#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kko s PRO 12 N 0.00 4.38 -0.20 1.47 0.04 -1.26 -4.82 135.00 134.61 3kko s PRO 12 Ca 0.00 1.87 -0.09 0.00 0.04 0.00 0.00 61.00 62.82 3kko s PRO 12 Cb 0.00 -2.97 -0.05 0.00 0.04 0.00 0.00 34.50 31.53 3kko s PRO 12 CO 0.00 -0.04 0.11 0.99 0.04 0.00 0.00 177.00 178.09 3kko s THR 13 N -1.27 5.11 -0.21 1.26 2.01 -1.26 -1.35 115.64 119.93 3kko s THR 13 Ca 0.50 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 3kko s THR 13 Cb -0.32 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3kko s THR 13 CO 0.42 0.43 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.41 3kko s TYR 14 N 0.54 2.95 -0.50 4.92 2.02 -0.01 -4.98 117.35 122.29 3kko s TYR 14 Ca 0.06 -0.85 -0.22 0.00 -0.37 0.00 0.00 57.07 55.68 3kko s TYR 14 Cb -0.12 -2.07 0.04 0.00 -0.40 0.00 0.00 41.96 39.41 3kko s TYR 14 CO 0.00 -0.47 0.79 0.15 -1.57 0.00 0.00 175.55 174.45 3kko s LYS 15 N 1.27 3.30 -0.32 -0.62 1.02 -1.26 -0.92 119.74 122.21 3kko s LYS 15 Ca 0.03 -0.36 -0.12 0.00 0.02 0.00 0.00 55.97 55.54 3kko s LYS 15 Cb -0.14 -4.01 -0.02 0.00 -0.52 0.00 0.00 37.83 33.13 3kko s LYS 15 CO -0.02 -1.25 0.21 -0.51 -0.92 0.00 0.00 175.35 172.86 3kko s LEU 16 N 3.31 4.34 -0.21 3.17 1.43 -0.13 -0.27 118.68 130.33 3kko s LEU 16 Ca 0.26 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 3kko s LEU 16 Cb -0.14 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3kko s LEU 16 CO 0.19 -0.20 0.04 -0.69 0.23 0.00 0.00 176.35 175.92 3kko s VAL 17 N 1.70 4.34 -0.28 -1.59 1.01 -0.19 -0.41 120.40 124.98 3kko s VAL 17 Ca 0.06 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 3kko s VAL 17 Cb -0.17 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3kko s VAL 17 CO 0.09 0.40 0.18 -0.69 0.00 0.00 0.00 175.10 175.08 3kko s VAL 18 N 1.04 5.14 0.25 2.92 1.01 0.28 -1.15 120.40 129.88 3kko s VAL 18 Ca 0.03 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.15 3kko s VAL 18 Cb -0.14 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3kko s VAL 18 CO 0.03 0.24 -0.09 0.68 0.00 0.00 0.00 175.10 175.96 3kko s VAL 19 N 1.73 1.64 0.00 2.92 -7.23 -0.11 -2.97 120.40 116.39 3kko s VAL 19 Ca 0.07 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3kko s VAL 19 Cb -0.16 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.49 3kko s VAL 19 CO 0.10 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 3kko n GLY 20 N -0.50 3.37 3.62 2.32 0.00 -1.26 -0.49 105.19 112.25 3kko n GLY 20 Ca -0.06 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 3kko n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kko n ASP 21 N 0.00 -0.12 -4.65 1.61 10.43 -1.26 -4.06 116.55 118.50 3kko n ASP 21 Ca 0.00 0.35 -0.45 0.00 2.57 0.00 0.00 54.79 57.26 3kko n ASP 21 Cb 0.00 -1.43 -0.02 0.00 1.84 0.00 0.00 41.12 41.51 3kko n ASP 21 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kko n GLY 22 N 0.48 0.47 2.57 0.44 0.00 -1.13 -3.15 105.19 104.87 3kko n GLY 22 Ca 0.11 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3kko n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kko n GLY 23 N 1.65 0.64 0.11 -0.02 0.00 -1.26 -4.89 105.19 101.42 3kko n GLY 23 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3kko n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kko n VAL 24 N -2.48 0.68 0.00 1.61 0.24 -1.19 -4.90 118.33 112.29 3kko n VAL 24 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3kko n VAL 24 Cb 0.03 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 3kko n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kko n GLY 25 N 0.76 1.60 0.16 7.63 0.00 -1.26 -4.51 105.19 109.57 3kko n GLY 25 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3kko n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kko h LYS 26 N 0.00 0.45 -0.36 1.61 1.57 -1.90 -1.00 116.57 116.93 3kko h LYS 26 Ca 0.00 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 3kko h LYS 26 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3kko h LYS 26 CO 0.00 0.47 -0.28 0.77 -0.57 0.00 0.00 179.45 179.85 3kko h SER 27 N 0.33 0.87 -0.79 0.86 0.02 -1.96 -1.88 113.55 111.01 3kko h SER 27 Ca 0.10 -0.44 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3kko h SER 27 Cb 0.20 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 3kko h SER 27 CO -0.01 1.13 0.51 0.00 -1.14 0.00 0.00 176.83 177.32 3kko h ALA 28 N 0.77 1.03 -0.36 3.77 0.00 -1.89 0.47 119.26 123.04 3kko h ALA 28 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kko h ALA 28 Cb 0.85 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3kko h ALA 28 CO 0.07 0.34 0.14 -0.07 0.00 0.00 0.00 179.25 179.74 3kko h LEU 29 N 1.00 0.50 -0.39 0.00 3.38 -1.10 -1.27 115.31 117.43 3kko h LEU 29 Ca 0.31 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3kko h LEU 29 Cb -0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3kko h LEU 29 CO -0.10 0.53 0.17 0.74 0.09 0.00 0.00 178.44 179.87 3kko h THR 30 N 0.44 1.18 -0.60 0.22 2.02 -1.05 -1.46 112.91 113.66 3kko h THR 30 Ca 0.12 -0.55 -0.09 0.00 0.77 0.00 0.00 66.41 66.66 3kko h THR 30 Cb 0.19 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3kko h THR 30 CO -0.01 0.20 0.02 0.40 0.37 0.00 0.00 175.52 176.50 3kko h ILE 31 N 0.49 1.26 -0.44 3.11 2.04 -0.87 -1.07 117.51 122.04 3kko h ILE 31 Ca 0.13 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 64.90 3kko h ILE 31 Cb 0.16 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3kko h ILE 31 CO -0.01 0.40 0.26 1.56 0.00 0.00 0.00 178.15 180.36 3kko h GLN 32 N 0.95 0.51 -0.63 2.37 1.08 -1.11 0.86 115.11 119.14 3kko h GLN 32 Ca 0.17 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.37 3kko h GLN 32 Cb 0.52 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 3kko h GLN 32 CO 0.03 0.33 0.39 0.35 -0.95 0.00 0.00 178.83 178.98 3kko h PHE 33 N 0.52 0.74 0.10 2.96 -0.00 -0.86 -1.28 116.94 119.12 3kko h PHE 33 Ca 0.17 0.02 -0.25 0.00 -0.00 0.00 0.00 57.97 57.92 