#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 4.34 0.44 -4.53 1.43 -1.26 -5.08 118.68 114.02 3kko s LEU 11 Ca 0.00 0.77 -0.25 0.00 -1.03 0.00 0.00 54.13 53.62 3kko s LEU 11 Cb 0.00 -3.02 -0.08 0.00 0.03 0.00 0.00 46.19 43.12 3kko s LEU 11 CO 0.00 0.16 1.34 -2.84 0.23 0.00 0.00 176.35 175.24 3kko s PRO 12 N -2.00 3.76 -0.15 1.29 0.02 -1.26 -4.77 135.00 131.88 3kko s PRO 12 Ca 0.34 2.23 -0.03 0.00 0.02 0.00 0.00 61.00 63.56 3kko s PRO 12 Cb -0.14 -2.64 -0.02 0.00 0.02 0.00 0.00 34.50 31.72 3kko s PRO 12 CO 0.19 -0.69 -0.06 0.99 -0.33 0.00 0.00 177.00 177.10 3kko s THR 13 N -1.27 3.68 -0.12 0.99 2.01 -1.26 -0.78 115.64 118.89 3kko s THR 13 Ca 0.61 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.20 3kko s THR 13 Cb -0.40 -2.60 -0.00 0.00 0.01 0.00 0.00 72.50 69.51 3kko s THR 13 CO 0.50 0.50 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.41 3kko s TYR 14 N 0.43 2.64 -0.45 4.92 2.02 0.02 -4.97 117.35 121.95 3kko s TYR 14 Ca -0.05 -1.05 -0.22 0.00 -0.37 0.00 0.00 57.07 55.38 3kko s TYR 14 Cb -0.15 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.67 3kko s TYR 14 CO 0.03 -0.44 0.73 0.15 -1.57 0.00 0.00 175.55 174.46 3kko s LYS 15 N 0.49 3.34 -0.30 -0.62 1.02 -1.26 -1.03 119.74 121.38 3kko s LYS 15 Ca -0.14 -0.24 -0.10 0.00 0.02 0.00 0.00 55.97 55.51 3kko s LYS 15 Cb -0.17 -3.95 -0.02 0.00 -0.52 0.00 0.00 37.83 33.17 3kko s LYS 15 CO 0.05 -1.09 0.16 -0.51 -0.92 0.00 0.00 175.35 173.03 3kko s LEU 16 N 3.12 4.05 -0.20 3.17 1.43 0.06 -0.58 118.68 129.73 3kko s LEU 16 Ca 0.27 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.92 3kko s LEU 16 Cb -0.13 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3kko s LEU 16 CO 0.21 -0.16 0.01 -0.69 0.23 0.00 0.00 176.35 175.95 3kko s VAL 17 N 1.65 4.08 -0.29 -1.59 1.01 -0.01 -0.38 120.40 124.88 3kko s VAL 17 Ca 0.05 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 3kko s VAL 17 Cb -0.17 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 3kko s VAL 17 CO 0.07 0.43 0.14 -0.69 0.00 0.00 0.00 175.10 175.04 3kko s VAL 18 N 0.93 4.67 0.25 2.92 1.01 0.15 -1.21 120.40 129.13 3kko s VAL 18 Ca 0.02 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3kko s VAL 18 Cb -0.14 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 3kko s VAL 18 CO 0.02 0.19 -0.03 0.68 0.00 0.00 0.00 175.10 175.96 3kko s VAL 19 N 1.65 1.29 0.00 2.92 -7.23 -0.40 -2.65 120.40 115.97 3kko s VAL 19 Ca 0.06 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3kko s VAL 19 Cb -0.16 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3kko s VAL 19 CO 0.06 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 3kko n GLY 20 N -0.49 4.00 3.60 2.32 0.00 -1.26 -0.77 105.19 112.59 3kko n GLY 20 Ca -0.05 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.20 -4.68 1.61 10.43 -1.26 -4.06 116.55 118.39 3kko n ASP 21 Ca 0.00 0.43 -0.44 0.00 2.57 0.00 0.00 54.79 57.35 3kko n ASP 21 Cb 0.00 -1.41 -0.02 0.00 1.84 0.00 0.00 41.12 41.53 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 0.65 0.62 2.78 0.44 0.00 -1.19 -2.94 105.19 105.56 3kko n GLY 22 Ca 0.11 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 1.53 0.83 0.16 -0.02 0.00 -1.26 -4.91 105.19 101.52 3kko n GLY 23 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3kko n GLY 23 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kko h VAL 24 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -3.47 116.25 110.99 3kko h VAL 24 Ca 0.00 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 3kko h VAL 24 Cb 0.01 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 3kko h VAL 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3kko n GLY 25 N 0.76 1.63 0.14 5.19 0.00 -1.26 -4.47 105.19 107.17 3kko n GLY 25 Ca 0.04 0.00 -0.07 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 0.24 -0.49 1.61 1.57 -1.90 -0.04 116.57 117.55 3kko h LYS 26 Ca 0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3kko h LYS 26 Cb 0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3kko h LYS 26 CO 0.00 0.16 -0.06 0.77 -0.57 0.00 0.00 179.45 179.74 3kko h SER 27 N 0.24 0.91 -0.82 0.86 0.02 -1.96 -1.54 113.55 111.27 3kko h SER 27 Ca 0.13 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 3kko h SER 27 Cb 0.10 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 3kko h SER 27 CO -0.14 1.03 0.38 0.00 -1.14 0.00 0.00 176.83 176.96 3kko h ALA 28 N 0.91 1.06 -0.20 3.77 0.00 -1.86 0.10 119.26 123.05 3kko h ALA 28 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kko h ALA 28 Cb 0.60 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kko h ALA 28 CO 0.04 0.64 0.06 -0.07 0.00 0.00 0.00 179.25 179.92 3kko h LEU 29 N 1.17 0.29 -0.45 0.00 3.38 -0.88 -1.08 115.31 117.73 3kko h LEU 29 Ca 0.28 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kko h LEU 29 Cb 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3kko h LEU 29 CO -0.03 0.41 0.28 0.74 0.09 0.00 0.00 178.44 179.93 3kko h THR 30 N 0.15 1.14 -0.57 0.22 2.02 -0.95 -0.83 112.91 114.09 3kko h THR 30 Ca 0.06 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 3kko h THR 30 Cb 0.23 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3kko h THR 30 CO -0.00 0.14 0.01 0.40 0.37 0.00 0.00 175.52 176.44 3kko h ILE 31 N 0.61 1.26 -0.43 3.11 2.04 -0.75 -0.58 117.51 122.76 3kko h ILE 31 Ca 0.16 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.95 3kko h ILE 31 Cb -0.02 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3kko h ILE 31 CO -0.03 0.39 0.26 1.56 0.00 0.00 0.00 178.15 180.33 3kko h GLN 32 N 0.90 0.50 -0.45 2.37 1.08 -0.96 0.36 115.11 118.91 3kko h GLN 32 Ca 0.17 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.38 3kko h GLN 32 Cb 0.51 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 3kko h GLN 32 CO 0.02 0.33 0.20 0.35 -0.95 0.00 0.00 178.83 