#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kko s LEU 11 N 0.00 2.20 0.60 1.20 2.96 -1.26 -4.94 118.68 119.44 3kko s LEU 11 Ca 0.00 -2.67 -0.17 0.00 -0.22 0.00 0.00 54.13 51.07 3kko s LEU 11 Cb 0.00 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 3kko s LEU 11 CO 0.00 -0.25 1.09 -2.16 -1.32 0.00 0.00 176.35 173.71 3kko s PRO 12 N 0.36 3.16 -0.13 0.98 0.04 -1.26 -4.76 135.00 133.39 3kko s PRO 12 Ca 0.21 1.39 -0.03 0.00 0.04 0.00 0.00 61.00 62.60 3kko s PRO 12 Cb -0.18 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3kko s PRO 12 CO -0.04 -0.96 -0.01 0.99 0.04 0.00 0.00 177.00 177.02 3kko s THR 13 N -2.21 4.17 -0.18 1.26 2.01 -1.26 -1.41 115.64 118.02 3kko s THR 13 Ca 0.67 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.38 3kko s THR 13 Cb -0.20 -2.80 -0.00 0.00 0.01 0.00 0.00 72.50 69.51 3kko s THR 13 CO 0.35 0.53 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.40 3kko s TYR 14 N -0.15 2.87 -0.50 4.92 2.02 -0.07 -4.98 117.35 121.46 3kko s TYR 14 Ca 0.04 -1.01 -0.19 0.00 -0.37 0.00 0.00 57.07 55.53 3kko s TYR 14 Cb -0.13 -1.98 0.05 0.00 -0.40 0.00 0.00 41.96 39.51 3kko s TYR 14 CO 0.02 -0.51 0.63 0.15 -1.57 0.00 0.00 175.55 174.28 3kko s LYS 15 N 1.09 3.15 -0.25 -0.62 1.02 -1.26 -1.00 119.74 121.86 3kko s LYS 15 Ca 0.00 -0.80 -0.10 0.00 0.02 0.00 0.00 55.97 55.10 3kko s LYS 15 Cb -0.15 -4.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 3kko s LYS 15 CO -0.03 -1.19 0.14 -0.51 -0.92 0.00 0.00 175.35 172.84 3kko s LEU 16 N 2.69 3.87 -0.20 3.17 1.43 0.15 -0.14 118.68 129.65 3kko s LEU 16 Ca 0.16 -0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3kko s LEU 16 Cb -0.18 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3kko s LEU 16 CO 0.13 0.01 -0.02 -0.69 0.23 0.00 0.00 176.35 176.01 3kko s VAL 17 N 1.38 3.81 -0.34 -1.59 1.01 -0.14 -0.36 120.40 124.18 3kko s VAL 17 Ca 0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 3kko s VAL 17 Cb -0.15 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 3kko s VAL 17 CO 0.06 0.44 0.27 -0.69 0.00 0.00 0.00 175.10 175.18 3kko s VAL 18 N 0.98 5.25 0.30 2.92 1.01 -0.07 -1.28 120.40 129.52 3kko s VAL 18 Ca 0.01 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.92 3kko s VAL 18 Cb -0.14 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 3kko s VAL 18 CO 0.01 -0.03 -0.05 0.68 0.00 0.00 0.00 175.10 175.72 3kko s VAL 19 N 1.80 1.72 0.00 2.92 -7.23 -0.10 -2.91 120.40 116.60 3kko s VAL 19 Ca 0.08 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 3kko s VAL 19 Cb -0.17 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.21 3kko s VAL 19 CO 0.11 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 3kko n GLY 20 N -0.65 4.05 3.65 2.32 0.00 -1.26 -0.90 105.19 112.39 3kko n GLY 20 Ca -0.05 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 3kko n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kko s ASP 21 N 0.00 2.73 0.34 1.61 -0.00 -1.26 -4.10 116.67 116.00 3kko s ASP 21 Ca 0.00 2.03 -0.28 0.00 -0.00 0.00 0.00 52.55 54.30 3kko s ASP 21 Cb 0.00 -2.51 -0.12 0.00 -0.00 0.00 0.00 42.92 40.29 3kko s ASP 21 CO 0.00 -3.19 1.34 0.61 -0.00 0.00 0.00 175.17 173.93 3kko n GLY 22 N 0.15 0.74 2.67 0.21 0.00 -1.19 -3.15 105.19 104.62 3kko n GLY 22 Ca 0.10 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.88 0.70 0.07 -0.02 0.00 -1.26 -4.90 105.19 100.65 3kko n GLY 23 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.39 0.56 0.00 1.61 0.24 -1.19 -4.89 118.33 112.27 3kko n VAL 24 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3kko n VAL 24 Cb 0.02 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 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 0.84 1.40 0.18 7.63 0.00 -1.26 -4.45 105.19 109.53 3kko n GLY 25 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.13 -0.29 1.61 1.57 -1.91 -0.85 116.57 116.57 3kko h LYS 26 Ca 0.00 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3kko h LYS 26 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3kko h LYS 26 CO 0.00 -0.08 -0.07 0.77 -0.57 0.00 0.00 179.45 179.49 3kko h SER 27 N -0.13 0.57 -0.83 0.86 0.02 -1.96 -1.70 113.55 110.38 3kko h SER 27 Ca 0.11 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 60.75 3kko h SER 27 Cb 0.29 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 3kko h SER 27 CO -0.27 0.80 0.51 0.00 -1.14 0.00 0.00 176.83 176.74 3kko h ALA 28 N 0.79 1.12 -0.31 3.77 0.00 -1.86 0.21 119.26 122.97 3kko h ALA 28 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kko h ALA 28 Cb 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kko h ALA 28 CO 0.03 0.27 0.06 -0.07 0.00 0.00 0.00 179.25 179.53 3kko h LEU 29 N 0.95 0.49 -0.30 0.00 3.38 -1.11 -1.10 115.31 117.63 3kko h LEU 29 Ca 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3kko h LEU 29 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kko h LEU 29 CO -0.16 0.62 0.12 0.74 0.09 0.00 0.00 178.44 179.85 3kko h THR 30 N 0.34 1.18 -0.48 0.22 2.02 -0.90 -0.97 112.91 114.32 3kko h THR 30 Ca 0.10 -0.55 -0.11 0.00 0.77 0.00 0.00 66.41 66.62 3kko h THR 30 Cb 0.34 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3kko h THR 30 CO 0.01 0.19 -0.14 0.40 0.37 0.00 0.00 175.52 176.34 3kko h ILE 31 N 0.33 1.27 -0.68 3.11 2.04 -0.59 -1.20 117.51 121.77 3kko h ILE 31 Ca 0.10 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.72 3kko h ILE 31 Cb 0.18 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3kko h ILE 31 CO -0.01 0.44 0.43 -0.61 0.00 0.00 0.00 178.15 178.40 3kko h GLN 32 N 0.82 0.81 -0.35 2.37 5.75 -1.09 0.61 115.11 124.02 3kko h GLN 32 Ca 0.12 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 3kko h GLN 32 Cb 0.68 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 3kko h GLN 32 CO 0.05 0.54 0.17 0.35 -2.65 0.00 0.00 178.83 177.29 3kko h PHE 33 N 0.84 