3kko h PHE 33 Cb 0.01 -0.24 -0.00 0.00 -0.00 0.00 0.00 35.95 35.71 3kko h PHE 33 CO -0.07 0.43 -1.25 0.74 -0.00 0.00 0.00 178.31 178.16 3kko h PHE 34 N 0.78 0.38 0.00 0.41 0.04 -1.04 -3.42 116.94 114.08 3kko h PHE 34 Ca 0.25 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3kko h PHE 34 Cb -0.00 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3kko h PHE 34 CO -0.05 1.49 -0.84 1.04 -0.60 0.00 0.00 178.31 179.35 3kko n GLN 35 N -4.03 2.31 -2.16 1.51 6.02 0.30 -4.99 117.38 116.32 3kko n GLN 35 Ca -0.24 -0.03 -0.18 0.00 -0.01 0.00 0.00 57.00 56.54 3kko n GLN 35 Cb 0.84 -1.13 -0.02 0.00 1.02 0.00 0.00 30.24 30.95 3kko n GLN 35 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kko n LYS 36 N -1.46 -1.40 -4.39 -1.09 5.02 -0.48 -4.98 118.16 109.38 3kko n LYS 36 Ca 0.01 0.93 -0.25 0.00 -2.02 0.00 0.00 58.31 56.98 3kko n LYS 36 Cb 0.22 -5.38 -0.11 0.00 -0.02 0.00 0.00 35.03 29.74 3kko n LYS 36 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3kko s ILE 37 N -2.85 2.17 -0.24 -0.18 -4.36 -1.26 -4.98 121.20 109.50 3kko s ILE 37 Ca 0.00 -2.01 -0.11 0.00 -0.26 0.00 0.00 60.65 58.27 3kko s ILE 37 Cb 0.00 -2.03 -0.05 0.00 1.25 0.00 0.00 42.46 41.63 3kko s ILE 37 CO 0.00 -0.20 0.16 0.12 0.24 0.00 0.00 174.94 175.26 3kko s PHE 38 N -1.85 3.33 -0.28 1.37 5.36 -1.26 -3.38 117.98 121.27 3kko s PHE 38 Ca 0.19 0.24 -0.20 0.00 -0.96 0.00 0.00 56.93 56.21 3kko s PHE 38 Cb -0.07 -2.26 -0.02 0.00 -0.34 0.00 0.00 43.02 40.33 3kko s PHE 38 CO 0.09 0.09 0.61 0.14 -1.46 0.00 0.00 175.22 174.69 3kko s VAL 39 N 1.00 4.98 -0.92 3.12 -7.23 -1.26 -4.95 120.40 115.13 3kko s VAL 39 Ca 0.08 0.98 0.25 0.00 -1.81 0.00 0.00 61.98 61.48 3kko s VAL 39 Cb -0.13 -3.95 0.04 0.00 0.56 0.00 0.00 36.38 32.90 3kko s VAL 39 CO 0.04 -0.04 1.44 -0.90 -0.31 0.00 0.00 175.10 175.34 3kko n ASP 40 N 5.76 0.49 -4.96 4.85 5.68 -1.26 -4.90 116.55 122.21 3kko n ASP 40 Ca -0.01 -0.10 -0.22 0.00 -0.50 0.00 0.00 54.79 53.96 3kko n ASP 40 Cb 0.49 0.16 -0.01 0.00 -1.14 0.00 0.00 41.12 40.62 3kko n ASP 40 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3kko s GLU 41 N -3.04 3.37 -0.51 0.11 2.02 -1.26 -5.08 118.70 114.32 3kko s GLU 41 Ca 0.10 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 3kko s GLU 41 Cb 0.17 -2.76 0.13 0.00 0.10 0.00 0.00 34.13 31.77 3kko s GLU 41 CO 0.69 0.20 0.36 -0.47 0.02 0.00 0.00 175.26 176.06 3kko s TYR 42 N -2.19 3.48 -0.28 1.61 6.04 -1.26 -5.04 117.35 119.71 3kko s TYR 42 Ca 0.39 -2.12 -0.01 0.00 0.04 0.00 0.00 57.07 55.37 3kko s TYR 42 Cb -0.09 -3.42 0.05 0.00 -1.04 0.00 0.00 41.96 37.45 3kko s TYR 42 CO 0.33 -0.97 -0.03 -0.51 -1.54 0.00 0.00 175.55 172.83 3kko s ASP 43 N 2.17 4.69 0.44 4.32 1.01 -1.26 -5.09 116.67 122.94 3kko s ASP 43 Ca 0.09 -1.20 -0.24 0.00 0.71 0.00 0.00 52.55 51.90 3kko s ASP 43 Cb -0.24 -1.67 -0.08 0.00 1.01 0.00 0.00 42.92 41.94 3kko s ASP 43 CO -0.02 -0.22 1.21 -2.16 0.21 0.00 0.00 175.17 174.19 3kko s PRO 44 N 1.24 3.84 0.09 8.23 0.04 -1.26 -5.00 135.00 142.18 3kko s PRO 44 Ca -0.05 1.91 -0.10 0.00 0.04 0.00 0.00 61.00 62.81 3kko s PRO 44 Cb -0.19 -2.55 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 3kko s PRO 44 CO -0.02 -0.52 0.41 0.99 0.04 0.00 0.00 177.00 177.90 3kko s THR 45 N -1.42 5.08 -0.21 1.26 2.01 -1.26 -5.01 115.64 116.08 3kko s THR 45 Ca 0.61 0.46 -0.16 0.00 0.31 0.00 0.00 61.69 62.90 3kko s THR 45 Cb -0.32 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.45 3kko s THR 45 CO 0.40 0.27 -0.31 -0.38 -0.69 0.00 0.00 174.62 173.90 3kko n ILE 46 N 0.84 1.50 -3.62 1.82 5.41 -1.26 -4.22 119.36 119.83 3kko n ILE 46 Ca -0.07 -0.04 -0.02 0.00 1.00 0.00 0.00 62.75 63.62 3kko n ILE 46 Cb 0.52 -2.18 -0.06 0.00 -0.71 0.00 0.00 39.64 37.21 3kko n ILE 46 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3kko s GLU 47 N -2.70 0.41 0.04 0.38 2.56 -1.26 -2.86 118.70 115.27 3kko s GLU 47 Ca -0.31 0.74 0.01 0.00 0.00 0.00 0.00 54.97 55.40 3kko s GLU 47 Cb 0.08 0.13 -0.03 0.00 2.00 0.00 0.00 34.13 36.31 3kko s GLU 47 CO 0.44 -0.09 -0.05 -0.51 -0.56 0.00 0.00 175.26 174.49 3kko s ASP 48 N 1.50 0.59 0.03 -1.70 1.11 -0.47 -5.01 116.67 112.71 3kko s ASP 48 Ca -0.09 -0.67 0.04 0.00 0.18 0.00 0.00 52.55 52.02 3kko s ASP 48 Cb -0.04 0.10 -0.02 0.00 1.07 0.00 0.00 42.92 44.03 3kko s ASP 48 CO -0.16 -0.34 -0.11 -0.94 1.18 0.00 0.00 175.17 174.80 3kko s SER 49 N -1.95 1.25 -0.02 0.27 1.04 -1.26 0.01 113.70 113.04 3kko s SER 49 Ca -0.07 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 55.97 3kko s SER 49 Cb -0.05 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.01 3kko s SER 49 CO -0.03 -0.02 -0.05 -0.31 0.98 0.00 0.00 173.24 173.81 3kko s TYR 50 N -0.85 0.58 -0.04 5.02 1.51 -0.17 -4.96 117.35 118.45 3kko s TYR 50 Ca -0.01 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 3kko s TYR 50 Cb -0.07 -0.45 -0.01 0.00 -0.11 0.00 0.00 41.96 41.32 3kko s TYR 50 CO 0.01 -0.07 -0.21 0.50 -1.11 0.00 0.00 175.55 174.66 3kko s ARG 51 N 0.27 2.03 0.02 -0.62 3.52 -1.26 -0.12 118.95 122.79 3kko s ARG 51 Ca -0.03 -0.75 -0.06 0.00 -0.13 0.00 0.00 55.73 54.75 3kko s ARG 51 Cb -0.07 -1.80 -0.01 0.00 -1.56 0.00 0.00 34.95 31.52 3kko s ARG 51 CO -0.00 0.35 0.11 -1.59 -0.81 0.00 0.00 175.30 173.36 3kko s LYS 52 N -0.18 0.54 -0.30 5.12 -2.85 -0.80 -5.01 119.74 116.26 3kko s LYS 52 Ca -0.00 -0.60 -0.21 0.00 -1.00 0.00 0.00 55.97 54.16 3kko s LYS 52 Cb -0.11 0.22 -0.01 0.00 -2.06 0.00 0.00 37.83 35.87 3kko s LYS 52 CO 0.02 -0.13 0.66 -1.01 0.10 0.00 0.00 175.35 174.98 3kko s HIS 53 N -2.06 3.21 0.14 1.78 3.76 -1.26 -0.86 115.29 120.00 3kko s HIS 53 Ca -0.09 0.62 0.02 0.00 -0.15 0.00 0.00 55.06 55.46 3kko s HIS 53 Cb -0.04 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 3kko s HIS 53 CO -0.02 -0.49 -0.04 -0.08 -0.85 0.00 0.00 174.74 173.26 3kko s THR 54 N 2.67 0.78 -0.21 1.30 -1.32 0.58 -4.99 115.64 114.46 3kko s THR 54 Ca 0.26 -1.98 -0.07 0.00 -1.21 0.00 0.00 61.69 58.70 