#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 3.46 0.81 1.97 -2.85 -1.26 -5.09 119.74 116.78 3k1x s LYS 2 Ca 0.00 -0.53 -0.11 0.00 -1.00 0.00 0.00 55.97 54.32 3k1x s LYS 2 Cb 0.00 -2.94 0.08 0.00 -2.06 0.00 0.00 37.83 32.91 3k1x s LYS 2 CO 0.00 0.49 1.09 -2.14 0.10 0.00 0.00 175.35 174.89 3k1x s PRO 3 N -3.24 1.99 0.03 1.78 0.02 -1.26 -4.92 135.00 129.40 3k1x s PRO 3 Ca 0.35 0.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.14 3k1x s PRO 3 Cb -0.11 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 3k1x s PRO 3 CO 0.29 -1.72 -0.01 0.15 -0.33 0.00 0.00 177.00 175.37 3k1x s LYS 4 N -5.06 0.45 0.09 5.54 1.02 -0.50 -4.17 119.74 117.11 3k1x s LYS 4 Ca 0.61 -0.83 -0.09 0.00 0.02 0.00 0.00 55.97 55.68 3k1x s LYS 4 Cb -0.16 0.16 -0.06 0.00 -0.52 0.00 0.00 37.83 37.26 3k1x s LYS 4 CO 0.55 -0.08 0.40 -0.51 -0.92 0.00 0.00 175.35 174.79 3k1x s LEU 5 N -2.02 4.34 -0.44 3.17 1.43 -0.90 -1.34 118.68 122.91 3k1x s LEU 5 Ca -0.07 0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 53.70 3k1x s LEU 5 Cb -0.03 -3.03 0.09 0.00 0.03 0.00 0.00 46.19 43.24 3k1x s LEU 5 CO -0.04 0.15 0.31 -0.76 0.23 0.00 0.00 176.35 176.24 3k1x s LEU 6 N -2.01 5.38 -0.14 1.79 1.43 -1.26 -0.62 118.68 123.26 3k1x s LEU 6 Ca 0.34 -1.57 -0.17 0.00 -1.03 0.00 0.00 54.13 51.70 3k1x s LEU 6 Cb -0.14 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3k1x s LEU 6 CO 0.19 -0.60 0.42 -0.47 0.23 0.00 0.00 176.35 176.12 3k1x s TYR 7 N 1.45 3.49 -0.23 0.29 5.04 -0.04 -0.71 117.35 126.64 3k1x s TYR 7 Ca 0.04 0.79 -0.06 0.00 -2.44 0.00 0.00 57.07 55.39 3k1x s TYR 7 Cb -0.24 -2.49 -0.03 0.00 0.35 0.00 0.00 41.96 39.55 3k1x s TYR 7 CO 0.02 0.18 0.04 0.00 -1.34 0.00 0.00 175.55 174.45 3k1x h SER 9 N 8.03 0.44 -0.56 0.00 4.64 -1.73 -1.23 113.55 123.14 3k1x h SER 9 Ca -0.38 -0.03 -0.39 0.00 -0.47 0.00 0.00 61.79 60.52 3k1x h SER 9 Cb 1.17 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 3k1x h SER 9 CO 0.59 0.38 1.22 0.21 -0.87 0.00 0.00 176.83 178.36 3k1x s ASN 10 N -6.73 5.34 0.00 4.97 2.47 -1.20 -3.72 114.94 116.07 3k1x s ASN 10 Ca -0.08 -1.69 0.00 0.00 0.42 0.00 0.00 52.86 51.52 3k1x s ASN 10 Cb 0.17 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 3k1x s ASN 10 CO 0.74 -2.73 0.00 0.61 -3.72 0.00 0.00 177.10 171.99 3k1x n GLY 11 N 5.87 2.09 0.84 1.21 0.00 -1.26 -4.09 105.19 109.85 3k1x n GLY 11 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.62 3.50 -0.02 0.00 -0.49 -5.01 105.19 103.79 3k1x n GLY 12 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.54 2.66 0.11 1.61 3.76 -1.06 -4.41 115.29 115.42 3k1x s HIS 13 Ca 0.00 -0.19 -0.22 0.00 -0.15 0.00 0.00 55.06 54.50 3k1x s HIS 13 Cb 0.00 -1.52 -0.07 0.00 1.11 0.00 0.00 32.58 32.10 3k1x s HIS 13 CO 0.00 0.28 0.66 -0.06 -0.85 0.00 0.00 174.74 174.76 3k1x s PHE 14 N -0.93 3.85 0.07 1.40 0.08 -0.29 -0.07 117.98 122.08 3k1x s PHE 14 Ca 0.15 1.42 -0.31 0.00 0.12 0.00 0.00 56.93 58.32 3k1x s PHE 14 Cb -0.11 -2.61 -0.06 0.00 -0.57 0.00 0.00 43.02 39.67 3k1x s PHE 14 CO 0.06 0.55 1.18 -1.17 -0.10 0.00 0.00 175.22 175.74 3k1x s LEU 15 N -1.09 4.38 -0.08 -0.37 2.96 0.12 -1.23 118.68 123.36 3k1x s LEU 15 Ca 0.32 2.00 0.03 0.00 -0.22 0.00 0.00 54.13 56.26 3k1x s LEU 15 Cb -0.21 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.91 3k1x s LEU 15 CO 0.22 -0.45 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.03 3k1x s ARG 16 N 0.97 2.27 -0.46 1.98 3.52 -0.33 -4.34 118.95 122.55 3k1x s ARG 16 Ca 0.58 -0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 55.55 3k1x s ARG 16 Cb -0.29 -1.79 0.12 0.00 -1.56 0.00 0.00 34.95 31.43 3k1x s ARG 16 CO 0.30 0.08 0.25 0.42 -0.81 0.00 0.00 175.30 175.54 3k1x s ILE 17 N 0.55 3.23 0.59 4.11 1.01 -0.73 -2.06 121.20 127.90 3k1x s ILE 17 Ca -0.16 -2.41 -0.18 0.00 0.00 0.00 0.00 60.65 57.90 3k1x s ILE 17 Cb -0.17 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3k1x s ILE 17 CO 0.06 -0.74 1.16 -0.76 0.00 0.00 0.00 174.94 174.66 3k1x s LEU 18 N 0.70 3.64 0.60 2.97 1.43 0.24 -4.87 118.68 123.39 3k1x s LEU 18 Ca 0.11 2.23 0.28 0.00 -1.03 0.00 0.00 54.13 55.73 3k1x s LEU 18 Cb -0.22 -4.58 1.41 0.00 0.03 0.00 0.00 46.19 42.83 3k1x s LEU 18 CO -0.04 -1.47 1.82 -0.65 