118.70 3k1x n GLU 83 Ca -0.12 0.92 -0.08 0.00 0.66 0.00 0.00 57.16 58.53 3k1x n GLU 83 Cb 0.67 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.70 3k1x n GLU 83 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3k1x n ASN 84 N 2.14 -3.13 0.00 4.31 3.02 -1.26 -3.44 115.26 116.90 3k1x n ASN 84 Ca 0.09 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 3k1x n ASN 84 Cb 0.36 -2.24 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 3k1x n ASN 84 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3k1x n HIS 85 N -3.87 0.00 -2.17 3.10 8.25 -1.23 -5.00 115.22 114.29 3k1x n HIS 85 Ca -0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.06 3k1x n HIS 85 Cb 0.56 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.60 3k1x n HIS 85 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3k1x s TYR 86 N -3.59 2.98 0.17 4.41 2.02 -1.22 -4.40 117.35 117.71 3k1x s TYR 86 Ca 0.00 1.53 0.08 0.00 -0.37 0.00 0.00 57.07 58.30 3k1x s TYR 86 Cb 0.00 -3.03 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 3k1x s TYR 86 CO 0.00 -1.06 -0.16 -0.80 -1.57 0.00 0.00 175.55 171.96 3k1x s ASN 87 N -2.57 2.47 0.24 2.29 0.01 0.38 -0.67 114.94 117.10 3k1x s ASN 87 Ca 0.65 -0.90 0.10 0.00 -0.71 0.00 0.00 52.86 52.00 3k1x s ASN 87 Cb -0.16 -0.13 -0.04 0.00 0.41 0.00 0.00 41.25 41.32 3k1x s ASN 87 CO 0.33 -0.10 -0.08 0.42 -1.51 0.00 0.00 177.10 176.15 3k1x s THR 88 N -2.34 3.13 -0.13 1.60 -4.23 -0.53 -0.48 115.64 112.66 3k1x s THR 88 Ca 0.16 -1.96 -0.02 0.00 -1.18 0.00 0.00 61.69 58.69 3k1x s THR 88 Cb -0.04 -2.63 0.04 0.00 1.34 0.00 0.00 72.50 71.21 3k1x s THR 88 CO 0.06 -0.30 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.52 3k1x s TYR 89 N -2.18 1.01 -0.16 3.99 1.51 -1.26 -2.09 117.35 118.17 3k1x s TYR 89 Ca 0.29 -0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 55.71 3k1x s TYR 89 Cb -0.07 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 3k1x s TYR 89 CO 0.17 -0.48 0.03 0.42 -1.11 0.00 0.00 175.55 174.58 3k1x s ILE 90 N 1.86 4.51 0.14 2.71 1.01 -0.88 -0.63 121.20 129.92 3k1x s ILE 90 Ca 0.02 -0.14 -0.33 0.00 0.00 0.00 0.00 60.65 60.20 3k1x s ILE 90 Cb -0.14 -3.00 -0.13 0.00 0.01 0.00 0.00 42.46 39.20 3k1x s ILE 90 CO -0.07 0.50 1.67 -0.24 0.00 0.00 0.00 174.94 176.80 3k1x n SER 91 N 3.26 3.46 -0.09 3.58 2.88 -0.31 -0.92 113.62 125.47 3k1x n SER 91 Ca -0.17 1.06 -0.13 0.00 -1.33 0.00 0.00 58.87 58.30 3k1x n SER 91 Cb 0.53 -1.47 -0.05 0.00 -0.75 0.00 0.00 64.21 62.47 3k1x n SER 91 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3k1x h LYS 92 N 6.75 0.60 -0.57 -1.46 3.64 -1.58 0.66 116.57 124.61 3k1x h LYS 92 Ca -0.45 -0.30 0.04 0.00 -1.27 0.00 0.00 60.65 58.67 3k1x h LYS 92 Cb 1.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3k1x h LYS 92 CO 0.92 0.89 0.38 -0.22 -2.27 0.00 0.00 179.45 179.14 3k1x h LYS 93 N 0.32 0.62 -0.52 1.90 3.64 -1.78 -2.14 116.57 118.61 3k1x h LYS 93 Ca 0.05 -0.04 -0.36 0.00 -1.27 0.00 0.00 60.65 59.03 3k1x h LYS 93 Cb 0.76 -0.14 -0.26 0.00 -0.41 0.00 0.00 32.23 32.17 3k1x h LYS 93 CO 0.05 0.41 -0.51 0.72 -2.27 0.00 0.00 179.45 177.86 3k1x n HIS 94 N -4.47 1.83 -0.11 1.91 8.25 -1.14 -4.73 115.22 116.76 3k1x n HIS 94 Ca 0.07 -2.01 0.02 0.00 -0.26 0.00 0.00 57.72 55.54 3k1x n HIS 94 Cb 0.15 -0.42 0.32 0.00 1.12 0.00 0.00 29.99 31.16 3k1x n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k1x h ALA 95 N 1.69 1.54 0.00 -1.41 0.00 -0.16 -2.38 119.26 118.54 3k1x h ALA 95 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3k1x h ALA 95 Cb 1.