#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f n PHE 2 N 0.00 1.26 -2.93 1.12 3.01 -1.26 -4.91 117.46 113.75 3k1f n PHE 2 Ca 0.00 0.83 -0.24 0.00 1.01 0.00 0.00 57.45 59.05 3k1f n PHE 2 Cb 0.00 -2.01 0.01 0.00 -0.01 0.00 0.00 39.48 37.46 3k1f n PHE 2 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3k1f s PHE 3 N 4.19 3.34 -0.25 1.38 0.40 -0.32 -4.92 117.98 121.80 3k1f s PHE 3 Ca 1.01 0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 57.74 3k1f s PHE 3 Cb -1.33 -2.28 0.07 0.00 0.51 0.00 0.00 43.02 39.99 3k1f s PHE 3 CO 0.65 -0.31 0.02 0.42 0.70 0.00 0.00 175.22 176.70 3k1f s ILE 4 N -2.60 1.15 0.07 0.64 1.01 -1.26 -0.72 121.20 119.49 3k1f s ILE 4 Ca 0.47 -1.17 0.07 0.00 0.00 0.00 0.00 60.65 60.02 3k1f s ILE 4 Cb -0.10 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3k1f s ILE 4 CO 0.40 -0.32 -0.15 -0.75 0.00 0.00 0.00 174.94 174.12 3k1f s LYS 5 N 1.54 2.05 -0.36 2.79 2.47 -0.73 -4.93 119.74 122.57 3k1f s LYS 5 Ca 0.01 -1.02 -0.24 0.00 -1.56 0.00 0.00 55.97 53.16 3k1f s LYS 5 Cb -0.18 -2.22 0.01 0.00 -1.46 0.00 0.00 37.83 33.98 3k1f s LYS 5 CO -0.12 0.52 0.80 -0.51 0.16 0.00 0.00 175.35 176.21 3k1f s ASP 6 N -1.82 6.58 0.17 1.43 1.01 -1.26 -1.33 116.67 121.45 3k1f s ASP 6 Ca 0.17 0.42 0.07 0.00 0.71 0.00 0.00 52.55 53.93 3k1f s ASP 6 Cb -0.11 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 3k1f s ASP 6 CO 0.09 -0.73 -0.14 -0.76 0.21 0.00 0.00 175.17 173.83 3k1f s LEU 7 N 3.13 2.50 0.26 1.23 1.02 -0.34 -4.98 118.68 121.50 3k1f s LEU 7 Ca 0.32 -0.95 0.11 0.00 0.02 0.00 0.00 54.13 53.64 3k1f s LEU 7 Cb -0.13 -0.63 -0.05 0.00 0.02 0.00 0.00 46.19 45.40 3k1f s LEU 7 CO 0.17 -0.16 -0.17 -0.94 0.02 0.00 0.00 176.35 175.26 3k1f s SER 8 N -3.01 3.74 -0.13 2.29 1.04 -1.26 -0.23 113.70 116.15 3k1f s SER 8 Ca 0.18 -0.92 -0.06 0.00 0.48 0.00 0.00 55.95 55.62 3k1f s SER 8 Cb -0.02 -0.40 0.05 0.00 0.10 0.00 0.00 66.02 65.76 3k1f s SER 8 CO 0.05 0.05 0.29 -0.22 0.98 0.00 0.00 173.24 174.40 3k1f s LEU 9 N -3.36 0.17 -0.85 2.42 2.96 -0.21 -4.97 118.68 114.83 3k1f s LEU 9 Ca 0.28 0.64 -0.21 0.00 -0.22 0.00 0.00 54.13 54.62 3k1f s LEU 9 Cb -0.06 0.90 0.10 0.00 0.50 0.00 0.00 46.19 47.62 3k1f s LEU 9 CO 0.15 -0.18 1.12 0.20 -1.32 0.00 0.00 176.35 176.32 3k1f s ASN 10 N 1.48 6.44 -0.12 3.68 0.01 -1.26 -0.94 114.94 124.23 3k1f s ASN 10 Ca -0.08 -1.56 -0.13 0.00 -0.71 0.00 0.00 52.86 50.39 3k1f s ASN 10 Cb -0.10 -2.43 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 3k1f s ASN 10 CO -0.10 -1.28 0.29 -0.63 -1.51 0.00 0.00 177.10 173.87 3k1f s ILE 11 N 3.57 5.28 -0.20 0.60 1.01 0.10 -4.90 121.20 126.66 3k1f s ILE 11 Ca 0.31 0.55 -0.05 0.00 0.00 0.00 0.00 60.65 61.46 3k1f s ILE 11 Cb -0.08 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3k1f s ILE 11 CO -0.02 0.47 -0.01 -0.89 0.00 0.00 0.00 174.94 174.48 3k1f s THR 12 N -0.10 3.77 -0.05 2.92 2.01 -1.26 -0.83 115.64 122.09 3k1f s THR 12 Ca 0.18 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 3k1f s THR 12 Cb -0.14 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3k1f s THR 12 CO 0.06 0.43 0.12 -0.76 -0.69 0.00 0.00 174.62 173.77 3k1f s LEU 13 N 1.13 4.16 -0.02 4.42 1.43 -0.05 -4.94 118.68 124.81 3k1f s LEU 13 Ca 0.02 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.27 3k1f s LEU 13 Cb -0.14 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 3k1f s LEU 13 CO 0.01 0.32 0.43 -2.28 0.23 0.00 0.00 176.35 175.06 3k1f s HIS 14 N -1.15 3.69 0.59 0.29 5.65 -1.26 -1.11 115.29 122.00 3k1f s HIS 14 Ca 0.21 0.99 0.32 0.00 0.25 0.00 0.00 55.06 56.82 3k1f s HIS 14 Cb -0.12 -2.35 1.26 0.00 -1.18 0.00 0.00 32.58 30.19 3k1f s HIS 14 CO 0.11 0.55 1.56 -1.35 -0.65 0.00 0.00 174.74 174.96 3k1f h PRO 15 N 5.07 0.00 -0.31 2.88 0.11 -1.96 0.12 132.00 137.92 3k1f h PRO 15 Ca -0.49 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.69 3k1f h PRO 15 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3k1f h PRO 15 CO 0.64 0.00 0.22 0.66 -0.21 0.00 0.00 178.00 179.31 3k1f h SER 16 N 0.00 0.09 -0.40 -2.05 4.64 -1.97 -1.37 113.55 112.48 3k1f h SER 16 Ca 0.49 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.70 3k1f h SER 16 Cb 2.51 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 64.52 3k1f h SER 16 CO -0.01 0.06 0.14 0.49 -0.87 0.00 0.00 176.83 176.64 3k1f n PHE 17 N -4.47 1.34 -1.81 4.77 3.72 0.43 -4.55 117.46 116.90 3k1f n PHE 17 Ca 0.04 -0.72 -0.37 0.00 -0.05 0.00 0.00 57.45 56.35 3k1f n PHE 17 Cb 0.32 -0.44 0.02 0.00 -0.94 0.00 0.00 39.48 38.44 3k1f n PHE 17 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3k1f n PHE 18 N 0.06 2.68 -4.99 1.38 3.01 -0.52 -4.67 117.46 114.40 3k1f n PHE 18 Ca 0.22 -2.25 -0.32 0.00 1.01 0.00 0.00 57.45 56.10 3k1f n PHE 18 Cb 0.91 -1.24 -0.14 0.00 -0.01 0.00 0.00 39.48 39.00 3k1f n PHE 18 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3k1f s GLY 19 N -0.78 1.45 0.00 1.37 0.00 -1.26 -5.06 107.32 103.04 3k1f s GLY 19 Ca 0.54 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.27 3k1f s GLY 19 CO -0.37 -0.61 0.00 -1.05 0.00 0.00 0.00 173.10 171.08 3k1f n PRO 20 N 2.78 0.00 -2.88 2.90 -0.02 -1.26 -2.07 135.00 134.45 3k1f n PRO 20 Ca -0.17 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.87 3k1f n PRO 20 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3k1f n PRO 20 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3k1f s ARG 21 N -1.08 4.04 -0.24 -0.52 1.81 -1.26 -4.40 118.95 117.31 3k1f s ARG 21 Ca 0.00 -2.42 -0.09 0.00 -1.72 0.00 0.00 55.73 51.49 3k1f s ARG 21 Cb 0.00 -5.14 -0.17 0.00 -0.45 0.00 0.00 34.95 29.19 3k1f s ARG 21 CO 0.00 -1.85 -0.12 -0.12 -0.68 0.00 0.00 175.30 172.53 3k1f n MET 22 N 6.19 0.63 -0.34 3.54 0.00 -0.88 -4.35 117.12 121.91 3k1f n MET 22 Ca 0.38 0.28 0.19 0.00 -0.00 0.00 0.00 