#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1x n LYS 2 N 0.00 0.00 -2.05 -1.58 4.81 -1.26 -5.04 118.16 113.03 3k1x n LYS 2 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 3k1x n LYS 2 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3k1x n LYS 2 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3k1x s PRO 3 N -3.02 3.43 0.19 1.64 0.04 -1.26 -4.08 135.00 131.94 3k1x s PRO 3 Ca 0.00 1.41 0.07 0.00 0.04 0.00 0.00 61.00 62.52 3k1x s PRO 3 Cb 0.00 -4.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 3k1x s PRO 3 CO 0.00 -1.74 0.06 0.15 0.04 0.00 0.00 177.00 175.51 3k1x s LYS 4 N 5.44 2.59 0.05 4.56 -0.14 0.53 -2.19 119.74 130.57 3k1x s LYS 4 Ca 0.77 -1.07 -0.08 0.00 -1.36 0.00 0.00 55.97 54.22 3k1x s LYS 4 Cb -0.22 -2.44 -0.05 0.00 -1.68 0.00 0.00 37.83 33.44 3k1x s LYS 4 CO 0.33 0.45 0.35 -0.51 -0.76 0.00 0.00 175.35 175.21 3k1x s LEU 5 N -3.17 4.36 -0.40 3.17 1.43 -0.16 -0.27 118.68 123.64 3k1x s LEU 5 Ca 0.29 0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 54.03 3k1x s LEU 5 Cb -0.09 -2.87 0.09 0.00 0.03 0.00 0.00 46.19 43.36 3k1x s LEU 5 CO 0.21 0.20 0.21 -0.76 0.23 0.00 0.00 176.35 176.43 3k1x s LEU 6 N -1.87 5.07 -0.23 1.79 1.43 -1.26 -0.60 118.68 123.01 3k1x s LEU 6 Ca 0.31 -1.75 -0.23 0.00 -1.03 0.00 0.00 54.13 51.43 3k1x s LEU 6 Cb -0.14 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3k1x s LEU 6 CO 0.18 -0.52 0.74 -0.47 0.23 0.00 0.00 176.35 176.51 3k1x s TYR 7 N 1.27 3.33 -0.26 0.29 5.04 -0.17 -0.68 117.35 126.15 3k1x s TYR 7 Ca 0.04 1.03 -0.20 0.00 -2.44 0.00 0.00 57.07 55.50 3k1x s TYR 7 Cb -0.23 -2.95 -0.02 0.00 0.35 0.00 0.00 41.96 39.12 3k1x s TYR 7 CO -0.02 -0.32 0.63 0.00 -1.34 0.00 0.00 175.55 174.51 3k1x h SER 9 N 7.93 0.00 0.36 0.00 0.87 -1.50 -1.05 113.55 120.16 3k1x h SER 9 Ca -0.27 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 3k1x h SER 9 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 3k1x h SER 9 CO 0.78 0.00 -0.17 -1.13 -0.53 0.00 0.00 176.83 175.77 3k1x h ASN 10 N 0.00 -0.41 0.00 6.23 -1.24 -1.81 -3.36 115.58 114.98 3k1x h ASN 10 Ca 0.01 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.89 3k1x h ASN 10 Cb 0.08 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.24 3k1x h ASN 10 CO -0.00 0.03 -0.02 0.61 -1.29 0.00 0.00 177.43 176.76 3k1x n GLY 11 N 0.12 2.89 2.14 1.57 0.00 -1.25 -4.80 105.19 105.85 3k1x n GLY 11 Ca -0.08 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.70 0.30 3.53 -0.02 0.00 -0.41 -4.98 105.19 102.90 3k1x n GLY 12 Ca 0.04 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.12 2.87 0.20 1.61 3.76 -1.14 -4.57 115.29 114.89 3k1x s HIS 13 Ca 0.14 -0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 54.63 3k1x s HIS 13 Cb -0.06 -1.72 -0.08 0.00 1.11 0.00 0.00 32.58 31.83 3k1x s HIS 13 CO 0.27 0.21 1.13 -0.06 -0.85 0.00 0.00 174.74 175.45 3k1x s PHE 14 N -0.59 3.53 0.11 1.40 0.08 0.70 -0.50 117.98 122.71 3k1x s PHE 14 Ca 0.09 1.56 -0.31 0.00 0.12 0.00 0.00 56.93 58.39 3k1x s PHE 14 Cb -0.12 -3.33 -0.07 0.00 -0.57 0.00 0.00 43.02 38.94 3k1x s PHE 14 CO 0.02 -0.80 1.24 -1.17 -0.10 0.00 0.00 175.22 174.41 3k1x s LEU 15 N -0.55 4.39 -0.10 -0.37 2.96 0.14 -1.76 118.68 123.39 3k1x s LEU 15 Ca 0.49 2.15 0.03 0.00 -0.22 0.00 0.00 54.13 56.58 3k1x s LEU 15 Cb -0.31 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.80 3k1x s LEU 15 CO 0.37 -0.48 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.13 3k1x s ARG 16 N 0.67 2.50 -0.45 1.98 3.52 0.14 -4.47 118.95 122.86 3k1x s ARG 16 Ca 0.58 -0.68 -0.10 0.00 -0.13 0.00 0.00 55.73 55.40 3k1x s ARG 16 Cb -0.32 -2.00 0.09 0.00 -1.56 0.00 0.00 34.95 31.16 3k1x s ARG 16 CO 0.32 0.05 0.31 0.42 -0.81 0.00 0.00 175.30 175.58 3k1x s ILE 17 N 0.68 4.34 0.63 4.11 1.01 -0.66 -2.06 121.20 129.25 3k1x s ILE 17 Ca -0.13 -1.51 -0.16 0.00 0.00 0.00 0.00 60.65 58.85 3k1x s ILE 17 Cb -0.16 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3k1x s ILE 17 CO 0.03 -0.62 1.13 -0.76 0.00 0.00 0.00 174.94 174.72 3k1x s LEU 18 N 1.43 3.49 0.57 2.97 1.43 0.66 -4.81 118.68 124.41 3k1x s LEU 18 Ca 0.04 2.12 0.26 0.00 -1.03 0.00 0.00 54.13 55.51 3k1x s LEU 18 Cb -0.25 -4.57 1.58 0.00 