0.51 0.08 3.99 -0.00 -0.66 -1.42 116.94 120.27 3kko h PHE 33 Ca 0.27 -0.02 -0.29 0.00 -0.00 0.00 0.00 57.97 57.93 3kko h PHE 33 Cb 0.02 -0.16 -0.02 0.00 -0.00 0.00 0.00 35.95 35.79 3kko h PHE 33 CO -0.04 0.44 -1.49 0.74 -0.00 0.00 0.00 178.31 177.95 3kko h PHE 34 N 0.43 0.29 0.00 0.41 0.04 -1.06 -3.41 116.94 113.65 3kko h PHE 34 Ca 0.12 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3kko h PHE 34 Cb 0.12 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.26 3kko h PHE 34 CO -0.02 1.26 0.00 1.04 -0.60 0.00 0.00 178.31 180.00 3kko n GLN 35 N -3.36 4.06 -3.54 1.51 6.02 0.21 -5.02 117.38 117.26 3kko n GLN 35 Ca -0.14 -0.15 -0.26 0.00 -0.01 0.00 0.00 57.00 56.43 3kko n GLN 35 Cb 1.03 -0.63 0.03 0.00 1.02 0.00 0.00 30.24 31.68 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 -0.62 -5.19 -4.18 -1.09 5.02 -0.53 -4.97 118.16 106.60 3kko n LYS 36 Ca 0.00 0.67 -0.17 0.00 -2.02 0.00 0.00 58.31 56.79 3kko n LYS 36 Cb 0.01 -5.54 -0.11 0.00 -0.02 0.00 0.00 35.03 29.37 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 -3.19 1.08 -0.22 -0.18 -4.36 -1.26 -5.01 121.20 108.06 3kko s ILE 37 Ca 0.51 -1.45 -0.15 0.00 -0.26 0.00 0.00 60.65 59.31 3kko s ILE 37 Cb -0.25 -1.19 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 3kko s ILE 37 CO 0.63 -0.35 0.35 0.12 0.24 0.00 0.00 174.94 175.93 3kko s PHE 38 N -1.71 3.33 -0.40 1.37 5.36 -1.26 -3.43 117.98 121.23 3kko s PHE 38 Ca 0.01 0.50 -0.21 0.00 -0.96 0.00 0.00 56.93 56.27 3kko s PHE 38 Cb -0.07 -2.49 0.01 0.00 -0.34 0.00 0.00 43.02 40.13 3kko s PHE 38 CO 0.02 -0.05 0.67 0.08 -1.46 0.00 0.00 175.22 174.48 3kko s VAL 39 N 1.44 4.82 -0.97 3.12 1.01 -1.26 -4.92 120.40 123.64 3kko s VAL 39 Ca 0.16 0.42 0.26 0.00 0.00 0.00 0.00 61.98 62.82 3kko s VAL 39 Cb -0.15 -4.17 0.07 0.00 0.00 0.00 0.00 36.38 32.13 3kko s VAL 39 CO 0.08 -0.49 1.53 -0.90 0.00 0.00 0.00 175.10 175.32 3kko n ASP 40 N 6.26 0.40 -4.82 3.32 5.68 -1.26 -4.87 116.55 121.26 3kko n ASP 40 Ca -0.00 -0.04 -0.33 0.00 -0.50 0.00 0.00 54.79 53.92 3kko n ASP 40 Cb 0.48 0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 40.48 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 -3.01 3.89 -0.62 0.11 8.01 -1.26 -5.03 118.70 120.79 3kko s GLU 41 Ca 0.11 1.13 -0.05 0.00 0.01 0.00 0.00 54.97 56.17 3kko s GLU 41 Cb 0.17 -2.12 0.16 0.00 -4.31 0.00 0.00 34.13 28.03 3kko s GLU 41 CO 0.66 -0.33 0.45 -0.47 0.01 0.00 0.00 175.26 175.58 3kko s TYR 42 N -2.34 3.47 -0.52 1.61 6.04 -1.26 -5.02 117.35 119.33 3kko s TYR 42 Ca 0.62 -2.53 -0.03 0.00 0.04 0.00 0.00 57.07 55.17 3kko s TYR 42 Cb -0.12 -3.30 0.14 0.00 -1.04 0.00 0.00 41.96 37.64 3kko s TYR 42 CO 0.25 -0.89 0.33 -0.51 -1.54 0.00 0.00 175.55 173.20 3kko s ASP 43 N 1.14 5.29 0.27 4.32 1.01 -1.26 -5.08 116.67 122.36 3kko s ASP 43 Ca 0.15 -2.43 -0.29 0.00 0.71 0.00 0.00 52.55 50.69 3kko s ASP 43 Cb -0.20 -1.86 -0.14 0.00 1.01 0.00 0.00 42.92 41.74 3kko s ASP 43 CO -0.04 -0.47 1.10 -2.65 0.21 0.00 0.00 175.17 173.32 3kko n PRO 44 N 4.07 1.47 -3.58 8.23 -0.02 -1.26 -4.96 135.00 138.95 3kko n PRO 44 Ca 0.02 0.52 -0.34 0.00 -2.02 0.00 0.00 63.50 61.68 3kko n PRO 44 Cb 0.40 -1.95 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 3kko n PRO 44 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kko s THR 45 N -0.84 5.09 -0.14 3.45 2.01 -1.26 -5.01 115.64 118.93 3kko s THR 45 Ca 0.61 0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.86 3kko s THR 45 Cb -0.70 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 3kko s THR 45 CO 0.58 0.20 -0.24 -0.38 -0.69 0.00 0.00 174.62 174.10 3kko n ILE 46 N 0.64 1.30 -3.57 1.82 5.41 -1.26 -4.19 119.36 119.51 3kko n ILE 46 Ca -0.06 0.21 -0.01 0.00 1.00 0.00 0.00 62.75 63.89 3kko n ILE 46 Cb 0.52 -2.28 -0.06 0.00 -0.71 0.00 0.00 39.64 37.12 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 -2.41 0.40 0.03 0.38 2.56 -1.26 -3.04 118.70 115.37 3kko s GLU 47 Ca -0.20 0.82 0.04 0.00 0.00 0.00 0.00 54.97 55.63 3kko s GLU 47 Cb 0.03 0.28 -0.02 0.00 2.00 0.00 0.00 34.13 36.41 3kko s GLU 47 CO 0.29 -0.11 -0.11 -0.51 -0.56 0.00 0.00 175.26 174.27 3kko s ASP 48 N 1.88 1.27 -0.02 -1.70 -0.00 -0.47 -5.01 116.67 112.63 3kko s ASP 48 Ca -0.07 -0.41 0.07 0.00 -0.00 0.00 0.00 52.55 52.14 3kko s ASP 48 Cb -0.05 -0.06 -0.02 0.00 -0.00 0.00 0.00 42.92 42.78 3kko s ASP 48 CO -0.17 -0.02 -0.23 -0.44 -0.00 0.00 0.00 175.17 174.31 3kko s SER 49 N -1.05 2.74 0.03 0.27 0.01 -1.26 -0.07 113.70 114.37 3kko s SER 49 Ca -0.01 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.85 3kko s SER 49 Cb -0.07 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 3kko s SER 49 CO 0.01 0.28 -0.09 -0.31 0.41 0.00 0.00 173.24 173.55 3kko s TYR 50 N -0.56 0.75 -0.02 2.43 1.51 -0.31 -4.99 117.35 116.16 3kko s TYR 50 Ca 0.09 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 3kko s TYR 50 Cb -0.09 -0.45 0.00 0.00 -0.11 0.00 0.00 41.96 41.31 3kko s TYR 50 CO -0.01 -0.04 -0.07 0.50 -1.11 0.00 0.00 175.55 174.82 3kko s ARG 51 N -1.14 0.78 0.05 -0.62 3.52 -1.26 -0.42 118.95 119.86 3kko s ARG 51 Ca -0.04 -0.25 -0.08 0.00 -0.13 0.00 0.00 55.73 55.23 3kko s ARG 51 Cb -0.08 -0.75 -0.00 0.00 -1.56 0.00 0.00 34.95 32.56 3kko s ARG 51 CO 0.00 0.09 0.17 -1.59 -0.81 0.00 0.00 175.30 173.17 3kko s LYS 52 N 0.19 0.69 -0.14 5.12 -2.85 -0.62 -5.01 119.74 117.12 3kko s LYS 52 Ca -0.02 -0.72 -0.12 0.00 -1.00 0.00 0.00 55.97 54.11 3kko s LYS 52 Cb -0.07 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 35.93 3kko s LYS 52 CO 0.00 -0.20 0.24 -1.01 0.10 0.00 0.00 175.35 174.48 3kko s HIS 53 N -2.80 3.51 -0.05 1.78 3.76 -1.26 -0.68 115.29 119.55 3kko s HIS 53 Ca -0.03 0.57 -0.22 0.00 -0.15 0.00 0.00 55.06 55.23 3kko s HIS 53 Cb 0.00 -2.21 0.05 0.00 1.11 0.00 0.00 32.58 31.53 3kko s HIS 53 CO -0.05 0.41 0.49 -0.08 -0.85 0.00 0.00 174.74 174.65 3kko s THR 54 