57.70 58.55 3k1f n MET 22 Cb 0.44 -1.58 0.40 0.00 0.00 0.00 0.00 33.22 32.48 3k1f n MET 22 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3k1f h LYS 23 N -0.54 0.45 0.50 2.12 3.64 -1.88 0.48 116.57 121.33 3k1f h LYS 23 Ca -0.57 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.77 3k1f h LYS 23 Cb 1.71 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.41 3k1f h LYS 23 CO -0.21 0.30 -0.41 0.37 -2.27 0.00 0.00 179.45 177.23 3k1f h GLN 24 N 0.47 -0.86 0.00 1.90 5.75 -1.92 -0.92 115.11 119.53 3k1f h GLN 24 Ca 0.66 0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 59.16 3k1f h GLN 24 Cb 1.34 0.20 -0.01 0.00 1.07 0.00 0.00 27.48 30.08 3k1f h GLN 24 CO -0.53 -0.57 -0.26 -0.92 -2.65 0.00 0.00 178.83 173.90 3k1f h TYR 25 N -0.89 0.00 0.13 3.99 3.20 -1.19 -0.80 116.97 121.40 3k1f h TYR 25 Ca -0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3k1f h TYR 25 Cb 0.76 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.04 3k1f h TYR 25 CO -0.18 0.26 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.47 3k1f h LEU 26 N 0.00 -0.14 -0.89 2.82 3.38 -0.80 -0.21 115.31 119.46 3k1f h LEU 26 Ca -0.00 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.76 3k1f h LEU 26 Cb 0.50 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3k1f h LEU 26 CO 0.03 0.22 0.56 0.11 0.09 0.00 0.00 178.44 179.44 3k1f h LYS 27 N -0.52 0.97 0.02 1.13 1.57 -0.94 -1.21 116.57 117.60 3k1f h LYS 27 Ca -0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3k1f h LYS 27 Cb 0.41 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3k1f h LYS 27 CO 0.03 0.64 -0.01 1.15 -0.57 0.00 0.00 179.45 180.69 3k1f h THR 28 N 1.00 1.16 -0.72 -0.16 2.02 -1.11 -1.91 112.91 113.19 3k1f h THR 28 Ca 0.39 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3k1f h THR 28 Cb 0.20 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 3k1f h THR 28 CO -0.18 0.15 0.45 0.50 0.37 0.00 0.00 175.52 176.80 3k1f h LYS 29 N -0.28 0.96 -0.25 6.66 1.63 -0.66 -0.44 116.57 124.18 3k1f h LYS 29 Ca -0.00 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.73 3k1f h LYS 29 Cb 0.27 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 3k1f h LYS 29 CO 0.01 0.66 0.15 1.25 -3.45 0.00 0.00 179.45 178.06 3k1f h LEU 30 N 0.98 0.24 -1.53 5.20 5.85 -1.15 -0.86 115.31 124.05 3k1f h LEU 30 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3k1f h LEU 30 Cb -0.07 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3k1f h LEU 30 CO -0.05 0.18 0.00 -0.07 -0.34 0.00 0.00 178.44 178.16 3k1f h LEU 31 N 0.31 0.00 0.13 2.25 3.38 -0.50 -0.59 115.31 120.28 3k1f h LEU 31 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3k1f h LEU 31 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3k1f h LEU 31 CO -0.04 0.00 -0.06 -0.33 0.09 0.00 0.00 178.44 178.09 3k1f h GLU 32 N 0.00 -0.17 0.00 1.13 5.08 -0.51 -3.07 114.58 117.04 3k1f h GLU 32 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3k1f h GLU 32 Cb 0.48 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3k1f h GLU 32 CO 0.00 -0.05 -0.06 0.93 -1.00 0.00 0.00 179.01 178.83 3k1f h GLU 33 N -1.04 0.00 0.00 2.33 5.08 -1.13 -3.37 114.58 116.45 3k1f h GLU 33 Ca -0.02 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.11 3k1f h GLU 33 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3k1f h GLU 33 CO 0.03 0.06 -1.77 0.28 -1.00 0.00 0.00 179.01 176.61 3k1f n VAL 34 N -4.17 0.76 -1.68 3.13 0.31 -0.24 -4.85 118.33 111.60 3k1f n VAL 34 Ca -0.03 -0.20 -0.46 0.00 -0.01 0.00 0.00 64.34 63.65 3k1f n VAL 34 Cb 0.14 -1.64 -0.04 0.00 -0.91 0.00 0.00 33.84 31.40 3k1f n VAL 34 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k1f n GLU 35 N -3.57 2.44 0.00 5.55 1.02 -1.16 -1.63 120.64 123.30 3k1f n GLU 35 Ca -0.27 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3k1f n GLU 35 Cb 0.70 -2.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 3k1f n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1f n GLY 36 N 4.27 2.80 3.72 0.62 0.00 -0.31 -4.89 105.19 111.40 3k1f n GLY 36 Ca 0.20 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3k1f n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1f n SER 37 N 0.44 3.28 -4.55 1.61 3.41 -0.64 -4.52 113.62 112.65 3k1f n SER 37 Ca 0.00 1.18 -0.32 0.00 -0.26 0.00 0.00 58.87 59.47 3k1f n SER 37 Cb 0.00 -1.53 -0.11 0.00 -0.26 0.00 0.00 64.21 62.31 3k1f n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1f s THR 39 N -0.92 0.70 -0.03 0.00 -4.23 -1.16 -4.46 115.64 105.54 3k1f s THR 39 Ca 0.15 -1.67 -0.25 0.00 -1.18 0.00 0.00 61.69 58.74 3k1f s THR 39 Cb -0.11 -1.36 -0.20 0.00 1.34 0.00 0.00 72.50 72.17 3k1f s THR 39 CO 0.05 -0.70 1.20 1.23 -0.54 0.00 0.00 174.62 175.87 3k1f h GLY 40 N 3.45 -0.06 1.92 3.99 0.00 -1.89 -0.34 103.07 110.14 3k1f h GLY 40 Ca -0.36 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3k1f h GLY 40 CO 0.57 -0.02 -0.00 1.70 0.00 0.00 0.00 176.54 178.78 3k1f h LYS 41 N -0.57 0.11 0.00 4.80 3.64 -2.01 -3.34 116.57 119.19 3k1f h LYS 41 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3k1f h LYS 41 Cb 0.51 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3k1f h LYS 41 CO 0.01 0.12 -0.88 1.19 -2.27 0.00 0.00 179.45 177.62 3k1f n PHE 42 N -4.46 0.00 -1.94 1.91 3.01 -1.25 -5.15 117.46 109.57 3k1f n PHE 42 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3k1f n PHE 42 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 3k1f n PHE 42 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k1f n GLY 43 N 2.45 -1.86 3.61 1.37 0.00 -0.14 -4.39 105.19 106.23 3k1f n GLY 43 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 3k1f n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k1f s TYR 44 N 0.00 1.37 -0.66 1.61 1.51 -0.32 -3.01 117.35 117.85 3k1f s TYR 44 Ca 0.00 0.44 -0.24 