#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 4.38 1.01 -1.58 1.02 -1.26 -5.04 119.74 118.27 3k1x s LYS 2 Ca 0.00 1.54 -0.17 0.00 0.02 0.00 0.00 55.97 57.37 3k1x s LYS 2 Cb 0.00 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 3k1x s LYS 2 CO 0.00 0.04 -0.08 -2.30 -0.92 0.00 0.00 175.35 172.09 3k1x n PRO 3 N 0.40 -0.61 -3.82 -1.68 -0.02 -1.26 -4.70 135.00 123.31 3k1x n PRO 3 Ca 0.03 -0.15 -0.09 0.00 -2.02 0.00 0.00 63.50 61.26 3k1x n PRO 3 Cb 0.48 -1.60 -0.07 0.00 -0.02 0.00 0.00 33.50 32.30 3k1x n PRO 3 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3k1x s LYS 4 N -3.17 0.86 0.17 -0.52 1.02 0.19 -2.25 119.74 116.03 3k1x s LYS 4 Ca 0.52 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 55.70 3k1x s LYS 4 Cb -0.15 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 3k1x s LYS 4 CO 0.69 -0.28 0.14 -0.51 -0.92 0.00 0.00 175.35 174.48 3k1x s LEU 5 N -2.72 3.81 -0.26 3.17 1.43 -0.52 -0.91 118.68 122.68 3k1x s LEU 5 Ca 0.03 -0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3k1x s LEU 5 Cb 0.04 -2.42 0.08 0.00 0.03 0.00 0.00 46.19 43.91 3k1x s LEU 5 CO -0.10 0.06 0.03 -0.76 0.23 0.00 0.00 176.35 175.81 3k1x s LEU 6 N -3.14 2.36 -0.24 1.79 1.43 -1.26 -1.01 118.68 118.61 3k1x s LEU 6 Ca 0.31 -1.35 -0.15 0.00 -1.03 0.00 0.00 54.13 51.91 3k1x s LEU 6 Cb -0.10 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 3k1x s LEU 6 CO 0.24 -0.33 0.36 -0.47 0.23 0.00 0.00 176.35 176.38 3k1x s TYR 7 N 1.53 3.30 -0.18 0.29 5.04 -0.66 -1.16 117.35 125.51 3k1x s TYR 7 Ca 0.02 0.48 -0.17 0.00 -2.44 0.00 0.00 57.07 54.96 3k1x s TYR 7 Cb -0.18 -2.53 -0.04 0.00 0.35 0.00 0.00 41.96 39.57 3k1x s TYR 7 CO -0.13 -0.12 0.43 0.00 -1.34 0.00 0.00 175.55 174.39 3k1x h SER 9 N 7.21 0.00 -0.45 0.00 4.64 -1.76 0.12 113.55 123.30 3k1x h SER 9 Ca -0.37 -0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.03 3k1x h SER 9 Cb 1.16 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 3k1x h SER 9 CO 0.73 0.01 -0.15 -1.13 -0.87 0.00 0.00 176.83 175.42 3k1x h ASN 10 N 0.00 -0.53 0.00 4.97 -1.24 -1.83 -3.32 115.58 113.64 3k1x h ASN 10 Ca 0.00 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.16 3k1x h ASN 10 Cb 0.92 0.32 0.00 0.00 0.73 0.00 0.00 38.32 40.29 3k1x h ASN 10 CO 0.00 -0.18 0.00 0.61 -1.29 0.00 0.00 177.43 176.57 3k1x n GLY 11 N -1.36 0.30 1.61 1.57 0.00 -1.23 -4.73 105.19 101.35 3k1x n GLY 11 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 0.44 0.67 3.50 -0.02 0.00 0.38 -5.00 105.19 105.15 3k1x n GLY 12 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.04 2.65 -0.05 1.61 3.76 -0.98 -4.62 115.29 114.62 3k1x s HIS 13 Ca 0.05 -0.20 -0.27 0.00 -0.15 0.00 0.00 55.06 54.49 3k1x s HIS 13 Cb -0.02 -1.50 -0.03 0.00 1.11 0.00 0.00 32.58 32.14 3k1x s HIS 13 CO 0.08 0.29 0.87 -0.06 -0.85 0.00 0.00 174.74 175.08 3k1x s PHE 14 N -0.96 3.59 0.32 1.40 0.08 -0.22 -0.41 117.98 121.78 3k1x s PHE 14 Ca 0.16 1.49 -0.29 0.00 0.12 0.00 0.00 56.93 58.40 3k1x s PHE 14 Cb -0.11 -3.01 -0.11 0.00 -0.57 0.00 0.00 43.02 39.22 3k1x s PHE 14 CO 0.06 -0.03 1.56 -0.11 -0.10 0.00 0.00 175.22 176.60 3k1x n LEU 15 N 4.15 4.49 -3.89 -0.37 7.94 -0.31 -1.02 117.00 127.99 3k1x n LEU 15 Ca 0.04 1.18 -0.16 0.00 -1.11 0.00 0.00 56.01 55.95 3k1x n LEU 15 Cb 0.51 -1.60 -0.15 0.00 0.53 0.00 0.00 43.42 42.70 3k1x n LEU 15 CO 0.50 0.15 -0.39 -0.60 -1.11 0.00 0.00 177.39 175.94 3k1x s ARG 16 N -1.06 0.38 -0.34 1.96 3.52 0.69 -4.52 118.95 119.59 3k1x s ARG 16 Ca 0.60 -0.07 -0.05 0.00 -0.13 0.00 0.00 55.73 56.08 3k1x s ARG 16 Cb -0.49 -0.43 0.05 0.00 -1.56 0.00 0.00 34.95 32.51 3k1x s ARG 16 CO 0.54 -0.00 0.09 0.42 -0.81 0.00 0.00 175.30 175.54 3k1x s ILE 17 N 0.38 3.63 0.66 4.11 1.01 -1.15 -1.56 121.20 128.28 3k1x s ILE 17 Ca -0.04 -1.22 -0.12 0.00 0.00 0.00 0.00 60.65 59.26 3k1x s ILE 17 Cb -0.07 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 3k1x s ILE 17 CO -0.01 -0.20 1.06 -0.76 0.00 0.00 0.00 174.94 175.04 3k1x s LEU 18 N 1.36 3.26 0.50 2.97 1.43 -0.27 -4.85 118.68 123.08 3k1x s LEU 18 Ca -0.02 1.69 0.19 0.00 -1.03 0.00 0.00 54.13 54.96 3k1x s LEU 18 Cb -0.20 -4.51 1.25 0.00 0.03 0.00 0.00 46.19 42.77 