N -0.06 0.03 -0.30 1.30 -1.32 -0.43 -5.00 115.64 109.85 3kko s THR 54 Ca 0.15 -0.23 -0.10 0.00 -1.21 0.00 0.00 61.69 60.30 3kko s THR 54 Cb -0.13 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 70.05 3kko s THR 54 CO 0.04 -0.12 0.17 -0.70 -2.21 0.00 0.00 174.62 171.79 3kko s GLU 55 N -1.09 3.62 -0.20 7.08 2.12 -1.26 -1.12 118.70 127.85 3kko s GLU 55 Ca -0.11 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.70 3kko s GLU 55 Cb -0.03 -3.60 0.03 0.00 0.26 0.00 0.00 34.13 30.79 3kko s GLU 55 CO 0.06 -0.31 -0.16 0.42 -0.54 0.00 0.00 175.26 174.73 3kko s ILE 56 N 1.68 2.00 -1.28 -3.70 1.01 -0.77 -4.74 121.20 115.40 3kko s ILE 56 Ca 0.06 -1.07 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 3kko s ILE 56 Cb -0.16 -1.90 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 3kko s ILE 56 CO 0.08 0.37 0.74 0.47 0.00 0.00 0.00 174.94 176.60 3kko n ASP 57 N 4.60 -1.60 -0.04 3.58 8.00 -1.26 -2.10 116.55 127.72 3kko n ASP 57 Ca -0.18 -0.80 -0.01 0.00 0.71 0.00 0.00 54.79 54.51 3kko n ASP 57 Cb 0.48 -4.18 -0.00 0.00 -0.02 0.00 0.00 41.12 37.40 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 -3.05 -5.30 -4.01 -2.24 4.13 -1.26 -4.96 115.26 98.57 3kko n ASN 58 Ca -0.28 0.01 -0.31 0.00 1.68 0.00 0.00 54.58 55.68 3kko n ASN 58 Cb 0.67 -2.84 -0.16 0.00 -1.54 0.00 0.00 39.78 35.91 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 -1.60 2.11 0.40 3.52 -0.21 -0.89 -5.12 119.66 117.87 3kko s GLN 59 Ca 0.00 -0.83 -0.25 0.00 0.02 0.00 0.00 55.36 54.30 3kko s GLN 59 Cb 0.00 -2.40 -0.08 0.00 1.00 0.00 0.00 33.01 31.52 3kko s GLN 59 CO 0.00 -0.40 1.17 -1.58 -2.12 0.00 0.00 175.29 172.36 3kko s TRP 60 N 1.39 3.08 0.06 0.91 0.52 -1.26 -1.85 118.94 121.79 3kko s TRP 60 Ca -0.01 1.56 -0.16 0.00 0.02 0.00 0.00 56.10 57.51 3kko s TRP 60 Cb -0.16 -3.39 0.03 0.00 -1.15 0.00 0.00 33.47 28.80 3kko s TRP 60 CO -0.09 -1.29 0.37 0.00 0.02 0.00 0.00 176.95 175.96 3kko s ALA 61 N -1.42 -0.86 -0.22 0.98 0.00 -0.27 -4.40 121.76 115.57 3kko s ALA 61 Ca 0.57 0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 3kko s ALA 61 Cb -0.30 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 3kko s ALA 61 CO 0.38 -0.48 0.15 0.42 0.00 0.00 0.00 175.76 176.23 3kko s ILE 62 N -2.82 5.35 -0.23 0.00 1.01 -0.50 -1.32 121.20 122.71 3kko s ILE 62 Ca -0.03 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.72 3kko s ILE 62 Cb -0.00 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 3kko s ILE 62 CO -0.05 0.38 0.07 -0.76 0.00 0.00 0.00 174.94 174.58 3kko s LEU 63 N 0.80 3.55 -0.39 2.97 1.43 0.15 -0.89 118.68 126.29 3kko s LEU 63 Ca 0.08 -0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3kko s LEU 63 Cb -0.13 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.22 3kko s LEU 63 CO 0.02 0.03 0.21 -1.81 0.23 0.00 0.00 176.35 175.03 3kko s ASP 64 N 1.23 5.53 -0.24 2.29 1.01 -0.17 -1.59 116.67 124.73 3kko s ASP 64 Ca 0.05 -1.39 -0.10 0.00 0.71 0.00 0.00 52.55 51.81 3kko s ASP 64 Cb -0.14 -1.95 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 3kko s ASP 64 CO 0.03 -0.47 0.15 -0.69 0.21 0.00 0.00 175.17 174.41 3kko s VAL 65 N 1.41 5.22 -0.35 -1.27 1.01 0.45 -0.68 120.40 126.19 3kko s VAL 65 Ca 0.02 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 3kko s VAL 65 Cb -0.22 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.74 3kko s VAL 65 CO 0.02 0.34 0.18 -0.76 0.00 0.00 0.00 175.10 174.89 3kko s LEU 66 N 1.13 4.46 -0.40 3.92 1.02 0.51 -1.16 118.68 128.16 3kko s LEU 66 Ca 0.07 -0.79 -0.16 0.00 0.02 0.00 0.00 54.13 53.27 3kko s LEU 66 Cb -0.14 -2.02 0.01 0.00 0.02 0.00 0.00 46.19 44.07 3kko s LEU 66 CO 0.05 -0.30 0.39 -0.62 0.02 0.00 0.00 176.35 175.89 3kko s ASP 67 N 1.58 6.17 0.43 2.29 2.15 0.90 -0.89 116.67 129.31 3kko s ASP 67 Ca 0.03 -0.63 0.06 0.00 0.43 0.00 0.00 52.55 52.44 3kko s ASP 67 Cb -0.18 -2.21 0.01 0.00 -0.30 0.00 0.00 42.92 40.24 3kko s ASP 67 CO 0.06 -0.51 0.60 0.42 -0.17 0.00 0.00 175.17 175.58 3kko s THR 68 N 2.02 3.12 0.07 1.71 -4.23 -1.15 -1.37 115.64 115.82 3kko s THR 68 Ca 0.11 -0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 3kko s THR 68 Cb -0.17 -3.08 -0.05 0.00 1.34 0.00 0.00 72.50 70.54 3kko s THR 68 CO 0.13 -0.03 0.99 0.00 -0.54 0.00 0.00 174.62 175.16 3kko s ALA 69 N -2.41 3.23 -0.22 3.99 0.00 -1.17 -4.82 121.76 120.36 3kko s ALA 69 Ca 0.54 0.59 0.17 0.00 0.00 0.00 0.00 51.96 53.26 3kko s ALA 69 Cb -0.10 -3.32 0.12 0.00 0.00 0.00 0.00 23.12 19.82 3kko s ALA 69 CO 0.34 -0.14 1.46 0.78 0.00 0.00 0.00 175.76 178.19 3kko h GLY 70 N 6.10 0.00 -4.89 0.00 0.00 -1.80 -3.46 103.07 99.03 3kko h GLY 70 Ca -0.42 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.36 3kko h GLY 70 CO 0.74 0.00 0.82 1.20 0.00 0.00 0.00 176.54 179.30 3kko s GLN 71 N -3.02 4.29 0.62 4.80 -0.21 -1.26 -3.14 119.66 121.73 3kko s GLN 71 Ca 0.04 1.89 0.33 0.00 0.02 0.00 0.00 55.36 57.64 3kko s GLN 71 Cb 0.07 -3.61 1.86 0.00 1.00 0.00 0.00 33.01 32.34 3kko s GLN 71 CO 0.73 -0.57 2.16 0.93 -2.12 0.00 0.00 175.29 176.42 3kko h GLU 72 N 7.88 0.00 -1.05 2.91 4.39 -2.00 -1.56 114.58 125.15 3kko h GLU 72 Ca -0.36 0.00 0.33 0.00 0.34 0.00 0.00 59.36 59.67 3kko h GLU 72 Cb 1.17 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.68 3kko h GLU 72 CO 0.91 0.00 0.62 1.49 -1.16 0.00 0.00 179.01 180.86 3kko h GLU 73 N 0.00 0.29 -0.45 2.33 4.81 -1.98 -1.50 114.58 118.08 3kko h GLU 73 Ca 0.04 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.06 3kko h GLU 73 Cb 0.32 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 29.52 3kko h GLU 73 CO -0.00 0.19 0.07 1.19 -0.73 0.00 0.00 179.01 179.73 3kko n PHE 74 N -4.97 1.44 0.05 0.92 3.01 -0.59 -4.71 117.46 112.62 3kko n PHE 74 Ca 0.32 -1.47 -0.05 0.00 1.01 0.00 0.00 57.45 57.26 3kko n PHE 74 Cb 1.04 -0.54 0.15 0.00 -0.01 0.00 0.00 39.48 40.12 