0.00 -1.01 0.00 0.00 57.07 56.26 3k1f s TYR 44 Cb 0.00 -4.01 0.06 0.00 -0.11 0.00 0.00 41.96 37.90 3k1f s TYR 44 CO 0.00 -3.96 1.02 0.42 -1.11 0.00 0.00 175.55 171.92 3k1f s ILE 45 N 7.35 4.22 -0.06 2.71 1.01 0.02 -1.01 121.20 135.44 3k1f s ILE 45 Ca 0.93 -0.12 -0.01 0.00 0.00 0.00 0.00 60.65 61.45 3k1f s ILE 45 Cb -0.31 -4.71 -0.00 0.00 0.01 0.00 0.00 42.46 37.44 3k1f s ILE 45 CO 0.35 -1.48 -0.03 -0.07 0.00 0.00 0.00 174.94 173.71 3k1f h LEU 46 N 11.62 0.00 -7.36 2.97 3.38 -1.54 -0.81 115.31 123.57 3k1f h LEU 46 Ca -0.28 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.34 3k1f h LEU 46 Cb 1.07 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.44 3k1f h LEU 46 CO 1.19 0.31 -0.74 0.00 0.09 0.00 0.00 178.44 179.29 3k1f s VAL 48 N 1.88 4.41 0.23 0.00 1.01 -1.26 -0.91 120.40 125.76 3k1f s VAL 48 Ca 0.01 1.71 -0.06 0.00 0.00 0.00 0.00 61.98 63.64 3k1f s VAL 48 Cb -0.12 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3k1f s VAL 48 CO -0.03 -0.06 0.51 -0.76 0.00 0.00 0.00 175.10 174.75 3k1f s LEU 49 N 2.67 4.15 -0.36 3.92 1.43 -0.32 -4.70 118.68 125.47 3k1f s LEU 49 Ca 0.53 0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 54.24 3k1f s LEU 49 Cb -0.21 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.50 3k1f s LEU 49 CO 0.17 -0.09 0.39 -0.67 0.23 0.00 0.00 176.35 176.38 3k1f n ASP 50 N -0.41 -7.51 -0.19 2.29 -0.08 -1.26 -4.60 116.55 104.79 3k1f n ASP 50 Ca -0.01 0.68 -0.01 0.00 -1.51 0.00 0.00 54.79 53.94 3k1f n ASP 50 Cb 0.53 -4.51 0.09 0.00 2.34 0.00 0.00 41.12 39.57 3k1f n ASP 50 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 3k1f h TYR 51 N 2.46 0.40 0.85 -0.67 3.20 -1.99 -3.24 116.97 117.98 3k1f h TYR 51 Ca -0.08 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 3k1f h TYR 51 Cb 0.78 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 38.96 3k1f h TYR 51 CO 0.05 0.13 -0.41 -0.44 -1.64 0.00 0.00 178.16 175.85 3k1f h ASP 52 N 0.42 -0.97 0.00 -2.11 3.32 -2.00 -3.32 116.42 111.76 3k1f h ASP 52 Ca 0.28 0.03 -0.25 0.00 0.02 0.00 0.00 57.03 57.12 3k1f h ASP 52 Cb 0.32 0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 3k1f h ASP 52 CO -0.27 -0.62 0.30 0.59 -1.72 0.00 0.00 179.24 177.53 3k1f n ASN 53 N -5.54 5.41 -4.53 6.45 5.03 -1.22 -4.84 115.26 116.01 3k1f n ASN 53 Ca -0.14 -2.43 -0.35 0.00 0.87 0.00 0.00 54.58 52.52 3k1f n ASN 53 Cb 0.45 -1.35 -0.11 0.00 -1.02 0.00 0.00 39.78 37.75 3k1f n ASN 53 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3k1f s ILE 54 N 1.33 4.51 -0.23 2.41 1.01 -1.25 -4.99 121.20 123.99 3k1f s ILE 54 Ca 0.63 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.88 3k1f s ILE 54 Cb 0.28 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3k1f s ILE 54 CO -0.01 0.40 1.85 -0.62 0.00 0.00 0.00 174.94 176.56 3k1f s ASP 55 N 1.00 6.01 -0.06 3.58 2.15 -0.35 -4.91 116.67 124.09 3k1f s ASP 55 Ca 0.04 1.69 -0.21 0.00 0.43 0.00 0.00 52.55 54.49 3k1f s ASP 55 Cb -0.14 -2.52 -0.16 0.00 -0.30 0.00 0.00 42.92 39.79 3k1f s ASP 55 CO 0.03 -1.55 0.88 -0.29 -0.17 0.00 0.00 175.17 174.07 3k1f h ILE 56 N 6.55 0.93 -2.25 4.11 6.09 -1.89 -2.47 117.51 128.58 3k1f h ILE 56 Ca -0.37 -1.20 0.25 0.00 -1.37 0.00 0.00 64.86 62.17 3k1f h ILE 56 Cb 1.19 1.57 -0.10 0.00 0.47 0.00 0.00 36.82 39.95 3k1f h ILE 56 CO 0.99 0.25 -0.59 0.00 -3.07 0.00 0.00 178.15 175.73 3k1f n GLN 57 N -4.90 -2.09 -3.01 2.19 6.02 -1.26 -4.63 117.38 109.70 3k1f n GLN 57 Ca -0.08 1.55 -0.41 0.00 -0.01 0.00 0.00 57.00 58.06 3k1f n GLN 57 Cb 0.27 -2.50 -0.05 0.00 1.02 0.00 0.00 30.24 28.98 3k1f n GLN 57 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k1f s ARG 58 N -2.79 4.16 -0.35 -1.09 0.52 -1.26 -5.01 118.95 113.14 3k1f s ARG 58 Ca 0.00 0.73 -0.24 0.00 -0.52 0.00 0.00 55.73 55.70 3k1f s ARG 58 Cb 0.00 -3.64 0.01 0.00 0.52 0.00 0.00 34.95 31.84 3k1f s ARG 58 CO 0.00 -0.43 0.85 0.20 0.02 0.00 0.00 175.30 175.93 3k1f s GLY 59 N 1.38 1.63 -0.15 -3.53 0.00 -1.26 -4.85 107.32 100.54 3k1f s GLY 59 Ca 0.30 -0.50 -0.29 0.00 0.00 0.00 0.00 44.72 44.24 3k1f s GLY 59 CO 0.08 1.87 1.57 -1.60 0.00 0.00 0.00 173.10 175.02 3k1f s ARG 60 N 3.22 4.01 0.07 2.90 6.06 -0.41 -4.71 118.95 130.10 3k1f s ARG 60 Ca 0.35 1.86 -0.25 0.00 -2.50 0.00 0.00 55.73 55.18 3k1f s ARG 60 Cb -0.13 -3.97 -0.06 0.00 0.06 0.00 0.00 34.95 30.85 3k1f s ARG 60 CO 0.16 -1.03 0.76 0.42 -2.50 0.00 0.00 175.30 173.12 3k1f s ILE 61 N 4.48 4.65 0.64 4.11 1.01 -1.26 -0.62 121.20 134.21 3k1f s ILE 61 Ca 0.69 1.64 -0.15 0.00 0.00 0.00 0.00 60.65 62.83 3k1f s ILE 61 Cb -0.27 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 3k1f s ILE 61 CO 0.27 0.41 1.09 -0.76 0.00 0.00 0.00 174.94 175.95 3k1f s LEU 62 N -0.33 3.40 -0.18 2.97 2.01 -0.64 -4.98 118.68 120.94 3k1f s LEU 62 Ca 0.38 1.94 0.16 0.00 0.01 0.00 0.00 54.13 56.62 3k1f s LEU 62 Cb -0.21 -4.54 0.78 0.00 0.01 0.00 0.00 46.19 42.23 3k1f s LEU 62 CO 0.24 -1.51 1.70 -0.81 1.01 0.00 0.00 176.35 176.98 3k1f n PRO 63 N -2.35 4.37 -0.04 1.29 -0.04 -1.26 -4.30 135.00 132.67 3k1f n PRO 63 Ca 0.10 -3.05 -0.09 0.00 -0.04 0.00 0.00 63.50 60.42 3k1f n PRO 63 Cb 0.52 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 3k1f n PRO 63 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3k1f n THR 64 N 0.86 1.19 -4.34 0.52 -1.04 -1.26 -5.07 114.28 105.14 3k1f n THR 64 Ca 0.27 0.10 -0.18 0.00 -2.04 0.00 0.00 64.05 62.20 3k1f n THR 64 Cb 1.06 -1.90 -0.10 0.00 -1.82 0.00 0.00 70.33 67.57 3k1f n THR 64 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3k1f s ASP 65 N -6.09 2.50 0.00 8.00 -4.77 -1.26 -5.05 116.67 110.00 3k1f s ASP 65 Ca -0.18 -1.04 0.16 0.00 -3.30 0.00 0.00 52.55 48.19 3k1f s ASP 65 Cb 0.04 -0.12 0.94 0.00 -1.09 0.00 0.00 42.92 42.69 3k1f s ASP 65 CO 0.24 -0.21 1.36 0.61 0.70 0.00 0.00 175.17 177.88 