#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ks1 s TRP 5 N 0.00 2.33 0.00 1.57 1.48 -1.26 -4.84 118.94 118.21 3ks1 s TRP 5 Ca 0.00 1.55 0.00 0.00 -1.06 0.00 0.00 56.10 56.59 3ks1 s TRP 5 Cb 0.00 -3.41 0.00 0.00 -1.16 0.00 0.00 33.47 28.90 3ks1 s TRP 5 CO 0.00 -2.22 0.00 0.41 -4.06 0.00 0.00 176.95 171.08 3ks1 n GLY 6 N 0.25 2.86 0.18 3.67 0.00 0.19 -5.01 105.19 107.31 3ks1 n GLY 6 Ca 0.13 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.78 3ks1 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ks1 n TYR 7 N 0.00 0.00 -2.43 1.61 4.01 -1.26 -3.75 117.16 115.33 3ks1 n TYR 7 Ca 0.00 -0.67 -0.23 0.00 -0.16 0.00 0.00 57.90 56.85 3ks1 n TYR 7 Cb 0.00 -0.11 0.13 0.00 -0.31 0.00 0.00 39.34 39.05 3ks1 n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ks1 n GLY 8 N -0.94 0.21 0.21 2.72 0.00 -1.26 -4.72 105.19 101.40 3ks1 n GLY 8 Ca 0.10 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 44.21 3ks1 n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ks1 h LYS 9 N 0.00 0.00 -0.00 1.61 3.64 -1.97 -0.24 116.57 119.61 3ks1 h LYS 9 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3ks1 h LYS 9 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3ks1 h LYS 9 CO 0.32 0.27 -0.73 0.72 -2.27 0.00 0.00 179.45 177.76 3ks1 n HIS 10 N -4.15 0.00 -1.19 1.91 8.25 -1.26 -4.58 115.22 114.20 3ks1 n HIS 10 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3ks1 n HIS 10 Cb 0.32 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.44 3ks1 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ks1 n ASN 11 N -1.36 0.25 -2.47 0.41 6.94 -1.20 -4.95 115.26 112.87 3ks1 n ASN 11 Ca 0.03 -1.43 -0.07 0.00 -0.02 0.00 0.00 54.58 53.09 3ks1 n ASN 11 Cb 0.24 -0.07 0.05 0.00 -2.36 0.00 0.00 39.78 37.65 3ks1 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ks1 n GLY 12 N -0.09 -1.25 0.40 4.83 0.00 -0.10 -0.64 105.19 108.33 3ks1 n GLY 12 Ca 0.01 -1.67 0.24 0.00 0.00 0.00 0.00 46.02 44.59 3ks1 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ks1 h PRO 13 N 0.00 0.37 0.00 1.61 0.11 -1.84 0.39 132.00 132.65 3ks1 h PRO 13 Ca -0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3ks1 h PRO 13 Cb 0.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3ks1 h PRO 13 CO 0.07 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 178.50 3ks1 n GLU 14 N -4.71 0.11 -0.01 1.05 -0.58 -1.26 -2.57 120.64 112.67 3ks1 n GLU 14 Ca 0.27 0.14 0.11 0.00 -0.42 0.00 0.00 57.16 57.26 3ks1 n GLU 14 Cb 0.93 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 30.15 3ks1 n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ks1 n HIS 15 N -1.42 0.00 0.17 -0.32 8.25 0.14 -4.65 115.22 117.40 3ks1 n HIS 15 Ca 0.07 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.58 3ks1 n HIS 15 Cb 0.20 -0.34 0.50 0.00 1.12 0.00 0.00 29.99 31.47 3ks1 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3ks1 h TRP 16 N 0.00 0.15 -0.02 4.41 6.55 -1.41 -2.37 115.95 123.26 3ks1 h TRP 16 Ca 0.00 -0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.84 3ks1 h TRP 16 Cb 0.84 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 29.09 3ks1 h TRP 16 CO 0.00 0.20 0.02 1.12 -1.05 0.00 0.00 178.44 178.73 3ks1 h HIS 17 N 0.15 0.00 -0.44 0.49 2.07 -1.79 0.15 115.15 115.78 3ks1 h HIS 17 Ca 0.04 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.47 3ks1 h HIS 17 Cb 0.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 3ks1 h HIS 17 CO 0.00 0.00 -0.07 0.87 -3.07 0.00 0.00 177.93 175.66 3ks1 h LYS 18 N 0.00 0.82 0.00 5.12 1.57 -1.78 -2.75 116.57 119.55 3ks1 h LYS 18 Ca 0.01 -0.30 -0.16 0.00 -1.87 0.00 0.00 60.65 58.33 3ks1 h LYS 18 Cb 0.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3ks1 h LYS 18 CO -0.00 0.92 -1.07 -0.44 -0.57 0.00 0.00 179.45 178.29 3ks1 h ASP 19 N 0.65 0.00 -2.72 0.86 3.32 -1.61 -3.42 116.42 113.50 3ks1 h ASP 19 Ca 0.11 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.57 3ks1 h ASP 19 Cb 0.60 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.76 3ks1 h ASP 19 CO 0.04 0.63 -0.85 -0.36 -1.72 0.00 0.00 179.24 176.98 3ks1 s PHE 20 N -2.89 1.57 0.62 4.55 0.08 -0.01 -4.99 117.98 116.91 3ks1 s PHE 20 Ca -0.00 -2.37 0.34 0.00 0.12 0.00 0.00 56.93 55.01 3ks1 s PHE 20 Cb 0.08 -1.37 1.92 0.00 -0.57 0.00 0.00 43.02 43.09 3ks1 s PHE 20 CO 0.79 -0.78 2.20 -1.35 -0.10 0.00 0.00 175.22 175.98 3ks1 h PRO 21 N 6.05 0.00 0.00 0.24 0.11 -1.74 0.26 132.00 136.92 3ks1 h PRO 21 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3ks1 h PRO 21 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3ks1 h PRO 21 CO 0.42 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.18 3ks1 h ILE 22 N 0.00 0.00 -0.80 4.15 6.09 -1.89 -2.16 117.51 122.90 3ks1 h ILE 22 Ca 0.03 -0.01 0.23 0.00 -1.37 0.00 0.00 64.86 63.74 3ks1 h ILE 22 Cb 0.25 0.53 -0.03 0.00 0.47 0.00 0.00 36.82 38.04 3ks1 h ILE 22 CO -0.00 0.00 0.61 0.00 -3.07 0.00 0.00 178.15 175.69 3ks1 h ALA 23 N 2.01 2.71 -0.62 0.18 0.00 -1.25 0.70 119.26 122.99 3ks1 h ALA 23 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3ks1 h ALA 23 Cb 0.02 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 3ks1 h ALA 23 CO 0.00 -1.02 0.17 1.63 0.00 0.00 0.00 179.25 180.03 3ks1 n LYS 24 N -4.16 3.61 -0.63 0.00 5.02 -0.81 -4.96 118.16 116.23 3ks1 n LYS 24 Ca 0.16 -3.08 -0.12 0.00 -2.02 0.00 0.00 58.31 53.25 3ks1 n LYS 24 Cb 0.90 -2.14 0.10 0.00 -0.02 0.00 0.00 35.03 33.87 3ks1 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ks1 n GLY 25 N -0.20 -1.88 0.02 0.72 0.00 0.24 -4.99 105.19 99.10 3ks1 n GLY 25 Ca 0.36 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.91 3ks1 n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ks1 n GLU 26 N -2.51 0.10 -2.95 1.61 -0.58 -1.26 -4.30 120.64 110.74 3ks1 n GLU 26 Ca 0.07 0.02 -0.15 0.00 -0.42 0.00 0.00 57.16 56.67 3ks1 n GLU 26 Cb 0.24 -1.55 -0.01 0.00 -0.57 0.00 0.00 31.44 29.56 3ks1 n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3ks1 n ARG 27 N -1.68 1.24 -3.18 3.49 1.85 -1.26 -4.53 116.66 112.59 3ks1 n ARG 27 Ca 0.04 -3.45 -0.35 0.00 -1.00 0.00 0.00 57.85 53.09 3ks1 n ARG 27 Cb 0.37 -1.58 -0.06 0.00 -1.05 0.00 0.00 32.46 30.14 3ks1 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3ks1 s GLN 28 N -2.79 4.13 0.23 2.89 -1.52 -1.26 -2.64 119.66 118.70 3ks1 s GLN 28 Ca 0.36 0.73 0.11 0.00 -1.95 0.00 0.00 55.36 54.60 3ks1 s GLN 28 Cb 0.39 -2.81 -0.05 0.00 -0.22 0.00 0.00 33.01 30.32 3ks1 s GLN 28 CO -0.04 0.37 -0.20 -1.12 -0.25 0.00 0.00 175.29 174.05 3ks1 s SER 29 N -1.79 3.31 0.99 5.90 0.01 -1.26 -4.62 113.70 116.25 3ks1 s SER 29 Ca 0.44 -0.97 -0.16 0.00 1.31 0.00 0.00 55.95 56.57 3ks1 s SER 29 Cb -0.15 -0.25 0.22 0.00 0.21 0.00 0.00 66.02 66.04 3ks1 s SER 29 CO 0.20 0.03 1.28 -0.81 0.41 0.00 0.00 173.24 174.35 3ks1 n PRO 30 N -0.26 -1.22 -4.15 12.44 -0.04 -1.26 -4.48 135.00 136.02 3ks1 n PRO 30 Ca -0.08 -2.02 -0.11 0.00 -0.04 0.00 0.00 63.50 61.25 3ks1 n PRO 30 Cb 0.59 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.64 3ks1 n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ks1 s VAL 31 N -3.79 0.68 0.14 0.52 -7.23 -1.26 -0.24 120.40 109.23 3ks1 s VAL 31 Ca 0.73 -1.79 -0.30 0.00 -1.81 0.00 0.00 61.98 58.81 3ks1 s VAL 31 Cb -0.02 -1.50 -0.07 0.00 0.56 0.00 0.00 36.38 35.35 3ks1 s VAL 31 CO 0.51 -0.78 1.25 -0.62 -0.31 0.00 0.00 175.10 175.15 3ks1 s ASP 32 N -2.79 7.01 -0.52 4.85 2.15 -1.26 -3.06 116.67 123.05 3ks1 s ASP 32 Ca 0.08 2.21 -0.18 0.00 0.43 0.00 0.00 52.55 55.09 3ks1 s ASP 32 Cb 0.02 -2.60 0.07 0.00 -0.30 0.00 0.00 42.92 40.12 3ks1 s ASP 32 CO -0.04 -0.47 0.61 -0.63 -0.17 0.00 0.00 175.17 174.47 3ks1 s ILE 33 N 0.48 4.92 -0.59 4.11 1.01 1.00 -4.93 121.20 127.20 3ks1 s ILE 33 Ca 0.57 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 60.24 3ks1 s ILE 33 Cb -0.33 -4.33 0.04 0.00 0.01 0.00 0.00 42.46 37.85 3ks1 s ILE 33 CO 0.34 -0.86 1.08 -0.62 0.00 0.00 0.00 174.94 174.87 3ks1 s ASP 34 N 2.94 6.35 0.51 3.58 -1.08 -1.26 -0.52 116.67 127.20 3ks1 s ASP 34 Ca 0.12 -0.23 0.30 0.00 -0.52 0.00 0.00 52.55 52.23 3ks1 s ASP 34 Cb -0.21 -2.49 1.29 0.00 -1.46 0.00 0.00 42.92 40.04 3ks1 s ASP 34 CO 0.09 -1.40 1.97 0.71 0.52 0.00 0.00 175.17 177.06 3ks1 h THR 35 N 6.07 0.30 0.00 1.71 1.35 -1.95 -1.78 112.91 118.62 3ks1 h THR 35 Ca -0.26 -0.70 -0.05 0.00 -0.55 0.00 0.00 66.41 64.85 3ks1 h THR 35 Cb 1.06 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 3ks1 h THR 35 CO 1.15 0.10 -0.75 0.45 -0.25 0.00 0.00 175.52 176.22 3ks1 h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.28 115.15 118.43 3ks1 h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ks1 h HIS 36 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3ks1 h HIS 36 CO 0.00 0.18 -1.19 2.41 0.86 0.00 0.00 177.93 180.19 3ks1 n THR 37 N -2.91 0.32 -1.89 2.45 -1.04 -0.93 -4.90 114.28 105.38 3ks1 n THR 37 Ca -0.01 -0.41 -0.41 0.00 -2.04 0.00 0.00 64.05 61.18 3ks1 