0.03 0.00 0.00 46.19 42.98 3k1x s LEU 18 CO 0.01 -1.61 2.13 -0.65 0.23 0.00 0.00 176.35 176.47 3k1x h PRO 19 N 0.34 0.00 0.00 1.29 0.11 -1.98 -1.71 132.00 130.04 3k1x h PRO 19 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3k1x h PRO 19 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3k1x h PRO 19 CO 0.54 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.93 3k1x n ASP 20 N -4.05 0.00 0.00 -2.05 5.75 -1.26 -4.83 116.55 110.11 3k1x n ASP 20 Ca 0.01 -1.09 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 3k1x n ASP 20 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.48 0.73 3.74 6.12 0.00 -0.64 -4.94 105.19 110.68 3k1x n GLY 21 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.46 4.53 -0.18 2.61 2.01 -1.25 -0.65 115.64 120.26 3k1x s THR 22 Ca 0.00 1.92 -0.03 0.00 0.31 0.00 0.00 61.69 63.89 3k1x s THR 22 Cb 0.00 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 3k1x s THR 22 CO 0.00 0.36 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.54 3k1x s VAL 23 N -0.19 3.47 0.00 3.82 1.01 -1.26 -0.25 120.40 127.01 3k1x s VAL 23 Ca 0.43 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.93 3k1x s VAL 23 Cb -0.23 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3k1x s VAL 23 CO 0.28 0.47 0.00 -0.90 0.00 0.00 0.00 175.10 174.94 3k1x n ASP 24 N 4.10 0.00 -4.16 3.32 5.75 -0.87 -4.04 116.55 120.64 3k1x n ASP 24 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.48 3k1x n ASP 24 Cb 0.52 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.78 0.04 6.12 0.00 0.31 0.29 107.32 114.85 3k1x s GLY 25 Ca 0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 44.72 43.47 3k1x s GLY 25 CO 0.00 -1.34 -0.03 -1.08 0.00 0.00 0.00 173.10 170.65 3k1x s THR 26 N -3.03 0.21 -0.51 0.90 -1.32 -0.72 -4.81 115.64 106.36 3k1x s THR 26 Ca 0.08 -1.40 0.24 0.00 -1.21 0.00 0.00 61.69 59.40 3k1x s THR 26 Cb 0.01 -0.95 0.18 0.00 -1.51 0.00 0.00 72.50 70.22 3k1x s THR 26 CO -0.02 -0.75 1.44 0.03 -2.21 0.00 0.00 174.62 173.11 3k1x h ARG 27 N 3.84 0.00 -6.47 7.08 3.08 -1.88 0.20 114.38 120.22 3k1x h ARG 27 Ca -0.33 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.15 3k1x h ARG 27 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.18 3k1x h ARG 27 CO 0.54 0.00 1.09 0.34 -1.07 0.00 0.00 179.97 180.87 3k1x s ASP 28 N -5.14 6.31 0.49 7.04 -1.08 -1.26 -4.88 116.67 118.14 3k1x s ASP 28 Ca 0.06 0.96 0.28 0.00 -0.52 0.00 0.00 52.55 53.32 3k1x s ASP 28 Cb 0.10 -2.54 0.97 0.00 -1.46 0.00 0.00 42.92 39.99 3k1x s ASP 28 CO 0.69 -1.43 1.84 0.03 0.52 0.00 0.00 175.17 176.82 3k1x h ARG 29 N 10.87 0.00 0.00 4.34 3.08 -2.02 -1.59 114.38 129.05 3k1x h ARG 29 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3k1x h ARG 29 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3k1x h ARG 29 CO 1.07 0.08 0.00 0.43 -1.07 0.00 0.00 179.97 180.48 3k1x n SER 30 N -3.18 0.00 -4.76 7.04 7.64 -1.26 -4.91 113.62 114.19 3k1x n SER 30 Ca 0.01 -1.14 -0.40 0.00 1.01 0.00 0.00 58.87 58.35 3k1x n SER 30 Cb 0.41 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 3k1x n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3k1x s ASP 31 N -1.78 7.02 0.31 6.43 3.68 -0.60 -4.89 116.67 126.84 3k1x s ASP 31 Ca 0.34 2.38 0.14 0.00 2.13 0.00 0.00 52.55 57.54 3k1x s ASP 31 Cb 0.16 -2.63 0.43 0.00 -1.45 0.00 0.00 42.92 39.43 3k1x s ASP 31 CO 0.26 -0.33 1.63 1.56 0.13 0.00 0.00 175.17 178.42 3k1x h GLN 32 N 3.50 0.00 -0.51 4.34 1.08 -1.91 -3.25 115.11 118.37 3k1x h GLN 32 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 3k1x h GLN 32 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3k1x h GLN 32 CO 0.66 0.54 0.00 0.72 -0.95 0.00 0.00 178.83 179.79 3k1x n HIS 33 N -3.62 0.67 0.86 2.96 8.25 -1.26 -3.69 115.22 119.39 3k1x n HIS 33 Ca -0.00 -0.33 0.11 0.00 -0.26 0.00 0.00 57.72 57.23 3k1x n HIS 33 Cb 0.60 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.77 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 1.45 0.05 -2.07 1.59 -5.35 -1.22 -1.65 119.36 112.16 3k1x n ILE 34 Ca 0.21 -0.08 -0.43 0.00 -0.27 0.00 0.00 62.75 62.18 3k1x n ILE 34 Cb 0.59 0.48 -0.03 0.00 -1.74 0.00 0.00 39.64 38.94 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 -3.07 3.45 0.29 6.28 1.11 -1.24 -4.45 119.66 122.03 3k1x s GLN 35 Ca 0.08 1.39 0.11 0.00 0.01 0.00 0.00 55.36 56.95 3k1x s GLN 35 Cb 0.16 -4.15 -0.05 0.00 -1.01 0.00 0.00 33.01 27.96 3k1x s GLN 35 CO 0.79 -1.72 -0.14 -0.51 0.01 0.00 0.00 175.29 173.72 3k1x s LEU 36 N 6.39 2.73 -0.15 2.90 1.43 0.63 -1.28 118.68 131.33 3k1x s LEU 36 Ca 0.76 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3k1x s LEU 36 Cb -0.21 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.82 3k1x s LEU 36 CO 0.33 -0.02 -0.16 -1.58 0.23 0.00 0.00 176.35 175.16 3k1x s GLN 37 N -3.56 2.47 -0.15 1.70 2.00 0.18 -0.35 119.66 121.95 3k1x s GLN 37 Ca 0.31 -0.63 -0.08 0.00 -2.00 0.00 0.00 55.36 52.96 3k1x s GLN 37 Cb -0.04 -2.22 -0.04 0.00 0.80 0.00 0.00 33.01 31.51 3k1x s GLN 37 CO 0.16 -0.22 0.13 -0.51 -0.50 0.00 0.00 175.29 174.35 3k1x s LEU 38 N 1.41 4.27 -0.10 3.68 1.02 -1.26 -1.58 118.68 126.12 3k1x s LEU 38 Ca 0.04 0.35 -0.01 0.00 0.02 0.00 0.00 54.13 54.54 3k1x s LEU 38 Cb -0.13 -2.07 0.03 0.00 0.02 0.00 0.00 46.19 44.04 3k1x s LEU 38 CO -0.11 0.31 -0.06 -0.44 0.02 0.00 0.00 176.35 176.07 3k1x s SER 39 N -0.42 2.04 -0.52 2.29 0.01 -0.81 -4.49 113.70 111.78 3k1x s SER 39 Ca 0.12 -0.26 -0.28 0.00 1.31 0.00 0.00 55.95 56.84 3k1x s SER 39 Cb -0.12 -0.76 0.01 0.00 0.21 0.00 0.00 66.02 65.37 3k1x s SER 39 CO 0.01 -0.13 1.48 0.00 0.41 0.00 0.00 173.24 175.02 3k1x s ALA 40 N 1.72 2.80 -0.00 1.44 0.00 -1.26 -1.03 121.76 125.43 3k1x s ALA 40 Ca 0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.26 3k1x s ALA 40 Cb -0.13 -4.09 -0.12 0.00 0.00 0.00 0.00 23.12 18.78 3k1x s ALA 40 CO -0.07 -2.90 0.96 1.49 0.00 0.00 0.00 175.76 175.23 3k1x h GLU 41 N 11.49 -0.78 0.00 0.00 4.81 -1.87 -3.46 114.58 124.76 3k1x h GLU 41 Ca -0.27 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3k1x h GLU 41 Cb 1.11 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3k1x h GLU 41 CO 1.15 -0.52 0.00 0.43 -0.73 0.00 0.00 179.01 179.34 3k1x n SER 42 N -5.18 1.26 0.00 1.04 7.64 -1.26 -5.04 113.62 112.09 3k1x n SER 42 Ca -0.10 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.12 3k1x n SER 42 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 3k1x n SER 42 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3k1x n VAL 43 N -0.24 0.00 -0.01 0.44 0.31 -1.26 -4.02 118.33 113.55 3k1x n VAL 43 Ca 0.00 1.48 -0.01 0.00 -0.01 0.00 0.00 64.34 65.80 3k1x n VAL 43 Cb 0.00 -2.33 0.27 0.00 -0.91 0.00 0.00 33.84 30.87 3k1x n VAL 43 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3k1x h GLY 44 N 0.00 0.57 -3.31 2.92 0.00 -1.96 -3.46 103.07 97.83 3k1x h GLY 44 Ca 0.00 -0.36 -0.52 0.00 0.00 0.00 0.00 47.33 46.44 3k1x h GLY 44 CO 0.00 0.34 -0.13 -1.83 0.00 0.00 0.00 176.54 174.91 3k1x s GLU 45 N -4.88 3.67 0.06 4.80 1.03 -1.26 -1.51 118.70 120.62 3k1x s GLU 45 Ca -0.08 0.08 0.01 0.00 0.03 0.00 0.00 54.97 55.02 3k1x s GLU 45 Cb 0.15 -2.65 -0.03 0.00 -0.80 0.00 0.00 34.13 30.80 3k1x s GLU 45 CO 0.77 0.24 -0.06 0.14 -1.33 0.00 0.00 175.26 175.02 3k1x s VAL 46 N -2.01 0.51 0.07 1.83 -7.23 0.10 -2.90 120.40 110.77 3k1x s VAL 46 Ca 0.45 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 59.21 3k1x s VAL 46 Cb -0.11 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3k1x s VAL 46 CO 0.28 -0.63 0.04 -0.31 -0.31 0.00 0.00 175.10 174.16 3k1x s TYR 47 N -2.45 3.10 -0.21 2.82 2.02 -0.19 -1.71 117.35 120.73 3k1x s TYR 47 Ca -0.01 0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 3k1x s TYR 47 Cb -0.03 -1.60 0.05 0.00 -0.40 0.00 0.00 41.96 39.98 3k1x s TYR 47 CO -0.03 0.50 -0.08 0.42 -1.57 0.00 0.00 175.55 174.79 3k1x s ILE 48 N -1.30 1.53 -0.08 2.71 1.01 -1.26 -1.93 121.20 121.88 3k1x s ILE 48 Ca 0.26 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.92 3k1x s ILE 48 Cb -0.12 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 3k1x s ILE 48 CO 0.18 0.07 -0.21 -0.75 0.00 0.00 0.00 174.94 174.24 3k1x s LYS 49 N 1.43 2.85 0.17 2.79 2.20 -0.62 -0.89 119.74 127.67 3k1x s LYS 49 Ca -0.03 -0.82 -0.32 0.00 -0.36 0.00 0.00 55.97 54.45 3k1x s LYS 49 Cb -0.17 -2.33 -0.10 0.00 -1.51 0.00 0.00 37.83 33.72 3k1x s LYS 49 CO -0.07 0.33 1.59 0.45 -0.36 0.00 0.00 175.35 