0.23 0.00 0.00 176.35 176.23 3k1x h PRO 19 N 0.81 0.00 -0.10 1.29 0.11 -1.98 0.50 132.00 132.63 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3k1x h PRO 19 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3k1x n ASP 20 N -3.57 1.80 0.00 -2.05 5.75 -1.26 -4.89 116.55 112.32 3k1x n ASP 20 Ca 0.09 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 3k1x n ASP 20 Cb 0.75 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 1.19 0.77 3.77 6.12 0.00 0.17 -4.90 105.19 112.30 3k1x n GLY 21 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.17 2.66 -0.11 2.61 2.01 -1.25 -0.48 115.64 118.90 3k1x s THR 22 Ca 0.00 0.55 0.03 0.00 0.31 0.00 0.00 61.69 62.58 3k1x s THR 22 Cb 0.00 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.21 3k1x s THR 22 CO 0.00 0.05 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.07 3k1x s VAL 23 N -1.34 1.95 0.00 3.82 1.01 -1.26 -0.59 120.40 123.99 3k1x s VAL 23 Ca 0.61 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3k1x s VAL 23 Cb -0.36 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3k1x s VAL 23 CO 0.45 0.53 0.00 -0.90 0.00 0.00 0.00 175.10 175.18 3k1x n ASP 24 N 3.75 0.00 -4.59 3.32 5.68 -0.87 -4.49 116.55 119.34 3k1x n ASP 24 Ca -0.20 -0.65 -0.29 0.00 -0.50 0.00 0.00 54.79 53.15 3k1x n ASP 24 Cb 0.52 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.41 3k1x n ASP 24 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3k1x s GLY 25 N -0.65 1.79 -0.02 6.12 0.00 0.17 -1.19 107.32 113.54 3k1x s GLY 25 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.46 3k1x s GLY 25 CO 0.00 -1.26 -0.07 -1.08 0.00 0.00 0.00 173.10 170.69 3k1x s THR 26 N -1.33 0.60 -0.54 0.90 -1.32 -0.36 -4.83 115.64 108.76 3k1x s THR 26 Ca 0.23 -0.26 0.23 0.00 -1.21 0.00 0.00 61.69 60.68 3k1x s THR 26 Cb -0.11 -0.55 0.23 0.00 -1.51 0.00 0.00 72.50 70.56 3k1x s THR 26 CO 0.15 0.20 1.68 0.54 -2.21 0.00 0.00 174.62 174.98 3k1x n ARG 27 N 3.37 0.17 -2.51 7.08 1.74 -1.26 -1.13 116.66 124.12 3k1x n ARG 27 Ca -0.19 0.40 -0.43 0.00 -0.77 0.00 0.00 57.85 56.87 3k1x n ARG 27 Cb 0.54 -1.83 -0.02 0.00 -1.02 0.00 0.00 32.46 30.13 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 -4.11 6.43 0.00 0.55 2.15 -1.26 -4.87 116.67 115.56 3k1x s ASP 28 Ca 0.04 0.41 0.25 0.00 0.43 0.00 0.00 52.55 53.68 3k1x s ASP 28 Cb 0.09 -2.55 1.12 0.00 -0.30 0.00 0.00 42.92 41.29 3k1x s ASP 28 CO 0.38 -1.44 1.82 -1.14 -0.17 0.00 0.00 175.17 174.62 3k1x n ARG 29 N 8.21 0.08 0.07 4.34 0.63 -1.26 -2.39 116.66 126.34 3k1x n ARG 29 Ca 0.12 0.06 -0.10 0.00 -0.92 0.00 0.00 57.85 57.01 3k1x n ARG 29 Cb 0.49 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.77 3k1x n ARG 29 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 3k1x h SER 30 N 0.00 0.13 -0.92 6.15 0.02 -1.99 -3.47 113.55 113.48 3k1x h SER 30 Ca 0.00 -0.15 -0.74 0.00 -0.84 0.00 0.00 61.79 60.06 3k1x h SER 30 Cb 0.39 -0.04 0.04 0.00 0.14 0.00 0.00 62.40 62.92 3k1x h SER 30 CO 0.00 1.11 0.16 -0.67 -1.14 0.00 0.00 176.83 176.29 3k1x n ASP 31 N -3.40 0.19 0.24 3.07 2.03 -1.01 -4.86 116.55 112.81 3k1x n ASP 31 Ca -0.03 1.07 0.16 0.00 0.52 0.00 0.00 54.79 56.51 3k1x n ASP 31 Cb 0.97 -0.84 0.64 0.00 -0.72 0.00 0.00 41.12 41.17 3k1x n ASP 31 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 3k1x h GLN 32 N 3.08 0.00 -0.46 -0.67 1.08 -1.91 -3.28 115.11 112.95 3k1x h GLN 32 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3k1x h GLN 32 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 3k1x h GLN 32 CO 0.65 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 179.25 3k1x n HIS 33 N -2.87 0.60 1.14 2.96 8.25 -1.26 -3.94 115.22 120.10 3k1x n HIS 33 Ca 0.01 -0.33 0.12 0.00 -0.26 0.00 0.00 57.72 57.26 3k1x n HIS 33 Cb 0.29 -0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.60 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 1.38 0.00 -2.82 1.59 -5.35 -1.24 -1.78 119.36 111.15 3k1x n ILE 34 Ca 0.19 -0.34 -0.42 0.00 -0.27 0.00 0.00 62.75 61.91 3k1x n ILE 34 Cb 0.57 1.08 -0.03 0.00 -1.74 0.00 0.00 39.64 39.52 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 -2.18 4.28 0.15 6.28 -0.21 -1.25 -4.39 119.66 122.33 3k1x s GLN 35 Ca 0.28 1.11 0.06 0.00 0.02 0.00 0.00 