178.79 3kko h PHE 33 N 0.52 0.36 0.17 2.96 -0.00 -0.66 -0.88 116.94 119.41 3kko h PHE 33 Ca 0.17 0.02 -0.35 0.00 -0.00 0.00 0.00 57.97 57.81 3kko h PHE 33 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 35.95 35.86 3kko h PHE 33 CO -0.07 0.17 -1.80 0.74 -0.00 0.00 0.00 178.31 177.35 3kko h PHE 34 N 0.40 0.64 0.00 0.41 0.04 -1.00 -3.41 116.94 114.02 3kko h PHE 34 Ca 0.20 -0.46 0.00 0.00 2.80 0.00 0.00 57.97 60.51 3kko h PHE 34 Cb 0.15 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3kko h PHE 34 CO -0.12 1.68 -0.51 1.04 -0.60 0.00 0.00 178.31 179.79 3kko n GLN 35 N -3.55 3.83 -2.68 1.51 6.02 0.13 -5.00 117.38 117.64 3kko n GLN 35 Ca -0.26 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.51 3kko n GLN 35 Cb 1.07 -0.91 0.01 0.00 1.02 0.00 0.00 30.24 31.43 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 -1.27 -3.09 -4.34 -1.09 5.02 -0.33 -4.98 118.16 108.07 3kko n LYS 36 Ca 0.01 0.95 -0.20 0.00 -2.02 0.00 0.00 58.31 57.05 3kko n LYS 36 Cb 0.13 -5.70 -0.11 0.00 -0.02 0.00 0.00 35.03 29.33 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 -3.09 1.80 -0.22 -0.18 -4.36 -1.26 -4.99 121.20 108.90 3kko s ILE 37 Ca 0.13 -2.09 -0.08 0.00 -0.26 0.00 0.00 60.65 58.35 3kko s ILE 37 Cb -0.06 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 3kko s ILE 37 CO 0.17 -0.47 0.09 0.12 0.24 0.00 0.00 174.94 175.09 3kko s PHE 38 N -2.55 3.20 -0.18 1.37 5.36 -1.26 -3.26 117.98 120.65 3kko s PHE 38 Ca 0.20 -0.06 -0.20 0.00 -0.96 0.00 0.00 56.93 55.91 3kko s PHE 38 Cb -0.03 -2.19 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 3kko s PHE 38 CO 0.07 -0.06 0.59 0.14 -1.46 0.00 0.00 175.22 174.50 3kko s VAL 39 N 1.01 5.06 0.03 3.12 -7.23 -1.26 -4.96 120.40 116.17 3kko s VAL 39 Ca 0.05 1.11 -0.06 0.00 -1.81 0.00 0.00 61.98 61.26 3kko s VAL 39 Cb -0.14 -3.91 -0.30 0.00 0.56 0.00 0.00 36.38 32.60 3kko s VAL 39 CO 0.03 0.16 0.96 0.44 -0.31 0.00 0.00 175.10 176.38 3kko h ASP 40 N 7.35 0.51 -4.14 4.85 3.32 -2.01 -3.47 116.42 122.83 3kko h ASP 40 Ca -0.34 -0.62 -0.50 0.00 0.02 0.00 0.00 57.03 55.60 3kko h ASP 40 Cb 1.15 -0.16 0.07 0.00 0.22 0.00 0.00 39.33 40.61 3kko h ASP 40 CO 0.76 1.50 0.40 -1.61 -1.72 0.00 0.00 179.24 178.57 3kko s GLU 41 N -2.62 3.24 -0.71 3.56 8.01 -1.26 -5.01 118.70 123.91 3kko s GLU 41 Ca -0.08 1.44 -0.05 0.00 0.01 0.00 0.00 54.97 56.29 3kko s GLU 41 Cb 0.06 -2.01 0.18 0.00 -4.31 0.00 0.00 34.13 28.06 3kko s GLU 41 CO 0.88 -0.90 0.56 -0.47 0.01 0.00 0.00 175.26 175.34 3kko s TYR 42 N -2.09 3.54 -0.31 1.61 6.04 -1.26 -5.04 117.35 119.84 3kko s TYR 42 Ca 0.69 -2.61 -0.08 0.00 0.04 0.00 0.00 57.07 55.11 3kko s TYR 42 Cb -0.20 -3.34 0.01 0.00 -1.04 0.00 0.00 41.96 37.39 3kko s TYR 42 CO 0.32 -0.86 0.11 -0.51 -1.54 0.00 0.00 175.55 173.07 3kko s ASP 43 N 0.89 5.30 0.35 4.32 1.01 -1.26 -5.08 116.67 122.19 3kko s ASP 43 Ca 0.19 -0.79 -0.28 0.00 0.71 0.00 0.00 52.55 52.38 3kko s ASP 43 Cb -0.16 -1.91 -0.10 0.00 1.01 0.00 0.00 42.92 41.75 3kko s ASP 43 CO -0.06 -0.24 1.27 -2.16 0.21 0.00 0.00 175.17 174.20 3kko s PRO 44 N 1.51 4.27 0.11 8.23 0.04 -1.26 -5.00 135.00 142.90 3kko s PRO 44 Ca 0.02 2.13 -0.14 0.00 0.04 0.00 0.00 61.00 63.05 3kko s PRO 44 Cb -0.18 -2.98 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 3kko s PRO 44 CO 0.04 -0.22 0.51 0.99 0.04 0.00 0.00 177.00 178.35 3kko s THR 45 N -1.19 4.90 -0.20 1.26 2.01 -1.26 -5.01 115.64 116.14 3kko s THR 45 Ca 0.51 0.82 -0.16 0.00 0.31 0.00 0.00 61.69 63.17 3kko s THR 45 Cb -0.38 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.31 3kko s THR 45 CO 0.50 0.33 -0.28 -0.38 -0.69 0.00 0.00 174.62 174.10 3kko n ILE 46 N 1.06 1.50 -3.64 1.82 5.41 -1.26 -4.19 119.36 120.07 3kko n ILE 46 Ca -0.07 -0.01 -0.02 0.00 1.00 0.00 0.00 62.75 63.65 3kko n ILE 46 Cb 0.52 -2.20 -0.06 0.00 -0.71 0.00 0.00 39.64 37.18 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 -2.65 0.38 0.02 0.38 2.56 -1.26 -3.06 118.70 115.07 3kko s GLU 47 Ca -0.29 0.66 0.02 0.00 0.00 0.00 0.00 54.97 55.36 3kko s GLU 47 Cb 0.07 0.09 -0.02 0.00 2.00 0.00 0.00 34.13 36.27 3kko s GLU 47 CO 0.43 -0.08 -0.07 -0.51 -0.56 0.00 0.00 175.26 174.46 3kko s ASP 48 N 1.38 0.83 -0.01 -1.70 1.11 -0.61 -5.01 116.67 112.66 3kko s ASP 48 Ca -0.09 -0.36 0.07 0.00 0.18 0.00 0.00 52.55 52.34 3kko s ASP 48 Cb -0.04 -0.02 -0.02 0.00 1.07 0.00 0.00 42.92 43.92 3kko s ASP 48 CO -0.15 -0.08 -0.22 -0.55 1.18 0.00 0.00 175.17 175.36 3kko s SER 49 N -0.97 2.53 -0.02 0.27 0.15 -1.26 -0.27 113.70 114.13 3kko s SER 49 Ca -0.04 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.23 3kko s SER 49 Cb -0.07 -0.28 -0.00 0.00 -1.71 0.00 0.00 66.02 63.96 3kko s SER 49 CO 0.00 0.26 -0.09 -0.31 1.20 0.00 0.00 173.24 174.30 3kko s TYR 50 N -0.53 0.90 -0.06 3.44 1.51 -0.21 -4.96 117.35 117.44 3kko s TYR 50 Ca 0.08 -0.20 0.05 0.00 -1.01 0.00 0.00 57.07 55.99 3kko s TYR 50 Cb -0.08 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.13 3kko s TYR 50 CO -0.01 -0.06 -0.19 0.50 -1.11 0.00 0.00 175.55 174.68 3kko s ARG 51 N -0.01 2.56 -0.00 -0.62 3.52 -1.26 -0.27 118.95 122.87 3kko s ARG 51 Ca 0.00 -0.79 -0.09 0.00 -0.13 0.00 0.00 55.73 54.72 3kko s ARG 51 Cb -0.06 -2.29 0.01 0.00 -1.56 0.00 0.00 34.95 31.04 3kko s ARG 51 CO 0.00 0.49 0.18 -1.59 -0.81 0.00 0.00 175.30 173.58 3kko s LYS 52 N -0.41 0.52 -0.01 5.12 -2.85 -0.47 -5.00 119.74 116.64 3kko s LYS 52 Ca 0.04 -0.32 -0.26 0.00 -1.00 0.00 0.00 55.97 54.43 3kko s LYS 52 Cb -0.12 0.22 -0.04 0.00 -2.06 0.00 0.00 37.83 35.83 3kko s LYS 52 CO 0.02 -0.13 0.81 -1.01 0.10 0.00 0.00 175.35 175.14 3kko s HIS 53 N -1.31 3.65 0.07 1.78 3.76 -1.26 -0.40 115.29 121.58 3kko s HIS 53 Ca -0.14 1.46 -0.11 0.00 -0.15 0.00 0.00 55.06 56.13 3kko s HIS 53 Cb -0.07 -2.92 0.01 0.00 1.11 0.00 0.00 32.58 30.71 3kko s HIS 53 CO 0.02 0.10 0.23 -0.08 -0.85 0.00 