3k1x s LEU 18 CO 0.02 -1.35 2.03 -0.65 0.23 0.00 0.00 176.35 176.63 3k1x h PRO 19 N -0.32 0.12 -0.03 1.29 0.11 -1.99 -2.20 132.00 128.98 3k1x h PRO 19 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3k1x h PRO 19 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3k1x h PRO 19 CO 0.57 0.08 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3k1x n ASP 20 N -4.45 0.16 0.00 -2.05 9.92 -1.26 -4.89 116.55 113.98 3k1x n ASP 20 Ca 0.06 -1.84 0.00 0.00 -0.53 0.00 0.00 54.79 52.49 3k1x n ASP 20 Cb 0.39 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 3k1x n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k1x n GLY 21 N 0.63 0.82 3.77 0.44 0.00 -0.83 -4.95 105.19 105.08 3k1x n GLY 21 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.30 2.82 -0.11 2.61 2.01 -1.26 -0.92 115.64 117.49 3k1x s THR 22 Ca 0.00 0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.67 3k1x s THR 22 Cb 0.00 -3.34 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 3k1x s THR 22 CO 0.00 0.02 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.04 3k1x s VAL 23 N -1.44 2.28 0.00 3.82 1.01 -1.26 -1.11 120.40 123.70 3k1x s VAL 23 Ca 0.64 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3k1x s VAL 23 Cb -0.33 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.16 3k1x s VAL 23 CO 0.40 0.55 0.00 -0.90 0.00 0.00 0.00 175.10 175.15 3k1x n ASP 24 N 3.58 0.00 -4.14 3.32 5.75 -0.60 -3.87 116.55 120.59 3k1x n ASP 24 Ca -0.19 -0.32 -0.18 0.00 -0.01 0.00 0.00 54.79 54.10 3k1x n ASP 24 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.32 0.76 0.14 6.12 0.00 0.11 -0.22 107.32 113.90 3k1x s GLY 25 Ca 0.00 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 43.91 3k1x s GLY 25 CO 0.00 -0.88 -0.15 -1.08 0.00 0.00 0.00 173.10 170.98 3k1x s THR 26 N -1.11 1.47 -0.96 0.90 -1.32 -0.19 -4.79 115.64 109.64 3k1x s THR 26 Ca -0.02 -1.79 0.25 0.00 -1.21 0.00 0.00 61.69 58.92 3k1x s THR 26 Cb -0.09 -1.64 0.01 0.00 -1.51 0.00 0.00 72.50 69.27 3k1x s THR 26 CO 0.02 -0.40 1.40 0.54 -2.21 0.00 0.00 174.62 173.97 3k1x n ARG 27 N 0.43 0.03 -2.01 7.08 1.74 -1.26 -1.05 116.66 121.61 3k1x n ARG 27 Ca -0.15 0.01 -0.38 0.00 -0.77 0.00 0.00 57.85 56.56 3k1x n ARG 27 Cb 0.57 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 3k1x n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k1x s ASP 28 N -3.11 5.24 0.06 0.55 2.15 -1.26 -4.77 116.67 115.53 3k1x s ASP 28 Ca 0.10 0.42 0.18 0.00 0.43 0.00 0.00 52.55 53.68 3k1x s ASP 28 Cb 0.17 -2.53 0.74 0.00 -0.30 0.00 0.00 42.92 41.01 3k1x s ASP 28 CO 0.70 -2.38 1.56 -1.14 -0.17 0.00 0.00 175.17 173.74 3k1x n ARG 29 N 9.15 0.04 0.00 4.34 0.63 -1.26 -1.33 116.66 128.23 3k1x n ARG 29 Ca 0.21 0.26 0.13 0.00 -0.92 0.00 0.00 57.85 57.54 3k1x n ARG 29 Cb 0.52 -1.58 0.32 0.00 0.45 0.00 0.00 32.46 32.17 3k1x n ARG 29 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3k1x n SER 30 N -1.66 1.64 -4.67 6.15 7.64 -1.26 -4.95 113.62 116.52 3k1x n SER 30 Ca 0.04 -1.36 -0.45 0.00 1.01 0.00 0.00 58.87 58.11 3k1x n SER 30 Cb 0.20 0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 3k1x n SER 30 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3k1x n ASP 31 N 0.02 2.66 -0.01 6.43 2.03 -0.44 -4.88 116.55 122.37 3k1x n ASP 31 Ca 0.14 1.15 0.14 0.00 0.52 0.00 0.00 54.79 56.74 3k1x n ASP 31 Cb 0.41 -1.42 0.65 0.00 -0.72 0.00 0.00 41.12 40.04 3k1x n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k1x n GLN 32 N 1.90 0.18 -0.59 -0.67 1.13 -1.26 -3.64 117.38 114.43 3k1x n GLN 32 Ca 0.11 -0.01 0.09 0.00 -1.94 0.00 0.00 57.00 55.25 3k1x n GLN 32 Cb 0.31 -1.50 0.33 0.00 0.11 0.00 0.00 30.24 29.50 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 -1.40 1.40 0.28 1.08 8.25 -1.26 -4.23 115.22 119.33 3k1x n HIS 33 Ca 0.10 -0.66 0.03 0.00 -0.26 0.00 0.00 57.72 56.93 3k1x n HIS 33 Cb 0.30 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 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 0.72 0.00 -2.47 1.59 -5.35 -1.24 -2.94 119.36 109.68 3k1x n ILE 34 Ca 0.24 -0.42 -0.43 0.00 -0.27 0.00 0.00 62.75 61.87 3k1x n ILE 34 Cb 0.90 1.06 -0.02 0.00 -1.74 0.00 0.00 39.64 39.83 