55.36 56.83 3k1x s GLN 35 Cb 0.20 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 3k1x s GLN 35 CO 0.40 -0.44 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.48 3k1x s LEU 36 N 2.52 2.46 -0.16 2.90 1.43 -0.45 -1.99 118.68 125.39 3k1x s LEU 36 Ca 0.40 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3k1x s LEU 36 Cb -0.16 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.52 3k1x s LEU 36 CO 0.10 -0.17 -0.16 -1.58 0.23 0.00 0.00 176.35 174.78 3k1x s GLN 37 N -3.06 2.50 -0.60 1.70 2.00 0.15 -1.41 119.66 120.94 3k1x s GLN 37 Ca 0.14 -0.65 -0.17 0.00 -2.00 0.00 0.00 55.36 52.67 3k1x s GLN 37 Cb -0.03 -2.26 0.13 0.00 0.80 0.00 0.00 33.01 31.65 3k1x s GLN 37 CO 0.04 -0.24 0.61 -0.51 -0.50 0.00 0.00 175.29 174.69 3k1x s LEU 38 N 1.42 5.98 -0.45 3.68 1.43 -1.26 -0.12 118.68 129.37 3k1x s LEU 38 Ca 0.05 -1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 51.23 3k1x s LEU 38 Cb -0.13 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 43.93 3k1x s LEU 38 CO -0.11 -0.91 0.34 -0.55 0.23 0.00 0.00 176.35 175.34 3k1x s SER 39 N 3.44 5.90 -0.78 2.29 0.15 0.23 -4.90 113.70 120.03 3k1x s SER 39 Ca 0.08 -1.46 -0.25 0.00 0.70 0.00 0.00 55.95 55.03 3k1x s SER 39 Cb -0.25 -2.09 0.05 0.00 -1.71 0.00 0.00 66.02 62.02 3k1x s SER 39 CO 0.02 -0.61 1.21 0.00 1.20 0.00 0.00 173.24 175.07 3k1x s ALA 40 N 1.53 2.88 0.00 5.45 0.00 -1.26 0.21 121.76 130.57 3k1x s ALA 40 Ca 0.04 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.26 3k1x s ALA 40 Cb -0.24 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.69 3k1x s ALA 40 CO 0.04 -3.19 0.00 -1.91 0.00 0.00 0.00 175.76 170.70 3k1x n GLU 41 N 8.66 0.00 -2.35 0.00 2.13 -1.24 -4.83 120.64 123.01 3k1x n GLU 41 Ca 0.08 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.54 3k1x n GLU 41 Cb 0.48 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.18 3k1x n GLU 41 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3k1x s SER 42 N -1.94 6.06 0.28 4.31 1.04 -1.26 -4.98 113.70 117.21 3k1x s SER 42 Ca 0.00 2.14 -0.07 0.00 0.48 0.00 0.00 55.95 58.50 3k1x s SER 42 Cb 0.00 -2.58 0.48 0.00 0.10 0.00 0.00 66.02 64.02 3k1x s SER 42 CO 0.00 -0.98 1.51 1.33 0.98 0.00 0.00 173.24 176.08 3k1x n VAL 43 N -0.92 -0.41 -0.28 5.02 0.24 -1.26 -1.36 118.33 119.36 3k1x n VAL 43 Ca 0.09 2.21 0.08 0.00 -2.04 0.00 0.00 64.34 64.69 3k1x n VAL 43 Cb 0.50 -3.08 0.23 0.00 -1.47 0.00 0.00 33.84 30.02 3k1x n VAL 43 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3k1x h GLY 44 N 0.00 1.29 -3.33 7.63 0.00 -1.95 -3.47 103.07 103.24 3k1x h GLY 44 Ca 0.48 -0.16 -0.49 0.00 0.00 0.00 0.00 47.33 47.16 3k1x h GLY 44 CO -0.99 -0.15 -0.47 -0.54 0.00 0.00 0.00 176.54 174.40 3k1x s GLU 45 N -5.97 3.28 0.06 4.80 2.02 -0.47 -2.25 118.70 120.17 3k1x s GLU 45 Ca -0.12 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.09 3k1x s GLU 45 Cb 0.22 -2.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 3k1x s GLU 45 CO 0.77 0.44 -0.09 0.14 0.02 0.00 0.00 175.26 176.54 3k1x s VAL 46 N -1.95 0.73 -0.19 2.63 -7.23 0.79 -3.71 120.40 111.48 3k1x s VAL 46 Ca 0.34 -1.26 -0.17 0.00 -1.81 0.00 0.00 61.98 59.08 3k1x s VAL 46 Cb -0.09 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 3k1x s VAL 46 CO 0.28 -0.40 0.47 -0.31 -0.31 0.00 0.00 175.10 174.83 3k1x s TYR 47 N -1.63 3.40 -0.52 2.82 2.02 0.56 -1.75 117.35 122.25 3k1x s TYR 47 Ca -0.05 0.74 -0.16 0.00 -0.37 0.00 0.00 57.07 57.22 3k1x s TYR 47 Cb -0.08 -2.60 0.10 0.00 -0.40 0.00 0.00 41.96 38.98 3k1x s TYR 47 CO 0.00 -0.02 0.50 0.42 -1.57 0.00 0.00 175.55 174.88 3k1x s ILE 48 N 1.35 5.14 -0.13 2.71 1.01 -1.26 0.74 121.20 130.76 3k1x s ILE 48 Ca 0.23 -1.19 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3k1x s ILE 48 Cb -0.15 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 3k1x s ILE 48 CO 0.09 -0.79 -0.01 -0.75 0.00 0.00 0.00 174.94 173.49 3k1x s LYS 49 N 1.83 3.45 0.14 2.79 2.20 0.83 -1.30 119.74 129.68 3k1x s LYS 49 Ca 0.05 -0.45 -0.32 0.00 -0.36 0.00 0.00 55.97 54.89 3k1x s LYS 49 Cb -0.26 -2.91 -0.11 0.00 -1.51 0.00 0.00 37.83 33.03 3k1x s LYS 49 CO 0.06 0.43 1.78 0.45 -0.36 0.00 0.00 175.35 177.70 3k1x n SER 50 N 2.99 3.91 0.24 1.43 2.88 0.48 0.33 113.62 