3k1f n GLY 66 N -0.38 -0.57 3.75 2.12 0.00 -1.26 -3.95 105.19 104.90 3k1f n GLY 66 Ca -0.08 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3k1f n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k1f s SER 67 N -1.93 5.29 -0.15 1.61 0.01 -1.26 -4.47 113.70 112.80 3k1f s SER 67 Ca 0.24 2.62 -0.01 0.00 1.31 0.00 0.00 55.95 60.11 3k1f s SER 67 Cb 0.11 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 3k1f s SER 67 CO 0.18 -1.54 -0.11 0.00 0.41 0.00 0.00 173.24 172.18 3k1f s ALA 68 N -1.39 2.65 -0.27 1.44 0.00 -0.26 -1.62 121.76 122.30 3k1f s ALA 68 Ca 0.73 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 51.52 3k1f s ALA 68 Cb -0.37 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 3k1f s ALA 68 CO 0.42 0.09 0.67 -2.00 0.00 0.00 0.00 175.76 174.94 3k1f s GLU 69 N 0.61 4.06 -0.04 0.00 2.56 0.20 -0.87 118.70 125.22 3k1f s GLU 69 Ca -0.07 0.54 0.05 0.00 0.00 0.00 0.00 54.97 55.50 3k1f s GLU 69 Cb -0.15 -3.67 -0.02 0.00 2.00 0.00 0.00 34.13 32.28 3k1f s GLU 69 CO 0.03 -0.49 -0.18 -0.06 -0.56 0.00 0.00 175.26 174.00 3k1f s PHE 70 N 2.61 2.58 -0.59 5.30 0.40 -0.01 -1.28 117.98 126.98 3k1f s PHE 70 Ca 0.28 -0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.32 3k1f s PHE 70 Cb -0.15 -1.58 0.15 0.00 0.51 0.00 0.00 43.02 41.95 3k1f s PHE 70 CO 0.09 0.12 0.41 1.21 0.70 0.00 0.00 175.22 177.75 3k1f s ASN 71 N -0.72 5.29 -0.28 1.36 2.47 -1.26 -0.72 114.94 121.08 3k1f s ASN 71 Ca 0.11 -2.71 -0.28 0.00 0.42 0.00 0.00 52.86 50.41 3k1f s ASN 71 Cb -0.10 -1.86 0.01 0.00 -1.45 0.00 0.00 41.25 37.84 3k1f s ASN 71 CO 0.00 -0.41 1.01 -0.69 -3.72 0.00 0.00 177.10 173.30 3k1f s VAL 72 N 0.16 4.62 -0.23 -5.21 1.01 -0.12 -4.75 120.40 115.88 3k1f s VAL 72 Ca 0.15 1.76 -0.12 0.00 0.00 0.00 0.00 61.98 63.78 3k1f s VAL 72 Cb -0.20 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 3k1f s VAL 72 CO -0.04 -0.33 0.22 -0.54 0.00 0.00 0.00 175.10 174.42 3k1f s LYS 73 N 3.37 4.10 0.06 2.72 1.02 -0.93 -1.05 119.74 129.04 3k1f s LYS 73 Ca 0.43 -0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.28 3k1f s LYS 73 Cb -0.14 -3.53 -0.00 0.00 -0.52 0.00 0.00 37.83 33.64 3k1f s LYS 73 CO 0.11 0.05 0.04 2.48 -0.92 0.00 0.00 175.35 177.11 3k1f n TYR 74 N 4.29 -0.05 -3.78 3.18 0.18 0.68 -1.21 117.16 120.45 3k1f n TYR 74 Ca -0.13 -0.46 -0.13 0.00 1.88 0.00 0.00 57.90 59.06 3k1f n TYR 74 Cb 0.52 0.02 -0.12 0.00 -0.38 0.00 0.00 39.34 39.38 3k1f n TYR 74 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 3k1f s ARG 75 N -2.25 0.23 0.03 -3.48 3.52 -1.26 -1.19 118.95 114.55 3k1f s ARG 75 Ca 0.05 0.36 -0.07 0.00 -0.13 0.00 0.00 55.73 55.93 3k1f s ARG 75 Cb 0.00 0.04 -0.00 0.00 -1.56 0.00 0.00 34.95 33.43 3k1f s ARG 75 CO 0.04 -0.07 0.14 0.00 -0.81 0.00 0.00 175.30 174.60 3k1f s ALA 76 N 0.45 -0.22 -0.27 6.12 0.00 -0.44 -1.17 121.76 126.22 3k1f s ALA 76 Ca -0.03 -0.39 -0.28 0.00 0.00 0.00 0.00 51.96 51.26 3k1f s ALA 76 Cb -0.04 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.33 3k1f s ALA 76 CO -0.02 -0.32 1.01 0.08 0.00 0.00 0.00 175.76 176.51 3k1f s VAL 77 N -2.44 4.64 0.15 0.00 1.01 -0.09 -1.77 120.40 121.90 3k1f s VAL 77 Ca -0.06 1.81 0.10 0.00 0.00 0.00 0.00 61.98 63.83 3k1f s VAL 77 Cb -0.02 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3k1f s VAL 77 CO -0.03 -0.29 -0.22 0.68 0.00 0.00 0.00 175.10 175.23 3k1f s VAL 78 N 3.32 2.52 -0.23 2.92 -7.23 0.10 -1.42 120.40 120.38 3k1f s VAL 78 Ca 0.43 -1.75 -0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3k1f s VAL 78 Cb -0.14 -2.17 0.06 0.00 0.56 0.00 0.00 36.38 34.70 3k1f s VAL 78 CO 0.10 0.02 -0.02 0.12 -0.31 0.00 0.00 175.10 175.01 3k1f s PHE 79 N -1.30 2.06 -0.24 2.82 5.36 -0.18 -1.17 117.98 125.33 3k1f s PHE 79 Ca 0.18 -1.57 0.01 0.00 -0.96 0.00 0.00 56.93 54.59 3k1f s PHE 79 Cb -0.09 -1.49 0.06 0.00 -0.34 0.00 0.00 43.02 41.16 3k1f s PHE 79 CO 0.09 -0.75 -0.05 0.21 -1.46 0.00 0.00 175.22 173.26 3k1f s LYS 80 N 1.51 1.66 0.55 10.12 2.20 -1.26 -1.18 119.74 133.34 3k1f s LYS 80 Ca -0.03 -1.03 -0.08 0.00 -0.36 0.00 0.00 55.97 54.47 3k1f s LYS 80 Cb -0.18 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 3k1f s LYS 80 CO -0.08 -0.60 0.90 -1.25 -0.36 0.00 0.00 175.35 173.96 3k1f s PRO 81 N 1.37 3.54 0.11 4.03 0.04 -1.26 -4.98 135.00 137.85 3k1f s PRO 81 Ca -0.06 0.44 -0.03 0.00 0.04 0.00 0.00 61.00 61.39 3k1f s PRO 81 Cb -0.19 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 3k1f s PRO 81 CO -0.06 -0.39 0.08 -0.06 0.04 0.00 0.00 177.00 176.61 3k1f s PHE 82 N -2.95 0.67 0.37 0.56 0.40 -1.26 -5.03 117.98 110.74 3k1f s PHE 82 Ca 0.51 -1.08 -0.28 0.00 -0.60 0.00 0.00 56.93 55.48 3k1f s PHE 82 Cb -0.11 -0.37 -0.10 0.00 0.51 0.00 0.00 43.02 42.96 3k1f s PHE 82 CO 0.49 -0.52 1.38 0.21 0.70 0.00 0.00 175.22 177.48 3k1f s LYS 83 N -3.99 4.14 0.00 0.44 2.36 -1.26 -2.47 119.74 118.95 3k1f s LYS 83 Ca 0.18 2.34 0.00 0.00 -2.55 0.00 0.00 55.97 55.94 3k1f s LYS 83 Cb 0.07 -2.94 0.00 0.00 -1.05 0.00 0.00 37.83 33.91 3k1f s LYS 83 CO -0.02 -0.42 0.00 0.41 1.55 0.00 0.00 175.35 176.87 3k1f n GLY 84 N 0.64 3.20 3.71 5.54 0.00 0.54 -4.99 105.19 113.82 3k1f n GLY 84 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3k1f n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k1f s GLU 85 N -0.41 4.19 -0.35 1.61 2.12 -1.03 -4.74 118.70 120.08 3k1f s GLU 85 Ca 0.00 2.42 -0.10 0.00 0.36 0.00 0.00 54.97 57.66 3k1f s GLU 85 Cb 0.00 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 31.12 3k1f s GLU 85 CO 0.00 -0.69 0.17 0.08 -0.54 0.00 0.00 175.26 174.28 3k1f s VAL 86 N 1.66 4.41 0.02 3.70 1.01 -1.26 -1.54 120.40 128.39 3k1f s VAL 86 Ca 0.73 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3k1f s VAL 86 Cb -0.44 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3k1f s VAL 86 CO 