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 1.27 0.39 -0.10 4.37 4.64 -1.39 -0.95 113.55 121.79 3kko h SER 75 Ca 0.24 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3kko h SER 75 Cb 1.84 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.81 3kko h SER 75 CO 0.48 0.81 0.04 0.00 -0.87 0.00 0.00 176.83 177.29 3kko h ALA 76 N 1.21 0.11 -0.39 5.18 0.00 -1.84 -1.17 119.26 122.36 3kko h ALA 76 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kko h ALA 76 Cb 0.94 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3kko h ALA 76 CO 0.08 -0.42 0.20 1.98 0.00 0.00 0.00 179.25 181.09 3kko h MET 77 N 0.09 0.55 -0.44 0.00 -1.53 -1.88 -2.84 114.93 108.88 3kko h MET 77 Ca 0.04 -0.07 0.09 0.00 -3.44 0.00 0.00 59.70 56.32 3kko h MET 77 Cb 0.02 -0.10 -0.08 0.00 -0.55 0.00 0.00 31.60 30.88 3kko h MET 77 CO -0.04 0.47 -0.09 -0.09 0.14 0.00 0.00 176.91 177.30 3kko h ARG 78 N 0.49 0.02 -0.93 0.39 2.43 -0.87 -2.07 114.38 113.84 3kko h ARG 78 Ca 0.13 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 3kko h ARG 78 Cb 0.09 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 3kko h ARG 78 CO -0.02 0.01 0.61 1.49 -1.51 0.00 0.00 179.97 180.55 3kko h GLU 79 N 0.02 1.10 -0.58 0.20 4.81 -1.09 -0.33 114.58 118.71 3kko h GLU 79 Ca 0.21 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3kko h GLU 79 Cb 0.33 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 3kko h GLU 79 CO -0.44 0.73 0.33 1.96 -0.73 0.00 0.00 179.01 180.86 3kko h GLN 80 N 1.13 0.61 -0.11 1.92 7.50 -1.15 -2.16 115.11 122.86 3kko h GLN 80 Ca 0.38 -0.04 -0.14 0.00 0.50 0.00 0.00 58.65 59.35 3kko h GLN 80 Cb 0.07 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 3kko h GLN 80 CO -0.13 0.40 -0.55 1.88 -1.50 0.00 0.00 178.83 178.94 3kko h TYR 81 N 0.63 0.42 -0.23 2.96 -1.99 -0.91 -3.16 116.97 114.68 3kko h TYR 81 Ca 0.25 -0.15 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 3kko h TYR 81 Cb 0.11 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 3kko h TYR 81 CO -0.08 0.81 -0.10 0.52 -0.00 0.00 0.00 178.16 179.31 3kko h MET 82 N 0.26 0.37 -0.08 4.88 2.86 -0.69 -2.42 114.93 120.10 3kko h MET 82 Ca 0.00 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3kko h MET 82 Cb 1.05 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 3kko h MET 82 CO 0.09 0.48 0.07 0.00 1.06 0.00 0.00 176.91 178.61 3kko h ARG 83 N 0.35 0.00 -0.01 1.72 3.08 -1.36 -1.83 114.38 116.32 3kko h ARG 83 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3kko h ARG 83 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3kko h ARG 83 CO 0.02 0.00 -0.09 0.25 -1.07 0.00 0.00 179.97 179.08 3kko n THR 84 N -4.09 0.00 -2.61 2.04 -2.24 -0.91 -4.96 114.28 101.51 3kko n THR 84 Ca -0.01 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 3kko n THR 84 Cb 0.18 0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.22 2.79 0.08 3.38 0.00 -0.69 -4.82 107.32 105.84 3kko s GLY 85 Ca 0.33 0.67 0.23 0.00 0.00 0.00 0.00 44.72 45.95 3kko s GLY 85 CO 0.41 1.12 0.95 1.22 0.00 0.00 0.00 173.10 176.81 3kko n ASP 86 N 0.26 0.58 -3.56 1.64 8.00 0.80 -4.99 116.55 119.28 3kko n ASP 86 Ca 0.03 -0.02 -0.06 0.00 0.71 0.00 0.00 54.79 55.45 3kko n ASP 86 Cb 0.49 0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 42.45 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 -3.99 -0.37 -0.01 0.44 0.00 -1.12 -4.59 107.32 97.69 3kko s GLY 87 Ca 0.01 1.22 0.04 0.00 0.00 0.00 0.00 44.72 45.99 3kko s GLY 87 CO 0.81 0.40 -0.12 -1.36 0.00 0.00 0.00 173.10 172.83 3kko s PHE 88 N -2.78 1.09 -0.23 1.90 0.40 -0.50 -0.96 117.98 116.90 3kko s PHE 88 Ca 0.08 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.11 3kko s PHE 88 Cb -0.01 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 3kko s PHE 88 CO -0.06 -0.02 0.11 -0.51 0.70 0.00 0.00 175.22 175.44 3kko s LEU 89 N -0.33 3.81 -0.44 -0.37 1.43 -0.40 -1.38 118.68 120.99 3kko s LEU 89 Ca 0.04 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 3kko s LEU 89 Cb -0.05 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.22 3kko s LEU 89 CO -0.00 0.05 0.33 -0.63 0.23 0.00 0.00 176.35 176.32 3kko s ILE 90 N 1.15 4.98 -0.16 -0.59 1.01 -0.23 -0.93 121.20 126.44 3kko s ILE 90 Ca 0.06 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 3kko s ILE 90 Cb -0.14 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3kko s ILE 90 CO 0.04 -0.47 0.08 -0.69 0.00 0.00 0.00 174.94 173.90 3kko s VAL 91 N 1.60 4.95 0.26 2.92 1.01 -0.08 -0.84 120.40 130.22 3kko s VAL 91 Ca 0.04 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.08 3kko s VAL 91 Cb -0.22 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 3kko s VAL 91 CO 0.07 0.51 -0.01 -0.72 0.00 0.00 0.00 175.10 174.94 3kko s TYR 92 N -0.09 1.75 -0.17 5.22 1.13 -0.53 -4.11 117.35 120.55 3kko s TYR 92 Ca 0.08 -0.85 -0.07 0.00 -1.41 0.00 0.00 57.07 54.82 3kko s TYR 92 Cb -0.12 -1.03 -0.04 0.00 -1.10 0.00 0.00 41.96 39.67 3kko s TYR 92 CO 0.01 0.08 0.07 0.45 -2.51 0.00 0.00 175.55 173.65 3kko s SER 93 N -3.38 5.72 0.00 -0.18 0.15 -1.26 -0.94 113.70 113.81 3kko s SER 93 Ca 0.30 0.14 0.09 0.00 0.70 0.00 0.00 55.95 57.17 3kko s SER 93 Cb 0.05 -1.95 0.38 0.00 -1.71 0.00 0.00 66.02 62.80 3kko s SER 93 CO 0.11 0.21 1.25 1.33 1.20 0.00 0.00 173.24 177.34 3kko n VAL 94 N 3.28 1.28 1.10 4.45 0.24 -0.55 -1.15 118.33 126.98 3kko n VAL 94 Ca -0.17 0.32 0.12 0.00 -2.04 0.00 0.00 64.34 62.57 3kko n VAL 94 Cb 0.53 -1.17 0.20 0.00 -1.47 0.00 0.00 33.84 31.92 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 -1.45 0.00 -3.88 3.34 -2.24 -1.26 0.35 114.28 109.13 3kko n THR 95 Ca 0.03 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 3kko n THR 95 Cb 0.09 0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.70 4.27 0.26 3.42 -1.08 -0.30 -4.69 116.67 115.85 3kko s ASP 96 Ca 0.17 -2.37 -0.04 0.00 -0.52 0.00 0.00 52.55 