177.29 3k1x s SER 50 N -0.02 6.57 0.00 1.43 0.15 0.11 0.49 113.70 122.43 3k1x s SER 50 Ca -0.07 2.64 0.27 0.00 0.70 0.00 0.00 55.95 59.49 3k1x s SER 50 Cb -0.15 -2.59 1.29 0.00 -1.71 0.00 0.00 66.02 62.86 3k1x s SER 50 CO 0.05 -0.84 1.87 0.35 1.20 0.00 0.00 173.24 175.87 3k1x n THR 51 N 4.00 0.03 -0.04 6.45 -2.24 -0.40 -1.29 114.28 120.79 3k1x n THR 51 Ca 0.14 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 3k1x n THR 51 Cb 0.38 0.06 -0.13 0.00 -2.10 0.00 0.00 70.33 68.54 3k1x n THR 51 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3k1x n GLU 52 N -0.30 0.72 0.00 -0.78 4.07 -1.26 -4.74 120.64 118.35 3k1x n GLU 52 Ca 0.20 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 3k1x n GLU 52 Cb 0.24 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.97 3k1x n GLU 52 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3k1x n THR 53 N -3.45 0.00 -0.99 6.31 -2.24 -1.24 -4.98 114.28 107.69 3k1x n THR 53 Ca -0.37 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3k1x n THR 53 Cb 1.02 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 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 0.68 0.31 3.77 3.38 0.00 -0.41 -5.01 105.19 107.91 3k1x n GLY 54 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.79 4.23 -0.15 1.61 -0.21 -1.26 -4.71 119.66 118.38 3k1x s GLN 55 Ca 0.00 1.74 -0.07 0.00 0.02 0.00 0.00 55.36 57.05 3k1x s GLN 55 Cb 0.00 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.21 3k1x s GLN 55 CO 0.00 -0.14 0.08 0.71 -2.12 0.00 0.00 175.29 173.82 3k1x s TYR 56 N -1.42 3.33 0.32 0.91 1.51 -0.02 0.08 117.35 122.05 3k1x s TYR 56 Ca 0.54 0.22 -0.29 0.00 -1.01 0.00 0.00 57.07 56.53 3k1x s TYR 56 Cb -0.28 -2.01 -0.10 0.00 -0.11 0.00 0.00 41.96 39.45 3k1x s TYR 56 CO 0.36 0.35 1.33 -1.17 -1.11 0.00 0.00 175.55 175.31 3k1x s LEU 57 N -0.14 4.42 0.06 -1.29 2.96 -0.06 -0.13 118.68 124.49 3k1x s LEU 57 Ca 0.08 2.70 -0.05 0.00 -0.22 0.00 0.00 54.13 56.63 3k1x s LEU 57 Cb -0.12 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 3k1x s LEU 57 CO 0.01 -0.57 0.10 0.00 -1.32 0.00 0.00 176.35 174.56 3k1x s ALA 58 N -0.97 0.04 -0.14 5.97 0.00 0.43 -4.43 121.76 122.66 3k1x s ALA 58 Ca 0.51 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.72 3k1x s ALA 58 Cb -0.40 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3k1x s ALA 58 CO 0.52 -0.40 -0.18 1.41 0.00 0.00 0.00 175.76 177.11 3k1x s MET 59 N -3.45 2.63 0.54 0.00 1.75 -0.57 -0.16 119.30 120.04 3k1x s MET 59 Ca 0.02 -0.70 -0.09 0.00 -1.25 0.00 0.00 55.69 53.67 3k1x s MET 59 Cb 0.04 -2.24 0.12 0.00 2.84 0.00 0.00 34.83 35.59 3k1x s MET 59 CO -0.09 -0.12 0.74 -0.40 -0.65 0.00 0.00 175.02 174.50 3k1x n ASP 60 N 4.39 0.09 0.20 1.11 5.68 -0.06 -4.80 116.55 123.16 3k1x n ASP 60 Ca -0.19 -1.29 0.14 0.00 -0.50 0.00 0.00 54.79 52.95 3k1x n ASP 60 Cb 0.51 -0.56 0.49 0.00 -1.14 0.00 0.00 41.12 40.42 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 -1.38 0.00 -0.49 2.12 1.35 -2.01 -2.21 112.91 110.29 3k1x h THR 61 Ca -0.24 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3k1x h THR 61 Cb 0.67 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3k1x h THR 61 CO 0.17 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.91 3k1x n ASP 62 N -2.71 3.43 0.00 5.36 8.00 -1.26 -4.95 116.55 124.41 3k1x n ASP 62 Ca 0.02 -2.24 0.00 0.00 0.71 0.00 0.00 54.79 53.28 3k1x n ASP 62 Cb 0.35 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 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 1.03 0.73 3.71 0.44 0.00 -0.83 -4.59 105.19 105.67 3k1x n GLY 63 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 4.37 0.29 0.99 2.96 -1.26 -0.89 118.68 125.13 3k1x s LEU 64 Ca 0.00 1.82 -0.28 0.00 -0.22 0.00 0.00 54.13 55.45 3k1x s LEU 64 Cb 0.00 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.02 3k1x s LEU 64 CO 0.00 -0.36 0.96 -0.76 -1.32 0.00 0.00 176.35 174.86 3k1x s LEU 65 N 1.08 4.48 0.13 -0.68 1.43 -1.26 -0.88 118.68 122.99 3k1x s LEU 65 Ca 0.55 1.93 -0.15 0.00 -1.03 0.00 0.00 54.13 55.43 3k1x s LEU 65 Cb -0.25 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.18 3k1x s LEU 65 CO 0.28 0.01 0.38 -0.72 0.23 0.00 0.00 176.35 176.53 3k1x s