0.32 -0.14 -0.07 0.68 0.00 0.00 0.00 175.10 175.89 3k1f s VAL 87 N 1.54 0.54 0.25 2.92 -7.23 -0.36 -4.96 120.40 113.10 3k1f s VAL 87 Ca 0.02 -0.70 -0.11 0.00 -1.81 0.00 0.00 61.98 59.38 3k1f s VAL 87 Cb -0.19 -0.54 -0.08 0.00 0.56 0.00 0.00 36.38 36.14 3k1f s VAL 87 CO 0.06 -0.12 0.60 -1.81 -0.31 0.00 0.00 175.10 173.51 3k1f s ASP 88 N -0.89 6.67 0.32 4.85 1.01 -1.26 -1.05 116.67 126.31 3k1f s ASP 88 Ca -0.04 1.02 -0.19 0.00 0.71 0.00 0.00 52.55 54.06 3k1f s ASP 88 Cb -0.06 -2.27 0.04 0.00 1.01 0.00 0.00 42.92 41.64 3k1f s ASP 88 CO 0.00 -0.10 0.78 -0.83 0.21 0.00 0.00 175.17 175.23 3k1f s GLY 89 N -2.32 0.15 -0.12 0.21 0.00 -0.12 -4.76 107.32 100.36 3k1f s GLY 89 Ca 0.49 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.72 3k1f s GLY 89 CO 0.20 -0.08 -0.19 -1.59 0.00 0.00 0.00 173.10 171.44 3k1f s THR 90 N -2.99 2.45 0.52 0.90 2.01 -0.58 -1.01 115.64 116.94 3k1f s THR 90 Ca 0.14 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 3k1f s THR 90 Cb -0.05 -1.98 -0.09 0.00 0.01 0.00 0.00 72.50 70.38 3k1f s THR 90 CO 0.09 0.54 0.67 0.52 -0.69 0.00 0.00 174.62 175.75 3k1f n VAL 91 N 3.57 2.38 0.01 3.82 0.31 -1.01 -0.81 118.33 126.59 3k1f n VAL 91 Ca -0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 3k1f n VAL 91 Cb 0.53 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 3k1f n VAL 91 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3k1f n VAL 92 N -1.32 0.12 -4.41 2.52 0.31 -0.02 -4.30 118.33 111.24 3k1f n VAL 92 Ca 0.11 0.04 -0.24 0.00 -0.01 0.00 0.00 64.34 64.25 3k1f n VAL 92 Cb 0.44 -0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 32.40 3k1f n VAL 92 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3k1f s SER 93 N -4.93 3.94 -0.01 4.52 1.04 -1.24 -4.87 113.70 112.15 3k1f s SER 93 Ca 0.00 -0.90 -0.07 0.00 0.48 0.00 0.00 55.95 55.46 3k1f s SER 93 Cb 0.00 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.63 3k1f s SER 93 CO 0.00 0.02 0.14 0.00 0.98 0.00 0.00 173.24 174.38 3k1f n SER 95 N 1.73 -0.91 0.23 0.00 3.41 -0.36 -4.95 113.62 112.76 3k1f n SER 95 Ca -0.21 -1.84 0.09 0.00 -0.26 0.00 0.00 58.87 56.65 3k1f n SER 95 Cb 0.56 1.58 0.51 0.00 -0.26 0.00 0.00 64.21 66.60 3k1f n SER 95 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3k1f h GLN 96 N 0.00 0.00 0.03 4.33 -0.00 -2.00 -2.97 115.11 114.50 3k1f h GLN 96 Ca -0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.26 3k1f h GLN 96 Cb 0.59 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.08 3k1f h GLN 96 CO 0.19 0.24 -1.03 0.45 -0.00 0.00 0.00 178.83 178.68 3k1f h HIS 97 N 0.00 0.66 0.00 0.06 3.86 -1.98 -3.45 115.15 114.30 3k1f h HIS 97 Ca -0.00 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 3k1f h HIS 97 Cb 0.64 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.04 3k1f h HIS 97 CO 0.00 1.22 0.00 0.41 0.86 0.00 0.00 177.93 180.42 3k1f n GLY 98 N 1.09 -1.22 3.68 2.45 0.00 -1.12 -0.73 105.19 109.35 3k1f n GLY 98 Ca -0.08 -1.47 -0.25 0.00 0.00 0.00 0.00 46.02 44.22 3k1f n GLY 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k1f s PHE 99 N -2.21 2.84 -0.31 1.61 -0.12 -1.01 -1.22 117.98 117.57 3k1f s PHE 99 Ca 0.00 -0.16 -0.03 0.00 -0.05 0.00 0.00 56.93 56.70 3k1f s PHE 99 Cb 0.00 -1.32 0.05 0.00 -0.63 0.00 0.00 43.02 41.12 3k1f s PHE 99 CO 0.00 0.55 0.03 -2.00 -0.05 0.00 0.00 175.22 173.75 3k1f s GLU 100 N -3.33 2.43 -0.15 1.99 2.12 -0.28 -0.94 118.70 120.54 3k1f s GLU 100 Ca 0.30 -1.29 -0.17 0.00 0.36 0.00 0.00 54.97 54.17 3k1f s GLU 100 Cb -0.08 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 3k1f s GLU 100 CO 0.20 -0.66 0.44 0.08 -0.54 0.00 0.00 175.26 174.78 3k1f s VAL 101 N 1.27 5.20 -0.28 3.70 1.01 -0.08 -0.84 120.40 130.37 3k1f s VAL 101 Ca -0.04 0.83 -0.20 0.00 0.00 0.00 0.00 61.98 62.57 3k1f s VAL 101 Cb -0.20 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3k1f s VAL 101 CO -0.01 0.30 0.63 -1.58 0.00 0.00 0.00 175.10 174.45 3k1f s GLN 102 N 0.88 3.99 -0.21 2.72 0.74 0.01 -0.66 119.66 127.13 3k1f s GLN 102 Ca 0.23 0.40 0.00 0.00 0.05 0.00 0.00 55.36 56.04 3k1f s GLN 102 Cb -0.15 -3.70 0.02 0.00 1.10 0.00 0.00 33.01 30.29 3k1f s GLN 102 CO 0.09 -0.51 -0.14 0.08 -0.55 0.00 0.00 175.29 174.26 3k1f s VAL 103 N 2.57 2.41 0.00 1.34 1.01 -0.18 -1.53 120.40 126.03 3k1f s VAL 103 Ca 0.26 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3k1f s VAL 103 Cb -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.09 3k1f s VAL 103 CO 0.10 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3k1f n GLY 104 N 4.62 3.31 0.03 4.51 0.00 -1.26 -1.34 105.19 115.06 3k1f n GLY 104 Ca -0.19 0.01 0.13 0.00 0.00 0.00 0.00 46.02 45.98 3k1f n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k1f n PRO 105 N 14.00 0.08 -3.80 1.61 -0.04 -1.26 -4.91 135.00 140.67 3k1f n PRO 105 Ca 0.00 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 3k1f n PRO 105 Cb 0.00 -1.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.84 3k1f n PRO 105 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3k1f s MET 106 N -3.03 2.80 -0.25 0.54 -2.45 -0.45 -5.03 119.30 111.42 3k1f s MET 106 Ca 0.13 -1.23 0.00 0.00 -1.25 0.00 0.00 55.69 53.34 3k1f s MET 106 Cb 0.17 -2.53 0.04 0.00 1.25 0.00 0.00 34.83 33.75 3k1f s MET 106 CO 0.53 0.12 -0.09 0.15 1.05 0.00 0.00 175.02 176.79 3k1f s LYS 107 N -4.00 2.61 -0.32 4.11 1.02 -1.26 -1.01 119.74 120.89 3k1f s LYS 107 Ca 0.41 -1.12 -0.13 0.00 0.02 0.00 0.00 55.97 55.15 3k1f s LYS 107 Cb -0.06 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 3k1f s LYS 107 CO 0.27 -0.46 0.24 0.08 -0.92 0.00 0.00 175.35 174.56 3k1f s VAL 108 N 1.24 5.28 0.00 3.17 1.01 0.17 -3.40 120.40 127.87 3k1f s VAL 108 Ca -0.03 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 3k1f s VAL 108 Cb -0.18 