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3k1x h ALA 95 CO 0.57 0.40 0.00 1.05 0.00 0.00 0.00 179.25 181.27 3k1x h GLU 96 N 0.78 0.00 -0.10 0.00 9.09 -1.85 -1.96 114.58 120.54 3k1x h GLU 96 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.62 3k1x h GLU 96 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.06 3k1x h GLU 96 CO -0.04 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.65 3k1x n LYS 97 N -2.91 2.33 -3.56 1.06 5.02 -0.90 -4.98 118.16 114.21 3k1x n LYS 97 Ca 0.00 -1.94 -0.20 0.00 -2.02 0.00 0.00 58.31 54.15 3k1x n LYS 97 Cb 0.26 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.87 3k1x n LYS 97 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k1x n ASN 98 N 1.31 -2.63 -4.58 4.39 5.03 -0.74 -4.95 115.26 113.09 3k1x n ASN 98 Ca 0.15 -0.67 -0.41 0.00 0.87 0.00 0.00 54.58 54.52 3k1x n ASN 98 Cb 0.59 -4.75 -0.07 0.00 -1.02 0.00 0.00 39.78 34.52 3k1x n ASN 98 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3k1x s TRP 99 N -3.43 3.20 0.18 3.10 0.52 -1.23 -4.75 118.94 116.53 3k1x s TRP 99 Ca 0.13 0.36 -0.05 0.00 0.02 0.00 0.00 56.10 56.56 3k1x s TRP 99 Cb -0.06 -2.93 -0.06 0.00 -1.15 0.00 0.00 33.47 29.27 3k1x s TRP 99 CO 0.76 -0.49 0.44 -0.06 0.02 0.00 0.00 176.95 177.61 3k1x s PHE 100 N 2.46 3.46 0.24 -1.98 0.40 -1.26 -1.17 117.98 120.14 3k1x s PHE 100 Ca 0.21 0.61 -0.30 0.00 -0.60 0.00 0.00 56.93 56.85 3k1x s PHE 100 Cb -0.15 -2.06 -0.10 0.00 0.51 0.00 0.00 43.02 41.22 3k1x s PHE 100 CO 0.12 0.36 1.45 0.08 0.70 0.00 0.00 175.22 177.94 3k1x s VAL 101 N -1.76 2.66 -0.03 -0.44 1.01 0.20 -4.52 120.40 117.51 3k1x s VAL 101 Ca 0.42 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 3k1x s VAL 101 Cb -0.12 -3.35 0.08 0.00 0.00 0.00 0.00 36.38 33.00 3k1x s VAL 101 CO 0.25 0.08 0.72 -0.83 0.00 0.00 0.00 175.10 175.32 3k1x s GLY 102 N 0.45 -0.54 -0.03 4.51 0.00 -1.26 -4.38 107.32 106.08 3k1x s GLY 102 Ca 0.60 1.29 0.04 0.00 0.00 0.00 0.00 44.72 46.65 3k1x s GLY 102 CO 0.42 0.83 -0.14 1.08 0.00 0.00 0.00 173.10 175.30 3k1x s LEU 103 N -1.45 1.89 1.02 0.66 1.43 -0.41 -0.26 118.68 121.56 3k1x s LEU 103 Ca -0.07 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 3k1x s LEU 103 Cb -0.00 -0.77 0.20 0.00 0.03 0.00 0.00 46.19 45.65 3k1x s LEU 103 CO 0.05 0.12 1.08 -0.54 0.23 0.00 0.00 176.35 177.29 3k1x s LYS 104 N 0.03 0.21 0.63 1.70 1.02 0.13 -4.46 119.74 119.00 3k1x s LYS 104 Ca -0.02 0.99 0.38 0.00 0.02 0.00 0.00 55.97 57.34 3k1x s LYS 104 Cb -0.09 -1.67 2.16 0.00 -0.52 0.00 0.00 37.83 37.70 3k1x s LYS 104 CO 0.01 -3.01 2.32 0.87 -0.92 0.00 0.00 175.35 174.62 3k1x h LYS 105 N -2.11 0.00 -0.15 1.68 1.57 -1.88 -2.30 116.57 113.38 3k1x h LYS 105 Ca -0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3k1x h LYS 105 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3k1x h LYS 105 CO 0.50 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.65 