0.00 174.74 174.17 3kko s THR 54 N 0.65 0.12 -0.23 1.30 -1.32 -0.26 -4.98 115.64 110.92 3kko s THR 54 Ca 0.43 -0.95 -0.05 0.00 -1.21 0.00 0.00 61.69 59.90 3kko s THR 54 Cb -0.20 -1.13 -0.02 0.00 -1.51 0.00 0.00 72.50 69.64 3kko s THR 54 CO 0.23 -0.52 0.01 -0.70 -2.21 0.00 0.00 174.62 171.42 3kko s GLU 55 N -3.25 3.54 -0.12 7.08 2.12 -1.26 -0.74 118.70 126.06 3kko s GLU 55 Ca 0.00 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.80 3kko s GLU 55 Cb 0.02 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.28 3kko s GLU 55 CO -0.08 -0.14 -0.16 0.42 -0.54 0.00 0.00 175.26 174.76 3kko s ILE 56 N 1.41 1.56 -1.40 -3.70 1.01 -0.68 -4.78 121.20 114.62 3kko s ILE 56 Ca 0.05 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 3kko s ILE 56 Cb -0.15 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.92 3kko s ILE 56 CO 0.00 0.45 0.57 0.47 0.00 0.00 0.00 174.94 176.44 3kko n ASP 57 N 4.27 -1.08 -0.13 3.58 8.00 -1.26 -1.57 116.55 128.36 3kko n ASP 57 Ca -0.19 -0.93 -0.02 0.00 0.71 0.00 0.00 54.79 54.37 3kko n ASP 57 Cb 0.51 -3.43 -0.01 0.00 -0.02 0.00 0.00 41.12 38.18 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 -2.98 -4.72 -3.94 -2.24 4.13 -1.26 -4.98 115.26 99.27 3kko n ASN 58 Ca -0.26 0.04 -0.28 0.00 1.68 0.00 0.00 54.58 55.77 3kko n ASN 58 Cb 0.66 -2.37 -0.17 0.00 -1.54 0.00 0.00 39.78 36.36 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 -1.43 1.74 0.35 3.52 -0.21 -0.61 -5.11 119.66 117.91 3kko s GLN 59 Ca 0.00 -0.34 -0.25 0.00 0.02 0.00 0.00 55.36 54.79 3kko s GLN 59 Cb 0.00 -1.73 -0.10 0.00 1.00 0.00 0.00 33.01 32.18 3kko s GLN 59 CO 0.00 -0.26 0.96 -1.58 -2.12 0.00 0.00 175.29 172.29 3kko s TRP 60 N 1.64 3.58 0.10 0.91 0.52 -1.26 -1.68 118.94 122.74 3kko s TRP 60 Ca 0.05 1.74 -0.10 0.00 0.02 0.00 0.00 56.10 57.81 3kko s TRP 60 Cb -0.13 -2.94 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 3kko s TRP 60 CO -0.09 0.05 0.22 0.00 0.02 0.00 0.00 176.95 177.15 3kko s ALA 61 N -1.70 -0.30 -0.22 0.98 0.00 0.08 -4.42 121.76 116.18 3kko s ALA 61 Ca 0.53 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 3kko s ALA 61 Cb -0.18 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 3kko s ALA 61 CO 0.23 -0.53 0.20 0.42 0.00 0.00 0.00 175.76 176.08 3kko s ILE 62 N -3.86 5.34 -0.25 0.00 1.01 0.03 -1.10 121.20 122.38 3kko s ILE 62 Ca 0.05 0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.92 3kko s ILE 62 Cb 0.04 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 3kko s ILE 62 CO -0.11 0.35 0.04 -0.76 0.00 0.00 0.00 174.94 174.46 3kko s LEU 63 N 0.95 3.31 -0.40 2.97 1.43 0.46 -0.80 118.68 126.60 3kko s LEU 63 Ca 0.10 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 3kko s LEU 63 Cb -0.13 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.27 3kko s LEU 63 CO 0.04 -0.05 0.27 -1.81 0.23 0.00 0.00 176.35 175.03 3kko s ASP 64 N 1.56 5.89 -0.25 2.29 1.01 -0.20 -1.37 116.67 125.59 3kko s ASP 64 Ca 0.06 -1.08 -0.14 0.00 0.71 0.00 0.00 52.55 52.09 3kko s ASP 64 Cb -0.15 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 3kko s ASP 64 CO 0.01 -0.46 0.34 -0.69 0.21 0.00 0.00 175.17 174.58 3kko s VAL 65 N 1.59 5.22 -0.35 -1.27 1.01 0.63 -0.76 120.40 126.47 3kko s VAL 65 Ca 0.03 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 3kko s VAL 65 Cb -0.20 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 3kko s VAL 65 CO 0.07 0.21 0.23 -0.76 0.00 0.00 0.00 175.10 174.85 3kko s LEU 66 N 1.72 4.57 -0.40 3.92 1.02 0.49 -1.05 118.68 128.96 3kko s LEU 66 Ca 0.14 -0.62 -0.15 0.00 0.02 0.00 0.00 54.13 53.52 3kko s LEU 66 Cb -0.15 -2.10 0.01 0.00 0.02 0.00 0.00 46.19 43.98 3kko s LEU 66 CO 0.09 -0.29 0.32 -0.62 0.02 0.00 0.00 176.35 175.87 3kko s ASP 67 N 1.67 6.12 0.49 2.29 2.15 0.63 -0.67 116.67 129.35 3kko s ASP 67 Ca 0.05 -0.74 0.04 0.00 0.43 0.00 0.00 52.55 52.33 3kko s ASP 67 Cb -0.18 -2.17 0.02 0.00 -0.30 0.00 0.00 42.92 40.29 3kko s ASP 67 CO 0.09 -0.44 0.69 0.42 -0.17 0.00 0.00 175.17 175.76 3kko s THR 68 N 1.80 2.81 -0.01 1.71 -4.23 -1.08 -1.57 115.64 115.07 3kko s THR 68 Ca 0.07 -0.81 -0.28 0.00 -1.18 0.00 0.00 61.69 59.49 3kko s THR 68 Cb -0.18 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 3kko s THR 68 CO 0.11 0.00 0.89 0.00 -0.54 0.00 0.00 174.62 175.08 3kko s ALA 69 N -2.58 3.23 -0.11 3.99 0.00 -1.17 -4.81 121.76 120.30 3kko s ALA 69 Ca 0.56 0.41 0.15 0.00 0.00 0.00 0.00 51.96 53.09 3kko s ALA 69 Cb -0.10 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 3kko s ALA 69 CO 0.36 -0.16 1.14 0.78 0.00 0.00 0.00 175.76 177.88 3kko h GLY 70 N 6.62 0.00 -5.15 0.00 0.00 -1.80 -3.46 103.07 99.28 3kko h GLY 70 Ca -0.41 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.39 3kko h GLY 70 CO 0.75 0.00 1.16 1.20 0.00 0.00 0.00 176.54 179.64 3kko s GLN 71 N -2.91 4.14 0.62 4.80 -1.52 -1.26 -3.15 119.66 120.38 3kko s GLN 71 Ca 0.00 2.58 0.38 0.00 -1.95 0.00 0.00 55.36 56.37 3kko s GLN 71 Cb 0.08 -3.84 2.05 0.00 -0.22 0.00 0.00 33.01 31.08 3kko s GLN 71 CO 0.78 -0.88 2.26 1.49 -0.25 0.00 0.00 175.29 178.69 3kko h GLU 72 N 9.44 0.00 0.00 2.91 4.57 -2.00 -2.05 114.58 127.45 3kko h GLU 72 Ca -0.47 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 3kko h GLU 72 Cb 1.