125.89 3k1x n SER 50 Ca -0.18 1.02 0.14 0.00 -1.33 0.00 0.00 58.87 58.52 3k1x n SER 50 Cb 0.53 -1.53 0.35 0.00 -0.75 0.00 0.00 64.21 62.81 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 4.33 0.01 0.01 2.46 1.35 -1.71 -1.88 112.91 117.48 3k1x h THR 51 Ca -0.45 -0.84 -0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3k1x h THR 51 Cb 1.22 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 3k1x h THR 51 CO 0.94 0.01 -0.00 -0.08 -0.25 0.00 0.00 175.52 176.14 3k1x h GLU 52 N 0.00 -0.01 -0.13 4.72 4.57 -1.81 -3.41 114.58 118.51 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 0.83 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3k1x h GLU 52 CO 0.00 0.68 0.00 0.25 -1.18 0.00 0.00 179.01 178.76 3k1x n THR 53 N -4.67 1.10 -0.69 0.32 -2.24 -1.25 -4.98 114.28 101.87 3k1x n THR 53 Ca -0.07 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 3k1x n THR 53 Cb 0.33 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.20 0.03 3.83 3.38 0.00 -0.71 -4.96 105.19 106.56 3k1x n GLY 54 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.31 1.97 -0.11 1.61 -0.21 -1.25 -4.70 119.66 115.66 3k1x s GLN 55 Ca 0.00 0.45 0.03 0.00 0.02 0.00 0.00 55.36 55.86 3k1x s GLN 55 Cb 0.00 -1.92 0.01 0.00 1.00 0.00 0.00 33.01 32.09 3k1x s GLN 55 CO 0.00 -1.66 -0.21 0.71 -2.12 0.00 0.00 175.29 172.02 3k1x s TYR 56 N -3.28 2.36 0.47 0.91 1.51 0.98 -0.39 117.35 119.91 3k1x s TYR 56 Ca 0.61 -1.04 -0.25 0.00 -1.01 0.00 0.00 57.07 55.38 3k1x s TYR 56 Cb -0.13 -1.61 -0.08 0.00 -0.11 0.00 0.00 41.96 40.02 3k1x s TYR 56 CO 0.53 -0.46 1.43 -0.11 -1.11 0.00 0.00 175.55 175.83 3k1x n LEU 57 N 3.79 5.20 -3.51 -1.29 7.94 -0.42 0.11 117.00 128.82 3k1x n LEU 57 Ca -0.20 1.10 -0.15 0.00 -1.11 0.00 0.00 56.01 55.65 3k1x n LEU 57 Cb 0.52 -1.60 -0.05 0.00 0.53 0.00 0.00 43.42 42.82 3k1x n LEU 57 CO 0.27 -0.21 0.39 0.00 -1.11 0.00 0.00 177.39 176.72 3k1x s ALA 58 N -1.21 -1.60 0.02 1.96 0.00 -0.81 -4.29 121.76 115.83 3k1x s ALA 58 Ca 0.63 0.90 0.08 0.00 0.00 0.00 0.00 51.96 53.57 3k1x s ALA 58 Cb -0.44 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 3k1x s ALA 58 CO 0.56 -0.52 -0.25 1.41 0.00 0.00 0.00 175.76 176.97 3k1x s MET 59 N -2.23 1.81 0.44 0.00 1.75 0.18 -1.55 119.30 119.71 3k1x s MET 59 Ca -0.06 -0.99 0.06 0.00 -1.25 0.00 0.00 55.69 53.45 3k1x s MET 59 Cb -0.01 -1.89 0.01 0.00 2.84 0.00 0.00 34.83 35.79 3k1x s MET 59 CO 0.00 0.50 0.61 0.16 -0.65 0.00 0.00 175.02 175.65 3k1x s ASP 60 N -0.97 5.59 0.64 1.11 1.47 -0.94 -4.71 116.67 118.86 3k1x s ASP 60 Ca 0.10 -0.31 0.17 0.00 1.18 0.00 0.00 52.55 53.69 3k1x s ASP 60 Cb -0.10 -0.75 0.73 0.00 -0.34 0.00 0.00 42.92 42.47 3k1x s ASP 60 CO 0.01 -0.83 1.35 0.71 0.68 0.00 0.00 175.17 177.10 3k1x h THR 61 N 0.52 0.04 -0.39 2.11 1.35 -2.01 0.68 112.91 115.22 3k1x h THR 61 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3k1x h THR 61 Cb 1.28 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3k1x h THR 61 CO 0.47 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.21 3k1x n ASP 62 N -2.93 4.06 -1.22 5.36 9.92 -1.26 -4.99 116.55 125.49 3k1x n ASP 62 Ca 0.08 -2.69 -0.14 0.00 -0.53 0.00 0.00 54.79 51.51 3k1x n ASP 62 Cb 1.02 -0.50 -0.05 0.00 -0.64 0.00 0.00 41.12 40.95 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 0.14 1.07 3.80 0.44 0.00 0.24 -4.53 105.19 106.35 3k1x n GLY 63 Ca 0.21 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.44 4.39 0.31 0.99 2.96 -1.26 0.50 118.68 123.12 3k1x s LEU 64 Ca 0.00 0.78 -0.28 0.00 -0.22 0.00 0.00 54.13 54.40 3k1x s LEU 64 Cb 0.00 -2.48 -0.09 0.00 0.50 0.00 0.00 46.19 44.11 3k1x s LEU 64 CO 0.00 0.25 1.12 -0.76 -1.32 0.00 0.00 176.35 175.64 3k1x s LEU 65 N -0.51 4.47 0.03 -0.68 1.43 -1.26 -2.20 118.68 119.96 3k1x s LEU 65 Ca 0.21 2.30 -0.17 0.00 -1.03 0.00 0.00 54.13 55.44 3k1x s LEU 65 Cb -0.15 -3.72 0.03 0.00 0.03 0.00 0.00 46.19 42.39 3k1x s LEU 65 CO 0.10 -0.26 0.39 -0.72 0.23 0.00 0.00 176.35 176.08 3k1x s TYR 66 N -1.23 -0.23 -0.20 0.29 -0.85 -0.60 -4.42 117.35 110.12 3k1x s TYR 66 Ca 0.47 0.20 -0.18 0.00 -0.52 0.00 0.00 57.07 57.05 3k1x s TYR 66 Cb -0.32 0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.17 3k1x s TYR 66 CO 0.41 -0.54 0.50 