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 -1.16 3.95 0.00 6.28 1.11 -1.26 -4.49 119.66 124.10 3k1x s GLN 35 Ca 0.05 1.22 0.07 0.00 0.01 0.00 0.00 55.36 56.70 3k1x s GLN 35 Cb 0.05 -3.85 -0.02 0.00 -1.01 0.00 0.00 33.01 28.18 3k1x s GLN 35 CO 0.18 -1.07 -0.21 -0.51 0.01 0.00 0.00 175.29 173.69 3k1x s LEU 36 N 4.20 2.08 -0.26 2.90 1.43 -0.09 -1.24 118.68 127.70 3k1x s LEU 36 Ca 0.54 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 3k1x s LEU 36 Cb -0.16 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 3k1x s LEU 36 CO 0.21 0.23 0.06 -1.58 0.23 0.00 0.00 176.35 175.51 3k1x s GLN 37 N -0.70 3.46 -0.01 1.70 2.00 0.19 0.56 119.66 126.87 3k1x s GLN 37 Ca 0.08 -0.60 -0.15 0.00 -2.00 0.00 0.00 55.36 52.68 3k1x s GLN 37 Cb -0.08 -3.31 -0.06 0.00 0.80 0.00 0.00 33.01 30.36 3k1x s GLN 37 CO -0.00 -0.27 0.42 -0.51 -0.50 0.00 0.00 175.29 174.44 3k1x s LEU 38 N 1.57 4.46 0.05 3.68 1.02 -1.26 -1.40 118.68 126.80 3k1x s LEU 38 Ca 0.05 0.97 0.01 0.00 0.02 0.00 0.00 54.13 55.18 3k1x s LEU 38 Cb -0.16 -2.61 -0.03 0.00 0.02 0.00 0.00 46.19 43.41 3k1x s LEU 38 CO 0.03 0.29 -0.05 -0.94 0.02 0.00 0.00 176.35 175.70 3k1x s SER 39 N -0.93 0.61 -0.13 2.29 1.04 -0.91 -4.88 113.70 110.79 3k1x s SER 39 Ca 0.24 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3k1x s SER 39 Cb -0.17 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 3k1x s SER 39 CO 0.13 -0.38 -0.14 0.00 0.98 0.00 0.00 173.24 173.84 3k1x s ALA 40 N -2.40 2.59 0.00 5.32 0.00 -1.26 -0.51 121.76 125.51 3k1x s ALA 40 Ca -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.02 3k1x s ALA 40 Cb -0.03 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.89 3k1x s ALA 40 CO -0.03 0.24 0.08 0.39 0.00 0.00 0.00 175.76 176.44 3k1x n GLU 41 N 3.54 0.00 -2.67 0.00 1.02 -1.05 -4.94 120.64 116.54 3k1x n GLU 41 Ca -0.18 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.71 3k1x n GLU 41 Cb 0.53 -0.41 0.02 0.00 -0.02 0.00 0.00 31.44 31.55 3k1x n GLU 41 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3k1x s SER 42 N -1.47 5.69 0.21 1.62 0.01 -1.26 -5.00 113.70 113.50 3k1x s SER 42 Ca 0.00 0.49 -0.32 0.00 1.31 0.00 0.00 55.95 57.43 3k1x s SER 42 Cb 0.00 -1.59 -0.13 0.00 0.21 0.00 0.00 66.02 64.50 3k1x s SER 42 CO 0.00 -0.90 1.56 0.52 0.41 0.00 0.00 173.24 174.83 3k1x n VAL 43 N -2.34 0.39 -0.78 3.43 0.31 -1.26 -1.84 118.33 116.24 3k1x n VAL 43 Ca 0.03 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3k1x n VAL 43 Cb 0.58 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 3k1x n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k1x n GLY 44 N 2.99 0.99 3.57 2.92 0.00 -1.26 -5.02 105.19 109.38 3k1x n GLY 44 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.19 3.42 0.05 1.61 2.02 -0.77 0.46 118.70 125.30 3k1x s GLU 45 Ca 0.00 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.53 3k1x s GLU 45 Cb 0.00 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 3k1x s GLU 45 CO 0.00 0.42 -0.06 0.14 0.02 0.00 0.00 175.26 175.78 3k1x s VAL 46 N -0.10 0.41 -0.08 2.63 -7.23 -0.10 -2.54 120.40 113.39 3k1x s VAL 46 Ca 0.03 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 58.85 3k1x s VAL 46 Cb -0.13 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 3k1x s VAL 46 CO 0.02 -0.60 0.10 -0.31 -0.31 0.00 0.00 175.10 174.01 3k1x s TYR 47 N -2.21 3.44 -0.27 2.82 2.02 0.34 -1.77 117.35 121.72 3k1x s TYR 47 Ca -0.05 0.38 0.01 0.00 -0.37 0.00 0.00 57.07 57.04 3k1x s TYR 47 Cb -0.04 -1.86 0.05 0.00 -0.40 0.00 0.00 41.96 39.71 3k1x s TYR 47 CO -0.03 0.63 -0.07 0.42 -1.57 0.00 0.00 175.55 174.94 3k1x s ILE 48 N -1.06 2.53 -0.11 2.71 1.01 -1.26 -2.13 121.20 122.89 3k1x s ILE 48 Ca 0.17 -1.42 0.03 0.00 0.00 0.00 0.00 60.65 59.43 3k1x s ILE 48 Cb -0.12 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 3k1x s ILE 48 CO 0.07 0.02 -0.21 -0.75 0.00 0.00 0.00 174.94 174.07 3k1x s LYS 49 N 1.20 3.12 0.04 2.79 2.20 -0.49 -0.38 119.74 128.21 3k1x s LYS 49 Ca -0.05 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.42 3k1x s LYS 49 Cb -0.19 -2.40 -0.09 0.00 -1.51 0.00 0.00 37.83 33.64 3k1x s LYS 49 CO -0.04 0.16 1.96 0.45 -0.36 0.00 0.00 175.35 177.52 