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3kko h GLU 72 CO 0.94 0.02 -0.03 1.05 -1.18 0.00 0.00 179.01 179.81 3kko h GLU 73 N 0.00 0.00 -0.68 1.92 9.09 -1.98 -2.36 114.58 120.57 3kko h GLU 73 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3kko h GLU 73 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 3kko h GLU 73 CO 0.00 0.03 0.00 1.19 0.05 0.00 0.00 179.01 180.28 3kko n PHE 74 N -3.35 1.35 0.01 2.06 3.01 -0.77 -4.65 117.46 115.12 3kko n PHE 74 Ca -0.02 -0.58 0.02 0.00 1.01 0.00 0.00 57.45 57.89 3kko n PHE 74 Cb 0.15 -0.17 0.38 0.00 -0.01 0.00 0.00 39.48 39.83 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 4.19 0.45 -0.35 4.37 4.64 -1.57 -1.67 113.55 123.63 3kko h SER 75 Ca 0.00 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3kko h SER 75 Cb 1.32 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 3kko h SER 75 CO 0.16 0.42 0.15 0.00 -0.87 0.00 0.00 176.83 176.69 3kko h ALA 76 N 1.66 0.45 -0.42 5.18 0.00 -1.84 -1.19 119.26 123.09 3kko h ALA 76 Ca 0.13 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3kko h ALA 76 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kko h ALA 76 CO -0.01 0.03 -0.25 0.52 0.00 0.00 0.00 179.25 179.54 3kko h MET 77 N 0.42 0.92 -0.20 0.00 2.07 -1.78 -2.98 114.93 113.37 3kko h MET 77 Ca 0.12 -0.42 0.04 0.00 -2.07 0.00 0.00 59.70 57.37 3kko h MET 77 Cb 0.16 -0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 29.83 3kko h MET 77 CO -0.01 1.07 -0.05 -0.09 1.07 0.00 0.00 176.91 178.90 3kko h ARG 78 N 0.74 0.00 -0.64 1.72 2.43 -1.19 -2.34 114.38 115.09 3kko h ARG 78 Ca 0.09 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.38 3kko h ARG 78 Cb 0.83 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.29 3kko h ARG 78 CO 0.07 0.00 0.19 1.49 -1.51 0.00 0.00 179.97 180.21 3kko h GLU 79 N 0.00 0.33 -0.64 0.20 4.81 -1.12 0.26 114.58 118.43 3kko h GLU 79 Ca 0.10 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3kko h GLU 79 Cb 0.15 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3kko h GLU 79 CO -0.21 0.22 0.40 1.96 -0.73 0.00 0.00 179.01 180.65 3kko h GLN 80 N 0.34 0.85 -0.46 1.92 1.08 -1.32 -2.39 115.11 115.14 3kko h GLN 80 Ca 0.34 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.41 3kko h GLN 80 Cb 0.49 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 3kko h GLN 80 CO -0.38 0.60 0.01 1.88 -0.95 0.00 0.00 178.83 179.98 3kko h TYR 81 N 0.86 0.78 -0.07 2.96 -1.99 -0.84 -3.04 116.97 115.63 3kko h TYR 81 Ca 0.23 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.82 3kko h TYR 81 Cb -0.05 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.45 3kko h TYR 81 CO -0.02 0.72 -0.14 0.52 -0.00 0.00 0.00 178.16 179.24 3kko h MET 82 N 0.70 0.11 0.00 4.88 2.86 -0.49 -2.79 114.93 120.20 3kko h MET 82 Ca 0.14 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3kko h MET 82 Cb 0.41 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3kko h MET 82 CO 0.02 0.25 -0.01 0.00 1.06 0.00 0.00 176.91 178.23 3kko h ARG 83 N 0.10 0.00 -0.01 1.72 3.08 -1.34 -1.49 114.38 116.45 3kko h ARG 83 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kko h ARG 83 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3kko h ARG 83 CO 0.02 0.01 -0.17 0.25 -1.07 0.00 0.00 179.97 179.01 3kko n THR 84 N -3.22 0.00 -2.19 2.04 -2.24 -1.05 -4.92 114.28 102.71 3kko n THR 84 Ca -0.02 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 3kko n THR 84 Cb 0.13 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 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 -2.45 2.92 0.03 3.38 0.00 -0.56 -4.80 107.32 105.84 3kko s GLY 85 Ca 0.28 1.11 0.22 0.00 0.00 0.00 0.00 44.72 46.32 3kko s GLY 85 CO 0.49 1.67 0.69 1.22 0.00 0.00 0.00 173.10 177.17 3kko n ASP 86 N 0.27 0.32 -3.53 1.64 8.00 0.25 -4.99 116.55 118.51 3kko n ASP 86 Ca 0.03 -0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.45 3kko n ASP 86 Cb 0.45 1.46 -0.02 0.00 -0.02 0.00 0.00 41.12 42.98 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 -4.30 -0.40 -0.00 0.44 0.00 -1.11 -4.60 107.32 97.34 3kko s GLY 87 Ca -0.04 1.27 0.04 0.00 0.00 0.00 0.00 44.72 45.98 3kko s GLY 87 CO 0.87 0.47 -0.13 -1.36 0.00 0.00 0.00 173.10 172.95 3kko s PHE 88 N -2.72 1.14 -0.26 1.90 0.40 -0.64 -0.83 117.98 116.97 3kko s PHE 88 Ca 0.05 -0.23 -0.09 0.00 -0.60 0.00 0.00 56.93 56.06 3kko s PHE 88 Cb -0.01 -0.72 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 3kko s PHE 88 CO -0.07 -0.01 0.13 -0.51 0.70 0.00 0.00 175.22 175.46 3kko s LEU 89 N -0.41 3.74 -0.47 -0.37 1.43 -0.35 -1.39 118.68 120.87 3kko s LEU 89 Ca 0.04 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 3kko s LEU 89 Cb -0.05 -2.02 0.05 0.00 0.03 0.00 0.00 46.19 44.19 3kko s LEU 89 CO -0.00 -0.03 0.51 -0.63 0.23 0.00 0.00 176.35 176.43 3kko s ILE 90 N 1.62 5.02 -0.16 -0.59 1.01 -0.26 -1.28 121.20 126.56 3kko s ILE 90 Ca 0.07 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 3kko s ILE 90 Cb -0.15 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3kko s ILE 90 CO 0.07 -0.62 0.09 -0.69 0.00 0.00 0.00 174.94 173.79 3kko s VAL 91 N 2.26 5.08 0.31 2.92 1.01 0.05 -0.59 120.40 131.45 3kko s VAL 91 Ca 0.12 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.21 3kko s VAL 91 Cb -0.19 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 3kko s VAL 91 CO 0.12 0.52 -0.00 -0.72 0.00 0.00 0.00 175.10 175.01 3kko s TYR 92 N -0.20 2.01 -0.19 5.22 1.13 -0.43 -4.11 117.35 120.77 3kko s TYR 92 Ca 0.09 -0.81 -0.08 0.00 -1.41 0.00 0.00 57.07 54.86 3kko s TYR 92 Cb -0.12 -1.26 -0.04 0.00 -1.10 0.00 0.00 41.96 39.44 3kko s TYR 92 CO 0.01 0.18 0.09 0.45 -2.51 0.00 0.00 175.55 173.77 3kko s SER 93 N -3.49 5.85 0.06 -0.18 0.15 -1.26 -0.73 113.70 114.10 3kko s SER 93 Ca 0.33 0.13 0.10 0.00 0.70 0.00 0.00 55.95 57.20 3kko s SER 93 Cb 0.07 -2.01 0.44 0.00 -1.71 0.00 0.00 66.02 62.80 3kko s SER 93 CO 0.14 0.17 1.30 1.33 1.20 0.00 0.00 173.24 177.38 3kko n VAL 94 N 3.60 1.43 1.13 4.45 0.24 -0.35 -1.25 118.33 127.58 3kko n VAL 94 Ca -0.16 0.41 0.12 0.00 -2.04 0.00 0.00 64.34 62.67 3kko n VAL 94 Cb 0.52 -1.31 0.18 0.00 -1.47 0.00 0.00 33.84 31.76 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 -1.65 0.00 -3.86 3.34 -2.24 -1.26 0.06 114.28 108.67 3kko n THR 95 Ca 0.01 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 3kko n THR 95 Cb 0.09 0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 69.05 