TYR 66 N -1.40 -0.12 -0.17 0.29 -0.85 0.78 -4.23 117.35 111.66 3k1x s TYR 66 Ca 0.46 -0.22 -0.13 0.00 -0.52 0.00 0.00 57.07 56.66 3k1x s TYR 66 Cb -0.23 0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.28 3k1x s TYR 66 CO 0.29 -0.71 0.26 0.20 -1.52 0.00 0.00 175.55 174.07 3k1x s GLY 67 N -2.83 2.18 -0.12 5.49 0.00 0.18 -0.43 107.32 111.79 3k1x s GLY 67 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3k1x s GLY 67 CO -0.10 0.37 -0.13 -0.45 0.00 0.00 0.00 173.10 172.79 3k1x s SER 68 N 0.42 3.99 0.35 1.64 0.15 0.81 -4.58 113.70 116.49 3k1x s SER 68 Ca 0.15 -0.32 0.08 0.00 0.70 0.00 0.00 55.95 56.56 3k1x s SER 68 Cb -0.13 -1.56 0.80 0.00 -1.71 0.00 0.00 66.02 63.42 3k1x s SER 68 CO 0.03 0.18 1.87 1.56 1.20 0.00 0.00 173.24 178.08 3k1x h GLN 69 N 6.62 0.69 -3.65 5.44 1.08 -1.90 -0.03 115.11 123.37 3k1x h GLN 69 Ca -0.27 -0.04 -0.26 0.00 -1.45 0.00 0.00 58.65 56.63 3k1x h GLN 69 Cb 1.21 -0.16 -0.31 0.00 -0.05 0.00 0.00 27.48 28.18 3k1x h GLN 69 CO 0.55 0.46 -0.72 0.95 -0.95 0.00 0.00 178.83 179.11 3k1x s THR 70 N -5.69 -0.02 -1.04 -0.54 -4.23 -1.26 -4.77 115.64 98.09 3k1x s THR 70 Ca -0.10 0.09 -0.24 0.00 -1.18 0.00 0.00 61.69 60.25 3k1x s THR 70 Cb 0.22 -0.04 -0.11 0.00 1.34 0.00 0.00 72.50 73.90 3k1x s THR 70 CO 0.79 0.04 2.04 -2.16 -0.54 0.00 0.00 174.62 174.78 3k1x s PRO 71 N 0.45 2.11 0.00 3.99 0.04 -1.26 -4.97 135.00 135.35 3k1x s PRO 71 Ca -0.04 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 60.43 3k1x s PRO 71 Cb -0.05 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.40 3k1x s PRO 71 CO -0.01 -4.22 0.00 0.27 0.04 0.00 0.00 177.00 173.08 3k1x n ASN 72 N 15.97 -0.04 0.16 6.66 2.04 -1.26 -4.97 115.26 133.83 3k1x n ASN 72 Ca 0.43 -0.42 0.12 0.00 -0.44 0.00 0.00 54.58 54.27 3k1x n ASN 72 Cb 0.46 0.00 0.11 0.00 -2.53 0.00 0.00 39.78 37.82 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 -3.18 114.58 109.69 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 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 3k1x n GLU 74 N -2.86 0.10 0.00 1.06 1.02 -1.26 -3.42 120.64 115.29 3k1x n GLU 74 Ca 0.02 0.18 0.04 0.00 -0.02 0.00 0.00 57.16 57.38 3k1x n GLU 74 Cb 0.53 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.18 4.28 0.04 0.00 1.43 -1.22 -4.46 118.68 117.57 3k1x s LEU 76 Ca 0.08 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 3k1x s LEU 76 Cb 0.07 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 3k1x s LEU 76 CO 0.17 0.18 -0.11 -0.36 0.23 0.00 0.00 176.35 176.46 3k1x s PHE 77 N 0.09 0.92 -0.30 0.29 0.08 -0.69 -1.82 117.98 116.55 3k1x s PHE 77 Ca 0.16 -0.40 -0.17 0.00 0.12 0.00 0.00 56.93 56.64 3k1x s PHE 77 Cb -0.13 -0.54 -0.02 0.00 -0.57 0.00 0.00 43.02 41.76 3k1x s PHE 77 CO 0.04 -0.01 0.47 -0.51 -0.10 0.00 0.00 175.22 175.11 3k1x s LEU 78 N -1.32 4.18 -0.36 -0.37 1.43 0.16 0.03 118.68 122.43 3k1x s LEU 78 Ca -0.04 0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 53.06 3k1x s LEU 78 Cb -0.08 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.59 3k1x s LEU 78 CO 0.01 -0.34 0.66 -0.70 0.23 0.00 0.00 176.35 176.21 3k1x s GLU 79 N 2.26 3.69 -0.17 1.70 2.12 -0.57 -2.53 118.70 125.20 3k1x s GLU 79 Ca 0.18 0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.60 3k1x s GLU 79 Cb -0.16 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.43 3k1x s GLU 79 CO 0.11 -0.75 -0.15 1.03 -0.54 0.00 0.00 175.26 174.96 3k1x s ARG 80 N 2.77 3.17 0.21 4.30 0.52 -0.76 -4.94 118.95 124.23 3k1x s ARG 80 Ca 0.25 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.42 3k1x s ARG 80 Cb -0.14 -2.68 -0.09 0.00 0.52 0.00 0.00 34.95 32.57 3k1x s ARG 80 CO 0.15 -0.09 0.91 -1.17 0.02 0.00 0.00 175.30 175.12 3k1x s LEU 81 N 1.08 4.63 0.00 2.53 1.98 -1.26 -1.40 118.68 126.23 3k1x s LEU 81 Ca -0.00 1.88 0.00 0.00 -2.89 0.00 0.00 54.13 53.11 3k1x s LEU 81 Cb -0.14 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.16 3k1x s LEU 81 CO -0.04 0.15 0.00 -0.62 -1.89 0.00 0.00 176.35 173.95 3k1x n GLU 82 N 1.62 2.00 -0.34 1.98 4.71 0.80 -4.96 120.64 126.45 3k1x n GLU 82 Ca -0.02 0.00 0.24 0.00 -0.01 0.00 0.00 57.16 57.37 3k1x n GLU 82 Cb 0.47 0.00 0.51 0.00 -1.01 0.00 0.00 31.44 31.42 