n THR 37 Cb 0.63 -0.06 -0.02 0.00 -1.82 0.00 0.00 70.33 69.06 3ks1 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ks1 s ALA 38 N -3.32 3.67 -0.19 2.41 0.00 -0.72 -4.86 121.76 118.75 3ks1 s ALA 38 Ca -0.00 1.46 -0.10 0.00 0.00 0.00 0.00 51.96 53.32 3ks1 s ALA 38 Cb 0.12 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3ks1 s ALA 38 CO 0.81 -0.88 0.14 0.21 0.00 0.00 0.00 175.76 176.05 3ks1 s LYS 39 N -0.62 4.17 0.22 0.00 2.20 -0.80 -4.81 119.74 120.09 3ks1 s LYS 39 Ca 0.60 -0.19 -0.31 0.00 -0.36 0.00 0.00 55.97 55.71 3ks1 s LYS 39 Cb -0.45 -3.41 -0.11 0.00 -1.51 0.00 0.00 37.83 32.35 3ks1 s LYS 39 CO 0.47 0.31 1.60 -0.47 -0.36 0.00 0.00 175.35 176.91 3ks1 s TYR 40 N 0.33 2.95 -0.30 4.03 5.04 -1.26 -0.47 117.35 127.66 3ks1 s TYR 40 Ca 0.09 0.63 0.03 0.00 -2.44 0.00 0.00 57.07 55.37 3ks1 s TYR 40 Cb -0.11 -4.01 0.09 0.00 0.35 0.00 0.00 41.96 38.28 3ks1 s TYR 40 CO -0.01 -3.62 0.01 0.34 -1.34 0.00 0.00 175.55 170.93 3ks1 s ASP 41 N 0.91 4.43 0.50 4.32 -1.08 -0.45 -4.86 116.67 120.45 3ks1 s ASP 41 Ca 0.69 -1.77 0.34 0.00 -0.52 0.00 0.00 52.55 51.29 3ks1 s ASP 41 Cb -0.46 -1.42 1.61 0.00 -1.46 0.00 0.00 42.92 41.19 3ks1 s ASP 41 CO 0.36 -0.33 2.01 -0.65 0.52 0.00 0.00 175.17 177.09 3ks1 h PRO 42 N 7.77 0.00 0.00 4.34 0.11 -1.93 -2.36 132.00 139.94 3ks1 h PRO 42 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3ks1 h PRO 42 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3ks1 h PRO 42 CO 0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 3ks1 n SER 43 N -2.80 0.00 -4.69 -2.05 3.41 -1.26 -4.80 113.62 101.44 3ks1 n SER 43 Ca -0.01 0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 3ks1 n SER 43 Cb 0.17 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 3ks1 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ks1 s LEU 44 N -2.69 4.29 0.70 1.04 1.43 -0.89 -5.02 118.68 117.54 3ks1 s LEU 44 Ca 0.24 1.95 -0.11 0.00 -1.03 0.00 0.00 54.13 55.18 3ks1 s LEU 44 Cb 0.19 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.87 3ks1 s LEU 44 CO 0.46 -0.66 1.07 -0.54 0.23 0.00 0.00 176.35 176.91 3ks1 s LYS 45 N 2.38 2.85 0.64 1.70 3.01 -1.21 -4.94 119.74 124.16 3ks1 s LYS 45 Ca 0.60 1.02 -0.18 0.00 -1.01 0.00 0.00 55.97 56.39 3ks1 s LYS 45 Cb -0.28 -1.98 -0.01 0.00 -1.01 0.00 0.00 37.83 34.55 3ks1 s LYS 45 CO 0.24 -1.17 1.27 -2.14 0.51 0.00 0.00 175.35 174.06 3ks1 s PRO 46 N -4.94 2.63 0.13 -1.68 0.02 -1.26 -2.72 135.00 127.17 3ks1 s PRO 46 Ca 0.59 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 63.32 3ks1 s PRO 46 Cb -0.15 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.44 3ks1 s PRO 46 CO 0.54 -1.53 1.18 -1.17 -0.33 0.00 0.00 177.00 175.69 3ks1 s LEU 47 N -4.33 4.42 -0.32 -5.54 2.96 -1.26 -1.82 118.68 112.79 3ks1 s LEU 47 Ca 0.81 2.11 -0.09 0.00 -0.22 0.00 0.00 54.13 56.74 3ks1 s LEU 47 Cb -0.36 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.74 3ks1 s LEU 47 CO 0.38 -0.38 0.15 -0.55 -1.32 0.00 0.00 176.35 174.63 3ks1 s SER 48 N 0.48 5.50 -0.25 3.68 0.15 0.11 -4.91 113.70 118.46 3ks1 s SER 48 Ca 0.55 -0.66 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 3ks1 s SER 48 Cb -0.30 -1.98 0.03 0.00 -1.71 0.00 0.00 66.02 62.06 3ks1 s SER 48 CO 0.33 -0.23 -0.07 -0.69 1.20 0.00 0.00 173.24 173.78 3ks1 s VAL 49 N 1.58 2.75 -0.57 4.45 1.01 -1.26 -1.52 120.40 126.83 3ks1 s VAL 49 Ca 0.04 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.88 3ks1 s VAL 49 Cb -0.17 -2.43 0.15 0.00 0.00 0.00 0.00 36.38 33.92 3ks1 s VAL 49 CO 0.06 0.16 0.35 -0.44 0.00 0.00 0.00 175.10 175.22 3ks1 s SER 50 N 1.29 4.78 -0.03 3.32 0.01 -0.00 -4.90 113.70 118.16 3ks1 s SER 50 Ca -0.01 -2.93 0.14 0.00 1.31 0.00 0.00 55.95 54.46 3ks1 s SER 50 Cb -0.17 -1.75 0.41 0.00 0.21 0.00 0.00 66.02 64.72 3ks1 s SER 50 CO -0.05 -0.30 1.34 -1.22 0.41 0.00 0.00 173.24 173.42 3ks1 n TYR 51 N 3.31 0.66 0.01 2.43 4.01 -1.26 -1.25 117.16 125.07 3ks1 n TYR 51 Ca 0.06 -0.55 0.09 0.00 -0.16 0.00 0.00 57.90 57.35 3ks1 n TYR 51 Cb 0.35 -0.07 0.51 0.00 -0.31 0.00 0.00 39.34 39.82 3ks1 n TYR 51 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3ks1 h ASP 52 N 2.48 0.31 -0.33 7.72 3.58 -1.98 -2.48 116.42 125.72 3ks1 h ASP 52 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3ks1 h ASP 52 Cb 0.90 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.88 3ks1 h ASP 52 CO 0.04 0.21 0.00 0.00 -2.88 0.00 0.00 179.24 176.61 3ks1 n GLN 53 N -4.48 2.93 -1.71 0.28 1.13 -1.26 -5.02 117.38 109.25 3ks1 n GLN 53 Ca 0.05 -2.37 -0.43 0.00 -1.94 0.00 0.00 57.00 52.31 3ks1 n GLN 53 Cb 0.23 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 3ks1 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ks1 n ALA 54 N 0.18 1.83 -3.80 -1.58 0.00 -0.94 -4.60 120.51 111.60 3ks1 n ALA 54 Ca 0.16 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.69 3ks1 n ALA 54 Cb 0.61 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 17.54 3ks1 n ALA 54 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ks1 s THR 55 N -0.19 1.07 0.56 0.00 -1.32 -1.26 -4.88 115.64 109.62 3ks1 s THR 55 Ca 0.64 -1.30 -0.18 0.00 -1.21 0.00 0.00 61.69 59.65 3ks1 s THR 55 Cb -0.56 -1.67 -0.05 0.00 -1.51 0.00 0.00 72.50 68.70 3ks1 s THR 55 CO 0.51 -0.47 1.06 -0.94 -2.21 0.00 0.00 174.62 172.58 3ks1 s SER 56 N 1.55 5.90 -0.01 8.08 1.04 -1.26 -0.89 113.70 128.11 3ks1 s SER 56 Ca 0.05 1.91 -0.02 0.00 0.48 0.00 0.00 55.95 58.37 3ks1 s SER 56 Cb -0.18 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.38 3ks1 s SER 56 CO -0.17 -1.09 -0.05 0.18 0.98 0.00 0.00 173.24 173.09 3ks1 n LEU 57 N -1.64 0.58 -3.91 2.42 4.77 0.62 -4.20 117.00 115.64 3ks1 n LEU 57 Ca 0.09 0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3ks1 n LEU 57 Cb 0.52 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 3ks1 n LEU 57 CO 0.44 -0.15 -0.05 -0.13 -1.33 0.00 0.00 177.39 176.17 3ks1 s ARG 58 N -2.09 1.02 -0.00 3.23 0.52 -1.09 -1.50 118.95 119.04 3ks1 s ARG 58 Ca -0.05 -1.08 0.07 0.00 -0.52 0.00 0.00 55.73 54.15 3ks1 s ARG 58 Cb 0.02 0.36 -0.02 0.00 0.52 0.00 0.00 34.95 35.83 3ks1 s ARG 58 CO 0.07 -0.36 -0.23 -1.50 0.02 0.00 0.00 175.30 173.31 3ks1 s ILE 59 N -3.92 1.79 -0.04 1.52 2.07 -0.38 -0.56 121.20 121.68 3ks1 s ILE 59 Ca 0.12 -1.04 -0.03 0.00 -1.41 0.00 0.00 60.65 58.29 3ks1 s ILE 59 Cb 0.04 -1.50 0.02 0.00 0.13 0.00 0.00 42.46 41.14 3ks1 s ILE 59 CO -0.05 0.44 0.10 -0.22 -1.91 0.00 0.00 174.94 173.30 3ks1 s LEU 60 N -0.71 1.45 -0.42 8.50 2.96 -0.33 -1.02 118.68 129.11 3ks1 s LEU 60 Ca 0.09 0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 54.05 3ks1 s LEU 60 Cb -0.09 0.31 0.03 0.00 0.50 0.00 0.00 46.19 46.94 3ks1 s LEU 60 CO -0.00 -0.06 0.35 0.21 -1.32 0.00 0.00 176.35 175.53 3ks1 s ASN 61 N 0.30 6.13 0.00 3.68 3.84 0.04 -0.70 114.94 128.23 3ks1 s ASN 61 Ca -0.02 -0.92 0.21 0.00 0.21 0.00 0.00 52.86 52.34 3ks1 s ASN 61 Cb -0.03 -2.18 0.53 0.00 -0.55 0.00 0.00 41.25 39.02 3ks1 s ASN 61 CO -0.01 -0.51 1.45 -0.46 -2.79 0.00 0.00 177.10 174.78 3ks1 n ASN 62 N 5.27 3.12 0.00 -4.21 0.23 -0.94 -0.29 115.26 118.44 3ks1 n ASN 62 Ca -0.10 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 3ks1 n ASN 62 Cb 0.47 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 3ks1 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ks1 n GLY 63 N 1.44 2.06 0.00 4.83 0.00 -1.26 -4.77 105.19 107.48 3ks1 n GLY 63 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3ks1 n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ks1 n HIS 64 N -2.00 0.00 -3.65 1.61 -0.00 -1.26 -4.69 115.22 105.23 3ks1 n HIS 64 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 3ks1 n HIS 64 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 3ks1 n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ks1 n ALA 65 N -0.88 -1.41 -2.80 1.59 0.00 -1.26 -4.88 120.51 110.87 3ks1 n ALA 65 Ca 0.00 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 3ks1 n ALA 65 Cb 0.00 0.34 -0.13 0.00 0.00 0.00 0.00 19.45 19.66 3ks1 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ks1 s PHE 66 N -4.05 2.80 -0.16 0.00 -0.71 -1.26 -2.22 117.98 112.38 3ks1 s PHE 66 Ca 0.12 -0.37 -0.05 0.00 -1.04 0.00 0.00 56.93 55.59 3ks1 s PHE 66 Cb -0.02 -1.76 -0.03 0.00 -1.21 0.00 0.00 43.02 40.00 3ks1 s PHE 66 CO 0.03 0.00 0.01 -0.80 -1.34 0.00 0.00 175.22 173.13 3ks1 s ASN 67 N -0.16 5.18 -0.34 1.98 -0.87 0.12 -4.23 114.94 116.61 3ks1 s ASN 67 Ca 0.00 -0.03 -0.18 0.00 -1.57 0.00 0.00 52.86 51.09 3ks1 s ASN 67 Cb -0.13 -1.85 -0.01 0.00 -0.02 0.00 0.00 41.25 39.24 3ks1 s ASN 67 CO 0.03 0.18 0.49 -0.69 -2.57 0.00 0.00 177.10 174.54 3ks1 s VAL 68 N 0.32 5.04 -0.12 1.60 1.01 0.23 -1.18 120.40 127.30 3ks1 s VAL 68 Ca -0.01 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 3ks1 s VAL 68 Cb -0.13 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3ks1 s VAL 68 CO 0.02 -0.18 0.08 -1.61 0.00 0.00 0.00 175.10 173.41 3ks1 s GLU 69 N 