3k1x n ASN 106 N -3.42 1.68 0.00 0.86 0.23 -1.26 -4.46 115.26 108.89 3k1x n ASN 106 Ca -0.03 -1.69 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 3k1x n ASN 106 Cb 0.08 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 3k1x n ASN 106 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k1x n GLY 107 N 1.15 0.67 3.86 4.83 0.00 -0.86 -4.97 105.19 109.86 3k1x n GLY 107 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3k1x n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k1x s SER 108 N -1.90 6.61 0.22 1.61 0.01 -1.26 -0.37 113.70 118.61 3k1x s SER 108 Ca 0.00 1.36 -0.30 0.00 1.31 0.00 0.00 55.95 58.32 3k1x s SER 108 Cb 0.00 -2.42 -0.09 0.00 0.21 0.00 0.00 66.02 63.72 3k1x s SER 108 CO 0.00 -0.46 1.31 0.00 0.41 0.00 0.00 173.24 174.50 3k1x s LYS 110 N -0.32 3.45 0.65 0.00 2.20 0.65 -4.65 119.74 121.72 3k1x s LYS 110 Ca 0.56 -0.35 -0.17 0.00 -0.36 0.00 0.00 55.97 55.65 3k1x s LYS 110 Cb -0.37 -3.87 -0.02 0.00 -1.51 0.00 0.00 37.83 32.07 3k1x s LYS 110 CO 0.40 -0.74 1.08 0.54 -0.36 0.00 0.00 175.35 176.27 3k1x n ARG 111 N 5.77 0.85 -0.13 4.03 1.74 -1.26 -4.23 116.66 123.43 3k1x n ARG 111 Ca -0.05 0.34 -0.04 0.00 -0.77 0.00 0.00 57.85 57.33 3k1x n ARG 111 Cb 0.48 -2.31 0.03 0.00 -1.02 0.00 0.00 32.46 29.64 3k1x n ARG 111 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3k1x h GLY 112 N 0.27 0.39 2.00 -0.13 0.00 -1.15 -1.82 103.07 102.63 3k1x h GLY 112 Ca -0.49 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3k1x h GLY 112 CO 0.50 -0.13 -0.01 -0.56 0.00 0.00 0.00 176.54 176.35 3k1x h PRO 113 N 0.07 0.00 -0.64 4.80 0.13 -1.85 -1.87 132.00 132.64 3k1x h PRO 113 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3k1x h PRO 113 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.44 3k1x h PRO 113 CO -0.38 0.01 0.00 0.54 -0.23 0.00 0.00 178.00 177.94 3k1x n ARG 114 N -3.43 2.73 -3.99 0.86 5.12 -0.69 -4.89 116.66 112.36 3k1x n ARG 114 Ca -0.03 -2.36 -0.26 0.00 -1.93 0.00 0.00 57.85 53.28 3k1x n ARG 114 Cb 0.09 -1.58 -0.04 0.00 -1.16 0.00 0.00 32.46 29.77 3k1x n ARG 114 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3k1x s THR 115 N -1.32 5.04 -0.04 0.55 -4.23 -0.70 -4.94 115.64 110.00 3k1x s THR 115 Ca 0.43 -0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 59.80 3k1x s THR 115 Cb 0.24 -3.60 0.07 0.00 1.34 0.00 0.00 72.50 70.56 3k1x s THR 115 CO 0.27 -0.12 0.70 -2.28 -0.54 0.00 0.00 174.62 172.65 3k1x s HIS 116 N -1.77 -0.62 0.46 3.99 5.04 -1.26 -4.84 115.29 116.28 3k1x s HIS 116 Ca 0.33 1.00 -0.25 0.00 -1.54 0.00 0.00 55.06 54.61 3k1x s HIS 116 Cb -0.11 0.43 -0.08 0.00 0.04 0.00 0.00 32.58 32.87 3k1x s HIS 116 CO 0.27 -0.61 1.36 -0.47 -2.34 0.00 0.00 174.74 172.94 3k1x s TYR 117 N -1.47 2.56 0.00 3.88 5.04 -1.26 -2.51 117.35 123.59 3k1x s TYR 117 Ca -0.09 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 3k1x s TYR 117 Cb -0.00 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.53 3k1x s TYR 117 CO 0.07 -2.56 0.00 0.41 -1.34 0.00 0.00 175.55 172.12 3k1x n GLY 118 N 0.63 2.39 3.77 8.97 0.00 -1.26 -5.07 105.19 114.61 3k1x n GLY 118 Ca 0.06 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 3k1x