3kko s THR 54 Cb -0.15 -1.90 -0.03 0.00 -1.51 0.00 0.00 72.50 68.90 3kko s THR 54 CO 0.12 -0.68 0.05 -0.70 -2.21 0.00 0.00 174.62 171.20 3kko s GLU 55 N -3.85 3.80 -0.07 7.08 2.56 -1.26 -0.49 118.70 126.47 3kko s GLU 55 Ca 0.18 -0.42 -0.00 0.00 0.00 0.00 0.00 54.97 54.72 3kko s GLU 55 Cb 0.05 -3.22 0.03 0.00 2.00 0.00 0.00 34.13 32.98 3kko s GLU 55 CO 0.00 0.07 -0.02 0.42 -0.56 0.00 0.00 175.26 175.17 3kko s ILE 56 N 0.90 0.50 -1.50 -3.70 1.01 -0.73 -4.83 121.20 112.84 3kko s ILE 56 Ca 0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 3kko s ILE 56 Cb -0.14 -0.59 0.07 0.00 0.01 0.00 0.00 42.46 41.81 3kko s ILE 56 CO 0.02 0.26 0.77 0.47 0.00 0.00 0.00 174.94 176.46 3kko n ASP 57 N 4.71 -2.87 -1.84 3.58 8.00 -1.26 -1.63 116.55 125.25 3kko n ASP 57 Ca -0.14 -0.89 -0.21 0.00 0.71 0.00 0.00 54.79 54.26 3kko n ASP 57 Cb 0.50 -3.49 -0.07 0.00 -0.02 0.00 0.00 41.12 38.04 3kko n ASP 57 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kko n ASN 58 N -2.87 -5.57 -4.19 -2.24 4.13 -1.26 -4.98 115.26 98.28 3kko n ASN 58 Ca -0.09 0.36 -0.33 0.00 1.68 0.00 0.00 54.58 56.21 3kko n ASN 58 Cb 0.58 -4.84 -0.16 0.00 -1.54 0.00 0.00 39.78 33.82 3kko n ASN 58 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3kko s GLN 59 N -4.13 3.05 0.28 3.52 -0.21 -0.64 -5.11 119.66 116.41 3kko s GLN 59 Ca 0.00 -0.84 -0.30 0.00 0.02 0.00 0.00 55.36 54.24 3kko s GLN 59 Cb 0.00 -2.46 -0.11 0.00 1.00 0.00 0.00 33.01 31.44 3kko s GLN 59 CO 0.00 -0.01 1.58 -1.58 -2.12 0.00 0.00 175.29 173.16 3kko s TRP 60 N 0.81 2.79 -0.03 0.91 0.52 -1.26 -1.78 118.94 120.90 3kko s TRP 60 Ca -0.07 0.80 -0.08 0.00 0.02 0.00 0.00 56.10 56.76 3kko s TRP 60 Cb -0.15 -4.04 0.01 0.00 -1.15 0.00 0.00 33.47 28.14 3kko s TRP 60 CO -0.02 -3.50 0.19 0.00 0.02 0.00 0.00 176.95 173.65 3kko s ALA 61 N 0.05 -0.47 -0.22 0.98 0.00 0.35 -4.47 121.76 117.98 3kko s ALA 61 Ca 0.63 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 3kko s ALA 61 Cb -0.47 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 3kko s ALA 61 CO 0.47 -0.17 0.50 0.42 0.00 0.00 0.00 175.76 176.98 3kko s ILE 62 N -0.76 5.10 -0.23 0.00 1.01 -0.46 -0.31 121.20 125.56 3kko s ILE 62 Ca -0.09 0.90 -0.10 0.00 0.00 0.00 0.00 60.65 61.37 3kko s ILE 62 Cb -0.05 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 3kko s ILE 62 CO 0.01 0.16 0.13 -0.76 0.00 0.00 0.00 174.94 174.48 3kko s LEU 63 N 1.82 3.99 -0.38 2.97 1.02 -0.04 -0.83 118.68 127.24 3kko s LEU 63 Ca 0.23 0.08 -0.07 0.00 0.02 0.00 0.00 54.13 54.39 3kko s LEU 63 Cb -0.15 -2.06 0.07 0.00 0.02 0.00 0.00 46.19 44.06 3kko s LEU 63 CO 0.09 0.08 0.18 -0.62 0.02 0.00 0.00 176.35 176.10 3kko s ASP 64 N 0.94 5.43 -0.27 2.29 2.15 -0.10 -1.91 116.67 125.19 3kko s ASP 64 Ca 0.06 -1.42 -0.17 0.00 0.43 0.00 0.00 52.55 51.46 3kko s ASP 64 Cb -0.13 -1.91 -0.03 0.00 -0.30 0.00 0.00 42.92 40.55 3kko s ASP 64 CO 0.03 -0.44 0.47 -0.69 -0.17 0.00 0.00 175.17 174.37 3kko s VAL 65 N 1.37 5.10 -0.38 1.11 1.01 0.83 -0.96 120.40 128.48 3kko s VAL 65 Ca 0.01 0.71 -0.16 0.00 0.00 0.00 0.00 61.98 62.55 3kko s VAL 65 Cb -0.21 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3kko s VAL 65 CO 0.01 0.08 0.37 -0.76 0.00 0.00 0.00 175.10 174.80 3kko s LEU 66 N 2.24 4.67 -0.42 3.92 1.02 0.46 -1.00 118.68 129.56 3kko s LEU 66 Ca 0.19 -0.47 -0.17 0.00 0.02 0.00 0.00 54.13 53.70 3kko s LEU 66 Cb -0.16 -2.32 0.02 0.00 0.02 0.00 0.00 46.19 43.76 3kko s LEU 66 CO 0.10 -0.43 0.41 -0.62 0.02 0.00 0.00 176.35 175.83 3kko s ASP 67 N 1.75 6.18 0.46 2.29 2.15 0.10 -0.56 116.67 129.05 3kko s ASP 67 Ca 0.11 -0.72 0.04 0.00 0.43 0.00 0.00 52.55 52.40 3kko s ASP 67 Cb -0.17 -2.21 0.01 0.00 -0.30 0.00 0.00 42.92 40.25 3kko s ASP 67 CO 0.12 -0.55 0.65 0.42 -0.17 0.00 0.00 175.17 175.64 3kko s THR 68 N 2.04 3.21 0.04 1.71 -4.23 -1.16 -1.37 115.64 115.88 3kko s THR 68 Ca 0.11 -0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 59.54 3kko s THR 68 Cb -0.17 -3.15 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 3kko s THR 68 CO 0.13 -0.08 1.13 0.00 -0.54 0.00 0.00 174.62 175.26 3kko s ALA 69 N -2.52 3.32 -0.12 3.99 0.00 -1.13 -4.82 121.76 120.48 3kko s ALA 69 Ca 0.53 0.76 0.15 0.00 0.00 0.00 0.00 51.96 53.40 3kko s ALA 69 Cb -0.10 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 3kko s ALA 69 CO 0.36 -0.37 1.25 0.78 0.00 0.00 0.00 175.76 177.77 3kko h GLY 70 N 6.80 0.00 -4.65 0.00 0.00 -1.81 -3.46 103.07 99.95 3kko h GLY 70 Ca -0.41 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.38 3kko h GLY 70 CO 0.79 0.00 0.77 1.20 0.00 0.00 0.00 176.54 179.30 3kko s GLN 71 N -2.92 4.30 0.64 4.80 -0.21 -1.26 -2.84 119.66 122.17 3kko s GLN 71 Ca 0.02 2.06 0.40 0.00 0.02 0.00 0.00 55.36 57.86 3kko s GLN 71 Cb 0.08 -3.36 2.23 0.00 1.00 0.00 0.00 33.01 32.96 3kko s GLN 71 CO 0.77 -0.49 2.33 0.93 -2.12 0.00 0.00 175.29 176.71 3kko h GLU 72 N 7.17 0.00 -1.03 2.91 4.39 -1.99 -1.37 114.58 124.66 3kko h GLU 72 Ca -0.41 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.55 3kko h GLU 72 Cb 1.20 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.75 3kko h GLU 72 CO 0.88 0.00 0.64 1.49 -1.16 0.00 0.00 179.01 180.87 3kko h GLU 73 N 0.00 0.45 -0.43 2.33 4.81 -1.98 -1.75 114.58 118.01 3kko h GLU 73 Ca -0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3kko h GLU 73 Cb 0.