49.79 3kko s ASP 96 Cb 0.18 -1.35 0.35 0.00 -1.46 0.00 0.00 42.92 40.64 3kko s ASP 96 CO 0.63 -0.33 1.90 0.11 0.52 0.00 0.00 175.17 178.00 3kko h LYS 97 N 7.24 1.22 -0.86 4.34 1.57 -1.86 -2.15 116.57 126.07 3kko h LYS 97 Ca -0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3kko h LYS 97 Cb 0.97 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 3kko h LYS 97 CO 0.55 0.81 0.50 0.00 -0.57 0.00 0.00 179.45 180.74 3kko h ALA 98 N 1.42 1.27 -0.29 3.86 0.00 -1.94 -1.68 119.26 121.91 3kko h ALA 98 Ca 0.41 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3kko h ALA 98 Cb 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3kko h ALA 98 CO -0.14 0.61 0.01 0.66 0.00 0.00 0.00 179.25 180.39 3kko h SER 99 N 1.19 0.40 -0.20 0.00 4.64 -1.72 -1.87 113.55 115.99 3kko h SER 99 Ca 0.31 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.43 3kko h SER 99 Cb -0.03 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3kko h SER 99 CO -0.06 0.46 -0.39 0.15 -0.87 0.00 0.00 176.83 176.13 3kko h PHE 100 N 0.42 0.78 0.00 4.77 3.57 -1.29 -3.09 116.94 122.10 3kko h PHE 100 Ca 0.09 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 3kko h PHE 100 Cb 0.27 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3kko h PHE 100 CO 0.01 1.03 -0.03 0.93 -2.23 0.00 0.00 178.31 178.02 3kko h GLU 101 N 0.30 0.00 -0.01 1.11 5.08 -1.02 -1.91 114.58 118.13 3kko h GLU 101 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kko h GLU 101 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3kko h GLU 101 CO 0.09 0.03 -0.16 0.72 -1.00 0.00 0.00 179.01 178.69 3kko n HIS 102 N -3.26 0.00 -0.27 4.33 8.25 -0.73 -4.02 115.22 119.52 3kko n HIS 102 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.48 3kko n HIS 102 Cb 0.19 -0.10 0.17 0.00 1.12 0.00 0.00 29.99 31.36 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 1.28 0.84 -0.58 1.59 2.07 -1.34 -1.56 116.25 118.55 3kko h VAL 103 Ca 0.00 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.39 3kko h VAL 103 Cb 0.45 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 3kko h VAL 103 CO 0.00 0.12 0.17 0.44 0.02 0.00 0.00 177.57 178.32 3kko h ASP 104 N 0.67 0.11 -0.64 0.57 3.32 -1.78 0.95 116.42 119.62 3kko h ASP 104 Ca 0.39 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.53 3kko h ASP 104 Cb 0.43 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 3kko h ASP 104 CO -0.28 0.07 0.40 -0.09 -1.72 0.00 0.00 179.24 177.62 3kko h ARG 105 N 0.33 0.86 -0.39 3.56 2.43 -1.56 -1.24 114.38 118.37 3kko h ARG 105 Ca 0.30 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3kko h ARG 105 Cb 0.39 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3kko h ARG 105 CO -0.34 0.60 -0.17 0.74 -1.51 0.00 0.00 179.97 179.30 3kko h PHE 106 N 0.87 0.92 -0.27 2.20 -1.00 -0.73 -1.46 116.94 117.47 3kko h PHE 106 Ca 0.23 -0.22 0.06 0.00 2.81 0.00 0.00 57.97 60.85 3kko h PHE 106 Cb -0.05 -0.21 -0.06 0.00 3.61 0.00 0.00 35.95 39.24 3kko h PHE 106 CO -0.02 0.97 -0.10 1.25 -1.61 0.00 0.00 178.31 178.79 3kko h HIS 107 N 0.60 -0.23 0.00 -0.55 2.76 -0.63 -1.15 115.15 115.95 3kko h HIS 107 Ca 0.09 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 3kko h HIS 107 Cb 0.71 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 3kko h HIS 107 CO 0.06 -0.16 -0.30 1.96 -1.30 0.00 0.00 177.93 178.19 3kko h GLN 108 N -0.05 0.00 -0.16 5.26 7.50 -1.19 -2.55 115.11 123.93 3kko h GLN 108 Ca 0.14 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.18 3kko h GLN 108 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.79 3kko h GLN 108 CO -0.31 0.30 -0.31 1.25 -1.50 0.00 0.00 178.83 178.26 3kko h LEU 109 N 0.00 0.55 -0.40 1.46 5.85 -0.86 -2.18 115.31 119.72 3kko h LEU 109 Ca -0.00 -0.55 0.03 0.00 0.84 0.00 0.00 57.88 58.19 3kko h LEU 109 Cb 0.64 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3kko h LEU 109 CO 0.04 1.00 0.22 0.40 -0.34 0.00 0.00 178.44 179.75 3kko h ILE 110 N 0.11 1.00 -0.47 4.05 2.04 -1.07 0.99 117.51 124.18 3kko h ILE 110 Ca 0.01 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.58 3kko h ILE 110 Cb 0.91 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3kko h ILE 110 CO 0.07 0.08 -0.25 -0.07 0.00 0.00 0.00 178.15 177.98 3kko h LEU 111 N 0.44 1.03 -0.20 1.44 3.38 -1.49 -0.83 115.31 119.07 3kko h LEU 111 Ca 0.17 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3kko h LEU 111 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3kko h LEU 111 CO -0.10 1.21 0.09 -0.09 0.09 0.00 0.00 178.44 179.64 3kko h ARG 112 N 0.84 0.29 -0.47 1.13 2.43 -1.27 0.10 114.38 117.43 3kko h ARG 112 Ca 0.10 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3kko h ARG 112 Cb 0.84 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 3kko h ARG 112 CO 0.07 0.33 -0.06 0.28 -1.51 0.00 0.00 179.97 179.08 3kko h VAL 113 N 0.18 1.25 0.00 0.20 2.07 -0.64 -2.69 116.25 116.62 3kko h VAL 113 Ca 0.07 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3kko h VAL 113 Cb 0.14 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3kko h VAL 113 CO -0.01 0.39 -0.54 0.29 0.02 0.00 0.00 177.57 177.72 3kko n LYS 114 N -4.18 0.03 -3.50 1.57 4.76 -0.33 -4.85 118.16 111.66 3kko n LYS 114 Ca 0.02 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.26 3kko n LYS 114 Cb 0.35 -1.52 0.06 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.57 -3.82 -3.86 4.39 4.64 -0.04 -5.01 116.55 111.29 3kko n ASP 115 Ca 0.05 -0.78 -0.11 0.00 -1.38 0.00 0.00 54.79 52.57 3kko n ASP 115 Cb 0.35 -4.51 -0.09 0.00 -1.04 0.00 0.00 41.12 35.82 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 -5.36 0.54 0.26 -0.67 1.81 -0.85 -5.06 118.95 109.62 3kko s ARG 116 Ca 0.23 -0.44 0.13 0.00 -1.72 0.00 0.00 55.73 53.93 3kko s ARG 116 Cb -0.05 0.22 0.23 0.00 -0.45 0.00 0.00 34.95 34.91 3kko s ARG 116 CO 0.78 -0.13 1.52 0.93 -0.68 0.00 