2.33 3.40 0.17 2.72 2.02 0.28 -1.49 118.70 128.14 3ks1 s GLU 69 Ca 0.18 -0.26 0.07 0.00 0.02 0.00 0.00 54.97 54.98 3ks1 s GLU 69 Cb -0.16 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 3ks1 s GLU 69 CO 0.13 0.66 0.01 -0.06 0.02 0.00 0.00 175.26 176.02 3ks1 s PHE 70 N -0.71 2.88 -0.61 1.61 0.40 -0.14 -0.28 117.98 121.13 3ks1 s PHE 70 Ca 0.12 -0.12 -0.28 0.00 -0.60 0.00 0.00 56.93 56.05 3ks1 s PHE 70 Cb -0.12 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 42.04 3ks1 s PHE 70 CO 0.03 0.52 1.33 0.34 0.70 0.00 0.00 175.22 178.13 3ks1 s ASP 71 N -2.94 6.21 -0.37 1.36 2.15 -0.07 -4.82 116.67 118.19 3ks1 s ASP 71 Ca 0.28 0.04 0.06 0.00 0.43 0.00 0.00 52.55 53.37 3ks1 s ASP 71 Cb -0.09 -2.55 0.60 0.00 -0.30 0.00 0.00 42.92 40.57 3ks1 s ASP 71 CO 0.19 -1.69 1.71 -0.90 -0.17 0.00 0.00 175.17 174.31 3ks1 n ASP 72 N 9.28 3.20 -0.04 -0.34 5.75 -1.26 -4.56 116.55 128.58 3ks1 n ASP 72 Ca 0.09 -3.68 0.13 0.00 -0.01 0.00 0.00 54.79 51.32 3ks1 n ASP 72 Cb 0.49 -0.74 0.44 0.00 -1.03 0.00 0.00 41.12 40.28 3ks1 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3ks1 n SER 73 N -1.11 0.38 -4.25 -1.12 3.41 -1.26 -4.86 113.62 104.81 3ks1 n SER 73 Ca 0.47 -0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.81 3ks1 n SER 73 Cb 1.38 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 65.18 3ks1 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ks1 s GLN 74 N -2.87 1.17 -0.97 4.33 -0.21 -1.26 -5.04 119.66 114.81 3ks1 s GLN 74 Ca 0.16 -1.59 -0.20 0.00 0.02 0.00 0.00 55.36 53.75 3ks1 s GLN 74 Cb 0.19 -0.21 -0.10 0.00 1.00 0.00 0.00 33.01 33.88 3ks1 s GLN 74 CO 0.59 -0.19 1.99 -3.47 -2.12 0.00 0.00 175.29 172.10 3ks1 n ASP 75 N -0.29 2.93 -4.44 5.90 -0.08 -1.26 -4.84 116.55 114.48 3ks1 n ASP 75 Ca -0.05 -2.72 -0.27 0.00 -1.51 0.00 0.00 54.79 50.24 3ks1 n ASP 75 Cb 0.64 -1.30 -0.12 0.00 2.34 0.00 0.00 41.12 42.69 3ks1 n ASP 75 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3ks1 s LYS 76 N 4.66 1.59 -0.33 -0.67 1.02 -1.26 -4.92 119.74 119.83 3ks1 s LYS 76 Ca 0.56 -1.44 -0.13 0.00 0.02 0.00 0.00 55.97 54.98 3ks1 s LYS 76 Cb 0.13 -1.92 0.02 0.00 -0.52 0.00 0.00 37.83 35.54 3ks1 s LYS 76 CO 0.07 0.42 0.33 0.00 -0.92 0.00 0.00 175.35 175.25 3ks1 n ALA 77 N 0.38 -2.86 -2.48 5.17 0.00 -1.20 -4.45 120.51 115.07 3ks1 n ALA 77 Ca -0.13 0.62 -0.20 0.00 0.00 0.00 0.00 53.44 53.73 3ks1 n ALA 77 Cb 0.55 -2.11 -0.11 0.00 0.00 0.00 0.00 19.45 17.78 3ks1 n ALA 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ks1 s VAL 78 N -1.83 1.54 -0.08 0.00 -7.23 -0.38 -1.40 120.40 111.02 3ks1 s VAL 78 Ca 0.16 -1.79 0.04 0.00 -1.81 0.00 0.00 61.98 58.58 3ks1 s VAL 78 Cb -0.03 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 3ks1 s VAL 78 CO 0.67 -0.36 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.67 3ks1 s LEU 79 N -2.51 2.30 0.00 1.32 2.96 0.08 -0.82 118.68 122.00 3ks1 s LEU 79 Ca 0.11 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 3ks1 s LEU 79 Cb -0.05 -1.45 0.03 0.00 0.50 0.00 0.00 46.19 45.21 3ks1 s LEU 79 CO 0.04 0.23 0.63 2.29 -1.32 0.00 0.00 176.35 178.22 3ks1 n LYS 80 N 3.09 0.91 0.00 1.98 2.85 -0.57 -1.50 118.16 124.92 3ks1 n LYS 80 Ca -0.18 -2.59 0.00 0.00 -1.05 0.00 0.00 58.31 54.49 3ks1 n LYS 80 Cb 0.52 2.78 0.00 0.00 -0.65 0.00 0.00 35.03 37.69 3ks1 n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ks1 n GLY 81 N -0.57 -0.72 7.00 2.58 0.00 -1.26 -0.71 105.19 111.51 3ks1 n GLY 81 Ca -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3ks1 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks1 n GLY 82 N 0.00 3.41 0.09 -0.02 0.00 -0.76 -1.67 105.19 106.24 3ks1 n GLY 82 Ca 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.03 3ks1 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ks1 n PRO 83 N 13.84 0.73 -3.29 1.61 -0.04 -1.26 -3.32 135.00 143.27 3ks1 n PRO 83 Ca 0.00 -0.18 -0.33 0.00 -0.04 0.00 0.00 63.50 62.96 3ks1 n PRO 83 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3ks1 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ks1 s LEU 84 N -2.40 4.15 -0.18 1.53 1.43 -0.67 -5.08 118.68 117.46 3ks1 s LEU 84 Ca 0.32 1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 54.47 3ks1 s LEU 84 Cb 0.20 -3.79 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 3ks1 s LEU 84 CO 0.45 -0.10 -0.02 -1.81 0.23 0.00 0.00 176.35 175.10 3ks1 s ASP 85 N -2.23 4.75 0.00 2.29 1.01 -1.26 -4.38 116.67 116.85 3ks1 s ASP 85 Ca 0.49 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.55 3ks1 s ASP 85 Cb -0.11 -1.80 0.00 0.00 1.01 0.00 0.00 42.92 42.02 3ks1 s ASP 85 CO 0.20 0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.28 3ks1 n GLY 86 N 4.01 -1.66 3.28 0.21 0.00 -1.26 -4.95 105.19 104.81 3ks1 n GLY 86 Ca -0.17 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 3ks1 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ks1 s THR 87 N 0.00 2.04 -0.09 2.61 2.01 -1.26 -4.49 115.64 116.45 3ks1 s THR 87 Ca 0.00 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 60.96 3ks1 s THR 87 Cb 0.00 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.80 3ks1 s THR 87 CO 0.00 0.57 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.99 3ks1 s TYR 88 N -0.31 2.19 -0.05 4.92 1.51 -0.56 -1.32 117.35 123.74 3ks1 s TYR 88 Ca 0.01 -0.91 -0.16 0.00 -1.01 0.00 0.00 57.07 54.99 3ks1 s TYR 88 Cb -0.12 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.17 3ks1 s TYR 88 CO 0.02 -0.40 0.43 1.03 -1.11 0.00 0.00 175.55 175.52 3ks1 s ARG 89 N 0.54 4.10 0.20 -0.62 0.52 0.41 -0.74 118.95 123.35 3ks1 s ARG 89 Ca -0.15 0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 55.17 3ks1 s ARG 89 Cb -0.17 -3.31 -0.09 0.00 0.52 0.00 0.00 34.95 31.90 3ks1 s ARG 89 CO 0.05 0.48 1.41 -1.17 0.02 0.00 0.00 175.30 176.09 3ks1 s LEU 90 N -0.41 4.39 -0.01 2.53 2.96 -0.50 -0.66 118.68 126.98 3ks1 s LEU 90 Ca 0.24 2.51 0.01 0.00 -0.22 0.00 0.00 54.13 56.67 3ks1 s LEU 90 Cb -0.16 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 3ks1 s LEU 90 CO 0.12 -0.65 -0.01 0.00 -1.32 0.00 0.00 176.35 174.49 3ks1 n ILE 91 N 2.95 0.09 -3.52 6.68 3.06 -0.26 -4.56 119.36 123.81 3ks1 n ILE 91 Ca 0.08 -0.04 -0.08 0.00 -2.50 0.00 0.00 62.75 60.21 3ks1 n ILE 91 Cb 0.41 -0.74 -0.02 0.00 0.54 0.00 0.00 39.64 39.84 3ks1 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ks1 s GLN 92 N -2.03 0.86 0.10 9.51 1.03 -1.20 -0.96 119.66 126.96 3ks1 s GLN 92 Ca -0.02 -0.33 0.05 0.00 0.04 0.00 0.00 55.36 55.10 3ks1 s GLN 92 Cb 0.00 0.39 -0.04 0.00 0.03 0.00 0.00 33.01 33.39 3ks1 s GLN 92 CO 0.04 -0.38 -0.12 -0.59 -2.54 0.00 0.00 175.29 171.71 3ks1 s PHE 93 N -3.15 1.19 0.31 9.60 -0.12 -0.56 -0.50 117.98 124.77 3ks1 s PHE 93 Ca 0.05 -0.60 -0.13 0.00 -0.05 0.00 0.00 56.93 56.20 3ks1 s PHE 93 Cb -0.01 -0.64 0.02 0.00 -0.63 0.00 0.00 43.02 41.76 3ks1 s PHE 93 CO -0.08 0.06 0.62 -3.38 -0.05 0.00 0.00 175.22 172.38 3ks1 s HIS 94 N -2.21 0.31 0.24 3.49 -3.43 -1.01 -0.60 115.29 112.08 3ks1 s HIS 94 Ca 0.06 -0.76 0.08 0.00 -0.80 0.00 0.00 55.06 53.64 3ks1 s HIS 94 Cb -0.04 0.43 -0.05 0.00 -1.43 0.00 0.00 32.58 31.49 3ks1 s HIS 94 CO 0.01 -1.24 -0.12 -0.06 -2.00 0.00 0.00 174.74 171.34 3ks1 s PHE 95 N -3.33 1.86 -0.04 0.38 0.40 -1.26 -0.63 117.98 115.36 3ks1 s PHE 95 Ca 0.20 -0.60 0.05 0.00 -0.60 0.00 0.00 56.93 55.98 3ks1 s PHE 95 Cb -0.03 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.56 3ks1 s PHE 95 CO 0.11 0.37 -0.20 -1.01 0.70 0.00 0.00 175.22 175.19 3ks1 s HIS 96 N -2.94 1.88 0.23 0.36 3.76 -0.20 -4.75 115.29 113.64 3ks1 s HIS 96 Ca 0.26 -0.48 -0.05 0.00 -0.15 0.00 0.00 55.06 54.63 3ks1 s HIS 96 Cb 0.01 -1.24 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 3ks1 s HIS 96 CO 0.10 -0.13 0.29 1.67 -0.85 0.00 0.00 174.74 175.82 3ks1 s TRP 97 N -0.17 0.87 0.56 1.40 -2.14 -1.23 -1.04 118.94 117.20 3ks1 s TRP 97 Ca 0.00 -1.14 0.06 0.00 2.66 0.00 0.00 56.10 57.68 3ks1 s TRP 97 Cb -0.11 -0.25 0.05 0.00 -3.10 0.00 0.00 33.47 30.07 3ks1 s TRP 97 CO 0.01 -0.82 0.48 0.20 -2.66 0.00 0.00 176.95 174.16 3ks1 s GLY 98 N -3.12 2.28 0.09 3.67 0.00 -1.19 -0.48 107.32 108.58 3ks1 s GLY 98 Ca 0.32 -1.34 0.26 0.00 0.00 0.00 0.00 44.72 43.96 3ks1 s GLY 98 CO 0.12 -1.92 1.61 -1.14 0.00 0.00 0.00 173.10 171.77 3ks1 n SER 99 N -1.88 0.52 -3.97 1.64 3.41 -1.26 -4.23 113.62 107.85 3ks1 n SER 99 Ca 0.01 0.26 -0.09 0.00 -0.26 0.00 0.00 58.87 58.79 3ks1 n SER 99 Cb 0.64 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 3ks1 n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ks1 s LEU 100 N -3.76 2.01 0.51 1.04 1.43 -1.26 -5.05 118.68 113.59 3ks1 s LEU 100 Ca 0.10 -0.66 0.19 0.00 -1.03 0.00 0.00 54.13 52.73 3ks1 s LEU 100 Cb 0.15 0.46 1.30 0.00 0.03 0.00 0.00 46.19 48.13 3ks1 s LEU 100 CO 0.64 -0.52 2.11 0.44 0.23 0.00 0.00 176.35 179.24 3ks1 h ASP 101 N 3.59 0.00 0.00 2.29 3.32 -1.91 -2.69 116.42 121.02 3ks1 h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3ks1 