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 -2.44 4.34 0.29 3.42 -1.08 -0.38 -4.74 116.67 116.08 3kko s ASP 96 Ca 0.22 -1.96 -0.01 0.00 -0.52 0.00 0.00 52.55 50.29 3kko s ASP 96 Cb 0.19 -1.22 0.43 0.00 -1.46 0.00 0.00 42.92 40.85 3kko s ASP 96 CO 0.52 -0.39 1.85 0.50 0.52 0.00 0.00 175.17 178.18 3kko h LYS 97 N 7.76 0.83 -0.72 4.34 3.64 -1.88 -2.40 116.57 128.15 3kko h LYS 97 Ca -0.09 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3kko h LYS 97 Cb 1.01 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 3kko h LYS 97 CO 0.50 0.72 0.40 0.00 -2.27 0.00 0.00 179.45 178.80 3kko h ALA 98 N 1.38 1.35 -0.13 5.00 0.00 -1.94 -0.89 119.26 124.02 3kko h ALA 98 Ca 0.19 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3kko h ALA 98 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kko h ALA 98 CO -0.01 0.54 -0.33 0.66 0.00 0.00 0.00 179.25 180.11 3kko h SER 99 N 1.00 0.27 -0.13 0.00 4.64 -1.75 -0.99 113.55 116.58 3kko h SER 99 Ca 0.26 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3kko h SER 99 Cb 0.02 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3kko h SER 99 CO -0.04 0.59 -0.24 0.15 -0.87 0.00 0.00 176.83 176.41 3kko h PHE 100 N 0.23 0.50 0.00 4.77 3.57 -1.25 -3.09 116.94 121.67 3kko h PHE 100 Ca 0.03 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 3kko h PHE 100 Cb 0.70 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 3kko h PHE 100 CO 0.01 0.86 -0.06 0.93 -2.23 0.00 0.00 178.31 177.82 3kko h GLU 101 N 0.00 0.00 -0.00 1.11 5.08 -0.83 -2.07 114.58 117.87 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 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3kko h GLU 101 CO 0.05 0.06 -0.03 0.72 -1.00 0.00 0.00 179.01 178.82 3kko n HIS 102 N -3.58 0.00 -0.25 4.33 8.25 -0.41 -3.91 115.22 119.66 3kko n HIS 102 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3kko n HIS 102 Cb 0.18 -0.09 0.14 0.00 1.12 0.00 0.00 29.99 31.34 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 0.59 0.85 -0.67 1.59 2.07 -1.38 -2.20 116.25 117.10 3kko h VAL 103 Ca 0.00 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.41 3kko h VAL 103 Cb 0.23 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.11 3kko h VAL 103 CO 0.00 0.11 0.29 0.44 0.02 0.00 0.00 177.57 178.43 3kko h ASP 104 N 0.61 0.32 0.09 0.57 3.32 -1.79 0.18 116.42 119.72 3kko h ASP 104 Ca 0.35 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 3kko h ASP 104 Cb 0.36 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3kko h ASP 104 CO -0.27 0.18 -0.04 -0.09 -1.72 0.00 0.00 179.24 177.30 3kko h ARG 105 N 0.48 -0.12 -0.66 3.56 1.12 -1.72 -1.65 114.38 115.41 3kko h ARG 105 Ca 0.34 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.32 3kko h ARG 105 Cb 0.41 0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 30.32 3kko h ARG 105 CO -0.31 0.15 0.26 0.74 -3.11 0.00 0.00 179.97 177.71 3kko h PHE 106 N -0.39 0.46 -0.20 2.20 -1.00 -0.97 0.18 116.94 117.22 3kko h PHE 106 Ca -0.01 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.84 3kko h PHE 106 Cb 0.33 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.74 3kko h PHE 106 CO 0.01 0.11 -0.06 1.25 -1.61 0.00 0.00 178.31 178.02 3kko h HIS 107 N 0.45 -0.13 -0.17 -0.55 2.76 -0.56 -0.88 115.15 116.07 3kko h HIS 107 Ca 0.34 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.42 3kko h HIS 107 Cb 0.43 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 3kko h HIS 107 CO -0.16 -0.10 -0.33 1.96 -1.30 0.00 0.00 177.93 178.00 3kko h GLN 108 N -0.02 0.34 -0.19 5.26 1.08 -0.76 -2.67 115.11 118.16 3kko h GLN 108 Ca 0.10 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3kko h GLN 108 Cb 0.17 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3kko h GLN 108 CO -0.22 0.64 0.10 1.25 -0.95 0.00 0.00 178.83 179.66 3kko h LEU 109 N 0.30 0.23 -0.53 1.46 5.85 -0.30 -1.72 115.31 120.61 3kko h LEU 109 Ca 0.04 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3kko h LEU 109 Cb 0.73 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3kko h LEU 109 CO 0.06 0.25 0.32 0.40 -0.34 0.00 0.00 178.44 179.13 3kko h ILE 110 N 0.19 1.08 -0.32 4.05 2.04 -1.03 0.18 117.51 123.71 3kko h ILE 110 Ca 0.07 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 3kko h ILE 110 Cb 0.07 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3kko h ILE 110 CO -0.01 0.12 -0.26 -0.07 0.00 0.00 0.00 178.15 177.93 3kko h LEU 111 N 0.65 0.65 0.13 1.44 3.38 -1.42 -1.12 115.31 119.02 3kko h LEU 111 Ca 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kko h LEU 111 Cb -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3kko h LEU 111 CO -0.08 0.89 -0.06 -0.09 0.09 0.00 0.00 178.44 179.19 3kko h ARG 112 N 0.55 -0.16 0.00 1.13 2.43 -1.02 0.74 114.38 118.05 3kko h ARG 112 Ca 0.07 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 3kko h ARG 112 Cb 0.74 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3kko h ARG 112 CO 0.06 0.10 -0.31 -0.39 -1.51 0.00 0.00 179.97 177.92 3kko h VAL 113 N -0.42 1.19 -0.00 0.20 -1.51 -0.84 -2.32 116.25 112.54 3kko h VAL 113 Ca -0.02 -1.