0.20 -1.52 0.00 0.00 175.55 174.60 3k1x s GLY 67 N -1.92 2.09 -0.21 5.49 0.00 0.36 -1.93 107.32 111.20 3k1x s GLY 67 Ca -0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.13 3k1x s GLY 67 CO -0.01 1.02 0.19 -0.56 0.00 0.00 0.00 173.10 173.74 3k1x s SER 68 N 1.12 6.22 0.42 1.64 0.01 0.30 -4.50 113.70 118.90 3k1x s SER 68 Ca 0.23 0.24 0.08 0.00 1.31 0.00 0.00 55.95 57.81 3k1x s SER 68 Cb -0.15 -2.12 0.89 0.00 0.21 0.00 0.00 66.02 64.84 3k1x s SER 68 CO 0.09 0.09 2.06 1.56 0.41 0.00 0.00 173.24 177.45 3k1x h GLN 69 N 7.15 0.50 -5.31 12.44 4.20 -1.93 0.28 115.11 132.44 3k1x h GLN 69 Ca -0.39 -0.03 -0.68 0.00 0.06 0.00 0.00 58.65 57.61 3k1x h GLN 69 Cb 1.16 -0.11 -0.33 0.00 0.30 0.00 0.00 27.48 28.50 3k1x h GLN 69 CO 0.71 0.33 -0.87 0.99 -0.67 0.00 0.00 178.83 179.32 3k1x s THR 70 N -5.45 2.11 -0.89 -0.54 2.01 -1.26 -4.81 115.64 106.81 3k1x s THR 70 Ca -0.08 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 60.70 3k1x s THR 70 Cb 0.17 -1.82 -0.19 0.00 0.01 0.00 0.00 72.50 70.67 3k1x s THR 70 CO 0.73 0.56 2.01 -0.81 -0.69 0.00 0.00 174.62 176.41 3k1x n PRO 71 N 3.65 0.14 -0.56 4.92 -0.04 -1.26 -4.95 135.00 136.90 3k1x n PRO 71 Ca -0.19 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 3k1x n PRO 71 Cb 0.53 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.58 3k1x n PRO 71 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3k1x n ASN 72 N 17.27 0.00 0.19 3.54 6.94 -1.26 -5.01 115.26 136.92 3k1x n ASN 72 Ca 0.37 -0.62 0.07 0.00 -0.02 0.00 0.00 54.58 54.38 3k1x n ASN 72 Cb 0.46 0.00 0.26 0.00 -2.36 0.00 0.00 39.78 38.13 3k1x n ASN 72 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 3k1x h GLU 73 N 0.00 0.00 0.00 -3.83 4.11 -2.00 -3.12 114.58 109.74 3k1x h GLU 73 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3k1x h GLU 73 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3k1x h GLU 73 CO 0.00 0.32 0.00 0.39 0.07 0.00 0.00 179.01 179.79 3k1x n GLU 74 N -3.30 0.84 0.00 1.06 1.02 -1.26 -3.31 120.64 115.69 3k1x n GLU 74 Ca 0.01 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.22 3k1x n GLU 74 Cb 0.56 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 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 -1.81 4.18 -0.03 0.00 2.96 -1.21 -4.51 118.68 118.26 3k1x s LEU 76 Ca 0.12 0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 3k1x s LEU 76 Cb 0.11 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 3k1x s LEU 76 CO 0.33 0.09 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.89 3k1x s PHE 77 N 0.75 1.86 -0.38 5.38 0.08 -0.72 -2.51 117.98 122.45 3k1x s PHE 77 Ca 0.11 -0.42 -0.24 0.00 0.12 0.00 0.00 56.93 56.50 3k1x s PHE 77 Cb -0.13 -1.21 0.01 0.00 -0.57 0.00 0.00 43.02 41.12 3k1x s PHE 77 CO 0.03 -0.08 0.84 -0.51 -0.10 0.00 0.00 175.22 175.39 3k1x s LEU 78 N -0.32 4.08 -0.45 -0.37 1.43 0.18 -0.15 118.68 123.10 3k1x s LEU 78 Ca 0.04 0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 3k1x s LEU 78 Cb -0.09 -3.11 0.03 0.00 0.03 0.00 0.00 46.19 43.05 3k1x s LEU 78 CO 0.00 -0.80 0.51 -0.70 0.23 0.00 0.00 176.35 175.59 3k1x s GLU 79 N 3.27 3.12 -0.07 1.70 2.12 -0.96 -1.57 118.70 126.32 3k1x s GLU 79 Ca 0.34 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.94 3k1x s GLU 79 Cb -0.13 -4.00 -0.02 0.00 0.26 0.00 0.00 34.13 30.24 3k1x s GLU 79 CO 0.18 -0.97 -0.16 1.03 -0.54 0.00 0.00 175.26 174.80 3k1x s ARG 80 N 2.32 2.67 -0.06 4.30 1.81 -0.92 -4.96 118.95 124.11 3k1x s ARG 80 Ca 0.14 -0.73 -0.28 0.00 -1.72 0.00 0.00 55.73 53.14 3k1x s ARG 80 Cb -0.17 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 31.91 3k1x s ARG 80 CO 0.14 0.51 0.92 -0.51 -0.68 0.00 0.00 175.30 175.67 3k1x s LEU 81 N -0.44 4.30 0.00 2.53 1.43 -1.26 -0.27 118.68 124.97 3k1x s LEU 81 Ca 0.05 1.48 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 3k1x s LEU 81 Cb -0.12 -3.43 0.08 0.00 0.03 0.00 0.00 46.19 42.74 3k1x s LEU 81 CO 0.02 -0.30 0.54 -1.84 0.23 0.00 0.00 176.35 175.00 3k1x n GLU 82 N 4.33 0.37 -0.11 1.70 -0.00 0.65 -4.96 120.64 122.61 3k1x n GLU 82 Ca 0.05 -1.64 -0.07 0.00 -0.00 0.00 0.00 57.16 55.51 3k1x n GLU 82 Cb 0.50 -0.31 0.01 0.00 -0.00 0.00 0.00 31.44 31.65 3k1x n GLU 