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3kko h GLU 73 CO 0.00 0.30 0.01 1.19 -0.73 0.00 0.00 179.01 179.78 3kko n PHE 74 N -4.72 1.55 0.19 0.92 3.01 -0.51 -4.70 117.46 113.19 3kko n PHE 74 Ca 0.26 -0.83 0.04 0.00 1.01 0.00 0.00 57.45 57.93 3kko n PHE 74 Cb 0.83 -0.43 0.45 0.00 -0.01 0.00 0.00 39.48 40.33 3kko n PHE 74 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3kko h SER 75 N 2.87 0.05 -0.01 4.37 4.64 -1.40 -1.88 113.55 122.18 3kko h SER 75 Ca 0.01 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kko h SER 75 Cb 1.74 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.82 3kko h SER 75 CO 0.37 0.26 0.00 0.00 -0.87 0.00 0.00 176.83 176.59 3kko h ALA 76 N 1.75 0.01 -0.47 5.18 0.00 -1.84 -1.56 119.26 122.33 3kko h ALA 76 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kko h ALA 76 Cb 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3kko h ALA 76 CO 0.03 -0.35 0.25 0.52 0.00 0.00 0.00 179.25 179.70 3kko h MET 77 N -0.26 0.67 -0.47 0.00 2.07 -1.91 -3.03 114.93 112.00 3kko h MET 77 Ca 0.00 -0.08 0.09 0.00 -2.07 0.00 0.00 59.70 57.64 3kko h MET 77 Cb 0.27 -0.13 -0.09 0.00 -1.87 0.00 0.00 31.60 29.78 3kko h MET 77 CO 0.00 0.53 -0.10 -0.09 1.07 0.00 0.00 176.91 178.32 3kko h ARG 78 N 0.63 0.01 -0.97 1.72 2.43 -1.21 -1.95 114.38 115.03 3kko h ARG 78 Ca 0.17 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 3kko h ARG 78 Cb 0.07 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 3kko h ARG 78 CO -0.03 0.01 0.63 1.49 -1.51 0.00 0.00 179.97 180.56 3kko h GLU 79 N 0.01 1.08 -0.61 0.20 4.81 -1.17 -0.32 114.58 118.58 3kko h GLU 79 Ca 0.23 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3kko h GLU 79 Cb 0.35 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3kko h GLU 79 CO -0.47 0.72 0.03 1.96 -0.73 0.00 0.00 179.01 180.51 3kko h GLN 80 N 1.11 1.04 -0.26 1.92 1.08 -1.28 -2.32 115.11 116.40 3kko h GLN 80 Ca 0.42 -0.31 -0.11 0.00 -1.45 0.00 0.00 58.65 57.20 3kko h GLN 80 Cb 0.20 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 3kko h GLN 80 CO -0.17 1.00 -0.32 1.88 -0.95 0.00 0.00 178.83 180.27 3kko h TYR 81 N 0.96 0.63 0.00 2.96 -1.99 -0.77 -3.14 116.97 115.62 3kko h TYR 81 Ca 0.18 -0.16 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 3kko h TYR 81 Cb 0.51 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 3kko h TYR 81 CO 0.04 0.80 -0.09 0.52 -0.00 0.00 0.00 178.16 179.42 3kko h MET 82 N 0.47 0.00 -0.07 4.88 2.86 -0.61 -2.58 114.93 119.87 3kko h MET 82 Ca 0.06 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3kko h MET 82 Cb 0.78 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 3kko h MET 82 CO 0.06 0.09 0.06 0.00 1.06 0.00 0.00 176.91 178.18 3kko h ARG 83 N 0.00 0.00 -0.00 1.72 3.08 -1.38 -1.88 114.38 115.92 3kko h ARG 83 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kko h ARG 83 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3kko h ARG 83 CO 0.01 0.00 -0.08 0.25 -1.07 0.00 0.00 179.97 179.08 3kko n THR 84 N -4.35 0.00 -2.26 2.04 -2.24 -0.97 -4.94 114.28 101.56 3kko n THR 84 Ca -0.01 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 3kko n THR 84 Cb 0.16 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 3kko n THR 84 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kko s GLY 85 N -2.70 2.92 0.04 3.38 0.00 -0.71 -4.79 107.32 105.46 3kko s GLY 85 Ca 0.23 1.03 0.22 0.00 0.00 0.00 0.00 44.72 46.21 3kko s GLY 85 CO 0.51 1.59 0.65 1.22 0.00 0.00 0.00 173.10 177.07 3kko n ASP 86 N 0.33 0.26 -3.54 1.64 8.00 0.63 -4.98 116.55 118.90 3kko n ASP 86 Ca 0.03 0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 3kko n ASP 86 Cb 0.45 1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 43.05 3kko n ASP 86 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3kko s GLY 87 N -4.46 -0.46 0.02 0.44 0.00 -1.05 -4.59 107.32 97.21 3kko s GLY 87 Ca -0.06 0.49 0.04 0.00 0.00 0.00 0.00 44.72 45.19 3kko s GLY 87 CO 0.87 0.16 -0.12 -1.36 0.00 0.00 0.00 173.10 172.65 3kko s PHE 88 N -3.55 1.08 -0.24 1.90 0.40 -0.80 -1.02 117.98 115.76 3kko s PHE 88 Ca 0.05 -0.30 -0.08 0.00 -0.60 0.00 0.00 56.93 56.00 3kko s PHE 88 Cb -0.02 -0.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 3kko s PHE 88 CO -0.07 0.01 0.09 -0.51 0.70 0.00 0.00 175.22 175.43 3kko s LEU 89 N -0.82 3.64 -0.42 -0.37 1.43 -0.30 -1.63 118.68 120.21 3kko s LEU 89 Ca 0.02 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 3kko s LEU 89 Cb -0.07 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.21 3kko s LEU 89 CO 0.01 0.02 0.47 -0.63 0.23 0.00 0.00 176.35 176.44 3kko s ILE 90 N 1.32 5.04 -0.15 -0.59 1.01 -0.42 -0.93 121.20 126.48 3kko s ILE 90 Ca 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 3kko s ILE 90 Cb -0.15 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3kko s ILE 90 CO 0.04 -0.43 -0.00 -0.69 0.00 0.00 0.00 174.94 173.86 3kko s VAL 91 N 2.26 4.24 0.33 2.92 1.01 0.35 -1.02 120.40 130.49 3kko s VAL 91 Ca 0.14 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.94 3kko s VAL 91 Cb -0.16 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 3kko s VAL 91 CO 0.14 0.50 -0.02 -0.72 0.00 0.00 0.00 175.10 175.01 3kko s TYR 92 N 0.16 2.13 -0.16 5.22 1.13 -0.62 -4.03 117.35 121.19 3kko s TYR 92 Ca 0.01 -0.74 -0.06 0.00 -1.41 0.00 0.00 57.07 54.87 3kko s TYR 92 Cb -0.13 -1.34 -0.04 0.00 -1.10 0.00 0.00 41.96 39.36 3kko s TYR 92 CO 0.02 0.28 0.03 0.45 -2.51 0.00 0.00 175.55 173.82 3kko s SER 93 N -3.53 5.40 0.00 -0.18 0.15 -1.26 -0.89 113.70 113.39 3kko s SER 93 Ca 0.33 0.06 0.10 0.00 0.70 0.00 0.00 55.95 57.14 3kko s SER 93 Cb 0.06 -1.85 0.43 0.00 -1.71 0.00 0.00 66.02 62.96 3kko s SER 93 CO 0.15 0.22 1.29 1.33 1.20 0.00 0.00 173.24 177.43 3kko n VAL 94 N 3.24 1.22 1.16 4.45 0.24 -0.47 -0.96 118.33 127.20 3kko n VAL 94 Ca -0.17 0.31 0.12 0.00 -2.04 0.00 0.00 64.34 62.56 3kko n VAL 94 Cb 0.53 -1.14 0.23 0.00 -1.47 0.00 0.00 33.84 31.99 3kko n VAL 94 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3kko n THR 95 N -1.46 0.00 -3.87 3.34 -2.24 -1.26 0.33 114.28 109.12 3kko n THR 95 Ca 0.03 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.32 3kko n THR 95 Cb 0.11 0.75 -0.14 0.00 -2.10 0.00 0.00 70.33 68.95 3kko n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kko s ASP 96 N -2.47 4.29 0.32 3.42 -1.08 -0.14 -4.80 116.67 116.22 3kko s ASP 96 Ca 0.23 -2.23 0.02 0.00 -0.52 0.00 0.00 52.55 50.04 3kko s ASP 96 Cb 0.19 -1.31 0.55 0.00 -1.46 0.00 0.00 42.92 40.89 3kko s ASP 96 CO 0.53 -0.35 1.90 0.11 0.52 