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 3kko h VAL 113 Cb 0.34 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 3kko h VAL 113 CO 0.03 0.30 -0.45 0.29 -1.23 0.00 0.00 177.57 176.51 3kko n LYS 114 N -4.12 0.46 -3.85 5.19 4.76 -0.43 -4.79 118.16 115.37 3kko n LYS 114 Ca -0.02 -0.30 -0.26 0.00 -2.87 0.00 0.00 58.31 54.86 3kko n LYS 114 Cb 0.36 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 -1.01 -1.52 -4.11 4.39 4.64 0.17 -5.00 116.55 114.11 3kko n ASP 115 Ca 0.08 -0.98 -0.09 0.00 -1.38 0.00 0.00 54.79 52.43 3kko n ASP 115 Cb 0.35 -3.30 -0.10 0.00 -1.04 0.00 0.00 41.12 37.03 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 -6.33 0.83 0.28 -0.67 0.52 -0.73 -5.05 118.95 107.80 3kko s ARG 116 Ca 0.10 -1.34 0.22 0.00 -0.52 0.00 0.00 55.73 54.19 3kko s ARG 116 Cb -0.04 0.24 0.10 0.00 0.52 0.00 0.00 34.95 35.78 3kko s ARG 116 CO 0.87 -0.22 1.23 0.93 0.02 0.00 0.00 175.30 178.13 3kko h GLU 117 N 2.94 0.00 -3.69 3.54 5.08 -1.95 -3.43 114.58 117.07 3kko h GLU 117 Ca -0.35 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.93 3kko h GLU 117 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 3kko h GLU 117 CO 0.61 0.05 -0.33 -1.54 -1.00 0.00 0.00 179.01 176.80 3kko s SER 118 N -5.73 0.05 -0.18 1.42 1.04 -1.26 -5.07 113.70 103.97 3kko s SER 118 Ca 0.02 -0.54 -0.28 0.00 0.48 0.00 0.00 55.95 55.63 3kko s SER 118 Cb 0.08 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.63 3kko s SER 118 CO 0.75 -0.72 0.73 0.12 0.98 0.00 0.00 173.24 175.10 3kko s PHE 119 N -3.62 -0.71 -0.26 5.02 2.19 -1.26 -5.07 117.98 114.27 3kko s PHE 119 Ca 0.03 1.53 -0.39 0.00 0.33 0.00 0.00 56.93 58.43 3kko s PHE 119 Cb 0.03 0.34 -0.15 0.00 -1.31 0.00 0.00 43.02 41.93 3kko s PHE 119 CO -0.10 -0.46 1.78 -2.30 1.83 0.00 0.00 175.22 175.97 3kko n PRO 120 N 1.89 1.32 -3.50 10.12 -0.02 -1.26 -4.93 135.00 138.61 3kko n PRO 120 Ca -0.16 0.48 -0.16 0.00 -2.02 0.00 0.00 63.50 61.65 3kko n PRO 120 Cb 0.56 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 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 3.74 1.06 -0.03 -0.52 0.23 -1.26 -1.62 119.30 120.89 3kko s MET 121 Ca 0.98 0.07 0.03 0.00 -1.03 0.00 0.00 55.69 55.74 3kko s MET 121 Cb -1.01 0.50 0.00 0.00 -1.53 0.00 0.00 34.83 32.79 3kko s MET 121 CO 0.63 -0.37 -0.11 0.42 -2.03 0.00 0.00 175.02 173.56 3kko s ILE 122 N -1.83 0.98 -0.16 3.16 1.01 -0.48 -4.18 121.20 119.70 3kko s ILE 122 Ca -0.07 -0.46 -0.24 0.00 0.00 0.00 0.00 60.65 59.88 3kko s ILE 122 Cb -0.00 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 3kko s ILE 122 CO 0.03 0.30 0.76 -0.22 0.00 0.00 0.00 174.94 175.82 3kko s LEU 123 N 0.22 4.19 -0.23 2.97 2.96 -0.49 -1.10 118.68 127.20 3kko s LEU 123 Ca -0.05 1.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 3kko s LEU 123 Cb -0.10 -3.13 0.03 0.00 0.50 0.00 0.00 46.19 43.49 3kko s LEU 123 CO 0.01 -0.32 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.92 3kko s VAL 124 N 1.85 2.47 -0.55 1.68 1.01 0.25 -1.78 120.40 125.33 3kko s VAL 124 Ca 0.36 -1.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 3kko s VAL 124 Cb -0.17 -2.24 0.12 0.00 0.00 0.00 0.00 36.38 34.09 3kko s VAL 124 CO 0.13 0.25 0.55 0.00 0.00 0.00 0.00 175.10 176.03 3kko s ALA 125 N 1.26 3.57 0.40 5.51 0.00 -0.27 -1.32 121.76 130.92 3kko s ALA 125 Ca -0.00 -2.39 0.03 0.00 0.00 0.00 0.00 51.96 49.59 3kko s ALA 125 Cb -0.16 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3kko s ALA 125 CO -0.07 -2.08 0.59 1.21 0.00 0.00 0.00 175.76 175.40 3kko s ASN 126 N 3.49 5.91 -0.39 0.00 2.47 0.09 -1.25 114.94 125.27 3kko s ASN 126 Ca 0.06 0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.46 3kko s ASN 126 Cb -0.28 -1.45 0.00 0.00 -1.45 0.00 0.00 41.25 38.07 3kko s ASN 126 CO 0.04 -0.57 0.00 0.29 -3.72 0.00 0.00 177.10 173.14 3kko n LYS 127 N -1.89 -0.33 0.00 0.43 5.02 -0.81 -1.21 118.16 119.37 3kko n LYS 127 Ca 0.00 0.33 0.08 0.00 -2.02 0.00 0.00 58.31 56.70 3kko n LYS 127 Cb 0.58 -4.05 0.37 0.00 -0.02 0.00 0.00 35.03 31.91 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 -3.69 0.69 0.27 -0.18 0.24 -1.05 -1.57 118.33 113.04 3kko n VAL 128 Ca -0.05 0.17 0.17 0.00 -2.04 0.00 0.00 64.34 62.59 3kko n VAL 128 Cb 0.43 -0.91 0.64 0.00 -1.47 0.00 0.00 33.84 32.52 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 -0.76 -1.34 2.03 -1.92 -3.32 116.42 111.10 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 0.18 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.61 3kko h ASP 129 CO 0.00 0.00 2.90 0.18 -1.03 0.00 0.00 179.24 181.29 3kko n LEU 130 N -3.09 8.25 -0.23 0.15 4.77 -0.61 -4.75 117.00 121.49 3kko n LEU 130 Ca 0.01 -4.70 0.03 0.00 -0.03 0.00 0.00 56.01 51.31 3kko n LEU 130 Cb 0.33 -1.43 0.15 0.00 -2.33 0.00 0.00 43.42 40.13 3kko n LEU 130 CO 0.28 2.04 1.00 0.24 -1.33 0.00 0.00 177.39 179.62 3kko h MET 131 N 4.78 0.41 0.00 3.23 2.86 -1.84 -1.14 114.93 123.23 3kko h MET 131 Ca 0.75 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.37 3kko h MET 131 Cb 0.31 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3kko h MET 131 CO 1.59 0.27 0.00 0.72 1.06 0.00 0.00 176.91 180.55 3kko n HIS 132 N -5.01 0.00 0.03 -0.22 8.25 -1.26 -2.75 115.22 114.26 3kko n HIS 132 Ca 0.12 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.59 3kko n HIS 132 Cb 0.35 -0.40 0.02 0.00 1.12 0.00 0.00 29.99 31.07 3kko n HIS 132 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kko n LEU 133 N -1.40 1.67 -4.73 2.41 4.77 -0.48 -5.05 117.00 114.18 3kko n LEU 133 Ca 0.08 -1.49 -0.41 0.00 -0.03 0.00 0.00 56.01 54.15 3kko n LEU 133 Cb 0.23 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3kko n LEU 133 CO 0.19 0.41 0.94 -0.60 -1.33 0.00 0.00 177.39 177.00 3kko s ARG 134 N -0.58 4.43 0.00 3.23 3.52 -0.90 -4.50 118.95 124.14 3kko s ARG 134 Ca 0.03 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.58 3kko s ARG 134 Cb 0.02 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 3kko s ARG 134 CO 0.03 -0.20 0.00 1.63 -0.81 0.00 0.00 175.30 175.95 3kko n LYS 135 N 2.85 2.38 -3.85 5.12 4.76 0.11 -4.97 118.16 124.57 3kko n LYS 135 Ca 0.06 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.14 3kko n LYS 135 Cb 0.44 -0.96 -0.12 0.00 -1.84 0.00 0.00 35.03 32.55 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 -1.89 4.48 0.75 -0.18 1.01 -0.78 -5.01 120.40 118.77 3kko s VAL 136 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 3kko s VAL 136 Cb 0.00 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.35 3kko s VAL 136 CO 0.00 0.37 1.08 0.42 0.00 0.00 0.00 175.10 176.97 3kko s THR 137 