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3k1f s VAL 108 CO -0.05 0.07 0.72 0.12 0.00 0.00 0.00 175.10 175.95 3k1f s PHE 109 N 1.78 3.68 -0.32 5.22 5.36 0.10 -0.90 117.98 132.90 3k1f s PHE 109 Ca 0.07 1.36 -0.07 0.00 -0.96 0.00 0.00 56.93 57.33 3k1f s PHE 109 Cb -0.17 -2.78 0.02 0.00 -0.34 0.00 0.00 43.02 39.76 3k1f s PHE 109 CO 0.11 0.23 0.09 0.08 -1.46 0.00 0.00 175.22 174.27 3k1f s VAL 110 N 0.19 3.89 0.65 3.12 1.01 -0.11 -1.04 120.40 128.10 3k1f s VAL 110 Ca 0.37 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3k1f s VAL 110 Cb -0.19 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3k1f s VAL 110 CO 0.20 -0.04 1.05 0.28 0.00 0.00 0.00 175.10 176.60 3k1f s THR 111 N 1.46 4.05 0.19 3.92 -1.32 -1.26 -2.40 115.64 120.27 3k1f s THR 111 Ca 0.01 0.76 -0.17 0.00 -1.21 0.00 0.00 61.69 61.08 3k1f s THR 111 Cb -0.18 -3.45 0.16 0.00 -1.51 0.00 0.00 72.50 67.52 3k1f s THR 111 CO 0.03 -0.78 1.63 0.50 -2.21 0.00 0.00 174.62 173.78 3k1f h LYS 112 N -0.30 -0.07 0.00 7.08 1.63 -1.25 -0.65 116.57 123.01 3k1f h LYS 112 Ca -0.45 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.35 3k1f h LYS 112 Cb 1.21 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.86 3k1f h LYS 112 CO 0.58 -0.05 -0.02 0.45 -3.45 0.00 0.00 179.45 176.95 3k1f h HIS 113 N -0.08 0.00 -0.06 1.91 -0.00 -1.93 -1.64 115.15 113.36 3k1f h HIS 113 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 3k1f h HIS 113 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 3k1f h HIS 113 CO -0.49 0.02 0.00 1.28 -0.00 0.00 0.00 177.93 178.74 3k1f n LEU 114 N -3.22 1.07 -4.73 2.43 4.32 -0.26 -4.84 117.00 111.78 3k1f n LEU 114 Ca -0.02 -0.40 -0.28 0.00 -0.02 0.00 0.00 56.01 55.30 3k1f n LEU 114 Cb 0.17 -0.03 -0.07 0.00 -1.62 0.00 0.00 43.42 41.87 3k1f n LEU 114 CO 0.24 0.20 -0.28 -0.04 -1.22 0.00 0.00 177.39 176.29 3k1f s MET 115 N -1.94 2.67 1.16 3.23 -1.94 -0.62 -1.21 119.30 120.66 3k1f s MET 115 Ca 0.37 -0.91 -0.16 0.00 -1.71 0.00 0.00 55.69 53.27 3k1f s MET 115 Cb 0.19 -2.55 0.27 0.00 2.01 0.00 0.00 34.83 34.75 3k1f s MET 115 CO 0.30 0.50 1.07 -1.25 -0.01 0.00 0.00 175.02 175.63 3k1f s PRO 116 N -2.78 -0.90 0.01 2.03 0.04 -1.26 -4.84 135.00 127.30 3k1f s PRO 116 Ca 0.28 0.27 -0.02 0.00 0.04 0.00 0.00 61.00 61.57 3k1f s PRO 116 Cb -0.10 -1.60 -0.01 0.00 0.04 0.00 0.00 34.50 32.83 3k1f s PRO 116 CO 0.21 -3.57 1.04 1.96 0.04 0.00 0.00 177.00 176.67 3k1f h GLN 117 N -2.49 -0.02 -1.07 4.56 7.50 -1.97 -3.06 115.11 118.56 3k1f h GLN 117 Ca -0.51 0.00 0.30 0.00 0.50 0.00 0.00 58.65 58.94 3k1f h GLN 117 Cb 1.32 0.00 -0.11 0.00 0.05 0.00 0.00 27.48 28.74 3k1f h GLN 117 CO 0.44 -0.01 0.67 0.38 -1.50 0.00 0.00 178.83 178.81 3k1f h ASP 118 N -0.02 0.47 -1.96 1.46 2.03 -1.93 -3.40 116.42 113.07 3k1f h ASP 118 Ca 0.01 0.12 -0.55 0.00 -0.73 0.00 0.00 57.03 55.87 3k1f h ASP 118 Cb 0.03 0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 38.59 3k1f h ASP 118 CO -0.05 0.01 1.51 -0.76 -1.03 0.00 0.00 179.24 178.92 3k1f s LEU 119 N -9.88 3.43 -0.06 0.15 1.02 -1.16 -4.35 118.68 107.83 3k1f s LEU 119 Ca -0.09 1.58 0.04 0.00 0.02 0.00 0.00 54.13 55.68 3k1f s LEU 119 Cb 0.27 -3.23 -0.00 0.00 0.02 0.00 0.00 46.19 43.25 3k1f s LEU 119 CO 0.80 -2.19 -0.19 0.42 0.02 0.00 0.00 176.35 175.21 3k1f s THR 120 N 9.21 1.62 0.32 5.49 -4.23 -0.35 -4.90 115.64 122.79 3k1f s THR 120 Ca 0.97 -0.80 -0.28 0.00 -1.18 0.00 0.00 61.69 60.39 3k1f s THR 120 Cb -0.27 -1.40 -0.09 0.00 1.34 0.00 0.00 72.50 72.08 3k1f s THR 120 CO 0.32 0.46 1.14 0.12 -0.54 0.00 0.00 174.62 176.12 3k1f s PHE 121 N 0.14 3.40 -0.26 3.99 5.36 -1.26 -0.28 117.98 129.07 3k1f s PHE 121 Ca -0.08 1.63 -0.02 0.00 -0.96 0.00 0.00 56.93 57.51 3k1f s PHE 121 Cb -0.14 -3.35 0.14 0.00 -0.34 0.00 0.00 43.02 39.33 3k1f s PHE 121 CO 0.04 -0.87 0.38 1.21 -1.46 0.00 0.00 175.22 174.51 3k1f s ASN 122 N -0.91 0.37 0.15 6.13 2.47 -0.31 -4.91 114.94 117.93 3k1f s ASN 122 Ca 0.48 0.02 0.25 0.00 0.42 0.00 0.00 52.86 54.03 3k1f s ASN 122 Cb -0.32 1.07 0.46 0.00 -1.45 0.00 0.00 41.25 41.01 3k1f s ASN 122 CO 0.41 -0.32 1.44 0.00 -3.72 0.00 0.00 177.10 174.92 3k1f h ALA 123 N 8.18 0.70 0.00 1.71 0.00 -1.93 -0.79 119.26 127.13 3k1f h ALA 123 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3k1f h ALA 123 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3k1f h ALA 123 CO 0.27 0.00 -0.07 0.41 0.00 0.00 0.00 179.25 179.87 3k1f n GLY 124 N 1.32 2.24 3.20 0.00 0.00 -1.26 -4.30 105.19 106.39 3k1f n GLY 124 Ca 0.04 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.78 3k1f n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1f s SER 125 N 2.07 -0.84 -0.10 1.61 1.04 -1.26 -5.11 113.70 111.11 3k1f s SER 125 Ca 0.17 0.61 -0.25 0.00 0.48 0.00 0.00 55.95 56.97 3k1f s SER 125 Cb 0.08 1.74 -0.03 0.00 0.10 0.00 0.00 66.02 67.92 3k1f s SER 125 CO 0.00 -0.16 0.77 0.21 0.98 0.00 0.00 173.24 175.05 3k1f s ASN 126 N 2.86 7.01 0.32 7.02 3.04 -1.26 -2.38 114.94 131.54 3k1f s ASN 126 Ca 0.07 1.23 -0.17 0.00 0.04 0.00 0.00 52.86 54.02 3k1f s ASN 126 Cb -0.12 -2.44 -0.09 0.00 -1.54 0.00 0.00 41.25 37.06 3k1f s ASN 126 CO -0.16 -0.23 0.77 -2.16 -3.04 0.00 0.00 177.10 172.28 3k1f s PRO 127 N 1.31 4.11 -0.36 0.43 0.04 -1.26 -5.06 135.00 134.21 3k1f s PRO 127 Ca 0.39 0.80 -0.43 0.00 0.04 0.00 0.00 61.00 61.80 3k1f s PRO 127 Cb -0.18 -2.51 -0.19 0.00 0.04 0.00 0.00 34.50 31.66 3k1f s PRO 127 CO 0.17 0.19 1.41 -2.30 0.04 0.00 0.00 177.00 176.51 3k1f n PRO 128 N -0.12 0.00 -4.08 0.56 -0.02 -1.00 -4.78 135.00 125.55 3k1f n PRO 128 Ca 0.03 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.26 3k1f n PRO 128 Cb 0.53 -1.44 -0.05 0.00 -0.02 0.00 0.00 33.50 32.52 3k1f n PRO 128 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3k1f n SER 129 N 3.24 2.79 -4.10 2.55 3.41 -0.30 -4.61 113.62 