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3k1x h GLU 83 N 0.00 0.32 -0.86 3.44 5.08 -1.98 -2.36 114.58 118.22 3k1x h GLU 83 Ca -0.18 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3k1x h GLU 83 Cb 0.71 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 3k1x h GLU 83 CO 0.21 0.21 0.08 0.09 -1.00 0.00 0.00 179.01 178.61 3k1x n ASN 84 N -4.97 3.28 -0.97 1.42 4.13 -1.26 -4.87 115.26 112.01 3k1x n ASN 84 Ca 0.01 -2.53 -0.13 0.00 1.68 0.00 0.00 54.58 53.62 3k1x n ASN 84 Cb 0.11 -0.61 -0.05 0.00 -1.54 0.00 0.00 39.78 37.68 3k1x n ASN 84 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3k1x n HIS 85 N 0.14 0.00 -1.98 3.10 8.25 -0.89 -5.02 115.22 118.82 3k1x n HIS 85 Ca 0.17 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.32 3k1x n HIS 85 Cb 0.80 -2.44 0.01 0.00 1.12 0.00 0.00 29.99 29.47 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 -2.37 3.32 0.09 4.41 2.02 -1.26 -4.84 117.35 118.71 3k1x s TYR 86 Ca 0.00 1.42 0.00 0.00 -0.37 0.00 0.00 57.07 58.12 3k1x s TYR 86 Cb 0.00 -2.84 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 3k1x s TYR 86 CO 0.00 -0.83 0.25 -0.80 -1.57 0.00 0.00 175.55 172.60 3k1x s ASN 87 N -3.49 6.36 0.18 2.29 -0.87 -0.07 -0.25 114.94 119.09 3k1x s ASN 87 Ca 0.59 0.27 0.04 0.00 -1.57 0.00 0.00 52.86 52.19 3k1x s ASN 87 Cb -0.13 -1.96 -0.05 0.00 -0.02 0.00 0.00 41.25 39.10 3k1x s ASN 87 CO 0.44 0.12 -0.06 0.42 -2.57 0.00 0.00 177.10 175.46 3k1x s THR 88 N -1.59 1.06 -0.22 1.60 -4.23 0.63 -1.53 115.64 111.35 3k1x s THR 88 Ca 0.35 -2.04 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3k1x s THR 88 Cb -0.12 -2.04 0.09 0.00 1.34 0.00 0.00 72.50 71.77 3k1x s THR 88 CO 0.28 -0.58 0.18 -0.31 -0.54 0.00 0.00 174.62 173.65 3k1x s TYR 89 N -3.40 -0.08 -0.05 3.99 1.51 -1.26 -2.16 117.35 115.91 3k1x s TYR 89 Ca 0.21 -0.16 -0.03 0.00 -1.01 0.00 0.00 57.07 56.08 3k1x s TYR 89 Cb 0.04 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 3k1x s TYR 89 CO 0.03 -0.67 0.10 0.42 -1.11 0.00 0.00 175.55 174.33 3k1x s ILE 90 N 2.24 4.96 0.12 2.71 1.01 -0.61 -0.94 121.20 130.70 3k1x s ILE 90 Ca 0.06 -0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.21 3k1x s ILE 90 Cb -0.16 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 3k1x s ILE 90 CO -0.19 0.45 1.60 -0.55 0.00 0.00 0.00 174.94 176.25 3k1x s SER 91 N -1.47 6.61 0.01 3.58 0.15 0.33 0.52 113.70 123.43 3k1x s SER 91 Ca 0.20 2.54 -0.16 0.00 0.70 0.00 0.00 55.95 59.24 3k1x s SER 91 Cb -0.12 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.52 3k1x s SER 91 CO 0.11 -0.84 1.04 0.50 1.20 0.00 0.00 173.24 175.24 3k1x h LYS 92 N 7.47 -0.55 -0.47 5.44 3.64 -1.82 0.11 116.57 130.39 3k1x h LYS 92 Ca -0.43 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.04 3k1x h LYS 92 Cb 1.20 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.09 3k1x h LYS 92 CO 0.92 -0.37 -0.27 1.17 -2.27 0.00 0.00 179.45 178.63 3k1x n LYS 93 N -3.83 -0.20 -0.55 1.90 3.00 -1.26 0.30 118.16 117.52 3k1x n LYS 93 Ca -0.07 0.71 0.01 0.00 -0.00 0.00 0.00 58.31 58.96 3k1x n LYS 93 Cb 0.23 -1.04 0.21 0.00 0.00 0.00 0.00 35.03 34.42 3k1x n LYS 93 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3k1x n HIS 94 N -4.59 1.30 -0.25 5.64 8.25 -1.21 -4.69 115.22 119.67 3k1x n HIS 94 Ca 0.01 -0.57 -0.06 0.00 -0.26 0.00 0.00 57.72 56.84 3k1x n HIS 94 Cb 0.13 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 30.78 3k1x n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k1x n ALA 95 N 0.21 -0.38 0.76 -1.41 0.00 0.89 -0.56 120.51 120.03 3k1x n ALA 95 Ca 0.19 0.50 0.06 0.00 0.00 0.00 0.00 53.44 54.20 3k1x n ALA 95 Cb 0.87 -0.01 0.37 0.00 0.00 0.00 0.00 19.45 20.67 3k1x n ALA 95 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3k1x n GLU 96 N -4.49 0.36 0.00 0.00 0.00 -1.26 -1.48 120.64 113.77 3k1x n GLU 96 Ca 0.01 0.03 0.06 0.00 0.00 0.00 0.00 57.16 57.26 3k1x n GLU 96 Cb 0.15 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.05 3k1x n GLU 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3k1x n LYS 97 N -1.05 2.32 -3.14 3.44 4.81 0.27 -5.01 118.16 119.81 3k1x n LYS 97 Ca 0.09 -0.31 -0.12 0.00 -0.87 0.00 0.00 58.31 57.10 3k1x n LYS 97 Cb 0.05 -1.15 0.06 0.00 0.02 0.00 0.00 35.03 34.00 