0.00 0.00 175.17 177.89 3kko h LYS 97 N 7.41 0.72 -0.91 4.34 1.57 -1.87 -2.23 116.57 125.60 3kko h LYS 97 Ca -0.07 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3kko h LYS 97 Cb 0.98 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 3kko h LYS 97 CO 0.53 0.62 0.50 0.00 -0.57 0.00 0.00 179.45 180.52 3kko h ALA 98 N 1.48 1.17 -0.49 3.86 0.00 -1.94 -1.13 119.26 122.21 3kko h ALA 98 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kko h ALA 98 Cb 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3kko h ALA 98 CO -0.01 0.67 0.28 0.66 0.00 0.00 0.00 179.25 180.84 3kko h SER 99 N 1.27 0.59 -0.10 0.00 4.64 -1.73 -0.32 113.55 117.90 3kko h SER 99 Ca 0.32 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.40 3kko h SER 99 Cb 0.02 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3kko h SER 99 CO -0.05 0.47 -0.73 0.15 -0.87 0.00 0.00 176.83 175.80 3kko h PHE 100 N 0.68 0.92 0.00 4.77 3.57 -1.32 -3.04 116.94 122.52 3kko h PHE 100 Ca 0.18 -0.43 -0.00 0.00 3.53 0.00 0.00 57.97 61.24 3kko h PHE 100 Cb 0.00 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 3kko h PHE 100 CO 0.00 1.25 -0.02 0.93 -2.23 0.00 0.00 178.31 178.24 3kko h GLU 101 N 0.33 0.00 -0.03 1.11 5.08 -0.62 -2.27 114.58 118.18 3kko h GLU 101 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kko h GLU 101 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3kko h GLU 101 CO 0.15 0.02 0.00 0.72 -1.00 0.00 0.00 179.01 178.90 3kko n HIS 102 N -4.08 0.03 -0.24 4.33 8.25 -0.18 -4.09 115.22 119.23 3kko n HIS 102 Ca -0.03 -0.01 -0.02 0.00 -0.26 0.00 0.00 57.72 57.39 3kko n HIS 102 Cb 0.10 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.30 3kko n HIS 102 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3kko h VAL 103 N 1.45 1.04 -0.43 1.59 2.07 -1.42 -2.44 116.25 118.11 3kko h VAL 103 Ca 0.00 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.29 3kko h VAL 103 Cb 0.31 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3kko h VAL 103 CO 0.00 0.14 0.20 -0.78 0.02 0.00 0.00 177.57 177.15 3kko h ASP 104 N 0.79 0.27 -0.69 0.57 3.58 -1.80 -0.33 116.42 118.81 3kko h ASP 104 Ca 0.29 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.81 3kko h ASP 104 Cb 0.10 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.09 3kko h ASP 104 CO -0.14 0.19 0.42 -0.09 -2.88 0.00 0.00 179.24 176.74 3kko h ARG 105 N 0.40 0.79 -0.53 0.28 1.12 -1.76 -0.17 114.38 114.51 3kko h ARG 105 Ca 0.19 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 58.93 3kko h ARG 105 Cb 0.12 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 29.88 3kko h ARG 105 CO -0.15 0.52 0.01 0.74 -3.11 0.00 0.00 179.97 177.98 3kko h PHE 106 N 0.81 1.02 0.04 2.20 -1.00 -0.98 -0.65 116.94 118.38 3kko h PHE 106 Ca 0.29 -0.17 0.01 0.00 2.81 0.00 0.00 57.97 60.91 3kko h PHE 106 Cb 0.07 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 3kko h PHE 106 CO -0.05 0.93 -0.11 1.25 -1.61 0.00 0.00 178.31 178.72 3kko h HIS 107 N 0.81 -0.29 -0.57 -0.55 2.76 -0.70 -0.89 115.15 115.71 3kko h HIS 107 Ca 0.15 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.40 3kko h HIS 107 Cb 0.52 0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.54 3kko h HIS 107 CO 0.04 -0.17 0.26 1.96 -1.30 0.00 0.00 177.93 178.71 3kko h GLN 108 N -0.21 0.46 -0.30 5.26 4.20 -1.00 -2.51 115.11 121.01 3kko h GLN 108 Ca 0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kko h GLN 108 Cb 0.25 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3kko h GLN 108 CO -0.09 0.31 0.19 1.25 -0.67 0.00 0.00 178.83 179.82 3kko h LEU 109 N 0.48 0.35 -0.25 1.46 5.85 -0.79 -1.76 115.31 120.65 3kko h LEU 109 Ca 0.27 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.99 3kko h LEU 109 Cb 0.26 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3kko h LEU 109 CO -0.23 0.28 0.06 0.40 -0.34 0.00 0.00 178.44 178.61 3kko h ILE 110 N 0.39 0.90 -0.69 4.05 2.04 -0.94 0.73 117.51 124.00 3kko h ILE 110 Ca 0.11 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 3kko h ILE 110 Cb -0.01 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3kko h ILE 110 CO -0.02 0.03 0.14 -0.07 0.00 0.00 0.00 178.15 178.23 3kko h LEU 111 N 0.17 1.06 -0.19 1.44 3.38 -1.28 0.21 115.31 120.10 3kko h LEU 111 Ca 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3kko h LEU 111 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3kko h LEU 111 CO -0.14 1.03 0.07 -0.09 0.09 0.00 0.00 178.44 179.40 3kko h ARG 112 N 1.05 0.29 -0.77 1.13 2.43 -1.17 0.24 114.38 117.59 3kko h ARG 112 Ca 0.21 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3kko h ARG 112 Cb 0.40 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3kko h ARG 112 CO 0.01 0.39 0.26 0.28 -1.51 0.00 0.00 179.97 179.39 3kko h VAL 113 N 0.14 1.26 0.00 0.20 2.07 -0.64 -2.78 116.25 116.51 3kko h VAL 113 Ca 0.06 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3kko h VAL 113 Cb 0.21 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3kko h VAL 113 CO -0.00 0.35 -0.52 0.29 0.02 0.00 0.00 177.57 177.72 3kko n LYS 114 N -4.26 0.15 -3.59 1.57 4.76 0.04 -4.85 118.16 111.99 3kko n LYS 114 Ca 0.06 0.05 -0.20 0.00 -2.87 0.00 0.00 58.31 55.36 3kko n LYS 114 Cb 0.22 -1.60 0.06 0.00 -1.84 0.00 0.00 35.03 31.86 3kko n LYS 114 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3kko n ASP 115 N -1.82 -1.51 -4.04 4.39 4.64 0.79 -5.02 116.55 113.98 3kko n ASP 115 Ca 0.04 -0.74 -0.09 0.00 -1.38 0.00 0.00 54.79 52.62 3kko n ASP 115 Cb 0.39 -4.49 -0.11 0.00 -1.04 0.00 0.00 41.12 35.88 3kko n ASP 115 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3kko s ARG 116 N -5.73 0.48 0.41 -0.67 1.81 -0.79 -5.04 118.95 109.43 3kko s ARG 116 Ca 0.00 -0.89 0.23 0.00 -1.72 0.00 0.00 55.73 53.35 3kko s ARG 116 Cb -0.00 0.05 0.61 0.00 -0.45 0.00 0.00 34.95 35.15 3kko s ARG 116 CO 0.78 -0.05 1.69 0.93 -0.68 0.00 0.00 175.30 177.97 3kko h GLU 117 N 4.01 0.00 -3.42 3.54 5.08 -1.95 -3.43 114.58 118.40 3kko h GLU 117 Ca -0.34 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.97 3kko h GLU 117 Cb 1.