0.00 175.30 177.72 3kko h GLU 117 N 4.08 0.00 -3.45 3.54 4.39 -1.95 -3.43 114.58 117.76 3kko h GLU 117 Ca -0.31 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.31 3kko h GLU 117 Cb 1.19 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.69 3kko h GLU 117 CO 0.42 0.62 -0.25 -1.54 -1.16 0.00 0.00 179.01 177.11 3kko s SER 118 N -6.60 -0.08 -0.13 1.42 1.04 -1.26 -5.06 113.70 103.02 3kko s SER 118 Ca 0.01 -0.33 -0.27 0.00 0.48 0.00 0.00 55.95 55.84 3kko s SER 118 Cb 0.10 0.37 0.07 0.00 0.10 0.00 0.00 66.02 66.66 3kko s SER 118 CO 0.75 -0.69 0.66 0.12 0.98 0.00 0.00 173.24 175.06 3kko s PHE 119 N -3.12 -0.67 -0.25 5.02 2.19 -1.26 -5.07 117.98 114.81 3kko s PHE 119 Ca -0.01 1.38 -0.39 0.00 0.33 0.00 0.00 56.93 58.24 3kko s PHE 119 Cb 0.01 0.33 -0.14 0.00 -1.31 0.00 0.00 43.02 41.90 3kko s PHE 119 CO -0.07 -0.49 1.83 -2.30 1.83 0.00 0.00 175.22 176.02 3kko n PRO 120 N 1.68 1.34 -3.53 10.12 -0.02 -1.26 -4.94 135.00 138.40 3kko n PRO 120 Ca -0.17 0.48 -0.17 0.00 -2.02 0.00 0.00 63.50 61.62 3kko n PRO 120 Cb 0.56 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 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 3.99 1.05 -0.04 -0.52 0.23 -1.26 -1.41 119.30 121.34 3kko s MET 121 Ca 0.99 0.18 0.03 0.00 -1.03 0.00 0.00 55.69 55.86 3kko s MET 121 Cb -0.98 0.49 0.00 0.00 -1.53 0.00 0.00 34.83 32.82 3kko s MET 121 CO 0.61 -0.34 -0.14 0.42 -2.03 0.00 0.00 175.02 173.55 3kko s ILE 122 N -1.38 1.18 -0.25 3.16 1.01 -0.48 -4.26 121.20 120.18 3kko s ILE 122 Ca -0.10 -0.56 -0.25 0.00 0.00 0.00 0.00 60.65 59.74 3kko s ILE 122 Cb -0.00 -1.04 -0.00 0.00 0.01 0.00 0.00 42.46 41.43 3kko s ILE 122 CO 0.08 0.35 0.84 -0.22 0.00 0.00 0.00 174.94 175.99 3kko s LEU 123 N 0.21 4.08 -0.26 2.97 2.96 -0.54 -1.06 118.68 127.02 3kko s LEU 123 Ca -0.06 0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 54.82 3kko s LEU 123 Cb -0.11 -3.19 0.03 0.00 0.50 0.00 0.00 46.19 43.41 3kko s LEU 123 CO 0.02 -0.55 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.79 3kko s VAL 124 N 2.89 3.09 -0.62 1.68 1.01 -0.02 -1.08 120.40 127.35 3kko s VAL 124 Ca 0.35 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 3kko s VAL 124 Cb -0.15 -2.60 0.10 0.00 0.00 0.00 0.00 36.38 33.73 3kko s VAL 124 CO 0.08 0.13 0.76 0.00 0.00 0.00 0.00 175.10 176.07 3kko s ALA 125 N 1.35 3.39 0.43 5.51 0.00 -0.11 -1.45 121.76 130.88 3kko s ALA 125 Ca -0.00 -2.23 0.01 0.00 0.00 0.00 0.00 51.96 49.74 3kko s ALA 125 Cb -0.17 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 3kko s ALA 125 CO -0.03 -2.43 0.64 1.21 0.00 0.00 0.00 175.76 175.15 3kko s ASN 126 N 3.60 5.83 -0.68 0.00 2.47 -0.12 -0.74 114.94 125.30 3kko s ASN 126 Ca 0.14 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.61 3kko s ASN 126 Cb -0.22 -1.45 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 3kko s ASN 126 CO 0.06 -0.67 0.00 0.29 -3.72 0.00 0.00 177.10 173.05 3kko n LYS 127 N -2.02 -0.56 0.14 0.43 5.02 -0.73 -1.48 118.16 118.97 3kko n LYS 127 Ca 0.01 0.50 0.11 0.00 -2.02 0.00 0.00 58.31 56.92 3kko n LYS 127 Cb 0.58 -4.38 0.53 0.00 -0.02 0.00 0.00 35.03 31.74 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 -3.55 0.98 0.29 -0.18 0.24 -1.01 -0.84 118.33 114.25 3kko n VAL 128 Ca -0.08 0.52 0.16 0.00 -2.04 0.00 0.00 64.34 62.89 3kko n VAL 128 Cb 0.45 -1.49 0.86 0.00 -1.47 0.00 0.00 33.84 32.19 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 -0.70 -1.34 2.03 -1.92 -3.30 116.42 111.18 3kko h ASP 129 Ca 0.00 0.00 -0.72 0.00 -0.73 0.00 0.00 57.03 55.58 3kko h ASP 129 Cb 0.15 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.59 3kko h ASP 129 CO 0.00 0.06 2.93 0.18 -1.03 0.00 0.00 179.24 181.39 3kko n LEU 130 N -3.52 8.12 -0.14 0.15 4.77 -0.02 -4.73 117.00 121.63 3kko n LEU 130 Ca -0.02 -4.64 0.01 0.00 -0.03 0.00 0.00 56.01 51.33 3kko n LEU 130 Cb 0.18 -1.46 0.29 0.00 -2.33 0.00 0.00 43.42 40.10 3kko n LEU 130 CO 0.27 1.95 1.17 0.24 -1.33 0.00 0.00 177.39 179.69 3kko h MET 131 N 4.93 0.82 0.00 3.23 2.86 -1.82 -0.75 114.93 124.20 3kko h MET 131 Ca 0.73 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.30 3kko h MET 131 Cb 0.34 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3kko h MET 131 CO 1.63 0.58 0.00 0.45 1.06 0.00 0.00 176.91 180.63 3kko h HIS 132 N 0.84 0.00 -0.30 -0.22 3.86 -1.94 -2.96 115.15 114.43 3kko h HIS 132 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3kko h HIS 132 Cb -0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3kko h HIS 132 CO 0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 3kko n LEU 133 N -2.93 2.83 -4.66 2.43 4.77 -0.32 -5.01 117.00 114.10 3kko n LEU 133 Ca 0.00 -1.69 -0.43 0.00 -0.03 0.00 0.00 56.01 53.86 3kko n LEU 133 Cb 0.24 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3kko n LEU 133 CO 0.24 0.66 1.20 -0.60 -1.33 0.00 0.00 177.39 177.57 3kko s ARG 134 N -1.04 4.22 -0.02 3.23 3.52 -1.03 -4.35 118.95 123.48 3kko s ARG 134 Ca 0.25 1.92 0.07 0.00 -0.13 0.00 0.00 55.73 57.84 3kko s ARG 134 Cb 0.14 -3.83 -0.11 0.00 -1.56 0.00 0.00 34.95 29.59 3kko s ARG 134 CO 0.19 -0.74 0.14 1.63 -0.81 0.00 0.00 175.30 175.70 3kko n LYS 135 N 6.64 0.80 -3.79 5.12 4.76 0.15 -4.93 118.16 126.92 3kko n LYS 135 Ca 0.15 -0.06 -0.36 0.00 -2.87 0.00 0.00 58.31 55.17 3kko n LYS 135 Cb 0.44 -1.18 -0.12 0.00 -1.84 0.00 0.00 35.03 32.32 3kko n LYS 135 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3kko s VAL 136 N -2.46 4.50 0.63 -0.18 1.01 -0.52 -4.97 120.40 118.41 3kko s VAL 136 Ca -0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 3kko s VAL 136 Cb 0.04 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 3kko s VAL 136 CO 0.32 0.35 1.02 0.42 0.00 0.00 0.00 175.10 177.21 3kko s THR 137 N 1.42 4.33 0.23 3.92 -4.23 -1.26 -4.88 115.64 115.17 3kko s THR 137 Ca 0.06 0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 