116.60 3k1f n SER 129 Ca 0.27 -2.75 -0.28 0.00 -0.26 0.00 0.00 58.87 55.85 3k1f n SER 129 Cb -0.02 0.37 -0.17 0.00 -0.26 0.00 0.00 64.21 64.13 3k1f n SER 129 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3k1f s TYR 130 N -2.50 1.93 0.15 7.33 1.51 -0.28 -1.16 117.35 124.33 3k1f s TYR 130 Ca 0.03 -0.77 0.08 0.00 -1.01 0.00 0.00 57.07 55.40 3k1f s TYR 130 Cb 0.00 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 3k1f s TYR 130 CO 0.02 -0.35 -0.10 -0.65 -1.11 0.00 0.00 175.55 173.36 3k1f s GLN 131 N 0.56 2.07 0.20 -0.62 -0.21 0.62 -1.53 119.66 120.74 3k1f s GLN 131 Ca -0.16 -1.17 -0.23 0.00 0.02 0.00 0.00 55.36 53.82 3k1f s GLN 131 Cb -0.17 -2.21 0.05 0.00 1.00 0.00 0.00 33.01 31.68 3k1f s GLN 131 CO 0.05 0.46 0.76 0.45 -2.12 0.00 0.00 175.29 174.90 3k1f s SER 132 N -2.56 -0.31 0.00 5.90 0.15 -0.27 -1.21 113.70 115.40 3k1f s SER 132 Ca 0.23 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.53 3k1f s SER 132 Cb -0.10 0.62 0.25 0.00 -1.71 0.00 0.00 66.02 65.08 3k1f s SER 132 CO 0.14 -1.11 0.61 -1.20 1.20 0.00 0.00 173.24 172.88 3k1f n SER 133 N -0.43 0.00 0.00 5.45 7.64 -1.26 -3.80 113.62 121.22 3k1f n SER 133 Ca -0.07 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.43 3k1f n SER 133 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 3k1f n SER 133 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3k1f n GLU 134 N -0.76 0.00 -3.50 1.43 0.28 -1.26 -5.14 120.64 111.70 3k1f n GLU 134 Ca 0.03 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.66 3k1f n GLU 134 Cb 0.01 -0.04 -0.07 0.00 1.43 0.00 0.00 31.44 32.77 3k1f n GLU 134 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3k1f s ASP 135 N -1.36 6.49 -0.25 -1.84 1.01 -1.25 -5.07 116.67 114.39 3k1f s ASP 135 Ca 0.00 0.57 -0.03 0.00 0.71 0.00 0.00 52.55 53.80 3k1f s ASP 135 Cb 0.00 -2.20 0.08 0.00 1.01 0.00 0.00 42.92 41.81 3k1f s ASP 135 CO 0.00 0.09 0.09 -0.69 0.21 0.00 0.00 175.17 174.87 3k1f s VAL 136 N 0.45 0.28 -0.34 -1.27 1.01 -1.26 -1.11 120.40 118.17 3k1f s VAL 136 Ca 0.18 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 3k1f s VAL 136 Cb -0.13 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3k1f s VAL 136 CO 0.05 -0.51 0.42 -0.63 0.00 0.00 0.00 175.10 174.42 3k1f s ILE 137 N 1.94 5.12 0.10 2.22 1.01 -0.58 -4.92 121.20 126.08 3k1f s ILE 137 Ca 0.06 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3k1f s ILE 137 Cb -0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3k1f s ILE 137 CO -0.22 -0.10 -0.02 -0.89 0.00 0.00 0.00 174.94 173.71 3k1f s THR 138 N 2.15 0.37 0.00 2.92 2.01 -1.26 -1.13 115.64 120.70 3k1f s THR 138 Ca 0.15 -1.89 0.00 0.00 0.31 0.00 0.00 61.69 60.26 3k1f s THR 138 Cb -0.16 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.59 3k1f s THR 138 CO 0.12 -0.78 0.00 0.00 -0.69 0.00 0.00 174.62 173.27 3k1f n ILE 139 N -0.02 0.00 -2.84 1.82 0.13 -1.26 -1.35 119.36 115.84 3k1f n ILE 139 Ca -0.11 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.42 3k1f n ILE 139 Cb 0.62 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 39.43 3k1f n ILE 139 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3k1f n LYS 140 N 0.00 1.17 -3.32 9.51 4.01 -1.26 -3.57 118.16 124.70 3k1f n LYS 140 Ca 0.00 -3.35 -0.31 0.00 -0.51 0.00 0.00 58.31 54.14 3k1f n LYS 140 Cb 0.00 -1.44 -0.04 0.00 -0.51 0.00 0.00 35.03 33.04 3k1f n LYS 140 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3k1f s SER 141 N -2.90 6.56 -0.23 4.39 1.04 -0.46 -4.74 113.70 117.36 3k1f s SER 141 Ca 0.32 0.88 -0.22 0.00 0.48 0.00 0.00 55.95 57.41 3k1f s SER 141 Cb 0.42 -2.21 -0.02 0.00 0.10 0.00 0.00 66.02 64.31 3k1f s SER 141 CO -0.01 -0.15 0.72 -0.13 0.98 0.00 0.00 173.24 174.65 3k1f s ARG 142 N -3.17 4.17 -0.03 4.02 0.52 -1.26 -2.42 118.95 120.79 3k1f s ARG 142 Ca 0.47 0.74 0.03 0.00 -0.52 0.00 0.00 55.73 56.45 3k1f s ARG 142 Cb -0.11 -3.63 -0.00 0.00 0.52 0.00 0.00 34.95 31.73 3k1f s ARG 142 CO 0.25 -0.40 -0.12 0.42 0.02 0.00 0.00 175.30 175.47 3k1f s ILE 143 N 2.46 0.98 -0.33 1.52 1.09 -0.18 -1.09 121.20 125.65 3k1f s ILE 143 Ca 0.31 -0.48 -0.20 0.00 -1.10 0.00 0.00 60.65 59.17 3k1f s ILE 143 Cb -0.16 -0.85 -0.00 0.00 -1.06 0.00 0.00 42.46 40.39 3k1f s ILE 143 CO 0.09 0.29 0.64 -0.60 -0.10 0.00 0.00 174.94 175.26 3k1f s ARG 144 N 0.07 3.80 0.08 2.79 3.52 0.41 -0.94 118.95 128.68 3k1f s ARG 144 Ca -0.02 0.20 0.10 0.00 -0.13 0.00 0.00 55.73 55.88 3k1f s ARG 144 Cb -0.09 -3.77 -0.03 0.00 -1.56 0.00 0.00 34.95 29.51 3k1f s ARG 144 CO 0.01 -0.65 -0.26 0.08 -0.81 0.00 0.00 175.30 173.67 3k1f s VAL 145 N 2.68 2.27 -0.37 7.11 1.01 -0.22 -1.24 120.40 131.63 3k1f s VAL 145 Ca 0.25 -1.51 -0.09 0.00 0.00 0.00 0.00 61.98 60.63 3k1f s VAL 145 Cb -0.15 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.34 3k1f s VAL 145 CO 0.13 0.25 0.19 -0.75 0.00 0.00 0.00 175.10 174.93 3k1f s LYS 146 N -1.59 2.70 0.22 2.72 2.20 -0.70 -1.22 119.74 124.08 3k1f s LYS 146 Ca 0.13 -1.20 -0.31 0.00 -0.36 0.00 0.00 55.97 54.23 3k1f s LYS 146 Cb -0.10 -3.66 -0.11 0.00 -1.51 0.00 0.00 37.83 32.45 3k1f s LYS 146 CO 0.04 -0.75 1.57 0.42 -0.36 0.00 0.00 175.35 176.27 3k1f s ILE 147 N 1.48 2.40 -0.06 5.43 1.01 -0.59 -0.88 121.20 129.98 3k1f s ILE 147 Ca 0.01 0.31 0.09 0.00 0.00 0.00 0.00 60.65 61.05 3k1f s ILE 147 Cb -0.20 -3.20 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 3k1f s ILE 147 CO 0.04 0.04 0.09 -0.62 0.00 0.00 0.00 174.94 174.49 3k1f n GLU 148 N 3.15 1.81 -3.54 2.79 -0.58 0.60 -0.34 120.64 124.54 3k1f n GLU 148 Ca 0.11 -0.03 -0.18 0.00 -0.42 0.00 0.00 57.16 56.64 3k1f n GLU 148 Cb 0.38 -1.23 -0.06 0.00 -0.57 0.00 0.00 31.44 29.96 3k1f n GLU 148 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3k1f s GLY 149 N -3.79 -0.56 0.03 0.62 0.00 -1.12 -4.80 107.32 97.71 3k1f