3k1x n LYS 97 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k1x n ASN 98 N -0.82 -6.62 -4.47 3.14 4.13 -0.55 -5.00 115.26 105.06 3k1x n ASN 98 Ca 0.04 -0.57 -0.43 0.00 1.68 0.00 0.00 54.58 55.29 3k1x n ASN 98 Cb 0.24 -5.01 -0.08 0.00 -1.54 0.00 0.00 39.78 33.39 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 -3.31 3.16 0.30 3.10 0.52 -1.25 -4.75 118.94 116.71 3k1x s TRP 99 Ca 0.36 -0.43 -0.07 0.00 0.02 0.00 0.00 56.10 55.99 3k1x s TRP 99 Cb -0.05 -2.99 -0.06 0.00 -1.15 0.00 0.00 33.47 29.23 3k1x s TRP 99 CO 0.71 -0.75 0.59 -0.06 0.02 0.00 0.00 176.95 177.46 3k1x s PHE 100 N 2.16 3.46 0.13 -1.98 0.40 -1.26 0.12 117.98 121.02 3k1x s PHE 100 Ca 0.12 0.76 -0.31 0.00 -0.60 0.00 0.00 56.93 56.89 3k1x s PHE 100 Cb -0.18 -2.19 -0.09 0.00 0.51 0.00 0.00 43.02 41.07 3k1x s PHE 100 CO 0.13 0.14 1.54 0.08 0.70 0.00 0.00 175.22 177.81 3k1x s VAL 101 N -2.08 2.87 -0.03 -0.44 1.01 -0.12 -4.53 120.40 117.09 3k1x s VAL 101 Ca 0.46 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 62.83 3k1x s VAL 101 Cb -0.11 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.94 3k1x s VAL 101 CO 0.28 0.04 0.41 -0.83 0.00 0.00 0.00 175.10 175.00 3k1x s GLY 102 N 1.36 -0.27 -0.07 4.51 0.00 -1.26 -4.48 107.32 107.11 3k1x s GLY 102 Ca 0.69 0.61 0.02 0.00 0.00 0.00 0.00 44.72 46.04 3k1x s GLY 102 CO 0.31 0.36 -0.12 1.08 0.00 0.00 0.00 173.10 174.73 3k1x s LEU 103 N -1.27 1.61 0.85 0.66 1.43 -0.70 -0.98 118.68 120.28 3k1x s LEU 103 Ca -0.13 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 3k1x s LEU 103 Cb -0.04 -0.85 0.10 0.00 0.03 0.00 0.00 46.19 45.43 3k1x s LEU 103 CO 0.06 0.02 1.12 -0.54 0.23 0.00 0.00 176.35 177.23 3k1x s LYS 104 N 0.79 1.65 0.57 1.70 1.02 0.48 -4.49 119.74 121.46 3k1x s LYS 104 Ca -0.12 0.46 0.30 0.00 0.02 0.00 0.00 55.97 56.63 3k1x s LYS 104 Cb -0.15 -1.88 1.46 0.00 -0.52 0.00 0.00 37.83 36.73 3k1x s LYS 104 CO 0.02 -1.88 1.88 -0.22 -0.92 0.00 0.00 175.35 174.23 3k1x h LYS 105 N -1.27 0.00 0.00 1.68 3.64 -1.88 -2.37 116.57 116.37 3k1x h LYS 105 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3k1x h LYS 105 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3k1x h LYS 105 CO 0.61 0.00 -1.14 0.27 -2.27 0.00 0.00 179.45 176.92 3k1x n ASN 106 N -3.96 0.67 0.00 4.20 0.23 -1.26 -4.66 115.26 110.49 3k1x n ASN 106 Ca 0.13 0.19 0.00 0.00 -0.53 0.00 0.00 54.58 54.37 3k1x n ASN 106 Cb 0.82 0.72 0.00 0.00 -2.08 0.00 0.00 39.78 39.24 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 1.23 1.44 3.80 4.83 0.00 -0.89 -5.03 105.19 110.57 3k1x n GLY 107 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3k1x n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1x s SER 108 N -1.86 7.22 0.72 1.61 1.04 -1.26 0.43 113.70 121.60 3k1x s SER 108 Ca 0.00 1.59 -0.16 0.00 0.48 0.00 0.00 55.95 57.86 3k1x s SER 108 Cb 0.00 -2.48 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 3k1x s SER 108 CO 0.00 0.05 0.81 0.00 0.98 0.00 0.00 173.24 175.08 3k1x s LYS 110 N -3.11 3.44 0.41 0.00 2.20 -0.15 -4.62 119.74 117.90 3k1x s LYS 110 Ca 0.71 -0.17 -0.24 0.00 -0.36 0.00 0.00 55.97 55.91 3k1x s LYS 110 Cb -0.35 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 3k1x s LYS 110 CO 0.53 0.74 1.06 1.03 -0.36 0.00 0.00 175.35 178.34 3k1x s ARG 111 N -0.92 4.13 0.12 4.03 0.52 -1.25 -4.48 118.95 121.10 3k1x s ARG 111 Ca 0.14 1.52 -0.24 0.00 -0.52 0.00 0.00 55.73 56.64 3k1x s ARG 111 Cb -0.12 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 32.78 3k1x s ARG 111 CO 0.03 -0.17 1.19 0.41 0.02 0.00 0.00 175.30 176.78 3k1x n GLY 112 N 0.32 -2.02 0.53 -3.53 0.00 0.18 -2.00 105.19 98.67 3k1x n GLY 112 Ca 0.05 0.92 0.37 0.00 0.00 0.00 0.00 46.02 47.36 3k1x n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k1x h PRO 113 N 0.00 0.08 -0.08 1.61 0.11 -1.85 1.12 132.00 132.99 3k1x h PRO 113 Ca 0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3k1x h PRO 113 Cb 0.