61.16 3kko s THR 137 Cb -0.15 -3.74 0.20 0.00 1.34 0.00 0.00 72.50 70.15 3kko s THR 137 CO 0.04 -0.94 1.85 -0.09 -0.54 0.00 0.00 174.62 174.94 3kko h ARG 138 N -0.36 0.92 -0.65 3.99 2.43 -1.99 -1.89 114.38 116.83 3kko h ARG 138 Ca -0.45 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 58.71 3kko h ARG 138 Cb 1.21 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.51 3kko h ARG 138 CO 0.62 0.61 0.39 -0.44 -1.51 0.00 0.00 179.97 179.64 3kko h ASP 139 N 0.95 0.61 -0.49 -3.80 3.45 -1.99 0.14 116.42 115.29 3kko h ASP 139 Ca 0.35 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.82 3kko h ASP 139 Cb 0.12 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 3kko h ASP 139 CO -0.15 0.41 0.31 1.56 -1.57 0.00 0.00 179.24 179.80 3kko h GLN 140 N 0.74 0.66 -0.25 3.56 4.20 -1.83 -0.35 115.11 121.84 3kko h GLN 140 Ca 0.27 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.94 3kko h GLN 140 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3kko h GLN 140 CO -0.14 0.46 0.16 0.78 -0.67 0.00 0.00 178.83 179.42 3kko h GLY 141 N 0.66 0.34 1.14 3.46 0.00 -0.84 -2.42 103.07 105.42 3kko h GLY 141 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3kko h GLY 141 CO -0.04 0.12 0.35 0.50 0.00 0.00 0.00 176.54 177.47 3kko h LYS 142 N 0.32 1.11 -0.61 4.80 1.57 -0.84 -1.37 116.57 121.54 3kko h LYS 142 Ca 0.09 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3kko h LYS 142 Cb -0.03 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.03 3kko h LYS 142 CO -0.03 0.87 0.30 0.93 -0.57 0.00 0.00 179.45 180.95 3kko h GLU 143 N 1.09 0.53 -0.40 3.15 5.08 -0.84 0.21 114.58 123.41 3kko h GLU 143 Ca 0.26 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3kko h GLU 143 Cb 0.14 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3kko h GLU 143 CO -0.03 0.35 0.07 1.98 -1.00 0.00 0.00 179.01 180.38 3kko h MET 144 N 0.54 0.65 -0.96 2.33 4.05 -1.00 -0.60 114.93 119.94 3kko h MET 144 Ca 0.29 -0.17 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 3kko h MET 144 Cb 0.25 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 30.92 3kko h MET 144 CO -0.22 0.70 0.63 0.00 0.23 0.00 0.00 176.91 178.25 3kko h ALA 145 N 0.93 1.37 -0.18 0.39 0.00 -0.81 -2.20 119.26 118.77 3kko h ALA 145 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kko h ALA 145 Cb 0.36 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kko h ALA 145 CO 0.01 0.54 0.01 1.15 0.00 0.00 0.00 179.25 180.96 3kko h THR 146 N 1.22 1.24 -0.74 0.00 2.02 -0.36 0.16 112.91 116.45 3kko h THR 146 Ca 0.38 -0.79 0.15 0.00 0.77 0.00 0.00 66.41 66.92 3kko h THR 146 Cb -0.00 1.42 -0.10 0.00 -1.74 0.00 0.00 68.15 67.73 3kko h THR 146 CO -0.12 0.24 0.26 0.50 0.37 0.00 0.00 175.52 176.77 3kko h LYS 147 N 0.07 0.37 -0.02 6.66 3.64 -0.79 -2.40 116.57 124.10 3kko h LYS 147 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3kko h LYS 147 Cb 0.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3kko h LYS 147 CO 0.01 0.24 -0.23 0.66 -2.27 0.00 0.00 179.45 177.86 3kko n TYR 148 N -5.06 0.00 -3.67 1.91 4.01 -0.86 -4.99 117.16 108.51 3kko n TYR 148 Ca 0.14 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.62 3kko n TYR 148 Cb 0.43 -0.03 0.04 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.25 -3.63 -4.24 7.72 5.15 0.45 -5.03 115.26 115.93 3kko n ASN 149 Ca 0.13 -0.92 -0.14 0.00 -0.60 0.00 0.00 54.58 53.05 3kko n ASN 149 Cb 0.46 -3.75 -0.10 0.00 -0.53 0.00 0.00 39.78 35.86 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 -3.58 0.98 0.75 -1.44 -4.36 -0.57 -5.04 121.20 107.94 3kko s ILE 150 Ca 0.28 -2.02 -0.14 0.00 -0.26 0.00 0.00 60.65 58.51 3kko s ILE 150 Cb -0.09 -1.91 0.05 0.00 1.25 0.00 0.00 42.46 41.77 3kko s ILE 150 CO 0.84 -0.69 1.17 -2.84 0.24 0.00 0.00 174.94 173.66 3kko s PRO 151 N -3.80 2.09 -0.04 0.37 0.02 -1.26 -4.66 135.00 127.72 3kko s PRO 151 Ca 0.18 1.60 0.01 0.00 0.02 0.00 0.00 61.00 62.80 3kko s PRO 151 Cb 0.04 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.74 3kko s PRO 151 CO 0.01 -1.84 -0.02 -0.47 -0.33 0.00 0.00 177.00 174.35 3kko s TYR 152 N -2.26 0.51 -0.02 6.54 5.04 -1.26 -1.47 117.35 124.43 3kko s TYR 152 Ca 0.70 -0.09 -0.02 0.00 -2.44 0.00 0.00 57.07 55.22 3kko s TYR 152 Cb -0.25 -0.52 0.01 0.00 0.35 0.00 0.00 41.96 41.54 3kko s TYR 152 CO 0.48 -0.16 0.07 -1.50 -1.34 0.00 0.00 175.55 173.10 3kko s ILE 153 N 0.97 0.01 -0.13 3.14 2.07 -0.24 -4.99 121.20 122.02 3kko s ILE 153 Ca -0.10 -0.04 -0.10 0.00 -1.41 0.00 0.00 60.65 58.99 3kko s ILE 153 Cb -0.14 -0.11 -0.05 0.00 0.13 0.00 0.00 42.46 42.29 3kko s ILE 153 CO -0.01 -0.02 0.20 -1.61 -1.91 0.00 0.00 174.94 171.59 3kko s GLU 154 N -0.04 3.85 0.15 3.50 2.02 -1.26 -0.94 118.70 125.97 3kko s GLU 154 Ca -0.01 -0.04 0.03 0.00 0.02 0.00 0.00 54.97 54.96 3kko s GLU 154 Cb -0.01 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3kko s GLU 154 CO 0.00 0.54 -0.05 0.95 0.02 0.00 0.00 175.26 176.73 3kko s THR 155 N -0.39 0.83 -0.09 3.63 -4.23 0.08 -4.58 115.64 110.88 3kko s THR 155 Ca 0.15 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.62 3kko s THR 155 Cb -0.12 -1.92 0.05 0.00 1.34 0.00 0.00 72.50 71.84 3kko s THR 155 CO 0.04 -0.67 0.21 -0.55 -0.54 0.00 0.00 174.62 173.11 3kko s SER 156 N -3.14 -0.00 0.30 3.99 0.15 -0.83 -1.78 113.70 112.39 3kko s SER 156 Ca 0.18 0.45 0.24 0.00 0.70 0.00 0.00 55.95 57.52 3kko s SER 156 Cb 0.05 0.37 0.37 0.00 -1.71 0.00 0.00 66.02 65.10 3kko s SER 156 CO 0.00 -0.18 1.49 0.00 1.20 0.00 0.00 173.24 175.76 3kko h ALA 157 N 7.52 0.84 -2.75 5.45 0.00 -1.90 0.86 119.26 129.27 3kko h ALA 157 Ca -0.34 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.06 3kko h ALA 157 Cb 1.14 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.97 3kko h ALA 157 CO 0.33 0.00 0.51 0.21 0.00 0.00 0.00 179.25 180.29 3kko s LYS 158 N -3.21 4.28 