h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3ks1 h ASP 101 CO 0.54 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 3ks1 n GLY 102 N -1.22 -0.92 3.42 2.75 0.00 -1.26 -3.24 105.19 104.71 3ks1 n GLY 102 Ca -0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 3ks1 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ks1 s GLN 103 N -2.00 1.23 0.00 1.61 -2.07 -1.01 -4.71 119.66 112.71 3ks1 s GLN 103 Ca 0.16 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 53.02 3ks1 s GLN 103 Cb 0.07 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 3ks1 s GLN 103 CO 0.12 -0.52 0.00 0.41 -1.32 0.00 0.00 175.29 173.99 3ks1 n GLY 104 N -0.31 2.75 3.80 2.60 0.00 -1.12 -3.14 105.19 109.77 3ks1 n GLY 104 Ca -0.14 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 3ks1 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks1 s SER 105 N 0.00 5.39 -0.16 1.61 1.04 -0.37 -3.52 113.70 117.69 3ks1 s SER 105 Ca 0.00 1.80 -0.13 0.00 0.48 0.00 0.00 55.95 58.11 3ks1 s SER 105 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 3ks1 s SER 105 CO 0.00 -1.44 -0.21 -0.62 0.98 0.00 0.00 173.24 171.95 3ks1 n GLU 106 N -2.58 0.49 -2.02 4.02 1.02 -1.26 -4.82 120.64 115.48 3ks1 n GLU 106 Ca 0.09 0.43 -0.36 0.00 -0.02 0.00 0.00 57.16 57.29 3ks1 n GLU 106 Cb 0.53 -1.61 0.03 0.00 -0.02 0.00 0.00 31.44 30.36 3ks1 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ks1 s HIS 107 N -2.46 2.45 0.19 -0.32 3.76 -1.26 -4.22 115.29 113.43 3ks1 s HIS 107 Ca -0.20 1.50 0.07 0.00 -0.15 0.00 0.00 55.06 56.28 3ks1 s HIS 107 Cb 0.03 -3.51 -0.05 0.00 1.11 0.00 0.00 32.58 30.17 3ks1 s HIS 107 CO 0.31 -2.19 -0.14 0.95 -0.85 0.00 0.00 174.74 172.82 3ks1 s THR 108 N -1.55 1.64 -0.23 1.30 -4.23 -1.17 -4.68 115.64 106.72 3ks1 s THR 108 Ca 0.75 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 3ks1 s THR 108 Cb -0.31 -1.99 0.05 0.00 1.34 0.00 0.00 72.50 71.59 3ks1 s THR 108 CO 0.35 -0.61 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.05 3ks1 s VAL 109 N -2.98 1.73 -1.54 2.29 1.01 -0.77 -0.00 120.40 120.14 3ks1 s VAL 109 Ca 0.21 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 3ks1 s VAL 109 Cb -0.00 -1.89 0.08 0.00 0.00 0.00 0.00 36.38 34.57 3ks1 s VAL 109 CO 0.06 0.01 0.78 0.47 0.00 0.00 0.00 175.10 176.42 3ks1 n ASP 110 N 4.62 -3.03 0.00 3.32 8.00 0.33 -0.78 116.55 129.00 3ks1 n ASP 110 Ca -0.14 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3ks1 n ASP 110 Cb 0.44 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 3ks1 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ks1 n LYS 111 N -4.49 0.00 -2.35 -1.24 4.76 -1.26 -4.99 118.16 108.59 3ks1 n LYS 111 Ca -0.06 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 3ks1 n LYS 111 Cb 0.56 -2.83 -0.03 0.00 -1.84 0.00 0.00 35.03 30.90 3ks1 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3ks1 s LYS 112 N -0.21 4.34 -0.06 1.97 2.20 0.04 -4.99 119.74 123.04 3ks1 s LYS 112 Ca 0.00 1.82 -0.16 0.00 -0.36 0.00 0.00 55.97 57.28 3ks1 s LYS 112 Cb 0.00 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3ks1 s LYS 112 CO 0.00 -0.46 0.41 0.15 -0.36 0.00 0.00 175.35 175.09 3ks1 s LYS 113 N 1.99 4.09 0.51 4.03 1.02 -1.26 -1.85 119.74 128.27 3ks1 s LYS 113 Ca 0.60 0.38 -0.00 0.00 0.02 0.00 0.00 55.97 56.96 3ks1 s LYS 113 Cb -0.29 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.72 3ks1 s LYS 113 CO 0.25 0.47 0.74 0.71 -0.92 0.00 0.00 175.35 176.60 3ks1 s TYR 114 N -0.34 3.08 0.42 3.18 2.02 -1.26 -4.68 117.35 119.77 3ks1 s TYR 114 Ca 0.23 0.18 0.29 0.00 -0.37 0.00 0.00 57.07 57.41 3ks1 s TYR 114 Cb -0.16 -2.54 1.55 0.00 -0.40 0.00 0.00 41.96 40.41 3ks1 s TYR 114 CO 0.11 -0.62 2.10 0.00 -1.57 0.00 0.00 175.55 175.57 3ks1 h ALA 115 N 0.20 1.26 -2.26 3.71 0.00 -1.27 -0.92 119.26 119.98 3ks1 h ALA 115 Ca -0.44 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 54.58 3ks1 h ALA 115 Cb 1.27 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3ks1 h ALA 115 CO 0.56 0.12 0.57 0.00 0.00 0.00 0.00 179.25 180.49 3ks1 s ALA 116 N -4.18 -1.73 -0.15 0.00 0.00 -1.13 -3.31 121.76 111.25 3ks1 s ALA 116 Ca -0.03 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 3ks1 s ALA 116 Cb 0.13 0.63 0.06 0.00 0.00 0.00 0.00 23.12 23.95 3ks1 s ALA 116 CO 0.57 -1.05 0.33 -2.00 0.00 0.00 0.00 175.76 173.61 3ks1 s GLU 117 N -2.83 0.27 -0.02 0.00 2.12 -0.20 -1.25 118.70 116.78 3ks1 s GLU 117 Ca 0.15 0.77 -0.18 0.00 0.36 0.00 0.00 54.97 56.07 3ks1 s GLU 117 Cb -0.01 0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.36 3ks1 s GLU 117 CO 0.02 -0.21 0.52 -1.17 -0.54 0.00 0.00 175.26 173.88 3ks1 s LEU 118 N 1.90 4.41 -0.24 2.70 2.96 0.06 -1.03 118.68 129.45 3ks1 s LEU 118 Ca -0.05 1.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 3ks1 s LEU 118 Cb -0.11 -2.78 0.05 0.00 0.50 0.00 0.00 46.19 43.85 3ks1 s LEU 118 CO -0.11 0.15 -0.11 -1.00 -1.32 0.00 0.00 176.35 173.96 3ks1 s HIS 119 N -0.30 2.96 -0.40 5.38 3.76 0.19 -1.35 115.29 125.54 3ks1 s HIS 119 Ca 0.28 -2.05 -0.18 0.00 -0.15 0.00 0.00 55.06 52.96 3ks1 s HIS 119 Cb -0.17 -1.84 0.01 0.00 1.11 0.00 0.00 32.58 31.69 3ks1 s HIS 119 CO 0.15 -0.84 0.47 -0.51 -0.85 0.00 0.00 174.74 173.16 3ks1 s LEU 120 N 1.21 4.64 -0.22 0.89 1.43 -0.35 -2.40 118.68 123.87 3ks1 s LEU 120 Ca -0.05 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.48 3ks1 s LEU 120 Cb -0.18 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3ks1 s LEU 120 CO -0.07 -0.55 0.31 -0.69 0.23 0.00 0.00 176.35 175.58 3ks1 s VAL 121 N 2.27 5.25 0.09 -1.59 1.01 0.35 -1.46 120.40 126.33 3ks1 s VAL 121 Ca 0.15 0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.71 3ks1 s VAL 121 Cb -0.16 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3ks1 s VAL 121 CO 0.14 0.28 -0.20 -1.00 0.00 0.00 0.00 175.10 174.32 3ks1 s HIS 122 N 1.28 1.67 0.07 5.22 3.76 -0.30 -1.10 115.29 125.89 3ks1 s HIS 122 Ca 0.15 -0.43 0.09 0.00 -0.15 0.00 0.00 55.06 54.72 3ks1 s HIS 122 Cb -0.14 -0.92 -0.03 0.00 1.11 0.00 0.00 32.58 32.59 3ks1 s HIS 122 CO 0.07 0.17 -0.24 1.67 -0.85 0.00 0.00 174.74 175.56 3ks1 s TRP 123 N -1.18 2.11 -0.21 1.40 1.48 0.16 -1.40 118.94 121.31 3ks1 s TRP 123 Ca 0.05 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.40 3ks1 s TRP 123 Cb -0.10 -1.22 -0.03 0.00 -1.16 0.00 0.00 33.47 30.96 3ks1 s TRP 123 CO 0.04 0.17 1.68 1.21 -4.06 0.00 0.00 176.95 175.99 3ks1 s ASN 124 N -1.49 6.29 0.62 -2.66 3.84 0.32 -0.45 114.94 121.42 3ks1 s ASN 124 Ca 0.10 1.67 0.42 0.00 0.21 0.00 0.00 52.86 55.26 3ks1 s ASN 124 Cb -0.10 -2.53 2.27 0.00 -0.55 0.00 0.00 41.25 40.35 3ks1 s ASN 124 CO 0.03 -1.32 2.28 0.71 -2.79 0.00 0.00 177.10 176.02 3ks1 h THR 125 N 6.22 0.00 0.00 -5.21 1.35 -1.55 -1.13 112.91 112.59 3ks1 h THR 125 Ca -0.35 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3ks1 h THR 125 Cb 1.16 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3ks1 h THR 125 CO 1.00 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.56 3ks1 n LYS 127 N -2.98 0.04 0.00 4.72 2.85 -1.26 -2.06 118.16 119.47 3ks1 n LYS 127 Ca -0.03 0.25 0.08 0.00 -1.05 0.00 0.00 58.31 57.56 3ks1 n LYS 127 Cb 0.07 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 32.99 3ks1 n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3ks1 n TYR 128 N -1.46 0.00 0.00 5.58 4.01 -0.43 -5.02 117.16 119.85 3ks1 n TYR 128 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3ks1 n TYR 128 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3ks1 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ks1 n GLY 129 N 0.94 1.74 3.79 2.72 0.00 -0.88 -4.54 105.19 108.97 3ks1 n GLY 129 Ca 0.08 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 3ks1 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ks1 s ASP 130 N 0.00 -0.15 0.16 1.61 1.47 -1.26 -5.05 116.67 113.46 3ks1 s ASP 130 Ca 0.00 -0.78 -0.13 0.00 1.18 0.00 0.00 52.55 52.82 3ks1 s ASP 130 Cb 0.00 0.72 0.06 0.00 -0.34 0.00 0.00 42.92 43.36 3ks1 s ASP 130 CO 0.00 -1.36 1.72 0.15 0.68 0.00 0.00 175.17 176.35 3ks1 h PHE 131 N 2.05 0.85 -0.59 2.11 3.57 -1.95 -1.18 116.94 121.80 3ks1 h PHE 131 Ca -0.23 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.18 3ks1 h PHE 131 Cb 1.25 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 3ks1 h PHE 131 CO 0.61 0.69 0.25 0.78 -2.23 0.00 0.00 178.31 178.41 3ks1 h GLY 132 N 0.76 0.91 1.33 2.40 0.00 -1.97 -1.28 103.07 105.22 3ks1 h GLY 132 Ca 0.18 -0.45 -0.26 0.00 0.00 0.00 0.00 47.33 46.81 3ks1 h GLY 132 CO -0.01 0.43 -1.02 0.50 0.00 0.00 0.00 176.54 176.43 3ks1 h LYS 133 N 0.84 0.60 -0.73 4.80 1.79 -1.81 -3.32 116.57 118.75 3ks1 h LYS 133 Ca 0.20 -0.65 0.04 0.00 -2.18 0.00 0.00 60.65 58.06 3ks1 h LYS 133 Cb 0.15 0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 3ks1 h LYS 133 CO -0.02 1.26 0.45 0.00 -1.08 0.00 0.00 179.45 180.05 3ks1 h ALA 134 N 0.51 0.97 0.00 3.86 0.00 -0.53 -1.44 119.26 122.62 3ks1 h ALA 134 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ks1 h ALA 134 Cb 1.67 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3ks1 h ALA 134 CO 0.19 0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.97 3ks1 n VAL 135 N -4.68 1.11 1.37 0.00 0.24 -0.55 -1.12 118.33 114.70 3ks1 n VAL 135 Ca 0.09 0.41 0.10 0.00 -2.04 0.00 0.00 64.34 62.91 3ks1 n VAL 135 Cb 0.12 -1.34 0.41 0.00 -1.47 0.00 0.00 33.84 31.56 3ks1 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ks1 n GLN 136 N -1.97 1.60 -4.62 7.34 6.02 -0.54 -4.69 117.38 120.52 3ks1 n GLN 136 Ca 0.01 -0.91 -0.30 0.00 -0.01 0.00 0.00 57.00 55.80 3ks1 n GLN 136 Cb 0.13 -1.38 -0.13 0.00 1.02 0.00 0.00 30.24 29.87 3ks1 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ks1 s GLN 137 N -1.83 1.78 0.50 -1.09 -1.52 -0.28 -5.02 119.66 112.19 3ks1 s GLN 137 Ca 0.32 -1.14 0.22 0.00 -1.95 0.00 0.00 55.36 52.81 3ks1 s GLN 137 Cb 0.17 -2.04 1.30 0.00 -0.22 0.00 0.00 33.01 32.21 3ks1 s GLN 137 CO 0.26 0.50 2.06 -1.35 -0.25 0.00 0.00 175.29 176.51 3ks1 h PRO 138 N 4.34 0.00 -0.43 2.91 0.11 -1.85 -1.75 132.00 135.33 3ks1 h PRO 138 Ca -0.48 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.34 3ks1 h PRO 138 Cb 1.16 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.08 3ks1 h PRO 138 CO 0.44 0.13 -0.33 -0.40 -0.21 0.00 0.00 178.00 177.64 3ks1 n ASP 139 N -3.96 3.40 0.03 -2.05 5.75 -1.26 -4.18 116.55 114.28 3ks1 n ASP 139 Ca -0.02 -3.81 -0.11 0.00 -0.01 0.00 0.00 54.79 50.83 3ks1 n ASP 139 Cb 0.22 -0.55 0.01 0.00 -1.03 0.00 0.00 41.12 39.77 3ks1 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3ks1 h GLY 140 N 1.42 0.53 -3.49 6.12 0.00 -1.13 -3.43 103.07 103.10 3ks1 h GLY 140 Ca 0.24 -0.75 -0.51 0.00 0.00 0.00 0.00 47.33 46.31 3ks1 h GLY 140 CO 0.50 0.66 -0.79 1.08 0.00 0.00 0.00 176.54 178.00 3ks1 s LEU 141 N -8.06 2.41 -0.11 3.11 1.43 0.85 -0.52 118.68 117.78 3ks1 s LEU 141 Ca -0.07 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 3ks1 s LEU 141 Cb 0.10 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.54 3ks1 s LEU 141 CO 0.85 -0.04 -0.13 0.00 0.23 0.00 0.00 176.35 177.27 3ks1 s ALA 142 N -1.91 1.60 -0.20 4.21 0.00 -0.49 -0.49 121.76 124.49 3ks1 s ALA 142 Ca 0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 3ks1 s ALA 142 Cb -0.06 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 3ks1 s ALA 142 CO 0.06 -0.20 -0.05 0.08 0.00 0.00 0.00 175.76 175.65 3ks1 s VAL 143 N 1.22 3.42 -0.33 0.00 1.01 -0.84 -1.15 120.40 123.73 3ks1 s VAL 143 Ca -0.02 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 3ks1 s VAL 143 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3ks1 s VAL 143 CO -0.05 0.45 0.72 -0.22 0.00 0.00 0.00 175.10 176.01 3ks1 s LEU 144 N 1.12 4.14 -0.17 3.92 2.96 -0.53 -1.33 118.68 128.79 3ks1 s LEU 144 Ca 0.01 0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 54.29 3ks1 s LEU 144 Cb -0.15 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 3ks1 s LEU 144 CO -0.01 -0.61 0.08 -0.83 -1.32 0.00 0.00 176.35 173.66 3ks1 s GLY 145 N 1.71 1.96 -0.07 7.98 0.00 -0.37 -1.22 107.32 117.31 3ks1 s GLY 145 Ca 0.29 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.29 3ks1 s GLY 145 CO 0.14 -0.02 -0.06 -0.42 0.00 0.00 0.00 173.10 172.74 3ks1 s ILE 146 N 0.13 0.77 0.41 0.90 1.01 -0.46 -1.59 121.20 122.36 3ks1 s ILE 146 Ca 0.06 -0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 3ks1 s ILE 146 Cb -0.12 -0.79 -0.09 0.00 0.01 0.00 0.00 42.46 41.46 3ks1 s ILE 146 CO 0.00 0.30 1.01 -0.36 0.00 0.00 0.00 174.94 175.89 3ks1 s PHE 147 N 1.30 3.30 -0.15 3.97 0.08 -1.26 -0.76 117.98 124.46 3ks1 s PHE 147 Ca -0.04 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.66 3ks1 s PHE 147 Cb -0.14 -3.02 -0.00 0.00 -0.57 0.00 0.00 43.02 39.29 3ks1 s PHE 147 CO -0.03 -0.40 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.03 3ks1 s LEU 148 N -2.82 2.51 0.25 -0.37 1.02 -0.38 -0.25 118.68 118.64 3ks1 s LEU 148 Ca 0.59 -0.44 0.11 0.00 0.02 0.00 0.00 54.13 54.41 3ks1 s LEU 148 Cb -0.17 -1.56 -0.05 0.00 0.02 0.00 0.00 46.19 44.43 3ks1 s LEU 148 CO 0.22 0.11 -0.15 -1.59 0.02 0.00 0.00 176.35 174.95 3ks1 s LYS 149 N 0.69 1.83 -0.28 1.70 -2.85 -0.19 -1.59 119.74 119.05 3ks1 s LYS 149 Ca -0.07 -1.60 -0.16 0.00 -1.00 0.00 0.00 55.97 53.14 3ks1 s LYS 149 Cb -0.16 -1.91 -0.03 0.00 -2.06 0.00 0.00 37.83 33.67 3ks1 s LYS 149 CO 0.02 0.36 0.41 0.08 0.10 0.00 0.00 175.35 176.32 3ks1 s VAL 150 N -2.23 5.14 0.00 1.79 1.01 -1.26 -0.57 120.40 124.27 3ks1 s VAL 150 Ca 0.28 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.84 3ks1 s VAL 150 Cb -0.06 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3ks1 s VAL 150 CO 0.15 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3ks1 n GLY 151 N 4.65 0.72 3.79 4.51 0.00 0.34 -4.91 105.19 114.29 3ks1 n GLY 151 Ca -0.07 0.44 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 3ks1 n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks1 s SER 152 N 2.00 6.17 0.65 1.61 1.04 -1.26 -4.21 113.70 119.71 3ks1 s SER 152 Ca 0.00 2.01 -0.17 0.00 0.48 0.00 0.00 55.95 58.27 3ks1 s SER 152 Cb 0.00 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 3ks1 s SER 152 CO 0.00 -0.90 1.18 0.00 0.98 0.00 0.00 173.24 174.50 3ks1 s ALA 153 N -1.90 2.40 -0.45 5.32 0.00 -1.26 -2.23 121.76 123.63 3ks1 s ALA 153 Ca 0.69 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 3ks1 s ALA 153 Cb -0.19 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.57 3ks1 s ALA 153 CO 0.22 -1.39 0.36 0.21 0.00 0.00 0.00 175.76 175.17 3ks1 s LYS 154 N -3.70 2.95 0.34 0.00 2.47 -1.16 -4.78 119.74 115.86 3ks1 s LYS 154 Ca 0.73 -1.27 0.05 0.00 -1.56 0.00 0.00 55.97 53.92 3ks1 s LYS 154 Cb -0.27 -4.07 0.69 0.00 -1.46 0.00 0.00 37.83 32.72 3ks1 s LYS 154 CO 0.39 -0.95 1.94 -1.35 0.16 0.00 0.00 175.35 175.53 3ks1 h PRO 155 N 8.70 0.80 0.00 4.03 0.11 -1.90 -0.90 132.00 142.84 3ks1 h PRO 155 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ks1 h PRO 155 Cb 1.11 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3ks1 h PRO 155 CO 0.83 0.53 0.00 0.41 -0.21 0.00 0.00 178.00 179.56 3ks1 n GLY 156 N -1.43 -1.01 0.05 -0.55 0.00 -1.25 -2.00 105.19 98.99 3ks1 n GLY 156 Ca 0.12 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3ks1 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ks1 n LEU 157 N -1.44 0.62 -0.14 0.99 7.94 -0.34 -4.49 117.00 120.12 3ks1 n LEU 157 Ca 0.05 0.08 -0.05 0.00 -1.11 0.00 0.00 56.01 54.98 3ks1 n LEU 157 Cb 0.18 -0.09 0.14 0.00 0.53 0.00 0.00 43.42 44.18 3ks1 n LEU 157 CO 0.15 -0.02 0.91 -0.61 -1.11 0.00 0.00 177.39 176.72 3ks1 h GLN 158 N 0.00 0.88 -0.10 1.96 5.75 -1.43 -1.74 115.11 120.42 3ks1 h GLN 158 Ca 0.00 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 3ks1 h GLN 158 Cb 0.80 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 3ks1 h GLN 158 CO 0.00 0.84 0.03 0.87 -2.65 0.00 0.00 178.83 177.92 3ks1 h LYS 159 N 0.83 0.13 -0.01 1.69 1.57 -1.79 0.78 116.57 119.77 3ks1 h LYS 159 Ca 0.17 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3ks1 h LYS 159 Cb 0.41 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3ks1 h LYS 159 CO 0.01 0.12 -0.04 0.28 -0.57 0.00 0.00 179.45 179.25 3ks1 h VAL 160 N 0.13 1.53 -0.82 0.50 2.07 -1.64 -3.24 116.25 114.78 3ks1 h VAL 160 Ca 0.03 -1.62 0.12 0.00 0.82 0.00 0.00 66.70 66.05 3ks1 h VAL 160 Cb 0.04 2.61 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 3ks1 h VAL 160 CO -0.00 0.43 0.44 0.58 0.02 0.00 0.00 177.57 179.03 3ks1 h VAL 161 N -0.62 0.83 0.00 2.57 2.07 -0.64 -2.41 116.25 118.04 3ks1 h VAL 161 Ca -0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3ks1 h VAL 161 Cb 0.72 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3ks1 h VAL 161 CO 0.01 0.13 0.00 0.44 0.02 0.00 0.00 177.57 178.16 3ks1 h ASP 162 N 0.69 0.00 0.15 0.57 3.32 -0.93 -2.74 116.42 117.48 3ks1 h ASP 162 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3ks1 h ASP 162 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3ks1 h ASP 162 CO -0.30 0.00 -0.56 0.55 -1.72 0.00 0.00 179.24 177.21 3ks1 n VAL 163 N -2.83 0.00 0.19 -1.35 3.14 -0.91 -4.40 118.33 112.16 3ks1 n VAL 163 Ca 0.01 -0.11 0.03 0.00 -2.96 0.00 0.00 64.34 61.31 3ks1 n VAL 163 Cb 0.28 0.79 0.41 0.00 -1.06 0.00 0.00 33.84 34.25 3ks1 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3ks1 h LEU 164 N 1.05 0.04 -2.26 6.55 3.38 -1.41 -0.91 115.31 121.74 3ks1 h LEU 164 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ks1 h LEU 164 Cb 0.58 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ks1 h LEU 164 CO 0.00 0.32 0.00 -2.24 0.09 0.00 0.00 178.44 176.61 3ks1 h ASP 165 N 0.03 0.00 0.26 -0.43 2.03 -1.78 -1.78 116.42 114.76 3ks1 h ASP 165 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ks1 h ASP 165 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 3ks1 h ASP 165 