N 1.25 3.48 0.20 3.92 -4.23 -1.26 -4.90 115.64 114.10 3kko s THR 137 Ca 0.05 0.48 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 3kko s THR 137 Cb -0.14 -3.29 0.13 0.00 1.34 0.00 0.00 72.50 70.54 3kko s THR 137 CO 0.04 -0.63 1.85 -0.09 -0.54 0.00 0.00 174.62 175.25 3kko h ARG 138 N -0.87 0.95 -0.84 3.99 2.43 -1.99 -1.95 114.38 116.10 3kko h ARG 138 Ca -0.46 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3kko h ARG 138 Cb 1.25 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 3kko h ARG 138 CO 0.60 0.66 0.53 -0.44 -1.51 0.00 0.00 179.97 179.80 3kko h ASP 139 N 0.96 0.98 -0.52 -3.80 3.45 -1.99 0.12 116.42 115.62 3kko h ASP 139 Ca 0.26 -0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.66 3kko h ASP 139 Cb -0.06 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.44 3kko h ASP 139 CO -0.05 0.73 0.26 1.56 -1.57 0.00 0.00 179.24 180.17 3kko h GLN 140 N 1.14 0.74 -0.13 3.56 4.20 -1.87 -0.84 115.11 121.91 3kko h GLN 140 Ca 0.30 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3kko h GLN 140 Cb -0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3kko h GLN 140 CO -0.06 0.60 0.02 0.78 -0.67 0.00 0.00 178.83 179.50 3kko h GLY 141 N 0.69 0.23 1.01 3.46 0.00 -0.83 -1.84 103.07 105.79 3kko h GLY 141 Ca 0.18 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.36 3kko h GLY 141 CO -0.02 0.14 0.63 1.70 0.00 0.00 0.00 176.54 178.99 3kko h LYS 142 N -0.01 1.30 -0.27 4.80 1.63 -0.92 -1.60 116.57 121.50 3kko h LYS 142 Ca 0.04 -0.09 0.04 0.00 -0.85 0.00 0.00 60.65 59.79 3kko h LYS 142 Cb 0.29 -0.29 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 3kko h LYS 142 CO 0.00 0.87 0.04 0.93 -3.45 0.00 0.00 179.45 177.85 3kko h GLU 143 N 1.33 0.14 -0.51 1.90 5.08 -1.03 -0.07 114.58 121.41 3kko h GLU 143 Ca 0.36 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3kko h GLU 143 Cb -0.13 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3kko h GLU 143 CO -0.07 0.09 0.32 1.98 -1.00 0.00 0.00 179.01 180.33 3kko h MET 144 N 0.14 0.68 -0.52 2.33 4.05 -0.97 -0.92 114.93 119.73 3kko h MET 144 Ca 0.13 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 3kko h MET 144 Cb 0.14 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 3kko h MET 144 CO -0.17 0.47 0.22 0.00 0.23 0.00 0.00 176.91 177.65 3kko h ALA 145 N 1.17 0.68 -0.42 0.39 0.00 -1.14 -3.06 119.26 116.87 3kko h ALA 145 Ca 0.18 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3kko h ALA 145 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3kko h ALA 145 CO -0.04 0.28 -0.10 1.15 0.00 0.00 0.00 179.25 180.54 3kko h THR 146 N 0.70 1.25 -1.00 0.00 2.02 -0.62 -1.94 112.91 113.32 3kko h THR 146 Ca 0.17 -1.13 0.22 0.00 0.77 0.00 0.00 66.41 66.44 3kko h THR 146 Cb 0.18 1.04 -0.11 0.00 -1.74 0.00 0.00 68.15 67.52 3kko h THR 146 CO -0.02 0.39 0.61 0.50 0.37 0.00 0.00 175.52 177.37 3kko h LYS 147 N 0.67 0.65 -0.10 6.66 3.64 -1.08 -1.47 116.57 125.55 3kko h LYS 147 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3kko h LYS 147 Cb 0.56 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3kko h LYS 147 CO 0.03 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.30 3kko n TYR 148 N -4.81 0.10 -3.58 1.91 4.01 -0.80 -4.96 117.16 109.02 3kko n TYR 148 Ca 0.25 -0.05 -0.23 0.00 -0.16 0.00 0.00 57.90 57.71 3kko n TYR 148 Cb 0.66 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.77 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 0.97 -5.12 -4.28 7.72 5.15 -0.55 -5.02 115.26 114.12 3kko n ASN 149 Ca 0.16 -0.58 -0.19 0.00 -0.60 0.00 0.00 54.58 53.37 3kko n ASN 149 Cb 0.51 -4.96 -0.11 0.00 -0.53 0.00 0.00 39.78 34.69 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 -3.34 1.54 0.86 -1.44 -4.36 -0.81 -5.04 121.20 108.61 3kko s ILE 150 Ca 0.44 -1.82 -0.11 0.00 -0.26 0.00 0.00 60.65 58.90 3kko s ILE 150 Cb -0.20 -1.68 0.11 0.00 1.25 0.00 0.00 42.46 41.95 3kko s ILE 150 CO 0.74 -0.38 1.15 -2.84 0.24 0.00 0.00 174.94 173.85 3kko s PRO 151 N -2.76 1.42 -0.04 0.37 0.02 -1.26 -4.31 135.00 128.44 3kko s PRO 151 Ca 0.12 1.55 0.02 0.00 0.02 0.00 0.00 61.00 62.71 3kko s PRO 151 Cb -0.05 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.71 3kko s PRO 151 CO 0.04 -2.34 -0.09 -0.47 -0.33 0.00 0.00 177.00 173.82 3kko s TYR 152 N -2.54 1.03 -0.04 6.54 5.04 -1.26 -1.39 117.35 124.72 3kko s TYR 152 Ca 0.68 -0.29 -0.07 0.00 -2.44 0.00 0.00 57.07 54.95 3kko s TYR 152 Cb -0.23 -0.76 0.01 0.00 0.35 0.00 0.00 41.96 41.33 3kko s TYR 152 CO 0.55 -0.15 0.18 -1.50 -1.34 0.00 0.00 175.55 173.29 3kko s ILE 153 N 0.39 0.03 -0.13 3.14 2.07 -0.74 -5.00 121.20 120.97 3kko s ILE 153 Ca -0.07 -0.25 -0.06 0.00 -1.41 0.00 0.00 60.65 58.87 3kko s ILE 153 Cb -0.11 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 3kko s ILE 153 CO 0.01 -0.14 0.10 -1.61 -1.91 0.00 0.00 174.94 171.39 3kko s GLU 154 N -0.45 3.46 0.14 3.50 2.02 -1.26 -1.11 118.70 125.00 3kko s GLU 154 Ca -0.05 -0.23 0.03 0.00 0.02 0.00 0.00 54.97 54.74 3kko s GLU 154 Cb -0.04 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 3kko s GLU 154 CO 0.01 0.66 -0.07 0.95 0.02 0.00 0.00 175.26 176.83 3kko s THR 155 N -0.71 0.93 -0.07 3.63 -4.23 -0.38 -4.59 115.64 110.22 3kko s THR 155 Ca 0.13 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.60 3kko s THR 155 Cb -0.12 -1.88 0.04 0.00 1.34 0.00 0.00 72.50 71.88 3kko s THR 155 CO 0.03 -0.71 0.15 -0.55 -0.54 0.00 0.00 174.62 172.99 3kko s SER 156 N -3.14 -0.05 0.22 3.99 0.15 -0.92 -1.92 113.70 112.02 3kko s SER 156 Ca 0.17 0.30 0.25 0.00 0.70 0.00 0.00 55.95 57.37 3kko s SER 156 Cb 0.04 0.19 0.60 0.00 -1.71 0.00 0.00 66.02 65.14 3kko s SER 156 CO 0.00 -0.15 1.62 0.00 1.20 0.00 0.00 173.24 175.90 3kko h ALA 157 N 7.32 0.88 -2.68 5.45 0.00 -1.90 0.02 119.26 128.35 3kko h ALA 157 Ca -0.41 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 