3k1x n GLU 82 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3k1x h GLU 83 N 0.00 0.36 -0.17 3.49 4.57 -1.97 -2.38 114.58 118.47 3k1x h GLU 83 Ca 0.00 -0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 57.98 3k1x h GLU 83 Cb 0.00 -0.08 -0.25 0.00 -0.16 0.00 0.00 28.75 28.26 3k1x h GLU 83 CO 0.00 0.24 -0.81 0.09 -1.18 0.00 0.00 179.01 177.34 3k1x n ASN 84 N -4.68 1.94 0.00 1.04 5.03 -1.26 -4.93 115.26 112.40 3k1x n ASN 84 Ca 0.27 -2.99 0.00 0.00 0.87 0.00 0.00 54.58 52.74 3k1x n ASN 84 Cb 0.94 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 3k1x n ASN 84 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3k1x n HIS 85 N -0.44 0.00 -2.67 3.10 8.25 -0.89 -4.99 115.22 117.58 3k1x n HIS 85 Ca 0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.25 3k1x n HIS 85 Cb 0.90 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.96 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 -2.36 3.60 0.31 4.41 2.02 -1.26 -4.58 117.35 119.48 3k1x s TYR 86 Ca 0.00 1.75 0.09 0.00 -0.37 0.00 0.00 57.07 58.54 3k1x s TYR 86 Cb 0.00 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 3k1x s TYR 86 CO 0.00 -0.10 0.10 -0.80 -1.57 0.00 0.00 175.55 173.18 3k1x s ASN 87 N -1.43 4.72 0.25 2.29 0.01 0.12 -0.14 114.94 120.76 3k1x s ASN 87 Ca 0.50 -0.68 0.08 0.00 -0.71 0.00 0.00 52.86 52.05 3k1x s ASN 87 Cb -0.23 -0.83 -0.05 0.00 0.41 0.00 0.00 41.25 40.55 3k1x s ASN 87 CO 0.29 -0.18 -0.11 0.42 -1.51 0.00 0.00 177.10 176.01 3k1x s THR 88 N -2.36 1.79 -0.14 1.60 -4.23 -0.49 -0.26 115.64 111.54 3k1x s THR 88 Ca 0.35 -2.20 -0.04 0.00 -1.18 0.00 0.00 61.69 58.63 3k1x s THR 88 Cb -0.04 -2.26 0.06 0.00 1.34 0.00 0.00 72.50 71.60 3k1x s THR 88 CO 0.22 -0.44 0.13 -0.31 -0.54 0.00 0.00 174.62 173.69 3k1x s TYR 89 N -2.93 -0.02 -0.16 3.99 1.51 -1.26 -1.83 117.35 116.65 3k1x s TYR 89 Ca 0.27 0.09 -0.08 0.00 -1.01 0.00 0.00 57.07 56.34 3k1x s TYR 89 Cb 0.01 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 3k1x s TYR 89 CO 0.10 -0.44 0.10 0.42 -1.11 0.00 0.00 175.55 174.61 3k1x s ILE 90 N 2.22 5.10 0.38 2.71 1.01 -1.05 -1.28 121.20 130.30 3k1x s ILE 90 Ca 0.04 0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.50 3k1x s ILE 90 Cb -0.15 -3.27 -0.11 0.00 0.01 0.00 0.00 42.46 38.94 3k1x s ILE 90 CO -0.08 0.51 1.07 -0.24 0.00 0.00 0.00 174.94 176.19 3k1x n SER 91 N 3.00 1.56 -0.08 3.58 2.88 -0.37 -0.67 113.62 123.53 3k1x n SER 91 Ca -0.17 1.09 -0.11 0.00 -1.33 0.00 0.00 58.87 58.35 3k1x n SER 91 Cb 0.53 -1.37 -0.06 0.00 -0.75 0.00 0.00 64.21 62.56 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 1.81 0.00 0.00 -1.46 3.64 -1.65 -2.57 116.57 116.34 3k1x h LYS 92 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3k1x h LYS 92 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3k1x h LYS 92 CO 0.59 0.44 0.56 -0.22 -2.27 0.00 0.00 179.45 178.54 3k1x h LYS 93 N -1.00 0.00 -0.36 1.90 1.63 -1.80 -0.75 116.57 116.20 3k1x h LYS 93 Ca -0.12 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.46 3k1x h LYS 93 Cb 0.75 0.00 -0.38 0.00 -0.60 0.00 0.00 32.23 32.00 3k1x h LYS 93 CO -0.07 0.00 -1.05 0.72 -3.45 0.00 0.00 179.45 175.60 3k1x n HIS 94 N -2.15 0.92 0.25 1.91 8.25 -1.25 -4.94 115.22 118.21 3k1x n HIS 94 Ca -0.01 -1.93 0.10 0.00 -0.26 0.00 0.00 57.72 55.63 3k1x n HIS 94 Cb 0.57 -0.11 0.66 0.00 1.12 0.00 0.00 29.99 32.24 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 2.32 1.43 0.00 -1.41 0.00 -0.69 -2.23 119.26 118.68 3k1x h ALA 95 Ca -0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3k1x h ALA 95 Cb 1.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3k1x h ALA 95 CO 0.15 0.17 -0.32 1.05 0.00 0.00 0.00 179.25 180.29 3k1x h GLU 96 N 0.00 0.00 0.00 0.00 9.09 -1.87 -1.76 114.58 120.05 3k1x h GLU 96 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3k1x h GLU 96 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 3k1x h GLU 96 CO 0.02 0.32 -0.63 1.63 0.05 0.00 0.00 179.01 180.40 3k1x n LYS 97 N -3.38 0.18 -3.05 1.06 5.02 -0.85 -4.98 118.16 112.16 3k1x n LYS 97 Ca 0.01 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 3k1x n LYS 97 Cb 0.53 -1.60 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 -0.52 0.00 0.00 177.40 176.97 3k1x n ASN 98 N -1.85 -2.85 -4.62 4.39 5.03 -0.66 -4.97 115.26 109.72 3k1x n ASN 98 Ca 0.04 -0.41 -0.43 0.00 0.87 0.00 0.00 54.58 54.65 3k1x n ASN 98 Cb 0.40 -3.63 -0.02 0.00 -1.02 0.00 0.00 39.78 35.50 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 -3.24 2.76 0.11 3.10 0.52 -1.24 -4.71 118.94 116.24 3k1x s TRP 99 Ca 0.11 0.85 0.02 0.00 0.02 0.00 0.00 56.10 57.10 3k1x s TRP 99 Cb -0.05 -4.11 -0.04 0.00 -1.15 0.00 0.00 33.47 28.12 3k1x s TRP 99 CO 0.50 -1.44 0.22 -0.06 0.02 0.00 0.00 176.95 176.18 3k1x s PHE 100 N 4.48 3.43 -0.01 -1.98 0.40 -1.26 -1.23 117.98 121.81 3k1x s PHE 100 Ca 0.53 0.15 -0.30 0.00 -0.60 0.00 0.00 56.93 56.70 3k1x s PHE 100 Cb -0.12 -1.68 -0.06 0.00 0.51 0.00 0.00 43.02 41.67 3k1x s PHE 100 CO 0.26 0.54 1.44 0.08 0.70 0.00 0.00 175.22 178.25 3k1x s VAL 101 N -1.62 3.66 0.01 -0.44 1.01 -0.40 -4.42 120.40 118.19 3k1x s VAL 101 Ca 0.34 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 63.19 3k1x s VAL 101 Cb -0.12 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.63 3k1x s VAL 101 CO 0.27 -0.01 0.31 -0.83 0.00 0.00 0.00 175.10 174.84 3k1x s GLY 102 N 2.07 -0.14 0.04 4.51 0.00 -1.26 -4.36 107.32 108.18 3k1x s GLY 102 Ca 0.65 0.18 0.08 0.00 0.00 0.00 0.00 44.72 45.63 3k1x s GLY 102 CO 0.27 -0.04 -0.23 1.08 0.00 0.00 0.00 173.10 174.18 3k1x s LEU 103 N -1.69 2.34 0.88 0.66 1.43 -0.53 -0.40 118.68 121.36 3k1x s LEU 103 Ca -0.09 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 3k1x s LEU 103 Cb -0.03 -1.38 0.12 0.00 0.03 0.00 0.00 46.19 44.93 3k1x s LEU 103 CO 0.01 0.26 1.10 -0.54 0.23 0.00 0.00 176.35 177.41 3k1x s LYS 104 N -1.27 1.38 0.62 1.70 1.02 0.99 -4.48 119.74 119.70 3k1x s LYS 104 Ca 0.13 1.11 0.31 0.00 0.02 0.00 0.00 55.97 57.54 3k1x s LYS 104 Cb -0.10 -1.80 1.76 0.00 -0.52 0.00 0.00 37.83 37.17 3k1x s LYS 104 CO 0.03 -2.24 2.10 0.87 -0.92 0.00 0.00 175.35 175.19 3k1x h LYS 105 N -1.56 0.00 -0.44 1.68 1.57 -1.88 -2.01 116.57 113.94 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 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 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 -3.52 2.68 0.00 0.86 6.94 -1.26 -4.40 115.26 116.55 3k1x n ASN 106 Ca 0.01 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.62 3k1x n ASN 106 Cb 0.32 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 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 1.32 1.69 3.75 4.83 0.00 -0.75 -4.98 105.19 111.05 3k1x n GLY 107 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.77 5.25 0.45 1.61 0.01 -1.26 -0.53 113.70 117.46 3k1x s SER 108 Ca 0.00 2.45 -0.23 0.00 1.31 0.00 0.00 55.95 59.49 3k1x s SER 108 Cb 0.00 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.55 3k1x s SER 108 CO 0.00 -1.56 1.13 0.00 0.41 0.00 0.00 173.24 173.22 3k1x s LYS 110 N -2.72 3.91 0.42 0.00 2.20 0.46 -4.58 119.74 119.43 3k1x s LYS 110 Ca 0.63 -0.34 -0.25 0.00 -0.36 0.00 0.00 55.97 55.65 3k1x s LYS 110 Cb -0.26 -3.56 -0.08 0.00 -1.51 0.00 0.00 37.83 32.42 3k1x s LYS 110 CO 0.32 -0.12 1.24 1.03 -0.36 0.00 0.00 175.35 177.45 3k1x s ARG 111 N 1.56 3.91 0.31 4.03 0.52 -1.26 -4.28 118.95 123.74 3k1x s ARG 111 Ca 0.07 1.99 0.08 0.00 -0.52 0.00 0.00 55.73 57.35 3k1x s ARG 111 Cb -0.15 -2.64 0.87 0.00 0.52 0.00 0.00 34.95 33.54 3k1x s ARG 111 CO 0.08 -0.49 1.70 0.78 0.02 0.00 0.00 175.30 177.40 3k1x h GLY 112 N 2.49 1.80 2.00 -3.53 0.00 -1.23 -0.88 103.07 103.73 3k1x h GLY 112 Ca -0.49 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3k1x h GLY 112 CO 0.62 -0.30 0.00 -0.56 0.00 0.00 0.00 176.54 176.29 3k1x h PRO 113 N 0.46 0.00 -0.31 4.80 0.13 -1.86 -2.63 132.00 132.59 3k1x h PRO 113 Ca 0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.76 3k1x h PRO 113 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3k1x h PRO 113 CO -0.52 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 177.79 3k1x n ARG 114 N -2.72 2.23 -2.93 0.86 5.12 -0.33 -4.90 116.66 113.98 3k1x n ARG 114 Ca -0.00 -1.85 -0.21 0.00 -1.93 0.00 0.00 57.85 53.85 3k1x n ARG 114 Cb 0.17 -1.47 0.02 0.00 -1.16 0.00 0.00 32.46 30.03 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 -1.60 3.46 -0.26 