CO 0.04 0.00 -0.38 -1.54 -1.03 0.00 0.00 179.24 176.33 3ks1 n SER 166 N -2.81 1.00 -2.61 4.15 3.41 -0.35 -4.18 113.62 112.24 3ks1 n SER 166 Ca -0.02 -0.81 -0.13 0.00 -0.26 0.00 0.00 58.87 57.66 3ks1 n SER 166 Cb 0.10 0.24 0.03 0.00 -0.26 0.00 0.00 64.21 64.32 3ks1 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3ks1 n ILE 167 N -0.83 1.45 0.01 -1.33 -5.35 -0.67 -4.75 119.36 107.89 3ks1 n ILE 167 Ca 0.10 -3.53 -0.00 0.00 -0.27 0.00 0.00 62.75 59.05 3ks1 n ILE 167 Cb 0.36 0.22 0.30 0.00 -1.74 0.00 0.00 39.64 38.77 3ks1 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3ks1 h LYS 168 N 2.79 0.49 -6.50 6.28 3.64 -1.71 -3.42 116.57 118.14 3ks1 h LYS 168 Ca 0.01 -0.11 -0.64 0.00 -1.27 0.00 0.00 60.65 58.65 3ks1 h LYS 168 Cb 1.16 -0.07 -0.16 0.00 -0.41 0.00 0.00 32.23 32.75 3ks1 h LYS 168 CO 0.54 0.54 -0.77 0.95 -2.27 0.00 0.00 179.45 178.45 3ks1 s THR 169 N -4.90 2.74 0.14 1.00 -4.23 -1.26 -0.19 115.64 108.95 3ks1 s THR 169 Ca -0.07 -1.91 -0.34 0.00 -1.18 0.00 0.00 61.69 58.18 3ks1 s THR 169 Cb 0.15 -2.35 -0.15 0.00 1.34 0.00 0.00 72.50 71.49 3ks1 s THR 169 CO 0.76 -0.15 1.37 1.17 -0.54 0.00 0.00 174.62 177.23 3ks1 n LYS 170 N 0.06 1.51 0.00 3.99 4.81 -0.42 -1.81 118.16 126.29 3ks1 n LYS 170 Ca -0.11 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 3ks1 n LYS 170 Cb 0.56 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.43 3ks1 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ks1 n GLY 171 N 2.58 3.21 3.78 3.14 0.00 0.61 -4.36 105.19 114.15 3ks1 n GLY 171 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3ks1 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ks1 s LYS 172 N -0.74 4.49 0.11 1.61 1.02 -0.75 -4.88 119.74 120.61 3ks1 s LYS 172 Ca 0.00 1.38 -0.05 0.00 0.02 0.00 0.00 55.97 57.32 3ks1 s LYS 172 Cb 0.00 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 3ks1 s LYS 172 CO 0.00 0.18 0.13 -1.54 -0.92 0.00 0.00 175.35 173.19 3ks1 s SER 173 N -1.59 0.23 0.02 2.83 1.04 -1.26 -0.78 113.70 114.20 3ks1 s SER 173 Ca 0.52 -0.94 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 3ks1 s SER 173 Cb -0.20 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.26 3ks1 s SER 173 CO 0.25 -0.74 0.25 0.00 0.98 0.00 0.00 173.24 173.98 3ks1 s ALA 174 N -3.95 -0.57 0.27 5.32 0.00 -0.19 -4.96 121.76 117.67 3ks1 s ALA 174 Ca 0.14 -0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.77 3ks1 s ALA 174 Cb 0.06 0.23 -0.12 0.00 0.00 0.00 0.00 23.12 23.29 3ks1 s ALA 174 CO -0.04 -0.34 1.53 -0.25 0.00 0.00 0.00 175.76 176.65 3ks1 n ASP 175 N 0.86 3.43 -3.23 0.00 8.00 -1.26 -1.25 116.55 123.11 3ks1 n ASP 175 Ca -0.20 1.14 -0.16 0.00 0.71 0.00 0.00 54.79 56.28 3ks1 n ASP 175 Cb 0.58 -1.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.09 3ks1 n ASP 175 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3ks1 s PHE 176 N 0.01 -0.27 0.24 1.24 5.36 -0.56 -4.73 117.98 119.28 3ks1 s PHE 176 Ca 0.66 -1.15 0.06 0.00 -0.96 0.00 0.00 56.93 55.53 3ks1 s PHE 176 Cb -0.56 -0.35 -0.03 0.00 -0.34 0.00 0.00 43.02 41.74 3ks1 s PHE 176 CO 0.48 -1.01 0.32 0.95 -1.46 0.00 0.00 175.22 174.50 3ks1 s THR 177 N 0.92 5.05 -1.61 0.12 -4.23 -1.26 -3.08 115.64 111.55 3ks1 s THR 177 Ca 0.24 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 3ks1 s THR 177 Cb -0.06 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.04 3ks1 s THR 177 CO -0.08 -0.33 0.00 0.59 -0.54 0.00 0.00 174.62 174.26 3ks1 n ASN 178 N -1.35 -5.19 -4.70 3.99 3.02 -1.26 -4.94 115.26 104.82 3ks1 n ASN 178 Ca -0.09 0.09 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 3ks1 n ASN 178 Cb 0.57 -4.27 -0.05 0.00 -0.61 0.00 0.00 39.78 35.43 3ks1 n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ks1 s PHE 179 N -2.84 3.52 -0.51 3.10 5.36 -1.26 -5.01 117.98 120.34 3ks1 s PHE 179 Ca 0.00 1.24 -0.17 0.00 -0.96 0.00 0.00 56.93 57.04 3ks1 s PHE 179 Cb 0.00 -2.87 0.09 0.00 -0.34 0.00 0.00 43.02 39.90 3ks1 s PHE 179 CO 0.00 -0.03 0.51 0.34 -1.46 0.00 0.00 175.22 174.58 3ks1 s ASP 180 N 0.94 6.18 0.08 6.13 -1.08 -1.26 -4.47 116.67 123.19 3ks1 s ASP 180 Ca 0.37 -1.38 0.11 0.00 -0.52 0.00 0.00 52.55 51.14 3ks1 s ASP 180 Cb -0.17 -2.23 0.51 0.00 -1.46 0.00 0.00 42.92 39.57 3ks1 s ASP 180 CO 0.16 -0.81 1.35 -0.81 0.52 0.00 0.00 175.17 175.58 3ks1 n PRO 181 N 5.55 0.05 0.26 4.34 -0.04 -1.26 -1.59 135.00 142.30 3ks1 n PRO 181 Ca -0.11 0.42 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 3ks1 n PRO 181 Cb 0.43 -1.62 0.65 0.00 -0.04 0.00 0.00 33.50 32.93 3ks1 n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ks1 h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.91 -1.78 114.38 114.30 3ks1 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ks1 h ARG 182 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3ks1 h ARG 182 CO 0.00 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 3ks1 n GLY 183 N -1.32 -0.66 0.39 0.04 0.00 -0.62 -2.43 105.19 100.58 3ks1 n GLY 183 Ca -0.03 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 45.97 3ks1 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ks1 n LEU 184 N -0.77 1.90 -4.85 0.99 4.77 -0.67 -3.93 117.00 114.45 3ks1 n LEU 184 Ca 0.09 -1.14 -0.34 0.00 -0.03 0.00 0.00 56.01 54.59 3ks1 n LEU 184 Cb 0.04 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3ks1 n LEU 184 CO 0.06 0.39 0.30 -0.76 -1.33 0.00 0.00 177.39 176.06 3ks1 s LEU 185 N -0.80 4.21 0.98 2.23 1.43 -1.02 -4.92 118.68 120.79 3ks1 s LEU 185 Ca 0.12 1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 3ks1 s LEU 185 Cb 0.08 -3.67 0.21 0.00 0.03 0.00 0.00 46.19 42.85 3ks1 s LEU 185 CO 0.12 -0.05 1.34 -2.16 0.23 0.00 0.00 176.35 175.83 3ks1 s PRO 186 N -2.52 0.49 0.04 1.29 0.04 -1.26 -5.01 135.00 128.07 3ks1 s PRO 186 Ca 0.46 -0.48 -0.30 0.00 0.04 0.00 0.00 61.00 60.73 3ks1 s PRO 186 Cb -0.13 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.40 3ks1 s PRO 186 CO 0.20 -2.51 1.36 0.93 0.04 0.00 0.00 177.00 177.02 3ks1 h GLU 187 N -1.71 -0.84 -6.45 4.56 5.08 -1.91 -3.45 114.58 109.86 3ks1 h GLU 187 Ca -0.44 0.06 -0.54 0.00 -1.00 0.00 0.00 59.36 57.44 3ks1 h GLU 187 Cb 1.22 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.63 3ks1 h GLU 187 CO 0.35 -0.52 0.03 0.45 -1.00 0.00 0.00 179.01 178.31 3ks1 s SER 188 N -4.51 6.99 -0.20 1.42 0.15 -1.26 -4.99 113.70 111.30 3ks1 s SER 188 Ca -0.16 1.29 0.15 0.00 0.70 0.00 0.00 55.95 57.94 3ks1 s SER 188 Cb 0.02 -2.37 0.74 0.00 -1.71 0.00 0.00 66.02 62.70 3ks1 s SER 188 CO 0.54 0.09 1.66 0.18 1.20 0.00 0.00 173.24 176.90 3ks1 n LEU 189 N 0.88 5.15 -4.77 3.45 4.77 -1.26 -4.69 117.00 120.52 3ks1 n LEU 189 Ca -0.04 -2.83 -0.41 0.00 -0.03 0.00 0.00 56.01 52.70 3ks1 n LEU 189 Cb 0.51 -0.63 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3ks1 n LEU 189 CO 0.43 0.68 1.08 -1.81 -1.33 0.00 0.00 177.39 176.44 3ks1 s ASP 190 N -1.04 6.34 0.11 -1.43 1.01 -1.26 -4.75 116.67 115.65 3ks1 s ASP 190 Ca 0.51 2.93 -0.08 0.00 0.71 0.00 0.00 52.55 56.62 3ks1 s ASP 190 Cb 0.38 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 3ks1 s ASP 190 CO 0.16 -0.86 0.20 -0.72 0.21 0.00 0.00 175.17 174.16 3ks1 s TYR 191 N -1.15 0.24 0.12 4.23 -0.85 -1.26 -1.38 117.35 117.31 3ks1 s TYR 191 Ca 0.54 -0.66 0.03 0.00 -0.52 0.00 0.00 57.07 56.46 3ks1 s TYR 191 Cb -0.44 -0.08 -0.04 0.00 0.38 0.00 0.00 41.96 41.78 3ks1 s TYR 191 CO 0.59 -0.58 0.15 -1.58 -1.52 0.00 0.00 175.55 172.61 3ks1 s TRP 192 N -3.89 3.25 -0.00 -3.49 0.51 0.25 -0.90 118.94 114.67 3ks1 s TRP 192 Ca 0.08 0.06 -0.04 0.00 -2.12 0.00 0.00 56.10 54.09 3ks1 s TRP 192 Cb 0.05 -1.60 -0.00 0.00 -0.81 0.00 0.00 33.47 31.10 3ks1 s TRP 192 CO -0.08 0.53 0.08 -0.08 -0.51 0.00 0.00 176.95 176.88 3ks1 s THR 193 N -1.60 0.07 0.00 2.01 -1.32 0.07 -0.59 115.64 114.29 3ks1 s THR 193 Ca 0.31 -0.59 -0.28 0.00 -1.21 0.00 0.00 61.69 59.93 3ks1 s THR 193 Cb -0.11 -0.31 0.10 0.00 -1.51 0.00 0.00 72.50 70.66 3ks1 s THR 193 CO 0.24 -0.32 0.83 -0.72 -2.21 0.00 0.00 174.62 172.44 3ks1 s TYR 194 N -1.05 -0.41 0.00 9.09 1.13 -1.03 -1.23 117.35 123.85 3ks1 s TYR 194 Ca -0.11 0.35 -0.25 0.00 -1.41 0.00 0.00 57.07 55.64 3ks1 s TYR 194 Cb -0.07 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.27 3ks1 s TYR 194 CO 0.00 -0.58 0.76 -1.25 -2.51 0.00 0.00 175.55 171.97 3ks1 s PRO 195 N -2.86 4.48 0.00 -3.49 0.04 -1.26 -1.45 135.00 130.46 3ks1 s PRO 195 Ca 0.02 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.09 3ks1 s PRO 195 Cb -0.01 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3ks1 s PRO 195 CO -0.07 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.57 3ks1 n GLY 196 N 2.66 3.99 3.25 0.56 0.00 0.37 -4.82 105.19 111.19 3ks1 n GLY 196 Ca -0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 3ks1 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks1 s SER 197 N 1.80 0.67 0.48 1.61 1.04 -1.08 -1.99 113.70 116.23 3ks1 s SER 197 Ca 0.00 -1.36 -0.24 