n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1x s GLN 119 N 0.00 4.45 0.50 1.61 -0.21 -1.05 -4.94 119.66 120.02 3k1x s GLN 119 Ca 0.00 2.02 0.23 0.00 0.02 0.00 0.00 55.36 57.63 3k1x s GLN 119 Cb 0.00 -3.09 1.34 0.00 1.00 0.00 0.00 33.01 32.26 3k1x s GLN 119 CO 0.00 -0.04 2.06 0.87 -2.12 0.00 0.00 175.29 176.06 3k1x h LYS 120 N 3.49 0.00 -0.48 2.91 1.57 -1.96 -3.21 116.57 118.89 3k1x h LYS 120 Ca -0.48 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.44 3k1x h LYS 120 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 3k1x h LYS 120 CO 0.66 0.13 0.53 0.00 -0.57 0.00 0.00 179.45 180.20 3k1x h ALA 121 N 1.87 2.20 -0.00 3.86 0.00 -1.93 -2.33 119.26 122.93 3k1x h ALA 121 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k1x h ALA 121 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3k1x h ALA 121 CO 0.02 -0.77 -0.71 0.44 0.00 0.00 0.00 179.25 178.23 3k1x n ILE 122 N -3.65 0.00 -2.96 0.00 -5.35 -1.21 -1.29 119.36 104.90 3k1x n ILE 122 Ca 0.09 -0.15 -0.43 0.00 -0.27 0.00 0.00 62.75 62.00 3k1x n ILE 122 Cb 0.72 1.02 -0.05 0.00 -1.74 0.00 0.00 39.64 39.59 3k1x n ILE 122 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3k1x s LEU 123 N -2.68 4.18 -0.14 7.28 1.43 -0.88 -4.35 118.68 123.52 3k1x s LEU 123 Ca 0.07 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3k1x s LEU 123 Cb 0.12 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 3k1x s LEU 123 CO 0.63 -0.81 -0.15 -0.36 0.23 0.00 0.00 176.35 175.88 3k1x s PHE 124 N 3.19 2.77 -0.32 0.29 0.40 0.37 -2.86 117.98 121.81 3k1x s PHE 124 Ca 0.31 -0.90 -0.20 0.00 -0.60 0.00 0.00 56.93 55.54 3k1x s PHE 124 Cb -0.13 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.54 3k1x s PHE 124 CO 0.19 -0.38 0.61 -1.17 0.70 0.00 0.00 175.22 175.17 3k1x s LEU 125 N 0.62 4.19 0.04 -0.37 2.96 0.21 -0.47 118.68 125.87 3k1x s LEU 125 Ca -0.08 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.82 3k1x s LEU 125 Cb -0.16 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 3k1x s LEU 125 CO 0.03 -0.49 1.05 -2.84 -1.32 0.00 0.00 176.35 172.77 3k1x s PRO 126 N 2.58 4.54 -0.30 0.98 0.02 -1.26 -1.39 135.00 140.17 3k1x s PRO 126 Ca 0.24 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.80 3k1x s PRO 126 Cb -0.15 -3.40 0.09 0.00 0.02 0.00 0.00 34.50 31.06 3k1x s PRO 126 CO 0.13 -0.07 0.07 -0.51 -0.33 0.00 0.00 177.00 176.29 3k1x s LEU 127 N 0.79 2.73 0.33 -5.54 2.01 0.31 -4.97 118.68 114.34 3k1x s LEU 127 Ca 0.53 -1.64 -0.28 0.00 0.01 0.00 0.00 54.13 52.75 3k1x s LEU 127 Cb -0.24 -1.04 -0.10 0.00 0.01 0.00 0.00 46.19 44.82 3k1x s LEU 127 CO 0.29 -0.38 1.23 -2.84 1.01 0.00 0.00 176.35 175.66 3k1x s PRO 128 N 1.46 4.36 0.16 1.29 0.02 -1.26 -0.70 135.00 140.33 3k1x s PRO 128 Ca 0.08 2.04 -0.14 0.00 0.02 0.00 0.00 61.00 62.99 3k1x s PRO 128 Cb -0.18 -3.02 -0.07 0.00 0.02 0.00 0.00 34.50 31.25 3k1x s PRO 128 CO -0.18 -0.12 0.57 0.14 -0.33 0.00 0.00 177.00 177.08 3k1x s VAL 129 N -1.20 4.83 0.00 3.83 -7.23 -0.94 -4.87 120.40 114.82 3k1x s VAL 129 Ca 0.49 0.85 0.00 0.00 -1.81 0.00 0.00 61.98 61.51 3k1x s VAL 129 Cb -0.36 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 32.84 3k1x s VAL 129 CO 0.47 0.21 0.00 -1.20 -0.31 0.00 0.00 175.10 174.27