3k1x n SER 50 N 3.60 4.12 0.18 1.43 2.88 0.16 0.56 113.62 126.54 3k1x n SER 50 Ca -0.19 0.91 0.05 0.00 -1.33 0.00 0.00 58.87 58.31 3k1x n SER 50 Cb 0.53 -1.52 0.30 0.00 -0.75 0.00 0.00 64.21 62.77 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 5.55 0.92 -0.22 2.46 1.35 -1.51 -0.51 112.91 120.96 3k1x h THR 51 Ca -0.50 -1.62 -0.09 0.00 -0.55 0.00 0.00 66.41 63.66 3k1x h THR 51 Cb 1.24 1.98 -0.00 0.00 -1.73 0.00 0.00 68.15 69.64 3k1x h THR 51 CO 0.94 0.39 -0.21 -0.08 -0.25 0.00 0.00 175.52 176.32 3k1x h GLU 52 N 0.00 0.52 -0.01 4.72 4.57 -1.79 -3.35 114.58 119.25 3k1x h GLU 52 Ca -0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3k1x h GLU 52 Cb 0.95 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 3k1x h GLU 52 CO 0.05 0.85 -0.16 0.25 -1.18 0.00 0.00 179.01 178.83 3k1x n THR 53 N -4.42 0.00 -0.93 0.32 -2.24 -1.23 -4.99 114.28 100.79 3k1x n THR 53 Ca -0.05 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3k1x n THR 53 Cb 0.41 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 0.80 0.07 3.81 3.38 0.00 -0.20 -4.99 105.19 108.06 3k1x n GLY 54 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.61 3.92 -0.13 1.61 -0.21 -1.25 -4.80 119.66 117.19 3k1x s GLN 55 Ca 0.00 1.25 -0.03 0.00 0.02 0.00 0.00 55.36 56.60 3k1x s GLN 55 Cb 0.00 -2.12 -0.03 0.00 1.00 0.00 0.00 33.01 31.86 3k1x s GLN 55 CO 0.00 -0.31 -0.02 0.71 -2.12 0.00 0.00 175.29 173.55 3k1x s TYR 56 N -2.11 3.07 0.30 0.91 1.51 0.14 -0.67 117.35 120.50 3k1x s TYR 56 Ca 0.65 -0.11 -0.28 0.00 -1.01 0.00 0.00 57.07 56.32 3k1x s TYR 56 Cb -0.13 -1.90 -0.14 0.00 -0.11 0.00 0.00 41.96 39.68 3k1x s TYR 56 CO 0.19 0.15 1.11 -0.11 -1.11 0.00 0.00 175.55 175.78 3k1x n LEU 57 N 3.04 2.35 -3.70 -1.29 7.94 0.49 -0.26 117.00 125.57 3k1x n LEU 57 Ca -0.18 1.19 -0.10 0.00 -1.11 0.00 0.00 56.01 55.81 3k1x n LEU 57 Cb 0.53 -1.35 -0.03 0.00 0.53 0.00 0.00 43.42 43.09 3k1x n LEU 57 CO 0.31 -1.09 0.29 0.00 -1.11 0.00 0.00 177.39 175.79 3k1x s ALA 58 N -1.00 -1.03 -0.06 1.96 0.00 -0.11 -4.43 121.76 117.10 3k1x s ALA 58 Ca 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 3k1x s ALA 58 Cb -0.67 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.33 3k1x s ALA 58 CO 0.60 -0.80 0.00 1.41 0.00 0.00 0.00 175.76 176.97 3k1x s MET 59 N -3.86 0.53 0.83 0.00 1.75 -0.90 -0.93 119.30 116.71 3k1x s MET 59 Ca 0.08 0.10 -0.13 0.00 -1.25 0.00 0.00 55.69 54.48 3k1x s MET 59 Cb -0.01 -0.83 0.19 0.00 2.84 0.00 0.00 34.83 37.02 3k1x s MET 59 CO -0.04 -0.25 1.13 -0.40 -0.65 0.00 0.00 175.02 174.81 3k1x n ASP 60 N 4.84 0.16 0.02 1.11 5.68 0.11 -4.83 116.55 123.64 3k1x n ASP 60 Ca -0.12 -1.45 0.05 0.00 -0.50 0.00 0.00 54.79 52.77 3k1x n ASP 60 Cb 0.50 -0.85 0.25 0.00 -1.14 0.00 0.00 41.12 39.87 3k1x n ASP 60 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3k1x n THR 61 N -3.52 1.31 0.01 2.12 -2.24 -1.26 -1.40 114.28 109.30 3k1x n THR 61 Ca 0.14 0.36 0.08 0.00 -2.27 0.00 0.00 64.05 62.36 3k1x n THR 61 Cb 0.50 -1.23 0.17 0.00 -2.10 0.00 0.00 70.33 67.67 3k1x n THR 61 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k1x n ASP 62 N -1.62 3.03 0.00 3.42 9.92 -1.26 -4.98 116.55 125.05 3k1x n ASP 62 Ca 0.02 -1.90 0.00 0.00 -0.53 0.00 0.00 54.79 52.38 3k1x n ASP 62 Cb 0.11 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 3k1x n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k1x n GLY 63 N 0.92 0.72 3.77 0.44 0.00 -0.49 -4.69 105.19 105.85 3k1x n GLY 63 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3k1x n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1x s LEU 64 N 0.00 4.40 0.12 0.99 1.02 -1.26 -0.74 118.68 123.22 3k1x s LEU 64 Ca 0.00 1.05 -0.29 0.00 0.02 0.00 0.00 54.13 54.90 3k1x s LEU 64 Cb 0.00 -2.80 -0.06 0.00 0.02 0.00 0.00 46.19 43.35 3k1x s LEU 64 CO 0.00 0.14 0.94 -0.76 0.02 0.00 0.00 176.35 176.68 3k1x s LEU 65 N -0.25 4.51 0.12 1.79 1.43 -1.26 0.09 118.68 125.11 3k1x s LEU 65 Ca 0.28 1.77 -0.06 0.00 -1.03 0.00 0.00 54.13 55.09 3k1x s LEU 65 Cb -0.17 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 3k1x s LEU 65 CO 0.15 -0.03 0.17 -0.72 0.23 0.00 0.00 176.35 176.14 3k1x s TYR 66 N -0.14 0.41 -0.36 0.29 -0.85 -0.11 -4.41 117.35 112.18 3k1x s TYR 66 Ca 0.45 -0.83 -0.29 0.00 -0.52 0.00 0.00 57.07 55.88 3k1x s TYR 66 Cb -0.23 -0.18 0.02 0.00 0.38 0.00 0.00 41.96 41.95 3k1x s TYR 66 CO 0.29 -0.58 1.11 0.20 -1.52 0.00 0.00 175.55 175.05 3k1x s GLY 67 N -2.94 1.47 -0.19 5.49 0.00 -0.09 -0.94 107.32 110.13 3k1x s GLY 67 Ca 0.13 -0.16 -0.15 0.00 0.00 0.00 0.00 44.72 44.54 3k1x s GLY 67 CO -0.05 2.33 0.35 -0.45 0.00 0.00 0.00 173.10 175.28 3k1x s SER 68 N 1.94 6.43 0.37 1.64 0.15 0.64 -4.64 113.70 120.22 3k1x s SER 68 Ca 0.47 0.50 0.27 0.00 0.70 0.00 0.00 55.95 57.89 3k1x s SER 68 Cb -0.11 -2.21 1.01 0.00 -1.71 0.00 0.00 66.02 63.00 3k1x s SER 68 CO 0.20 -0.01 1.80 1.56 1.20 0.00 0.00 173.24 178.00 3k1x h GLN 69 N 7.13 0.00 -5.25 5.44 4.20 -1.90 0.41 115.11 125.14 3k1x h GLN 69 Ca -0.38 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 57.95 3k1x h GLN 69 Cb 1.16 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.76 3k1x h GLN 69 CO 0.73 0.00 -0.75 0.95 -0.67 0.00 0.00 178.83 179.09 3k1x s THR 70 N -3.39 1.18 0.22 -0.54 -4.23 -1.26 -4.80 115.64 102.81 3k1x s THR 70 Ca 0.05 -1.66 -0.30 0.00 -1.18 0.00 0.00 61.69 58.60 3k1x s THR 70 Cb 0.09 -1.43 -0.08 0.00 1.34 0.00 0.00 72.50 72.41 3k1x s THR 70 CO 0.50 -0.45 1.03 -2.16 -0.54 0.00 0.00 174.62 173.00 3k1x s PRO 71 N -2.64 4.70 0.33 3.99 0.04 -1.26 -4.83 135.00 135.33 3k1x s PRO 71 Ca 0.07 1.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 3k1x s PRO 71 Cb -0.05 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.26 3k1x s PRO 71 CO 0.02 0.27 0.58 0.27 0.04 0.00 0.00 177.00 178.18 3k1x n ASN 72 N 1.83 -1.68 0.32 6.66 2.04 -1.26 -5.04 115.26 118.13 3k1x n ASN 72 Ca 0.00 -2.46 0.20 0.00 -0.44 0.00 0.00 54.58 51.88 3k1x n ASN 72 Cb 0.46 2.89 1.03 0.00 -2.53 0.00 0.00 39.78 41.64 3k1x n ASN 72 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 3k1x h GLU 73 N 0.00 0.00 0.00 -3.83 4.11 -1.99 -1.72 114.58 111.15 3k1x h GLU 73 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3k1x h GLU 73 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3k1x h GLU 73 CO 0.35 0.01 0.00 0.39 0.07 0.00 0.00 179.01 179.83 3k1x n GLU 74 N -3.21 0.95 0.00 1.06 1.02 -1.26 -3.26 120.64 115.94 3k1x n GLU 74 Ca -0.02 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.22 3k1x n GLU 74 Cb 0.14 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.18 4.08 0.06 0.00 2.96 -1.20 -4.42 118.68 117.97 3k1x s LEU 76 Ca 0.18 0.57 0.10 0.00 -0.22 0.00 0.00 54.13 54.75 3k1x s LEU 76 Cb 0.16 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 3k1x s LEU 76 CO 0.46 -0.26 -0.27 -0.36 -1.32 0.00 0.00 176.35 174.60 3k1x s PHE 77 N 2.12 2.32 -0.37 5.38 0.08 -0.73 -0.88 117.98 125.91 3k1x s PHE 77 Ca 0.22 -0.41 -0.21 0.00 0.12 0.00 0.00 56.93 56.65 3k1x s PHE 77 Cb -0.16 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 3k1x s PHE 77 CO 0.09 0.16 0.69 -0.51 -0.10 0.00 0.00 175.22 175.56 3k1x s LEU 78 N -1.38 4.22 -0.23 -0.37 1.43 0.10 -0.92 118.68 121.53 3k1x s LEU 78 Ca 0.12 0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 53.17 3k1x s LEU 78 Cb -0.10 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 3k1x s LEU 78 CO 0.03 -0.66 0.76 -0.70 0.23 0.00 0.00 176.35 176.00 3k1x s GLU 79 N 2.87 4.18 -0.09 1.70 2.12 0.17 -1.75 118.70 127.89 3k1x s GLU 79 Ca 0.27 0.81 0.01 0.00 0.36 0.00 0.00 54.97 56.41 3k1x s GLU 79 Cb -0.14 -3.63 0.02 0.00 0.26 0.00 0.00 34.13 30.64 3k1x s GLU 79 CO 0.16 -0.44 -0.09 1.03 -0.54 0.00 0.00 175.26 175.38 3k1x s ARG 80 N 2.59 1.52 0.27 4.30 1.81 -0.18 -4.75 118.95 124.52 3k1x s ARG 80 Ca 0.32 -0.29 -0.30 0.00 -1.72 0.00 0.00 55.73 53.74 3k1x s ARG 80 Cb -0.15 -1.47 -0.10 0.00 -0.45 0.00 0.00 34.95 32.78 3k1x s ARG 80 CO 0.08 -0.16 1.45 -1.17 -0.68 0.00 0.00 175.30 174.83 3k1x s LEU 81 N 1.31 4.38 0.04 2.53 0.20 -1.26 -0.31 118.68 125.56 3k1x s LEU 81 Ca -0.03 2.74 0.00 0.00 0.69 0.00 0.00 54.13 57.54 3k1x s LEU 81 Cb -0.14 -3.63 -0.04 0.00 -0.43 0.00 0.00 46.19 41.95 3k1x s LEU 81 CO -0.04 -0.73 0.12 -0.70 -0.29 0.00 0.00 176.35 174.72 3k1x s GLU 82 N -0.67 3.15 0.00 1.98 2.56 0.53 -4.88 118.70 121.37 3k1x s GLU 82 Ca 0.58 -0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.03 3k1x s GLU 82 Cb -0.43 -2.89 0.00 0.00 2.00 0.00 0.00 34.13 32.81 3k1x s GLU 82 CO 0.46 0.62 0.00 0.39 -0.56 0.00 0.00 175.26 176.17 3k1x n GLU 83 N 0.70 0.00 0.00 4.30 1.02 -1.26 0.07 120.64 125.47 3k1x n GLU 83 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3k1x n GLU 83 Cb 0.52 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 3k1x n GLU 83 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3k1x n ASN 84 N 1.21 2.11 0.00 1.62 3.02 -1.26 -5.03 115.26 116.92 3k1x n ASN 84 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3k1x n ASN 84 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -2.17 0.00 -2.55 3.10 8.25 0.11 -5.07 115.22 116.90 3k1x n HIS 85 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3k1x n HIS 85 Cb 0.30 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 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 -3.19 3.52 0.14 4.41 4.12 -1.26 -4.73 117.35 120.35 3k1x s TYR 86 Ca 0.00 1.11 0.04 0.00 0.02 0.00 0.00 57.07 58.25 3k1x s TYR 86 Cb 0.00 -2.52 -0.04 0.00 -1.52 0.00 0.00 41.96 37.88 3k1x s TYR 86 CO 0.00 -0.29 0.11 -0.80 0.02 0.00 0.00 175.55 174.59 3k1x s ASN 87 N -3.53 5.49 0.20 2.29 0.01 0.64 -0.35 114.94 119.68 3k1x s ASN 87 Ca 0.52 -0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.62 3k1x s ASN 87 Cb -0.10 -1.43 -0.04 0.00 0.41 0.00 0.00 41.25 40.09 3k1x s ASN 87 CO 0.38 0.10 0.22 0.42 -1.51 0.00 0.00 177.10 176.72 3k1x s THR 88 N -1.63 4.79 -0.27 1.60 -4.23 0.57 -1.22 115.64 115.25 3k1x s THR 88 Ca 0.30 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.73 3k1x s THR 88 Cb -0.11 -3.51 0.08 0.00 1.34 0.00 0.00 72.50 70.30 3k1x s THR 88 CO 0.23 -0.21 0.06 -0.31 -0.54 0.00 0.00 174.62 173.86 3k1x s TYR 89 N -1.89 1.58 -0.07 3.99 1.51 -1.26 -1.01 117.35 120.21 3k1x s TYR 89 Ca 0.33 -1.49 -0.03 0.00 -1.01 0.00 0.00 57.07 54.87 3k1x s TYR 89 Cb -0.10 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 3k1x s TYR 89 CO 0.26 -0.79 0.09 -1.50 -1.11 0.00 0.00 175.55 172.50 3k1x s ILE 90 N 1.66 4.97 -0.01 2.71 2.07 -0.72 -0.63 121.20 131.26 3k1x s ILE 90 Ca 0.05 -0.13 -0.35 0.00 -1.41 0.00 0.00 60.65 58.82 3k1x s ILE 90 Cb -0.17 -3.20 -0.13 0.00 0.13 0.00 0.00 42.46 39.09 3k1x s ILE 90 CO -0.18 0.51 1.71 -0.24 -1.91 0.00 0.00 174.94 174.82 3k1x n SER 91 N 1.68 3.02 -0.09 4.50 2.88 0.11 -0.00 113.62 125.72 3k1x n SER 91 Ca -0.17 1.04 -0.12 0.00 -1.33 0.00 0.00 58.87 58.29 3k1x n SER 91 Cb 0.54 -1.35 -0.04 0.00 -0.75 0.00 0.00 64.21 62.61 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 7.39 0.55 -0.74 -1.46 3.64 -1.33 0.20 116.57 124.81 3k1x h LYS 92 Ca -0.47 -0.24 0.04 0.00 -1.27 0.00 0.00 60.65 58.71 3k1x h LYS 92 Cb 1.28 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 3k1x h LYS 92 CO 0.91 0.80 0.46 -0.22 -2.27 0.00 0.00 179.45 179.13 3k1x h LYS 93 N 0.28 0.85 -0.55 1.90 3.64 -1.76 -2.84 116.57 118.09 3k1x h LYS 93 Ca 0.06 -0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 3k1x h LYS 93 Cb 0.63 -0.19 -0.18 0.00 -0.41 0.00 0.00 32.23 32.08 3k1x h LYS 93 CO 0.04 0.56 0.08 0.72 -2.27 0.00 0.00 179.45 178.59 3k1x n HIS 94 N -4.66 1.73 -0.32 1.91 8.25 -1.20 -4.71 115.22 116.22 3k1x n HIS 94 Ca 0.09 -1.79 0.01 0.00 -0.26 0.00 0.00 57.72 55.77 3k1x n HIS 94 Cb 0.12 -0.64 0.18 0.00 1.12 0.00 0.00 29.99 30.77 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 1.12 1.40 0.00 -1.41 0.00 -0.69 -1.14 119.26 118.54 3k1x h ALA 95 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3k1x h ALA 95 Cb 1.86 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3k1x h ALA 95 CO 0.64 0.52 0.00 -0.85 0.00 0.00 0.00 179.25 179.56 3k1x n GLU 96 N -4.43 0.08 -0.21 0.00 0.00 -1.26 -1.29 120.64 113.52 3k1x n GLU 96 Ca 0.12 0.43 0.09 0.00 0.00 0.00 0.00 57.16 57.80 3k1x n GLU 96 Cb 0.08 -1.68 0.20 0.00 0.00 0.00 0.00 31.44 30.04 3k1x n GLU 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3k1x n LYS 97 N -1.83 2.50 -3.90 3.44 5.02 -0.44 -5.02 118.16 117.93 3k1x n LYS 97 Ca 0.01 -2.18 -0.37 0.00 -2.02 0.00 0.00 58.31 53.75 3k1x n LYS 97 Cb 0.11 -1.40 0.02 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.05 -4.69 -4.50 4.39 4.13 -0.41 -4.94 115.26 110.30 3k1x n ASN 98 Ca 0.16 -1.12 -0.42 0.00 1.68 0.00 0.00 54.58 54.87 3k1x n ASN 98 Cb 0.50 -2.14 -0.09 0.00 -1.54 0.00 0.00 39.78 36.52 3k1x n ASN 98 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3k1x s TRP 99 N -3.37 3.19 0.11 3.10 0.51 -1.23 -4.65 118.94 116.60 3k1x s TRP 99 Ca 0.36 -0.30 0.03 0.00 -2.12 0.00 0.00 56.10 54.07 3k1x s TRP 99 Cb -0.18 -2.78 -0.04 0.00 -0.81 0.00 0.00 33.47 29.66 3k1x s TRP 99 CO 0.93 -0.61 0.16 -0.06 -0.51 0.00 0.00 176.95 176.86 3k1x s PHE 100 N 2.04 3.32 0.17 -1.98 0.40 -1.26 0.04 117.98 120.70 3k1x s PHE 100 Ca 0.11 0.10 -0.32 0.00 -0.60 0.00 0.00 56.93 56.23 3k1x s PHE 100 Cb -0.17 -1.64 -0.11 0.00 0.51 0.00 0.00 43.02 41.61 3k1x s PHE 100 CO 0.13 0.54 1.71 0.08 0.70 0.00 0.00 175.22 178.38 3k1x s VAL 101 N -1.57 2.34 -0.10 -0.44 1.01 0.20 -4.54 120.40 117.30 3k1x s VAL 101 Ca 0.32 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 3k1x s VAL 101 Cb -0.12 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.20 3k1x s VAL 101 CO 0.25 0.01 0.26 -0.83 0.00 0.00 0.00 175.10 174.79 3k1x s GLY 102 N 1.64 -0.19 -0.07 4.51 0.00 -1.26 -4.38 107.32 107.57 3k1x s GLY 102 Ca 0.75 0.76 -0.00 0.00 0.00 0.00 0.00 44.72 46.23 3k1x s GLY 102 CO 0.33 0.69 -0.02 1.08 0.00 0.00 0.00 173.10 175.18 3k1x s LEU 103 N 0.23 3.43 0.79 0.66 1.43 -0.52 -0.04 118.68 124.65 3k1x s LEU 103 Ca -0.01 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.04 3k1x s LEU 103 Cb -0.02 -1.80 0.07 0.00 0.03 0.00 0.00 46.19 44.46 3k1x s LEU 103 CO -0.00 0.36 1.12 -0.54 0.23 0.00 0.00 176.35 177.51 3k1x s LYS 104 N -0.97 2.14 0.61 1.70 1.02 0.16 -4.45 119.74 119.96 3k1x s LYS 104 Ca 0.14 0.42 0.36 0.00 0.02 0.00 0.00 55.97 56.91 3k1x s LYS 104 Cb -0.11 -1.94 2.03 0.00 -0.52 0.00 0.00 37.83 37.28 3k1x s LYS 104 CO 0.03 -1.53 2.28 0.87 -0.92 0.00 0.00 175.35 176.08 3k1x h LYS 105 N -1.02 0.00 -0.29 1.68 1.57 -1.87 0.11 116.57 116.76 3k1x h LYS 105 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3k1x h LYS 105 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3k1x h LYS 105 CO 0.62 0.01 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 3k1x n ASN 106 N -3.47 2.15 0.00 0.86 6.94 -1.26 -4.55 115.26 115.92 3k1x n ASN 106 Ca -0.03 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 3k1x n ASN 106 Cb 0.10 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 3k1x n ASN 106 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3k1x n GLY 107 N 1.21 0.85 3.77 4.83 0.00 0.37 -4.98 105.19 111.24 3k1x n GLY 107 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.01 7.42 0.75 1.61 0.01 -1.26 0.04 113.70 119.26 3k1x s SER 108 Ca 0.00 1.68 -0.14 0.00 1.31 0.00 0.00 55.95 58.80 3k1x s SER 108 Cb 0.00 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.76 3k1x s SER 108 CO 0.00 0.16 1.20 0.00 0.41 0.00 0.00 173.24 175.01 3k1x s LYS 110 N -4.00 3.52 0.21 0.00 -0.14 0.94 -4.63 119.74 115.63 3k1x s LYS 110 Ca 0.73 -0.34 -0.22 0.00 -1.36 0.00 0.00 55.97 54.78 3k1x s LYS 110 Cb -0.28 -2.84 -0.08 0.00 -1.68 0.00 0.00 37.83 32.94 3k1x s LYS 110 CO 0.47 0.40 0.76 1.03 -0.76 0.00 0.00 175.35 177.25 3k1x s ARG 111 N -3.31 4.40 0.27 1.68 0.52 -1.26 -4.59 118.95 116.65 3k1x s ARG 111 Ca 0.38 1.02 -0.04 0.00 -0.52 0.00 0.00 55.73 56.57 3k1x s ARG 111 Cb -0.11 -3.03 0.54 0.00 0.52 0.00 0.00 34.95 32.87 3k1x s ARG 111 CO 0.29 0.46 1.62 0.78 0.02 0.00 0.00 175.30 178.46 3k1x h GLY 112 N 3.77 0.97 2.00 -3.53 0.00 -1.17 -0.29 103.07 104.83 3k1x h GLY 112 Ca -0.48 0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3k1x h GLY 112 CO 0.65 -0.36 0.00 -1.55 0.00 0.00 0.00 176.54 175.29 3k1x n PRO 113 N -5.39 0.11 0.00 4.80 -0.04 -1.26 -1.44 135.00 131.78 3k1x n PRO 113 Ca 0.17 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 3k1x n PRO 113 Cb 0.56 -1.70 0.24 0.00 -0.04 0.00 0.00 33.50 32.56 3k1x n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3k1x n ARG 114 N -1.90 0.61 -3.30 0.54 5.12 -0.15 -4.89 116.66 112.69 3k1x n ARG 114 Ca 0.03 -0.41 -0.31 0.00 -1.93 0.00 0.00 57.85 55.24 3k1x n ARG 114 Cb 0.22 