0.00 0.48 0.00 0.00 55.95 54.83 3ks1 s SER 197 Cb 0.00 0.26 -0.07 0.00 0.10 0.00 0.00 66.02 66.31 3ks1 s SER 197 CO 0.00 -0.77 1.41 0.18 0.98 0.00 0.00 173.24 175.04 3ks1 n LEU 198 N -0.34 5.23 -0.70 2.42 4.77 -0.46 -4.50 117.00 123.42 3ks1 n LEU 198 Ca 0.00 1.07 0.12 0.00 -0.03 0.00 0.00 56.01 57.18 3ks1 n LEU 198 Cb 0.66 -1.59 0.35 0.00 -2.33 0.00 0.00 43.42 40.50 3ks1 n LEU 198 CO 0.35 -0.30 0.77 0.35 -1.33 0.00 0.00 177.39 177.22 3ks1 n THR 199 N -0.47 0.14 -4.33 -5.08 -2.24 -1.26 -4.41 114.28 96.63 3ks1 n THR 199 Ca 0.07 -0.40 -0.24 0.00 -2.27 0.00 0.00 64.05 61.20 3ks1 n THR 199 Cb 0.42 0.74 -0.12 0.00 -2.10 0.00 0.00 70.33 69.27 3ks1 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ks1 s THR 200 N -1.86 1.89 0.26 4.28 -4.23 -1.26 -4.72 115.64 109.99 3ks1 s THR 200 Ca 0.34 -1.74 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 3ks1 s THR 200 Cb 0.20 -1.76 -0.15 0.00 1.34 0.00 0.00 72.50 72.13 3ks1 s THR 200 CO 0.30 -0.12 0.95 -2.65 -0.54 0.00 0.00 174.62 172.57 3ks1 n PRO 201 N 0.74 1.11 -0.01 3.99 -0.02 -1.26 -0.50 135.00 139.06 3ks1 n PRO 201 Ca -0.17 0.39 0.07 0.00 -2.02 0.00 0.00 63.50 61.78 3ks1 n PRO 201 Cb 0.55 -1.72 0.40 0.00 -0.02 0.00 0.00 33.50 32.71 3ks1 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ks1 n PRO 202 N 0.90 1.06 -2.37 0.52 -0.04 -1.26 -5.00 135.00 128.82 3ks1 n PRO 202 Ca 0.12 -0.09 -0.19 0.00 -0.04 0.00 0.00 63.50 63.29 3ks1 n PRO 202 Cb 0.30 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 3ks1 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ks1 n LEU 203 N -0.63 -1.88 -4.76 1.53 4.77 0.35 -4.87 117.00 111.50 3ks1 n LEU 203 Ca 0.11 -0.02 -0.39 0.00 -0.03 0.00 0.00 56.01 55.68 3ks1 n LEU 203 Cb 0.07 -2.77 0.02 0.00 -2.33 0.00 0.00 43.42 38.41 3ks1 n LEU 203 CO 0.08 -0.21 1.02 -0.76 -1.33 0.00 0.00 177.39 176.19 3ks1 s LEU 204 N -5.58 4.05 -1.23 2.23 1.43 -1.26 -4.43 118.68 113.90 3ks1 s LEU 204 Ca 0.00 2.80 -0.08 0.00 -1.03 0.00 0.00 54.13 55.83 3ks1 s LEU 204 Cb 0.00 -4.04 0.21 0.00 0.03 0.00 0.00 46.19 42.39 3ks1 s LEU 204 CO 0.00 -1.22 1.79 -0.62 0.23 0.00 0.00 176.35 176.54 3ks1 n GLU 205 N -0.38 3.91 -0.15 1.70 1.02 -1.26 -1.35 120.64 124.13 3ks1 n GLU 205 Ca 0.06 -3.81 0.02 0.00 -0.02 0.00 0.00 57.16 53.41 3ks1 n GLU 205 Cb 0.43 -2.80 0.02 0.00 -0.02 0.00 0.00 31.44 29.08 3ks1 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ks1 s VAL 207 N -0.66 2.94 -0.42 0.00 1.01 -0.84 -0.10 120.40 122.32 3ks1 s VAL 207 Ca 0.05 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 3ks1 s VAL 207 Cb 0.04 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.21 3ks1 s VAL 207 CO 0.00 0.52 0.71 -0.89 0.00 0.00 0.00 175.10 175.45 3ks1 s THR 208 N 0.50 4.76 0.01 3.92 2.01 0.36 -0.48 115.64 126.72 3ks1 s THR 208 Ca -0.09 0.42 -0.25 0.00 0.31 0.00 0.00 61.69 62.07 3ks1 s THR 208 Cb -0.16 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.08 3ks1 s THR 208 CO 0.04 -0.57 0.78 0.26 -0.69 0.00 0.00 174.62 174.45 3ks1 s TRP 209 N 3.01 3.68 -0.30 4.92 0.52 -0.52 -1.98 118.94 128.26 3ks1 s TRP 209 Ca 0.27 1.45 0.01 0.00 0.02 0.00 0.00 56.10 57.84 3ks1 s TRP 209 Cb -0.13 -2.86 0.09 0.00 -1.15 0.00 0.00 33.47 29.42 3ks1 s TRP 209 CO 0.19 0.18 0.06 0.42 0.02 0.00 0.00 176.95 177.82 3ks1 s ILE 210 N 0.33 1.37 -0.24 2.03 1.01 -0.44 -2.47 121.20 122.78 3ks1 s ILE 210 Ca 0.40 -1.60 -0.08 0.00 0.00 0.00 0.00 60.65 59.38 3ks1 s ILE 210 Cb -0.20 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3ks1 s ILE 210 CO 0.22 -0.54 0.08 -0.69 0.00 0.00 0.00 174.94 174.01 3ks1 s VAL 211 N 1.39 4.46 0.20 2.92 1.01 0.24 -1.23 120.40 129.39 3ks1 s VAL 211 Ca 0.07 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3ks1 s VAL 211 Cb -0.18 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 3ks1 s VAL 211 CO -0.16 0.36 1.16 -0.76 0.00 0.00 0.00 175.10 175.69 3ks1 s LEU 212 N 1.39 4.47 0.27 3.92 1.43 -0.62 -0.58 118.68 128.96 3ks1 s LEU 212 Ca 0.05 2.22 0.02 0.00 -1.03 0.00 0.00 54.13 55.39 3ks1 s LEU 212 Cb -0.15 -3.61 0.38 0.00 0.03 0.00 0.00 46.19 42.84 3ks1 s LEU 212 CO 0.04 -0.30 1.70 0.50 0.23 0.00 0.00 176.35 178.51 3ks1 h LYS 213 N 4.95 0.48 -5.50 1.70 3.64 -1.56 -3.43 116.57 116.84 3ks1 h LYS 213 Ca -0.45 -0.19 -0.62 0.00 -1.27 0.00 0.00 60.65 58.12 3ks1 h LYS 213 Cb 1.21 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 3ks1 h LYS 213 CO 0.73 0.72 0.15 -2.00 -2.27 0.00 0.00 179.45 176.78 3ks1 s GLU 214 N -4.42 3.94 0.62 1.90 2.12 -1.26 -5.03 118.70 116.56 3ks1 s GLU 214 Ca -0.07 0.34 -0.13 0.00 0.36 0.00 0.00 54.97 55.47 3ks1 s GLU 214 Cb 0.13 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 3ks1 s GLU 214 CO 0.79 -0.54 1.04 -1.25 -0.54 0.00 0.00 175.26 174.76 3ks1 s PRO 215 N 2.59 3.35 0.20 4.30 0.04 -1.26 -4.66 135.00 139.57 3ks1 s PRO 215 Ca 0.25 1.00 -0.05 0.00 0.04 0.00 0.00 61.00 62.24 3ks1 s PRO 215 Cb -0.15 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 3ks1 s PRO 215 CO 0.11 -0.77 0.45 0.96 0.04 0.00 0.00 177.00 177.79 3ks1 s ILE 216 N -2.81 5.11 -0.17 0.56 -4.36 0.65 -4.86 121.20 115.32 3ks1 s ILE 216 Ca 0.59 0.02 -0.10 0.00 -0.26 0.00 0.00 60.65 60.90 3ks1 s ILE 216 Cb -0.13 -3.67 -0.05 0.00 1.25 0.00 0.00 42.46 39.86 3ks1 s ILE 216 CO 0.45 -0.11 0.18 -0.55 0.24 0.00 0.00 174.94 175.15 3ks1 s SER 217 N -2.75 6.32 0.14 4.36 0.15 -1.26 -1.02 113.70 119.64 3ks1 s SER 217 Ca 0.42 0.37 0.06 0.00 0.70 0.00 0.00 55.95 57.50 3ks1 s SER 217 Cb -0.11 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 3ks1 s SER 217 CO 0.26 0.22 -0.13 0.68 1.20 0.00 0.00 173.24 175.47 3ks1 s VAL 218 N 0.02 1.35 0.40 4.45 -7.23 0.26 -3.00 120.40 116.67 3ks1 s VAL 218 Ca 0.12 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 3ks1 s VAL 218 Cb -0.12 -1.71 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 3ks1 s VAL 218 CO 0.01 -0.55 0.79 -0.94 -0.31 0.00 0.00 175.10 174.10 3ks1 s SER 219 N -2.82 6.56 0.30 4.85 1.04 -1.21 -0.51 113.70 121.92 3ks1 s SER 219 Ca 0.14 1.19 0.05 0.00 0.48 0.00 0.00 55.95 57.80 3ks1 s SER 219 Cb -0.02 -2.35 0.69 0.00 0.10 0.00 0.00 66.02 64.45 3ks1 s SER 219 CO 0.03 -0.39 1.80 0.77 0.98 0.00 0.00 173.24 176.42 3ks1 h SER 220 N 1.35 0.82 -0.79 7.02 4.64 -1.93 -0.56 113.55 124.10 3ks1 h SER 220 Ca -0.47 0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 3ks1 h SER 220 Cb 1.19 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 3ks1 h SER 220 CO 0.64 0.34 0.35 -0.33 -0.87 0.00 0.00 176.83 176.96 3ks1 h GLU 221 N 0.83 1.17 -0.21 4.77 3.07 -1.95 0.71 114.58 122.96 3ks1 h GLU 221 Ca 0.55 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 59.20 3ks1 h GLU 221 Cb 0.78 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 3ks1 h GLU 221 CO -0.34 0.92 0.05 1.96 -1.40 0.00 0.00 179.01 180.20 3ks1 h GLN 222 N 1.15 0.34 -0.03 2.33 4.20 -1.50 -2.67 115.11 118.93 3ks1 h GLN 222 Ca 0.27 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.75 3ks1 h GLN 222 Cb 0.16 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3ks1 h GLN 222 CO -0.03 0.47 -0.64 0.28 -0.67 0.00 0.00 178.83 178.23 3ks1 h VAL 223 N 0.16 1.42 -0.42 -0.54 2.07 -1.22 -2.47 116.25 115.25 3ks1 h VAL 223 Ca 0.07 -2.12 0.04 0.00 0.82 0.00 0.00 66.70 65.50 3ks1 h VAL 223 Cb 0.28 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3ks1 h VAL 223 CO 0.00 0.62 0.28 -0.07 0.02 0.00 0.00 177.57 178.42 3ks1 h LEU 224 N 0.10 0.36 -0.47 2.57 3.38 -0.73 -1.50 115.31 119.02 3ks1 h LEU 224 Ca -0.01 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3ks1 h LEU 224 Cb 1.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3ks1 h LEU 224 CO 0.09 0.25 -0.50 0.11 0.09 0.00 0.00 178.44 178.49 3ks1 h LYS 225 N 0.42 0.00 -0.80 1.13 1.57 -1.09 -2.27 116.57 115.53 3ks1 h LYS 225 Ca 0.18 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3ks1 h LYS 225 Cb 0.17 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 3ks1 h LYS 225 CO -0.04 0.50 0.51 0.74 -0.57 0.00 0.00 179.45 180.58 3ks1 h PHE 226 N 0.00 0.96 0.00 -1.35 -1.00 -1.20 -2.67 116.94 111.67 3ks1 h PHE 226 Ca -0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3ks1 h PHE 226 Cb 1.18 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 40.43 3ks1 h PHE 226 CO 0.00 0.55 0.00 0.54 -1.61 0.00 0.00 178.31 177.79 3ks1 n ARG 227 N -4.59 0.18 0.08 1.51 1.74 -0.86 -2.18 116.66 112.54 3ks1 n ARG 227 Ca 0.09 0.11 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 3ks1 n ARG 227 Cb 0.09 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.29 3ks1 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ks1 n LYS 228 N -1.37 0.28 -0.87 5.56 5.02 -1.01 -4.48 118.16 121.30 3ks1 n LYS 228 Ca 0.08 0.14 -0.30 0.00 -2.02 0.00 0.00 58.31 56.21 3ks1 n LYS 228 Cb 0.19 -1.74 0.18 0.00 -0.02 0.00 0.00 35.03 33.65 3ks1 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ks1 s LEU 229 N -4.36 2.01 -0.03 -0.35 1.43 -0.92 -4.86 