0.20 0.00 2.20 -1.26 -4.61 119.74 117.34 3kko s LYS 158 Ca 0.06 1.86 -0.31 0.00 -0.36 0.00 0.00 55.97 57.22 3kko s LYS 158 Cb 0.09 -2.87 -0.10 0.00 -1.51 0.00 0.00 37.83 33.44 3kko s LYS 158 CO 0.69 -0.13 1.46 -0.51 -0.36 0.00 0.00 175.35 176.50 3kko s ASP 159 N -1.00 6.67 0.02 1.43 1.01 -1.26 -2.26 116.67 121.28 3kko s ASP 159 Ca 0.52 2.58 -0.30 0.00 0.71 0.00 0.00 52.55 56.06 3kko s ASP 159 Cb -0.32 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 40.97 3kko s ASP 159 CO 0.40 -0.72 1.00 -2.16 0.21 0.00 0.00 175.17 173.90 3kko s PRO 160 N 0.33 4.57 0.51 8.23 0.04 -1.26 -5.12 135.00 142.30 3kko s PRO 160 Ca 0.63 1.46 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 3kko s PRO 160 Cb -0.41 -3.44 -0.06 0.00 0.04 0.00 0.00 34.50 30.63 3kko s PRO 160 CO 0.37 -0.04 1.28 -1.25 0.04 0.00 0.00 177.00 177.41 3kko s PRO 161 N 0.88 3.38 -0.17 0.56 0.04 -0.96 -4.96 135.00 133.77 3kko s PRO 161 Ca 0.52 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.62 3kko s PRO 161 Cb -0.22 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.01 3kko s PRO 161 CO 0.28 -0.94 -0.17 -1.17 0.04 0.00 0.00 177.00 175.04 3kko s LEU 162 N -3.33 2.31 -2.20 -3.56 2.96 0.29 -4.78 118.68 110.38 3kko s LEU 162 Ca 0.68 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 3kko s LEU 162 Cb -0.36 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3kko s LEU 162 CO 0.43 0.04 0.00 0.59 -1.32 0.00 0.00 176.35 176.09 3kko n ASN 163 N 4.35 -5.53 0.25 3.68 3.02 -1.26 -1.97 115.26 117.80 3kko n ASN 163 Ca -0.20 0.50 -0.13 0.00 -0.03 0.00 0.00 54.58 54.72 3kko n ASN 163 Cb 0.51 -4.86 -0.06 0.00 -0.61 0.00 0.00 39.78 34.75 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 0.20 -0.69 2.41 2.07 -1.86 -0.63 116.25 117.76 3kko h VAL 164 Ca -0.43 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 66.64 3kko h VAL 164 Cb 1.36 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3kko h VAL 164 CO 0.63 0.04 0.42 0.44 0.02 0.00 0.00 177.57 179.11 3kko h ASP 165 N -1.10 0.66 -0.39 0.57 3.45 -1.95 -2.65 116.42 115.03 3kko h ASP 165 Ca -0.07 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.38 3kko h ASP 165 Cb 0.59 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.21 3kko h ASP 165 CO 0.12 0.45 0.19 0.50 -1.57 0.00 0.00 179.24 178.93 3kko h LYS 166 N 0.80 0.61 0.16 3.56 3.64 -1.96 -0.27 116.57 123.11 3kko h LYS 166 Ca 0.29 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3kko h LYS 166 Cb 0.07 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3kko h LYS 166 CO -0.13 0.50 -0.08 1.15 -2.27 0.00 0.00 179.45 178.62 3kko h THR 167 N 0.61 0.95 -0.46 1.00 2.02 -0.75 0.30 112.91 116.59 3kko h THR 167 Ca 0.15 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 3kko h THR 167 Cb 0.10 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3kko h THR 167 CO -0.02 0.12 0.10 -0.26 0.37 0.00 0.00 175.52 175.83 3kko h PHE 168 N -0.47 0.80 -0.74 3.16 -1.00 -1.35 -1.68 116.94 115.66 3kko h PHE 168 Ca -0.02 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 3kko h PHE 168 Cb 0.36 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.67 3kko h PHE 168 CO 0.01 0.73 0.42 0.45 -1.61 0.00 0.00 178.31 178.31 3kko h HIS 169 N 0.63 1.00 -0.80 -0.55 3.86 -1.04 -2.48 115.15 115.76 3kko h HIS 169 Ca 0.14 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3kko h HIS 169 Cb 0.35 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 3kko h HIS 169 CO 0.02 0.69 0.53 -0.44 0.86 0.00 0.00 177.93 179.59 3kko h ASP 170 N 1.01 0.89 -0.68 2.45 3.45 -0.11 -1.02 116.42 122.42 3kko h ASP 170 Ca 0.26 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.63 3kko h ASP 170 Cb 0.01 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.53 3kko h ASP 170 CO -0.05 0.64 0.14 0.25 -1.57 0.00 0.00 179.24 178.65 3kko h LEU 171 N 1.05 1.05 -0.66 1.55 5.85 -0.88 0.17 115.31 123.45 3kko h LEU 171 Ca 0.30 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kko h LEU 171 Cb -0.07 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.65 3kko h LEU 171 CO -0.07 1.03 0.40 0.58 -0.34 0.00 0.00 178.44 180.03 3kko h VAL 172 N 1.03 1.19 -0.57 1.05 2.07 -1.06 -0.52 116.25 119.45 3kko h VAL 172 Ca 0.21 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.36 3kko h VAL 172 Cb 0.40 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3kko h VAL 172 CO 0.01 0.20 0.30 0.03 0.02 0.00 0.00 177.57 178.13 3kko h ARG 173 N 0.89 0.56 -0.19 1.57 3.08 -0.73 0.21 114.38 119.78 3kko h ARG 173 Ca 0.24 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3kko h ARG 173 Cb -0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3kko h ARG 173 CO -0.04 0.37 0.11 0.28 -1.07 0.00 0.00 179.97 179.61 3kko h VAL 174 N 0.58 1.10 -0.56 2.04 2.07 -0.60 -2.39 116.25 118.49 3kko h VAL 174 Ca 0.25 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.58 3kko h VAL 174 Cb 0.14 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3kko h VAL 174 CO -0.16 0.10 0.18 0.40 0.02 0.00 0.00 177.57 178.11 3kko h ILE 175 N 0.21 0.76 0.00 4.57 2.04 -0.68 -1.84 117.51 122.57 3kko h ILE 175 Ca 0.07 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3kko h ILE 175 Cb 0.06 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3kko h ILE 175 CO -0.01 0.06 0.00 0.54 0.00 0.00 0.00 178.15 178.74 3kko n ARG 176 N -5.03 0.06 0.23 2.37 1.74 0.02 -1.93 116.66 114.12 3kko n ARG 176 Ca 0.07 0.40 0.15 0.00 -0.77 0.00 0.00 57.85 57.70 3kko n ARG 176 Cb 0.26 -1.65 0.58 0.00 -1.02 0.00 0.00 32.46 30.63 3kko n ARG 176 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3kko h GLN 177 N 0.00 0.00 0.00 5.56 1.08 -0.84 -3.51 115.11 117.40 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 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3kko h GLN 177 CO 0.00 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 178.92