0.55 -4.23 -0.99 -5.00 115.64 107.57 3k1x s THR 115 Ca 0.36 -0.66 -0.28 0.00 -1.18 0.00 0.00 61.69 59.93 3k1x s THR 115 Cb 0.21 -3.26 0.16 0.00 1.34 0.00 0.00 72.50 70.95 3k1x s THR 115 CO 0.29 -0.17 1.24 -2.28 -0.54 0.00 0.00 174.62 173.17 3k1x s HIS 116 N -2.56 -0.20 0.65 3.99 5.04 -1.26 -4.93 115.29 116.02 3k1x s HIS 116 Ca 0.52 0.41 -0.18 0.00 -1.54 0.00 0.00 55.06 54.27 3k1x s HIS 116 Cb -0.10 0.46 -0.02 0.00 0.04 0.00 0.00 32.58 32.96 3k1x s HIS 116 CO 0.37 -0.14 1.10 0.98 -2.34 0.00 0.00 174.74 174.70 3k1x n TYR 117 N 1.16 1.22 0.00 3.88 9.36 -1.26 -2.31 117.16 129.21 3k1x n TYR 117 Ca -0.07 0.42 0.00 0.00 3.32 0.00 0.00 57.90 61.56 3k1x n TYR 117 Cb 0.58 -2.17 0.00 0.00 -0.63 0.00 0.00 39.34 37.11 3k1x n TYR 117 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3k1x n GLY 118 N 1.10 2.74 3.59 2.98 0.00 -1.26 -5.03 105.19 109.31 3k1x n GLY 118 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3k1x n GLY 118 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k1x n GLN 119 N -0.28 1.26 0.19 1.61 6.02 -0.98 -4.94 117.38 120.26 3k1x n GLN 119 Ca 0.00 0.45 0.06 0.00 -0.01 0.00 0.00 57.00 57.50 3k1x n GLN 119 Cb 0.00 -1.96 0.31 0.00 1.02 0.00 0.00 30.24 29.61 3k1x n GLN 119 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3k1x h LYS 120 N 1.49 0.00 -0.78 -1.09 1.79 -1.95 -3.30 116.57 112.74 3k1x h LYS 120 Ca -0.43 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 58.26 3k1x h LYS 120 Cb 1.35 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.96 3k1x h LYS 120 CO 0.57 0.35 0.64 0.00 -1.08 0.00 0.00 179.45 179.93 3k1x h ALA 121 N 1.65 2.66 -0.08 3.86 0.00 -1.92 -2.71 119.26 122.71 3k1x h ALA 121 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k1x h ALA 121 Cb 0.95 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3k1x h ALA 121 CO 0.05 -1.05 0.00 0.44 0.00 0.00 0.00 179.25 178.69 3k1x n ILE 122 N -4.01 0.13 -3.81 0.00 -5.35 -1.24 -1.46 119.36 103.61 3k1x n ILE 122 Ca 0.16 -0.56 -0.36 0.00 -0.27 0.00 0.00 62.75 61.72 3k1x n ILE 122 Cb 0.92 1.24 -0.11 0.00 -1.74 0.00 0.00 39.64 39.95 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 -1.32 3.78 -0.10 7.28 1.43 -1.02 -4.28 118.68 124.45 3k1x s LEU 123 Ca 0.21 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3k1x s LEU 123 Cb 0.14 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.38 3k1x s LEU 123 CO 0.21 0.06 -0.14 -0.36 0.23 0.00 0.00 176.35 176.35 3k1x s PHE 124 N 1.07 1.82 -0.23 0.29 0.40 0.63 -1.72 117.98 120.24 3k1x s PHE 124 Ca 0.05 -0.83 -0.15 0.00 -0.60 0.00 0.00 56.93 55.40 3k1x s PHE 124 Cb -0.14 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 3k1x s PHE 124 CO 0.04 -0.44 0.38 -1.17 0.70 0.00 0.00 175.22 174.73 3k1x s LEU 125 N 0.98 4.10 -0.08 -0.37 2.96 -0.23 0.16 118.68 126.20 3k1x s LEU 125 Ca -0.07 0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 53.94 3k1x s LEU 125 Cb -0.15 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 3k1x s LEU 125 CO -0.01 -0.12 1.04 -2.84 -1.32 0.00 0.00 176.35 173.10 3k1x s PRO 126 N 1.64 4.43 -0.15 0.98 0.02 -1.26 -1.00 135.00 139.66 3k1x s PRO 126 Ca 0.17 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.64 3k1x s PRO 126 Cb -0.15 -3.53 0.03 0.00 0.02 0.00 0.00 34.50 30.87 3k1x s PRO 126 CO 0.08 -0.29 -0.10 -0.51 -0.33 0.00 0.00 177.00 175.85 3k1x s LEU 127 N 1.85 1.66 0.24 -5.54 2.01 0.23 -4.97 118.68 114.16 3k1x s LEU 127 Ca 0.50 -0.54 -0.31 0.00 0.01 0.00 0.00 54.13 53.79 3k1x s LEU 127 Cb -0.20 -1.06 -0.12 0.00 0.01 0.00 0.00 46.19 44.81 3k1x s LEU 127 CO 0.20 -0.11 1.64 -2.65 1.01 0.00 0.00 176.35 176.45 3k1x n PRO 128 N 4.81 2.63 -2.09 1.29 -0.02 -1.26 -0.98 135.00 139.38 3k1x n PRO 128 Ca -0.15 0.94 -0.11 0.00 -2.02 0.00 0.00 63.50 62.17 3k1x n PRO 128 Cb 0.49 -2.75 0.04 0.00 -0.02 0.00 0.00 33.50 31.26 3k1x n PRO 128 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3k1x n VAL 129 N 3.12 0.00 -0.94 -1.45 3.14 -0.93 -4.86 118.33 116.41 3k1x n VAL 129 Ca 0.13 -1.07 0.00 0.00 -2.96 0.00 0.00 64.34 60.44 3k1x n VAL 129 Cb 0.35 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.39 3k1x n VAL 129 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13