s GLY 149 Ca -0.04 1.32 0.07 0.00 0.00 0.00 0.00 44.72 46.07 3k1f s GLY 149 CO 0.38 0.97 -0.21 0.00 0.00 0.00 0.00 173.10 174.24 3k1f s ILE 151 N -0.75 2.03 -0.47 0.00 1.09 -0.04 -5.00 121.20 118.06 3k1f s ILE 151 Ca 0.08 -0.99 -0.23 0.00 -1.10 0.00 0.00 60.65 58.41 3k1f s ILE 151 Cb -0.09 -1.87 0.03 0.00 -1.06 0.00 0.00 42.46 39.47 3k1f s ILE 151 CO 0.01 0.47 0.79 -0.94 -0.10 0.00 0.00 174.94 175.17 3k1f s SER 152 N 1.29 6.38 0.15 3.58 1.04 -1.26 -1.77 113.70 123.11 3k1f s SER 152 Ca 0.04 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3k1f s SER 152 Cb -0.14 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3k1f s SER 152 CO -0.12 -0.95 0.01 0.00 0.98 0.00 0.00 173.24 173.16 3k1f n GLN 153 N 6.76 1.59 0.00 4.02 6.02 -0.21 -5.02 117.38 130.54 3k1f n GLN 153 Ca 0.01 -1.10 0.00 0.00 -0.01 0.00 0.00 57.00 55.90 3k1f n GLN 153 Cb 0.48 0.28 0.00 0.00 1.02 0.00 0.00 30.24 32.01 3k1f n GLN 153 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3k1f n VAL 154 N -0.43 0.00 -1.92 5.09 0.24 -1.26 -3.79 118.33 116.26 3k1f n VAL 154 Ca -0.06 0.30 0.05 0.00 -2.04 0.00 0.00 64.34 62.60 3k1f n VAL 154 Cb 0.19 -0.54 0.12 0.00 -1.47 0.00 0.00 33.84 32.14 3k1f n VAL 154 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3k1f n SER 155 N -0.20 1.39 -4.04 -1.34 3.41 -1.26 -4.75 113.62 106.83 3k1f n SER 155 Ca 0.00 -3.00 -0.13 0.00 -0.26 0.00 0.00 58.87 55.48 3k1f n SER 155 Cb 0.00 -0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 63.42 3k1f n SER 155 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3k1f s SER 156 N -2.60 0.75 -0.04 4.04 1.04 -1.25 -4.28 113.70 111.36 3k1f s SER 156 Ca 0.34 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 3k1f s SER 156 Cb 0.35 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.53 3k1f s SER 156 CO -0.09 -0.19 0.05 -0.63 0.98 0.00 0.00 173.24 173.36 3k1f s ILE 157 N -1.25 -0.03 0.33 -1.02 1.01 -1.26 -1.04 121.20 117.94 3k1f s ILE 157 Ca -0.09 0.37 0.09 0.00 0.00 0.00 0.00 60.65 61.02 3k1f s ILE 157 Cb -0.09 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 42.12 3k1f s ILE 157 CO 0.00 0.19 0.02 -1.00 0.00 0.00 0.00 174.94 174.15 3k1f s HIS 158 N 2.08 2.58 0.13 3.97 3.76 -0.73 -4.53 115.29 122.55 3k1f s HIS 158 Ca 0.04 -0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 54.51 3k1f s HIS 158 Cb -0.12 -1.44 -0.02 0.00 1.11 0.00 0.00 32.58 32.11 3k1f s HIS 158 CO -0.03 0.49 0.15 0.00 -0.85 0.00 0.00 174.74 174.50 3k1f s ALA 159 N -2.48 0.34 -0.20 -1.40 0.00 -1.22 -0.86 121.76 115.95 3k1f s ALA 159 Ca 0.34 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3k1f s ALA 159 Cb -0.02 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.87 3k1f s ALA 159 CO 0.20 -0.54 -0.17 0.42 0.00 0.00 0.00 175.76 175.67 3k1f s ILE 160 N -3.98 2.03 0.12 0.00 1.09 -0.36 -0.72 121.20 119.38 3k1f s ILE 160 Ca 0.17 -1.07 0.11 0.00 -1.10 0.00 0.00 60.65 58.75 3k1f s ILE 160 Cb 0.06 -1.91 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 3k1f s ILE 160 CO -0.02 0.39 -0.26 -0.83 -0.10 0.00 0.00 174.94 174.12 3k1f s GLY 161 N 1.27 1.57 0.20 6.18 0.00 -0.21 -0.29 107.32 116.04 3k1f s GLY 161 Ca 0.02 -1.44 0.06 0.00 0.00 0.00 0.00 44.72 43.36 3k1f s GLY 161 CO -0.11 -1.41 0.11 -1.35 0.00 0.00 0.00 173.10 170.34 3k1f s SER 162 N -1.97 5.25 0.00 1.64 1.04 -0.06 -4.18 113.70 115.42 3k1f s SER 162 Ca 0.14 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3k1f s SER 162 Cb -0.10 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.74 3k1f s SER 162 CO 0.06 0.04 0.20 2.30 0.98 0.00 0.00 173.24 176.82 3k1f n ILE 163 N -0.55 0.02 0.14 -1.02 -5.35 -0.35 -1.72 119.36 110.53 3k1f n ILE 163 Ca -0.08 -0.18 0.01 0.00 -0.27 0.00 0.00 62.75 62.23 3k1f n ILE 163 Cb 0.56 1.61 0.33 0.00 -1.74 0.00 0.00 39.64 40.40 3k1f n ILE 163 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3k1f h LYS 164 N 0.00 0.15 -7.18 6.28 3.64 -1.76 -3.37 116.57 114.33 3k1f h LYS 164 Ca 0.00 -0.05 -0.48 0.00 -1.27 0.00 0.00 60.65 58.85 3k1f h LYS 164 Cb 0.36 -0.01 0.04 0.00 -0.41 0.00 0.00 32.23 32.21 3k1f h LYS 164 CO 0.00 0.44 0.38 -1.83 -2.27 0.00 0.00 179.45 176.17 3k1f s GLU 165 N -4.37 3.57 0.70 1.90 1.03 -1.26 -4.84 118.70 115.43 3k1f s GLU 165 Ca -0.04 1.15 -0.16 0.00 0.03 0.00 0.00 54.97 55.95 3k1f s GLU 165 Cb 0.14 -2.07 -0.05 0.00 -0.80 0.00 0.00 34.13 31.35 3k1f s GLU 165 CO 0.74 -0.60 0.47 -0.25 -1.33 0.00 0.00 175.26 174.29 3k1f n ASP 166 N -1.74 -1.39 -0.90 0.83 10.43 -1.26 -3.56 116.55 118.95 3k1f n ASP 166 Ca 0.08 0.60 -0.12 0.00 2.57 0.00 0.00 54.79 57.92 3k1f n ASP 166 Cb 0.53 -1.19 -0.05 0.00 1.84 0.00 0.00 41.12 42.26 3k1f n ASP 166 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3k1f n TYR 167 N -2.27 0.00 -3.12 1.24 4.02 -1.26 -4.99 117.16 110.78 3k1f n TYR 167 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 3k1f n TYR 167 Cb 0.50 -2.73 0.00 0.00 -0.02 0.00 0.00 39.34 37.09 3k1f n TYR 167 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3k1f n LEU 168 N -1.34 0.00 0.00 7.72 4.77 -1.23 -4.98 117.00 121.93 3k1f n LEU 168 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3k1f n LEU 168 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3k1f n LEU 168 CO 0.18 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 3k1f n GLY 169 N 5.00 -1.01 3.69 -0.72 0.00 -0.37 -4.86 105.19 106.92 3k1f n GLY 169 Ca 0.00 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 3k1f n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1f n ALA 170 N 2.85 1.14 0.15 4.61 0.00 -1.26 -0.44 120.51 127.56 3k1f n ALA 170 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 53.44 53.71 3k1f n ALA 170 Cb 0.00 -2.24 0.02 0.00 0.00 0.00 0.00 19.45 17.22 3k1f n ALA 170 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94