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 3kko h GLU 117 CO 0.51 0.21 -0.11 -1.54 -1.00 0.00 0.00 179.01 177.08 3kko s SER 118 N -6.20 -0.19 -0.13 1.42 1.04 -1.26 -5.07 113.70 103.31 3kko s SER 118 Ca 0.03 -0.34 -0.29 0.00 0.48 0.00 0.00 55.95 55.84 3kko s SER 118 Cb 0.08 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.72 3kko s SER 118 CO 0.66 -0.82 0.70 0.12 0.98 0.00 0.00 173.24 174.87 3kko s PHE 119 N -3.72 -0.71 -0.00 5.02 2.19 -1.26 -5.07 117.98 114.43 3kko s PHE 119 Ca 0.03 1.44 -0.35 0.00 0.33 0.00 0.00 56.93 58.37 3kko s PHE 119 Cb 0.02 0.36 -0.14 0.00 -1.31 0.00 0.00 43.02 41.95 3kko s PHE 119 CO -0.11 -0.52 1.66 -2.30 1.83 0.00 0.00 175.22 175.78 3kko n PRO 120 N 1.60 1.83 -3.53 10.12 -0.02 -1.26 -4.95 135.00 138.79 3kko n PRO 120 Ca -0.17 0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 61.85 3kko n PRO 120 Cb 0.56 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 3kko n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kko s MET 121 N 2.29 0.87 -0.01 -0.52 0.23 -1.26 -1.90 119.30 119.00 3kko s MET 121 Ca 0.87 0.03 0.03 0.00 -1.03 0.00 0.00 55.69 55.60 3kko s MET 121 Cb -0.79 0.41 -0.01 0.00 -1.53 0.00 0.00 34.83 32.91 3kko s MET 121 CO 0.48 -0.31 -0.11 0.42 -2.03 0.00 0.00 175.02 173.47 3kko s ILE 122 N -1.81 0.92 -0.17 3.16 1.01 -0.64 -4.21 121.20 119.45 3kko s ILE 122 Ca -0.03 -0.48 -0.22 0.00 0.00 0.00 0.00 60.65 59.92 3kko s ILE 122 Cb -0.00 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 3kko s ILE 122 CO 0.01 0.27 0.69 -0.22 0.00 0.00 0.00 174.94 175.68 3kko s LEU 123 N -0.15 4.18 -0.24 2.97 2.96 -0.60 -1.30 118.68 126.50 3kko s LEU 123 Ca 0.02 0.97 -0.00 0.00 -0.22 0.00 0.00 54.13 54.90 3kko s LEU 123 Cb -0.06 -3.00 0.03 0.00 0.50 0.00 0.00 46.19 43.66 3kko s LEU 123 CO -0.00 -0.28 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.96 3kko s VAL 124 N 1.81 2.55 -0.56 1.68 1.01 -0.19 -1.35 120.40 125.36 3kko s VAL 124 Ca 0.32 -1.13 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 3kko s VAL 124 Cb -0.16 -2.29 0.11 0.00 0.00 0.00 0.00 36.38 34.03 3kko s VAL 124 CO 0.12 0.23 0.62 0.00 0.00 0.00 0.00 175.10 176.07 3kko s ALA 125 N 1.27 3.49 0.49 5.51 0.00 -0.37 -1.58 121.76 130.57 3kko s ALA 125 Ca -0.01 -2.27 0.01 0.00 0.00 0.00 0.00 51.96 49.68 3kko s ALA 125 Cb -0.17 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.55 3kko s ALA 125 CO -0.06 -2.20 0.72 1.21 0.00 0.00 0.00 175.76 175.43 3kko s ASN 126 N 3.49 5.61 -0.65 0.00 2.47 -0.07 -1.13 114.94 124.67 3kko s ASN 126 Ca 0.09 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.55 3kko s ASN 126 Cb -0.25 -1.28 0.00 0.00 -1.45 0.00 0.00 41.25 38.26 3kko s ASN 126 CO 0.06 -0.88 0.00 0.29 -3.72 0.00 0.00 177.10 172.85 3kko n LYS 127 N -2.19 -0.59 0.00 0.43 5.02 -0.85 -1.37 118.16 118.60 3kko n LYS 127 Ca 0.04 0.38 0.06 0.00 -2.02 0.00 0.00 58.31 56.77 3kko n LYS 127 Cb 0.58 -4.29 0.28 0.00 -0.02 0.00 0.00 35.03 31.59 3kko n LYS 127 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3kko n VAL 128 N -3.96 1.07 0.24 -0.18 0.24 -1.05 -1.67 118.33 113.02 3kko n VAL 128 Ca -0.09 0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.60 3kko n VAL 128 Cb 0.55 -1.04 0.55 0.00 -1.47 0.00 0.00 33.84 32.43 3kko n VAL 128 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3kko h ASP 129 N 0.00 0.00 -0.39 -1.34 2.03 -1.92 -3.34 116.42 111.46 3kko h ASP 129 Ca 0.00 0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 55.60 3kko h ASP 129 Cb 0.22 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.70 3kko h ASP 129 CO 0.00 0.16 3.32 0.18 -1.03 0.00 0.00 179.24 181.87 3kko n LEU 130 N -3.34 8.36 -0.31 0.15 4.77 -0.67 -4.75 117.00 121.22 3kko n LEU 130 Ca 0.00 -4.52 0.03 0.00 -0.03 0.00 0.00 56.01 51.49 3kko n LEU 130 Cb 0.38 -1.50 0.22 0.00 -2.33 0.00 0.00 43.42 40.18 3kko n LEU 130 CO 0.31 1.98 1.26 0.24 -1.33 0.00 0.00 177.39 179.85 3kko h MET 131 N 4.98 1.04 0.00 3.23 2.86 -1.84 -0.74 114.93 124.45 3kko h MET 131 Ca 0.79 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 58.35 3kko h MET 131 Cb 0.32 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 3kko h MET 131 CO 1.70 0.69 -0.10 0.45 1.06 0.00 0.00 176.91 180.71 3kko h HIS 132 N 1.07 0.00 -0.14 -0.22 3.86 -1.95 -3.03 115.15 114.75 3kko h HIS 132 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 3kko h HIS 132 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3kko h HIS 132 CO -0.00 0.10 0.00 1.28 0.86 0.00 0.00 177.93 180.17 3kko n LEU 133 N -3.32 2.67 -4.69 2.43 4.77 -0.36 -5.00 117.00 113.51 3kko n LEU 133 Ca -0.01 -1.23 -0.42 0.00 -0.03 0.00 0.00 56.01 54.32 3kko n LEU 133 Cb 0.30 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3kko n LEU 133 CO 0.29 0.53 1.28 -0.60 -1.33 0.00 0.00 177.39 177.56 3kko s ARG 134 N -1.34 4.22 -0.05 3.23 3.52 -0.78 -4.42 118.95 123.34 3kko s ARG 134 Ca 0.24 2.23 0.06 0.00 -0.13 0.00 0.00 55.73 58.13 3kko s ARG 134 Cb 0.15 -3.64 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 3kko s ARG 134 CO 0.22 -0.71 0.06 1.63 -0.81 0.00 0.00 175.30 175.70 3kko n LYS 135 N 5.71 2.09 -3.61 5.12 5.02 0.15 -4.96 118.16 127.68 3kko n LYS 135 Ca 0.15 -0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 56.04 3kko n LYS 135 Cb 0.41 -1.16 -0.11 0.00 -0.02 0.00 0.00 35.03 34.15 3kko n LYS 135 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kko s VAL 136 N -2.26 5.19 0.65 -0.18 1.01 -0.77 -5.06 120.40 118.99 3kko s VAL 136 Ca -0.03 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 3kko s VAL 136 Cb 0.03 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3kko s VAL 136 CO 0.27 0.26 1.05 0.42 0.00 0.00 0.00 175.10 177.10 3kko s THR 137 N 1.72 4.37 0.24 3.92 -4.23 -1.26 -4.89 115.64 115.51 3kko s THR 137 Ca 0.07 0.77 -0.05 0.00 -1.18 