118.68 111.59 3ks1 s LEU 229 Ca 0.08 1.70 0.06 0.00 -1.03 0.00 0.00 54.13 54.94 3ks1 s LEU 229 Cb 0.13 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 3ks1 s LEU 229 CO 0.67 -3.22 -0.22 0.20 0.23 0.00 0.00 176.35 174.01 3ks1 s ASN 230 N -2.95 2.60 0.20 2.29 0.02 0.74 -0.57 114.94 117.27 3ks1 s ASN 230 Ca 0.66 -0.41 -0.03 0.00 -1.02 0.00 0.00 52.86 52.05 3ks1 s ASN 230 Cb -0.21 -0.44 0.15 0.00 0.02 0.00 0.00 41.25 40.76 3ks1 s ASN 230 CO 0.59 0.25 1.55 -0.26 0.02 0.00 0.00 177.10 179.25 3ks1 h PHE 231 N 5.79 0.75 -4.34 2.20 0.04 -1.07 -3.32 116.94 116.98 3ks1 h PHE 231 Ca -0.37 -0.23 -0.51 0.00 2.80 0.00 0.00 57.97 59.66 3ks1 h PHE 231 Cb 1.15 -0.16 0.09 0.00 2.20 0.00 0.00 35.95 39.23 3ks1 h PHE 231 CO 0.41 0.95 0.38 0.54 -0.60 0.00 0.00 178.31 179.99 3ks1 s ASN 232 N -6.87 5.54 0.59 2.17 4.22 -1.26 -4.32 114.94 115.02 3ks1 s ASN 232 Ca -0.08 1.56 -0.09 0.00 -2.14 0.00 0.00 52.86 52.11 3ks1 s ASN 232 Cb 0.12 -2.47 -0.02 0.00 1.28 0.00 0.00 41.25 40.16 3ks1 s ASN 232 CO 0.84 -1.33 0.95 -0.83 -2.04 0.00 0.00 177.10 174.69 3ks1 s GLY 233 N -3.89 1.60 0.19 0.45 0.00 -1.26 -1.30 107.32 103.10 3ks1 s GLY 233 Ca 0.57 -0.34 -0.33 0.00 0.00 0.00 0.00 44.72 44.62 3ks1 s GLY 233 CO 0.55 -0.08 1.46 -2.21 0.00 0.00 0.00 173.10 172.82 3ks1 n GLU 234 N -2.63 1.95 -0.69 2.90 2.13 -1.26 -1.16 120.64 121.87 3ks1 n GLU 234 Ca 0.04 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.56 3ks1 n GLU 234 Cb 0.55 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.87 3ks1 n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ks1 n GLY 235 N 2.74 0.71 3.69 8.31 0.00 -1.26 -5.06 105.19 114.31 3ks1 n GLY 235 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3ks1 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ks1 s GLU 236 N -0.31 2.45 0.11 1.61 2.02 -0.31 -5.07 118.70 119.19 3ks1 s GLU 236 Ca 0.00 -1.24 -0.36 0.00 0.02 0.00 0.00 54.97 53.39 3ks1 s GLU 236 Cb 0.00 -2.31 -0.16 0.00 0.10 0.00 0.00 34.13 31.76 3ks1 s GLU 236 CO 0.00 0.40 1.36 -2.30 0.02 0.00 0.00 175.26 174.75 3ks1 n PRO 237 N -0.67 1.31 -2.22 0.39 -0.02 -1.26 -4.83 135.00 127.69 3ks1 n PRO 237 Ca -0.08 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.45 3ks1 n PRO 237 Cb 0.57 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 3ks1 n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ks1 s GLU 238 N 0.47 3.40 -0.34 -0.52 2.12 -1.26 -4.71 118.70 117.86 3ks1 s GLU 238 Ca 0.83 1.02 -0.08 0.00 0.36 0.00 0.00 54.97 57.09 3ks1 s GLU 238 Cb -0.90 -4.12 0.03 0.00 0.26 0.00 0.00 34.13 29.40 3ks1 s GLU 238 CO 0.46 -1.78 0.13 -1.21 -0.54 0.00 0.00 175.26 172.32 3ks1 s GLU 239 N 5.37 2.75 0.28 4.30 2.02 -1.26 -5.05 118.70 127.10 3ks1 s GLU 239 Ca 0.67 -1.10 -0.30 0.00 0.02 0.00 0.00 54.97 54.25 3ks1 s GLU 239 Cb -0.16 -3.53 -0.12 0.00 0.10 0.00 0.00 34.13 30.42 3ks1 s GLU 239 CO 0.31 -0.64 1.63 1.28 0.02 0.00 0.00 175.26 177.86 3ks1 n LEU 240 N 4.87 4.32 -4.56 1.80 4.77 -1.26 -0.57 117.00 126.38 3ks1 n LEU 240 Ca -0.13 1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 56.64 3ks1 n LEU 240 Cb 0.45 -1.59 -0.04 0.00 -2.33 0.00 0.00 43.42 39.91 3ks1 n LEU 240 CO 0.33 0.17 1.41 -0.32 -1.33 0.00 0.00 177.39 177.65 3ks1 s MET 241 N -0.19 2.92 0.04 3.23 -2.45 0.26 -4.55 119.30 118.56 3ks1 s MET 241 Ca 0.66 -0.37 -0.03 0.00 -1.25 0.00 0.00 55.69 54.70 3ks1 s MET 241 Cb -0.49 -4.95 -0.02 0.00 1.25 0.00 0.00 34.83 30.62 3ks1 s MET 241 CO 0.45 -2.82 0.03 0.14 1.05 0.00 0.00 175.02 173.88 3ks1 s VAL 242 N 8.03 0.16 -1.33 10.11 -7.23 -1.26 -4.54 120.40 124.33 3ks1 s VAL 242 Ca 0.59 -1.29 -0.05 0.00 -1.81 0.00 0.00 61.98 59.42 3ks1 s VAL 242 Cb -0.06 -0.99 0.02 0.00 0.56 0.00 0.00 36.38 35.91 3ks1 s VAL 242 CO 0.02 -0.71 0.98 0.47 -0.31 0.00 0.00 175.10 175.55 3ks1 n ASP 243 N 0.68 -3.64 -2.28 4.85 8.00 0.37 -4.83 116.55 119.71 3ks1 n ASP 243 Ca -0.18 -0.67 -0.26 0.00 0.71 0.00 0.00 54.79 54.39 3ks1 n ASP 243 Cb 0.59 -4.62 0.01 0.00 -0.02 0.00 0.00 41.12 37.07 3ks1 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ks1 n ASN 244 N -3.02 6.77 -4.46 -2.24 6.94 -1.11 -4.91 115.26 113.23 3ks1 n ASN 244 Ca -0.14 -3.30 -0.32 0.00 -0.02 0.00 0.00 54.58 50.79 3ks1 n ASN 244 Cb 0.61 -1.11 -0.13 0.00 -2.36 0.00 0.00 39.78 36.79 3ks1 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3ks1 s TRP 245 N -2.31 2.62 0.06 -2.53 1.48 -1.26 -4.66 118.94 112.34 3ks1 s TRP 245 Ca 0.49 -0.22 -0.23 0.00 -1.06 0.00 0.00 56.10 55.08 3ks1 s TRP 245 Cb 0.36 -1.56 -0.06 0.00 -1.16 0.00 0.00 33.47 31.04 3ks1 s TRP 245 CO -0.13 0.19 0.69 0.50 -4.06 0.00 0.00 176.95 174.14 3ks1 s ARG 246 N -0.97 4.42 0.90 3.25 3.52 -1.26 -4.97 118.95 123.84 3ks1 s ARG 246 Ca 0.13 0.94 -0.12 0.00 -0.13 0.00 0.00 55.73 56.55 3ks1 s ARG 246 Cb -0.11 -3.32 0.13 0.00 -1.56 0.00 0.00 34.95 30.10 3ks1 s ARG 246 CO 0.02 0.42 1.10 -1.25 -0.81 0.00 0.00 175.30 174.78 3ks1 s PRO 247 N -0.46 1.22 0.27 5.12 0.05 -1.26 -4.61 135.00 135.32 3ks1 s PRO 247 Ca 0.34 0.62 -0.30 0.00 0.05 0.00 0.00 61.00 61.72 3ks1 s PRO 247 Cb -0.20 -1.82 -0.13 0.00 0.05 0.00 0.00 34.50 32.40 3ks1 s PRO 247 CO 0.21 -2.22 1.39 0.00 0.05 0.00 0.00 177.00 176.43 3ks1 n ALA 248 N -3.84 1.27 -2.56 8.56 0.00 -1.26 -4.33 120.51 118.36 3ks1 n ALA 248 Ca 0.06 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.69 3ks1 n ALA 248 Cb 0.57 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 3ks1 n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ks1 s GLN 249 N -0.79 2.75 0.28 0.00 -1.52 0.67 -4.94 119.66 116.10 3ks1 s GLN 249 Ca 0.64 -1.26 -0.30 0.00 -1.95 0.00 0.00 55.36 52.49 3ks1 s GLN 249 Cb -0.62 -2.48 -0.11 0.00 -0.22 0.00 0.00 33.01 29.58 3ks1 s GLN 249 CO 0.53 0.15 1.52 -2.14 -0.25 0.00 0.00 175.29 175.09 3ks1 s PRO 250 N -3.97 4.19 0.27 2.91 0.02 -1.26 -4.58 135.00 132.58 3ks1 s PRO 250 Ca 0.39 2.45 0.01 0.00 0.02 0.00 0.00 61.00 63.87 3ks1 s PRO 250 Cb -0.06 -3.06 0.37 0.00 0.02 0.00 0.00 34.50 31.77 3ks1 s PRO 250 CO 0.26 -0.53 1.71 1.25 -0.33 0.00 0.00 177.00 179.37 3ks1 h LEU 251 N 4.85 0.56 0.00 -5.54 5.85 -1.94 -3.43 115.31 115.66 3ks1 h LEU 251 Ca -0.47 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.07 3ks1 h LEU 251 Cb 1.22 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3ks1 h LEU 251 CO 0.78 0.78 0.00 0.29 -0.34 0.00 0.00 178.44 179.95 3ks1 n LYS 252 N -4.13 0.00 -1.71 1.25 5.02 -1.26 -3.18 118.16 114.14 3ks1 n LYS 252 Ca -0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3ks1 n LYS 252 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.39 3ks1 n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ks1 n ASN 253 N 1.56 8.09 -4.01 4.39 5.15 -1.26 -4.89 115.26 124.29 3ks1 n ASN 253 Ca 0.00 -2.89 -0.14 0.00 -0.60 0.00 0.00 54.58 50.95 3ks1 n ASN 253 Cb 0.00 -1.46 -0.13 0.00 -0.53 0.00 0.00 39.78 37.66 3ks1 n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3ks1 s ARG 254 N 0.44 0.47 -0.10 1.20 0.52 -1.19 -5.10 118.95 115.19 3ks1 s ARG 254 Ca 0.60 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.33 3ks1 s ARG 254 Cb 0.18 -0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.30 3ks1 s ARG 254 CO -0.08 0.07 -0.13 -0.65 0.02 0.00 0.00 175.30 174.54 3ks1 s GLN 255 N -0.93 3.02 -0.10 3.54 -0.21 -1.26 -5.04 119.66 118.69 3ks1 s GLN 255 Ca -0.05 -0.68 -0.16 0.00 0.02 0.00 0.00 55.36 54.49 3ks1 s GLN 255 Cb -0.06 -2.54 -0.05 0.00 1.00 0.00 0.00 33.01 31.36 3ks1 s GLN 255 CO 0.00 0.39 0.40 0.42 -2.12 0.00 0.00 175.29 174.39 3ks1 s ILE 256 N -0.12 5.18 0.06 1.08 1.01 -1.26 -4.69 121.20 122.45 3ks1 s ILE 256 Ca -0.01 0.80 0.04 0.00 0.00 0.00 0.00 60.65 61.48 3ks1 s ILE 256 Cb -0.14 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3ks1 s ILE 256 CO 0.03 0.42 -0.01 -0.54 0.00 0.00 0.00 174.94 174.84 3ks1 s LYS 257 N 0.10 2.60 -0.05 2.79 1.02 -0.37 -1.91 119.74 123.92 3ks1 s LYS 257 Ca 0.23 -0.77 0.04 0.00 0.02 0.00 0.00 55.97 55.49 3ks1 s LYS 257 Cb -0.15 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 3ks1 s LYS 257 CO 0.09 0.57 -0.16 0.00 -0.92 0.00 0.00 175.35 174.93 3ks1 s ALA 258 N -1.21 2.59 -1.81 5.17 0.00 0.37 -0.75 121.76 126.13 3ks1 s ALA 258 Ca 0.23 -1.00 0.29 0.00 0.00 0.00 0.00 51.96 51.49 3ks1 s ALA 258 Cb -0.12 -0.91 1.33 0.00 0.00 0.00 0.00 23.12 23.42 3ks1 s ALA 258 CO 0.15 0.55 1.91 -1.13 0.00 0.00 0.00 175.76 177.24 3ks1 n SER 259 N 2.34 0.51 -3.98 0.00 3.41 -0.08 -1.35 113.62 114.47 3ks1 n SER 259 Ca -0.17 -0.75 -0.09 0.00 -0.26 0.00 0.00 58.87 57.60 3ks1 n SER 259 Cb 0.52 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.30 3ks1 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3ks1 s PHE 260 N -2.34 0.28 -2.64 7.33 -0.71 -1.26 -4.89 117.98 113.75 3ks1 s PHE 260 Ca 0.33 -0.57 0.27 0.00 -1.04 0.00 0.00 56.93 55.92 3ks1 s PHE 260 Cb 0.20 -0.20 0.81 0.00 -1.21 0.00 0.00 43.02 42.62 3ks1 s PHE 260 CO 0.44 -0.23 1.61 1.63 -1.34 0.00 0.00 175.22 177.33