53.99 3kko h ALA 157 Cb 1.14 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.97 3kko h ALA 157 CO 0.41 0.00 0.48 0.21 0.00 0.00 0.00 179.25 180.35 3kko s LYS 158 N -3.14 4.04 0.28 0.00 2.20 -1.26 -4.60 119.74 117.26 3kko s LYS 158 Ca 0.09 1.76 -0.29 0.00 -0.36 0.00 0.00 55.97 57.16 3kko s LYS 158 Cb 0.11 -2.62 -0.10 0.00 -1.51 0.00 0.00 37.83 33.72 3kko s LYS 158 CO 0.64 -0.30 1.36 0.34 -0.36 0.00 0.00 175.35 177.03 3kko s ASP 159 N -1.26 6.75 0.02 1.43 -1.08 -1.26 -2.18 116.67 119.10 3kko s ASP 159 Ca 0.58 2.63 -0.30 0.00 -0.52 0.00 0.00 52.55 54.94 3kko s ASP 159 Cb -0.28 -2.63 -0.04 0.00 -1.46 0.00 0.00 42.92 38.51 3kko s ASP 159 CO 0.36 -0.59 1.00 -2.16 0.52 0.00 0.00 175.17 174.29 3kko s PRO 160 N -0.97 4.57 0.50 4.34 0.04 -1.26 -5.10 135.00 137.11 3kko s PRO 160 Ca 0.54 1.46 -0.23 0.00 0.04 0.00 0.00 61.00 62.81 3kko s PRO 160 Cb -0.40 -3.44 -0.06 0.00 0.04 0.00 0.00 34.50 30.64 3kko s PRO 160 CO 0.47 -0.03 1.29 -1.25 0.04 0.00 0.00 177.00 177.52 3kko s PRO 161 N 0.86 3.47 -0.18 0.56 0.04 -0.93 -4.97 135.00 133.85 3kko s PRO 161 Ca 0.52 2.09 -0.02 0.00 0.04 0.00 0.00 61.00 63.63 3kko s PRO 161 Cb -0.22 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 3kko s PRO 161 CO 0.28 -0.88 -0.09 -1.17 0.04 0.00 0.00 177.00 175.18 3kko s LEU 162 N -3.19 2.74 -1.91 -3.56 2.96 -0.01 -4.76 118.68 110.94 3kko s LEU 162 Ca 0.67 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 3kko s LEU 162 Cb -0.36 -1.66 0.00 0.00 0.50 0.00 0.00 46.19 44.66 3kko s LEU 162 CO 0.44 0.05 0.00 0.59 -1.32 0.00 0.00 176.35 176.11 3kko n ASN 163 N 4.31 -5.21 0.19 3.68 3.02 -1.26 -2.18 115.26 117.82 3kko n ASN 163 Ca -0.19 0.33 -0.11 0.00 -0.03 0.00 0.00 54.58 54.58 3kko n ASN 163 Cb 0.51 -4.54 -0.06 0.00 -0.61 0.00 0.00 39.78 35.08 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 0.32 -0.71 2.41 2.07 -1.85 -1.29 116.25 117.20 3kko h VAL 164 Ca -0.41 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3kko h VAL 164 Cb 1.28 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3kko h VAL 164 CO 0.56 0.07 0.42 0.44 0.02 0.00 0.00 177.57 179.08 3kko h ASP 165 N -1.03 0.87 -0.71 0.57 3.45 -1.95 -2.73 116.42 114.89 3kko h ASP 165 Ca -0.06 -0.07 0.05 0.00 0.43 0.00 0.00 57.03 57.38 3kko h ASP 165 Cb 0.53 -0.22 -0.05 0.00 -0.56 0.00 0.00 39.33 39.03 3kko h ASP 165 CO 0.09 0.69 0.42 0.50 -1.57 0.00 0.00 179.24 179.37 3kko h LYS 166 N 0.97 0.76 -0.25 3.56 3.64 -1.96 0.01 116.57 123.31 3kko h LYS 166 Ca 0.25 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3kko h LYS 166 Cb -0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3kko h LYS 166 CO -0.05 0.50 0.16 1.15 -2.27 0.00 0.00 179.45 178.95 3kko h THR 167 N 0.78 1.07 -0.45 1.00 2.02 -0.92 0.45 112.91 116.86 3kko h THR 167 Ca 0.31 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 67.26 3kko h THR 167 Cb 0.14 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3kko h THR 167 CO -0.16 0.07 -0.10 -0.26 0.37 0.00 0.00 175.52 175.43 3kko h PHE 168 N 0.33 0.97 -0.72 3.16 -1.00 -1.34 -1.54 116.94 116.80 3kko h PHE 168 Ca 0.09 -0.20 -0.06 0.00 2.81 0.00 0.00 57.97 60.60 3kko h PHE 168 Cb -0.03 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.26 3kko h PHE 168 CO -0.06 0.96 0.20 0.45 -1.61 0.00 0.00 178.31 178.24 3kko h HIS 169 N 0.70 1.19 -0.43 -0.55 3.86 -0.76 -2.35 115.15 116.81 3kko h HIS 169 Ca 0.12 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 3kko h HIS 169 Cb 0.64 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 3kko h HIS 169 CO 0.05 0.95 0.02 -0.44 0.86 0.00 0.00 177.93 179.38 3kko h ASP 170 N 1.08 0.64 -0.71 2.45 3.45 0.06 0.24 116.42 123.64 3kko h ASP 170 Ca 0.23 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 3kko h ASP 170 Cb 0.35 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.92 3kko h ASP 170 CO -0.00 0.70 0.35 0.25 -1.57 0.00 0.00 179.24 178.97 3kko h LEU 171 N 0.65 0.92 -0.53 1.55 5.85 -0.93 -0.79 115.31 122.03 3kko h LEU 171 Ca 0.14 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3kko h LEU 171 Cb 0.37 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3kko h LEU 171 CO 0.01 0.79 0.25 0.58 -0.34 0.00 0.00 178.44 179.72 3kko h VAL 172 N 0.98 1.20 -0.86 1.05 2.07 -0.88 -0.92 116.25 118.90 3kko h VAL 172 Ca 0.24 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.26 3kko h VAL 172 Cb 0.10 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 3kko h VAL 172 CO -0.03 0.23 0.52 0.03 0.02 0.00 0.00 177.57 178.33 3kko h ARG 173 N 0.71 0.88 -0.26 1.57 3.08 -0.61 0.14 114.38 119.89 3kko h ARG 173 Ca 0.18 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 3kko h ARG 173 Cb 0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3kko h ARG 173 CO -0.02 0.58 0.06 0.28 -1.07 0.00 0.00 179.97 179.80 3kko h VAL 174 N 0.91 1.21 -0.67 2.04 2.07 -0.78 -2.82 116.25 118.21 3kko h VAL 174 Ca 0.39 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3kko h VAL 174 Cb 0.26 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 3kko h VAL 174 CO -0.21 0.23 0.39 0.40 0.02 0.00 0.00 177.57 178.40 3kko h ILE 175 N 0.25 1.02 0.00 4.57 2.04 -0.77 -1.69 117.51 122.93 3kko h ILE 175 Ca 0.08 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3kko h ILE 175 Cb 0.28 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3kko h ILE 175 CO 0.00 0.13 0.00 0.54 0.00 0.00 0.00 178.15 178.83 3kko n ARG 176 N -4.75 0.12 0.18 2.37 1.74 -0.00 -1.03 116.66 115.29 3kko n ARG 176 Ca 0.08 0.54 0.13 0.00 -0.77 0.00 0.00 57.85 57.84 3kko n ARG 176 Cb 0.14 -1.83 0.41 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.06 -3.51 115.11 117.19 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 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3kko h GLN 177 CO 0.00 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 178.92