0.00 0.00 61.69 61.30 3kko s THR 137 Cb -0.16 -3.72 0.20 0.00 1.34 0.00 0.00 72.50 70.17 3kko s THR 137 CO 0.10 -1.01 1.79 -0.09 -0.54 0.00 0.00 174.62 174.87 3kko h ARG 138 N -0.45 0.66 -0.51 3.99 2.43 -1.99 -1.39 114.38 117.12 3kko h ARG 138 Ca -0.44 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3kko h ARG 138 Cb 1.21 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3kko h ARG 138 CO 0.62 0.44 0.31 -0.44 -1.51 0.00 0.00 179.97 179.38 3kko h ASP 139 N 0.68 0.62 -0.50 -3.80 3.45 -1.98 0.18 116.42 115.06 3kko h ASP 139 Ca 0.39 -0.06 -0.12 0.00 0.43 0.00 0.00 57.03 57.68 3kko h ASP 139 Cb 0.43 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 3kko h ASP 139 CO -0.28 0.49 -0.14 1.56 -1.57 0.00 0.00 179.24 179.30 3kko h GLN 140 N 0.69 0.99 -0.14 3.56 4.20 -1.88 -0.58 115.11 121.96 3kko h GLN 140 Ca 0.18 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3kko h GLN 140 Cb -0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3kko h GLN 140 CO -0.03 1.06 0.09 0.78 -0.67 0.00 0.00 178.83 180.05 3kko h GLY 141 N 0.93 0.19 1.03 3.46 0.00 -1.03 -1.79 103.07 105.87 3kko h GLY 141 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 3kko h GLY 141 CO 0.05 0.07 0.28 1.70 0.00 0.00 0.00 176.54 178.64 3kko h LYS 142 N 0.17 1.10 -0.76 4.80 1.63 -0.48 -2.09 116.57 120.95 3kko h LYS 142 Ca 0.05 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.62 3kko h LYS 142 Cb -0.01 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 3kko h LYS 142 CO -0.01 0.91 0.38 1.49 -3.45 0.00 0.00 179.45 178.77 3kko h GLU 143 N 1.05 1.08 -0.34 1.90 4.81 -1.02 -0.08 114.58 121.98 3kko h GLU 143 Ca 0.24 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3kko h GLU 143 Cb 0.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3kko h GLU 143 CO -0.02 0.83 0.22 1.98 -0.73 0.00 0.00 179.01 181.29 3kko h MET 144 N 1.06 0.45 -0.33 1.92 4.05 -1.05 -0.61 114.93 120.41 3kko h MET 144 Ca 0.26 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.63 3kko h MET 144 Cb 0.09 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 3kko h MET 144 CO -0.04 0.30 0.12 0.00 0.23 0.00 0.00 176.91 177.52 3kko h ALA 145 N 1.12 0.43 -0.49 0.39 0.00 -1.13 -2.98 119.26 116.59 3kko h ALA 145 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kko h ALA 145 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3kko h ALA 145 CO -0.03 0.05 0.22 1.15 0.00 0.00 0.00 179.25 180.64 3kko h THR 146 N 0.38 1.17 -0.84 0.00 2.02 -0.92 -0.92 112.91 113.79 3kko h THR 146 Ca 0.11 -0.51 0.13 0.00 0.77 0.00 0.00 66.41 66.90 3kko h THR 146 Cb 0.22 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 3kko h THR 146 CO -0.01 0.21 0.55 0.50 0.37 0.00 0.00 175.52 177.14 3kko h LYS 147 N 0.69 0.66 -0.17 6.66 3.64 -0.95 -1.62 116.57 125.47 3kko h LYS 147 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3kko h LYS 147 Cb 0.10 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3kko h LYS 147 CO -0.02 0.44 0.00 0.66 -2.27 0.00 0.00 179.45 178.25 3kko n TYR 148 N -4.53 0.20 -3.24 1.91 4.01 -0.72 -4.97 117.16 109.82 3kko n TYR 148 Ca 0.16 -0.10 -0.21 0.00 -0.16 0.00 0.00 57.90 57.59 3kko n TYR 148 Cb 0.42 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.51 3kko n TYR 148 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3kko n ASN 149 N 1.41 -5.84 -4.41 7.72 5.15 -0.45 -5.02 115.26 113.82 3kko n ASN 149 Ca 0.16 -0.38 -0.26 0.00 -0.60 0.00 0.00 54.58 53.50 3kko n ASN 149 Cb 0.60 -4.55 -0.12 0.00 -0.53 0.00 0.00 39.78 35.18 3kko n ASN 149 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3kko s ILE 150 N -3.21 2.26 0.88 -1.44 -4.36 -0.63 -5.02 121.20 109.69 3kko s ILE 150 Ca 0.41 -2.04 -0.11 0.00 -0.26 0.00 0.00 60.65 58.66 3kko s ILE 150 Cb -0.18 -2.08 0.12 0.00 1.25 0.00 0.00 42.46 41.57 3kko s ILE 150 CO 0.51 -0.17 1.11 -2.84 0.24 0.00 0.00 174.94 173.79 3kko s PRO 151 N -2.75 1.31 -0.03 0.37 0.02 -1.26 -4.23 135.00 128.43 3kko s PRO 151 Ca 0.20 1.24 0.02 0.00 0.02 0.00 0.00 61.00 62.48 3kko s PRO 151 Cb -0.07 -1.78 0.01 0.00 0.02 0.00 0.00 34.50 32.67 3kko s PRO 151 CO 0.10 -2.33 -0.07 -0.47 -0.33 0.00 0.00 177.00 173.89 3kko s TYR 152 N -2.77 0.88 -0.01 6.54 5.04 -1.26 -1.55 117.35 124.22 3kko s TYR 152 Ca 0.64 -0.24 -0.06 0.00 -2.44 0.00 0.00 57.07 54.97 3kko s TYR 152 Cb -0.20 -0.68 0.00 0.00 0.35 0.00 0.00 41.96 41.43 3kko s TYR 152 CO 0.58 -0.14 0.13 -1.50 -1.34 0.00 0.00 175.55 173.27 3kko s ILE 153 N 0.49 0.07 -0.11 3.14 2.07 -0.45 -4.99 121.20 121.42 3kko s ILE 153 Ca -0.07 -0.56 -0.03 0.00 -1.41 0.00 0.00 60.65 58.57 3kko s ILE 153 Cb -0.11 -0.38 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 3kko s ILE 153 CO 0.01 -0.31 0.02 -1.61 -1.91 0.00 0.00 174.94 171.14 3kko s GLU 154 N -1.09 3.24 0.19 3.50 2.02 -1.26 -1.23 118.70 124.06 3kko s GLU 154 Ca -0.12 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.53 3kko s GLU 154 Cb -0.06 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 31.21 3kko s GLU 154 CO 0.01 0.61 -0.03 0.95 0.02 0.00 0.00 175.26 176.83 3kko s THR 155 N -0.61 0.94 -0.11 3.63 -4.23 -0.28 -4.55 115.64 110.42 3kko s THR 155 Ca 0.10 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 3kko s THR 155 Cb -0.12 -2.14 0.04 0.00 1.34 0.00 0.00 72.50 71.62 3kko s THR 155 CO 0.02 -0.48 0.26 -0.55 -0.54 0.00 0.00 174.62 173.34 3kko s SER 156 N -3.22 -0.29 0.17 3.99 0.15 -0.96 -2.01 113.70 111.52 3kko s SER 156 Ca 0.24 0.56 0.24 0.00 0.70 0.00 0.00 55.95 57.69 3kko s SER 156 Cb 0.05 0.47 0.35 0.00 -1.71 0.00 0.00 66.02 65.18 3kko s SER 156 CO 0.05 -0.15 1.36 0.00 1.20 0.00 0.00 173.24 175.70 3kko h ALA 157 N 6.87 0.65 -2.68 5.45 0.00 -1.90 -0.27 119.26 127.38 3kko h ALA 157 Ca -0.37 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.03 3kko h ALA 157 Cb 1.17 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.02 3kko h ALA 157 CO 0.36 0.00 0.48 0.21 0.00 0.00 0.00 179.25 180.30 3kko s LYS 