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 29.98 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 -2.66 4.91 0.03 0.55 -4.23 -0.52 -4.94 115.64 108.78 3k1x s THR 115 Ca 0.19 0.44 -0.21 0.00 -1.18 0.00 0.00 61.69 60.93 3k1x s THR 115 Cb 0.18 -3.66 0.04 0.00 1.34 0.00 0.00 72.50 70.41 3k1x s THR 115 CO 0.60 -0.20 0.47 -2.28 -0.54 0.00 0.00 174.62 172.68 3k1x s HIS 116 N -1.97 -0.36 -0.07 3.99 5.04 -1.26 -4.80 115.29 115.87 3k1x s HIS 116 Ca 0.48 0.42 -0.36 0.00 -1.54 0.00 0.00 55.06 54.06 3k1x s HIS 116 Cb -0.11 0.27 -0.17 0.00 0.04 0.00 0.00 32.58 32.61 3k1x s HIS 116 CO 0.24 -0.59 1.00 0.66 -2.34 0.00 0.00 174.74 173.71 3k1x n TYR 117 N 0.58 0.70 0.00 3.88 4.02 -1.26 -2.27 117.16 122.81 3k1x n TYR 117 Ca -0.19 0.93 0.00 0.00 -0.01 0.00 0.00 57.90 58.63 3k1x n TYR 117 Cb 0.59 -1.83 0.00 0.00 -0.02 0.00 0.00 39.34 38.08 3k1x n TYR 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k1x n GLY 118 N 1.63 2.10 3.76 2.72 0.00 -1.26 -5.06 105.19 109.08 3k1x n GLY 118 Ca 0.19 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 4.52 0.35 1.61 -0.21 -0.96 -4.93 119.66 120.03 3k1x s GLN 119 Ca 0.00 1.73 0.10 0.00 0.02 0.00 0.00 55.36 57.22 3k1x s GLN 119 Cb 0.00 -3.03 0.63 0.00 1.00 0.00 0.00 33.01 31.61 3k1x s GLN 119 CO 0.00 0.12 1.79 -0.22 -2.12 0.00 0.00 175.29 174.86 3k1x h LYS 120 N 3.48 0.11 -1.51 2.91 3.64 -1.97 -3.09 116.57 120.15 3k1x h LYS 120 Ca -0.47 -0.04 0.44 0.00 -1.27 0.00 0.00 60.65 59.31 3k1x h LYS 120 Cb 1.21 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.95 3k1x h LYS 120 CO 0.66 0.46 1.06 0.00 -2.27 0.00 0.00 179.45 179.36 3k1x h ALA 121 N 1.54 3.29 -0.45 5.00 0.00 -1.92 -2.26 119.26 124.46 3k1x h ALA 121 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k1x h ALA 121 Cb 0.68 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3k1x h ALA 121 CO 0.05 -1.77 0.00 0.44 0.00 0.00 0.00 179.25 177.97 3k1x n ILE 122 N -4.20 0.59 -4.10 0.00 -5.35 -1.17 -1.44 119.36 103.69 3k1x n ILE 122 Ca 0.35 -0.74 -0.35 0.00 -0.27 0.00 0.00 62.75 61.74 3k1x n ILE 122 Cb 1.55 0.72 -0.13 0.00 -1.74 0.00 0.00 39.64 40.05 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 -1.33 3.07 -0.05 7.28 1.43 -0.85 -4.21 118.68 124.01 3k1x s LEU 123 Ca 0.40 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3k1x s LEU 123 Cb 0.22 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.68 3k1x s LEU 123 CO 0.30 0.05 -0.13 -0.36 0.23 0.00 0.00 176.35 176.44 3k1x s PHE 124 N 1.09 1.43 -0.36 0.29 0.40 -0.36 -3.22 117.98 117.26 3k1x s PHE 124 Ca 0.02 -0.47 -0.17 0.00 -0.60 0.00 0.00 56.93 55.71 3k1x s PHE 124 Cb -0.15 -1.02 -0.00 0.00 0.51 0.00 0.00 43.02 42.37 3k1x s PHE 124 CO 0.00 -0.21 0.45 -1.17 0.70 0.00 0.00 175.22 174.99 3k1x s LEU 125 N 0.40 4.45 0.28 -0.37 2.96 0.71 -0.26 118.68 126.85 3k1x s LEU 125 Ca -0.09 -0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.32 3k1x s LEU 125 Cb -0.13 -2.46 -0.10 0.00 0.50 0.00 0.00 46.19 44.00 3k1x s LEU 125 CO 0.03 -0.44 1.27 -2.16 -1.32 0.00 0.00 176.35 173.73 3k1x s PRO 126 N 2.22 4.41 -0.32 0.98 0.04 -1.26 -1.66 135.00 139.41 3k1x s PRO 126 Ca 0.15 2.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 3k1x s PRO 126 Cb -0.16 -3.13 0.11 0.00 0.04 0.00 0.00 34.50 31.36 3k1x s PRO 126 CO 0.13 -0.14 0.15 -0.51 0.04 0.00 0.00 177.00 176.67 3k1x s LEU 127 N -1.19 1.20 0.02 -3.56 2.01 -0.18 -4.95 118.68 112.02 3k1x s LEU 127 Ca 0.51 -1.70 -0.30 0.00 0.01 0.00 0.00 54.13 52.65 3k1x s LEU 127 Cb -0.37 -0.53 -0.06 0.00 0.01 0.00 0.00 46.19 45.23 3k1x s LEU 127 CO 0.46 -0.39 1.46 -2.84 1.01 0.00 0.00 176.35 176.05 3k1x s PRO 128 N 1.60 4.26 0.23 1.29 0.02 -1.26 -1.44 135.00 139.71 3k1x s PRO 128 Ca 0.12 2.05 -0.30 0.00 0.02 0.00 0.00 61.00 62.90 3k1x s PRO 128 Cb -0.19 -3.57 -0.09 0.00 0.02 0.00 0.00 34.50 30.67 3k1x s PRO 128 CO -0.22 -0.61 0.97 0.14 -0.33 0.00 0.00 177.00 176.95 3k1x s VAL 129 N 2.44 4.01 0.00 3.83 -7.23 -0.96 -4.96 120.40 117.53 3k1x s VAL 129 Ca 0.66 1.98 0.00 0.00 -1.81 0.00 0.00 61.98 62.81 3k1x s VAL 129 Cb -0.33 -4.26 0.00 0.00 0.56 0.00 0.00 36.38 32.34 3k1x s VAL 129 CO 0.28 0.46 0.00 -1.20 -0.31 0.00 0.00 175.10 174.32