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3k1x h PRO 113 CO -0.72 0.05 0.00 0.54 -0.21 0.00 0.00 178.00 177.66 3k1x n ARG 114 N -4.30 2.20 -2.42 1.05 5.12 -0.85 -4.90 116.66 112.57 3k1x n ARG 114 Ca 0.31 -1.75 -0.41 0.00 -1.93 0.00 0.00 57.85 54.06 3k1x n ARG 114 Cb 1.36 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 31.16 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 -1.92 3.81 0.04 0.55 -4.23 0.39 -5.00 115.64 109.28 3k1x s THR 115 Ca 0.32 1.43 -0.13 0.00 -1.18 0.00 0.00 61.69 62.12 3k1x s THR 115 Cb 0.20 -3.91 0.02 0.00 1.34 0.00 0.00 72.50 70.15 3k1x s THR 115 CO 0.31 0.18 0.29 -2.28 -0.54 0.00 0.00 174.62 172.58 3k1x s HIS 116 N 0.38 -0.09 1.02 3.99 5.04 -1.26 -4.90 115.29 119.47 3k1x s HIS 116 Ca 0.55 -0.05 -0.14 0.00 -1.54 0.00 0.00 55.06 53.87 3k1x s HIS 116 Cb -0.31 0.08 0.10 0.00 0.04 0.00 0.00 32.58 32.49 3k1x s HIS 116 CO 0.33 -0.49 0.42 0.66 -2.34 0.00 0.00 174.74 173.32 3k1x n TYR 117 N 0.61 -1.17 0.00 3.88 4.01 -1.26 -2.80 117.16 120.44 3k1x n TYR 117 Ca -0.19 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3k1x n TYR 117 Cb 0.59 -1.73 0.00 0.00 -0.31 0.00 0.00 39.34 37.89 3k1x n TYR 117 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k1x n GLY 118 N 1.48 1.46 3.71 2.72 0.00 -1.26 -4.96 105.19 108.33 3k1x n GLY 118 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 4.31 0.47 1.61 -0.21 -1.12 -4.92 119.66 119.80 3k1x s GLN 119 Ca 0.00 2.06 0.30 0.00 0.02 0.00 0.00 55.36 57.74 3k1x s GLN 119 Cb 0.00 -3.35 1.13 0.00 1.00 0.00 0.00 33.01 31.78 3k1x s GLN 119 CO 0.00 -0.49 1.88 0.87 -2.12 0.00 0.00 175.29 175.43 3k1x h LYS 120 N 7.16 0.00 0.00 2.91 1.57 -1.93 -3.01 116.57 123.27 3k1x h LYS 120 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3k1x h LYS 120 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3k1x h LYS 120 CO 0.88 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.76 3k1x h ALA 121 N 2.07 1.00 -0.02 3.86 0.00 -1.90 -2.92 119.26 121.35 3k1x h ALA 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k1x h ALA 121 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3k1x h ALA 121 CO 0.00 0.00 -0.09 0.44 0.00 0.00 0.00 179.25 179.60 3k1x n ILE 122 N -2.77 0.00 -3.06 0.00 -5.35 -1.14 -1.72 119.36 105.32 3k1x n ILE 122 Ca -0.01 -0.45 -0.42 0.00 -0.27 0.00 0.00 62.75 61.59 3k1x n ILE 122 Cb 0.14 1.39 -0.06 0.00 -1.74 0.00 0.00 39.64 39.36 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 -1.86 4.28 -0.07 7.28 1.43 -1.11 -4.51 118.68 124.12 3k1x s LEU 123 Ca 0.23 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 3k1x s LEU 123 Cb 0.17 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 3k1x s LEU 123 CO 0.31 -0.69 -0.16 -0.36 0.23 0.00 0.00 176.35 175.68 3k1x s PHE 124 N 2.87 2.67 -0.23 0.29 0.40 -0.58 -2.78 117.98 120.62 3k1x s PHE 124 Ca 0.26 -0.34 -0.06 0.00 -0.60 0.00 0.00 56.93 56.19 3k1x s PHE 124 Cb -0.14 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 3k1x s PHE 124 CO 0.17 0.05 0.04 -1.17 0.70 0.00 0.00 175.22 175.00 3k1x s LEU 125 N -0.44 3.32 -0.03 -0.37 2.96 0.10 -0.89 118.68 123.34 3k1x s LEU 125 Ca 0.05 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.43 3k1x s LEU 125 Cb -0.12 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 3k1x s LEU 125 CO 0.02 -0.01 1.50 -2.84 -1.32 0.00 0.00 176.35 173.70 3k1x s PRO 126 N 1.44 4.23 0.23 0.98 0.02 -1.26 -0.86 135.00 139.78 3k1x s PRO 126 Ca 0.05 2.05 0.12 0.00 0.02 0.00 0.00 61.00 63.24 3k1x s PRO 126 Cb -0.15 -3.74 -0.05 0.00 0.02 0.00 0.00 34.50 30.59 3k1x s PRO 126 CO 0.02 -0.70 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.26 3k1x s LEU 127 N 3.12 2.54 0.43 -5.54 1.02 0.21 -4.95 118.68 115.52 3k1x s LEU 127 Ca 0.67 -0.92 -0.21 0.00 0.02 0.00 0.00 54.13 53.68 3k1x s LEU 127 Cb -0.32 -1.17 -0.10 0.00 0.02 0.00 0.00 46.19 44.62 3k1x s LEU 127 CO 0.27 0.08 0.98 -2.84 0.02 0.00 0.00 176.35 174.86 3k1x s PRO 128 N -3.07 4.13 0.01 1.29 0.02 -1.26 -2.11 135.00 134.01 3k1x s PRO 128 Ca 0.25 1.24 0.04 0.00 0.02 0.00 0.00 61.00 62.55 3k1x s PRO 128 Cb -0.07 -2.24 -0.01 0.00 0.02 0.00 0.00 34.50 32.20 3k1x s PRO 128 CO 0.13 -0.13 -0.11 0.54 -0.33 0.00 0.00 177.00 177.10 3k1x s VAL 129 N -2.03 0.86 0.00 3.83 0.11 -1.26 -4.63 120.40 117.29 3k1x s VAL 129 Ca 0.62 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 3k1x s VAL 129 Cb -0.13 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 3k1x s VAL 129 CO 0.17 0.09 0.00 -1.20 -3.33 0.00 0.00 175.10 170.83