158 N -3.19 3.74 0.21 0.00 2.20 -1.26 -4.50 119.74 116.94 3kko s LYS 158 Ca 0.06 1.75 -0.30 0.00 -0.36 0.00 0.00 55.97 57.12 3kko s LYS 158 Cb 0.12 -2.38 -0.09 0.00 -1.51 0.00 0.00 37.83 33.97 3kko s LYS 158 CO 0.71 -0.56 1.23 -0.51 -0.36 0.00 0.00 175.35 175.86 3kko s ASP 159 N -1.40 7.02 0.06 1.43 1.01 -1.26 -2.05 116.67 121.49 3kko s ASP 159 Ca 0.64 2.33 -0.30 0.00 0.71 0.00 0.00 52.55 55.93 3kko s ASP 159 Cb -0.28 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 40.98 3kko s ASP 159 CO 0.34 -0.40 1.11 -2.16 0.21 0.00 0.00 175.17 174.27 3kko s PRO 160 N -0.50 4.50 0.55 8.23 0.04 -1.26 -5.11 135.00 141.44 3kko s PRO 160 Ca 0.52 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 63.02 3kko s PRO 160 Cb -0.34 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 30.77 3kko s PRO 160 CO 0.39 -0.14 1.16 -1.25 0.04 0.00 0.00 177.00 177.20 3kko s PRO 161 N 0.82 3.30 -0.16 0.56 0.04 -0.87 -4.97 135.00 133.73 3kko s PRO 161 Ca 0.55 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 3kko s PRO 161 Cb -0.27 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 3kko s PRO 161 CO 0.30 -0.91 -0.09 -1.17 0.04 0.00 0.00 177.00 175.17 3kko s LEU 162 N -3.77 2.87 -1.85 -3.56 2.96 -0.11 -4.78 118.68 110.43 3kko s LEU 162 Ca 0.73 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 3kko s LEU 162 Cb -0.26 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.75 3kko s LEU 162 CO 0.30 0.11 0.00 0.59 -1.32 0.00 0.00 176.35 176.02 3kko n ASN 163 N 3.92 -4.67 0.31 3.68 3.02 -1.26 -2.26 115.26 117.99 3kko n ASN 163 Ca -0.18 0.41 -0.13 0.00 -0.03 0.00 0.00 54.58 54.66 3kko n ASN 163 Cb 0.52 -4.18 -0.06 0.00 -0.61 0.00 0.00 39.78 35.45 3kko n ASN 163 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3kko h VAL 164 N 0.00 0.00 -0.84 2.41 2.07 -1.86 -0.70 116.25 117.33 3kko h VAL 164 Ca -0.36 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 66.89 3kko h VAL 164 Cb 1.16 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3kko h VAL 164 CO 0.53 0.00 0.55 0.44 0.02 0.00 0.00 177.57 179.11 3kko h ASP 165 N -1.10 0.95 -0.60 0.57 3.32 -1.94 -2.73 116.42 114.90 3kko h ASP 165 Ca -0.08 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.01 3kko h ASP 165 Cb 0.63 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3kko h ASP 165 CO 0.14 0.68 0.30 0.50 -1.72 0.00 0.00 179.24 179.14 3kko h LYS 166 N 1.12 0.55 -0.15 3.56 3.64 -1.96 -0.77 116.57 122.56 3kko h LYS 166 Ca 0.31 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 3kko h LYS 166 Cb -0.11 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3kko h LYS 166 CO -0.07 0.36 0.01 1.15 -2.27 0.00 0.00 179.45 178.63 3kko h THR 167 N 0.56 0.91 -0.58 1.00 2.02 -0.80 0.24 112.91 116.25 3kko h THR 167 Ca 0.27 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.37 3kko h THR 167 Cb 0.21 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3kko h THR 167 CO -0.20 0.01 0.14 -0.26 0.37 0.00 0.00 175.52 175.58 3kko h PHE 168 N 0.06 0.98 -0.39 3.16 -1.00 -1.42 -1.88 116.94 116.45 3kko h PHE 168 Ca 0.07 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 3kko h PHE 168 Cb 0.08 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.35 3kko h PHE 168 CO -0.15 0.83 0.20 0.45 -1.61 0.00 0.00 178.31 178.04 3kko h HIS 169 N 0.84 0.54 -0.68 -0.55 3.86 -0.80 -2.71 115.15 115.65 3kko h HIS 169 Ca 0.18 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3kko h HIS 169 Cb 0.35 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 3kko h HIS 169 CO 0.02 0.44 0.44 -0.44 0.86 0.00 0.00 177.93 179.25 3kko h ASP 170 N 0.49 0.78 -0.91 2.45 3.45 -0.41 -0.60 116.42 121.68 3kko h ASP 170 Ca 0.14 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 3kko h ASP 170 Cb 0.08 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 38.61 3kko h ASP 170 CO -0.02 0.58 0.52 0.25 -1.57 0.00 0.00 179.24 179.00 3kko h LEU 171 N 0.92 1.12 -0.48 1.55 5.85 -1.09 0.37 115.31 123.55 3kko h LEU 171 Ca 0.25 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3kko h LEU 171 Cb -0.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 3kko h LEU 171 CO -0.05 0.88 0.25 0.58 -0.34 0.00 0.00 178.44 179.76 3kko h VAL 172 N 1.27 1.18 -0.56 1.05 2.07 -1.00 -0.91 116.25 119.35 3kko h VAL 172 Ca 0.32 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3kko h VAL 172 Cb -0.01 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 3kko h VAL 172 CO -0.06 0.20 0.27 0.03 0.02 0.00 0.00 177.57 178.04 3kko h ARG 173 N 0.64 0.51 -0.59 1.57 3.08 -0.66 0.84 114.38 119.76 3kko h ARG 173 Ca 0.17 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3kko h ARG 173 Cb 0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3kko h ARG 173 CO -0.02 0.34 0.36 0.28 -1.07 0.00 0.00 179.97 179.85 3kko h VAL 174 N 0.52 1.17 -0.50 2.04 2.07 -0.63 -0.09 116.25 120.83 3kko h VAL 174 Ca 0.25 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3kko h VAL 174 Cb 0.18 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3kko h VAL 174 CO -0.19 0.18 0.23 0.40 0.02 0.00 0.00 177.57 178.21 3kko h ILE 175 N 0.80 1.20 0.00 4.57 2.04 -0.75 -2.74 117.51 122.63 3kko h ILE 175 Ca 0.21 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 3kko h ILE 175 Cb -0.02 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3kko h ILE 175 CO -0.04 0.22 -0.22 0.03 0.00 0.00 0.00 178.15 178.14 3kko h ARG 176 N 0.66 0.00 0.00 2.37 3.08 -0.50 -2.89 114.38 117.10 3kko h ARG 176 Ca 0.17 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3kko h ARG 176 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3kko h ARG 176 CO -0.02 0.22 -0.29 1.96 -1.07 0.00 0.00 179.97 180.77 3kko h GLN 177 N 0.00 0.00 -0.03 0.04 1.08 -0.70 -3.51 115.11 111.99 3kko h GLN 177 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kko h GLN 177 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3kko h GLN 177 CO 0.03 0.29 0.00 0.00 -0.95 0.00 0.00 178.83 178.20