#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwa s TRP 5 N 0.00 2.40 0.00 4.41 1.48 -1.26 -4.87 118.94 121.10 3kwa s TRP 5 Ca 0.00 1.38 0.00 0.00 -1.06 0.00 0.00 56.10 56.42 3kwa s TRP 5 Cb 0.00 -3.76 0.00 0.00 -1.16 0.00 0.00 33.47 28.55 3kwa s TRP 5 CO 0.00 -2.70 0.00 0.41 -4.06 0.00 0.00 176.95 170.60 3kwa n GLY 6 N 0.67 4.10 0.00 3.67 0.00 0.50 -5.02 105.19 109.11 3kwa n GLY 6 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3kwa n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kwa n TYR 7 N 0.00 0.00 -1.94 1.61 4.02 -1.26 -3.85 117.16 115.73 3kwa n TYR 7 Ca 0.00 -0.20 -0.30 0.00 -0.01 0.00 0.00 57.90 57.39 3kwa n TYR 7 Cb 0.00 -0.02 0.18 0.00 -0.02 0.00 0.00 39.34 39.48 3kwa n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3kwa s GLY 8 N -0.40 1.77 0.32 2.72 0.00 -1.26 -4.69 107.32 105.79 3kwa s GLY 8 Ca 0.00 -1.19 0.07 0.00 0.00 0.00 0.00 44.72 43.60 3kwa s GLY 8 CO 0.00 -0.44 1.60 1.70 0.00 0.00 0.00 173.10 175.97 3kwa h LYS 9 N -1.59 0.09 0.00 2.90 1.63 -1.98 -1.51 116.57 116.11 3kwa h LYS 9 Ca -0.44 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 3kwa h LYS 9 Cb 1.24 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 3kwa h LYS 9 CO 0.39 0.06 -1.40 0.72 -3.45 0.00 0.00 179.45 175.77 3kwa n HIS 10 N -5.32 0.02 -1.01 1.91 8.25 -1.26 -4.32 115.22 113.49 3kwa n HIS 10 Ca 0.27 0.01 0.01 0.00 -0.26 0.00 0.00 57.72 57.74 3kwa n HIS 10 Cb 0.87 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.75 3kwa n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3kwa n ASN 11 N -1.85 0.58 -4.07 0.41 6.94 -1.20 -4.93 115.26 111.14 3kwa n ASN 11 Ca 0.01 -1.56 -0.30 0.00 -0.02 0.00 0.00 54.58 52.70 3kwa n ASN 11 Cb 0.44 -0.07 0.20 0.00 -2.36 0.00 0.00 39.78 37.98 3kwa n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3kwa s GLY 12 N -0.62 1.75 0.48 4.83 0.00 -0.57 -0.37 107.32 112.81 3kwa s GLY 12 Ca 0.02 -1.16 0.39 0.00 0.00 0.00 0.00 44.72 43.97 3kwa s GLY 12 CO 0.00 -0.37 1.56 -1.05 0.00 0.00 0.00 173.10 173.24 3kwa n PRO 13 N -3.95 -0.02 0.25 2.90 -0.02 -1.26 0.12 135.00 133.02 3kwa n PRO 13 Ca 0.15 1.19 0.10 0.00 -2.02 0.00 0.00 63.50 62.92 3kwa n PRO 13 Cb 0.59 -2.48 0.64 0.00 -0.02 0.00 0.00 33.50 32.23 3kwa n PRO 13 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3kwa h GLU 14 N 0.00 0.00 0.00 -0.52 9.09 -1.93 -3.25 114.58 117.97 3kwa h GLU 14 Ca 0.90 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.31 3kwa h GLU 14 Cb 3.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 30.27 3kwa h GLU 14 CO -0.31 0.15 -1.36 0.72 0.05 0.00 0.00 179.01 178.26 3kwa n HIS 15 N -3.90 0.25 0.26 2.06 8.25 0.12 -4.63 115.22 117.63 3kwa n HIS 15 Ca -0.02 0.07 0.12 0.00 -0.26 0.00 0.00 57.72 57.63 3kwa n HIS 15 Cb 0.25 -0.49 0.69 0.00 1.12 0.00 0.00 29.99 31.56 3kwa n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3kwa h TRP 16 N 0.00 0.00 -0.03 4.41 6.55 -1.58 -2.34 115.95 122.96 3kwa h TRP 16 Ca 0.00 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.85 3kwa h TRP 16 Cb 0.84 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.14 3kwa h TRP 16 CO 0.00 0.13 0.15 1.12 -1.05 0.00 0.00 178.44 178.79 3kwa h HIS 17 N 0.00 0.00 0.18 0.49 2.07 -1.82 0.54 115.15 116.60 3kwa h HIS 17 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3kwa h HIS 17 Cb 0.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.34 3kwa h HIS 17 CO 0.00 0.00 -0.09 0.87 -3.07 0.00 0.00 177.93 175.64 3kwa h LYS 18 N 0.00 -0.23 0.00 5.12 1.57 -1.78 -3.04 116.57 118.21 3kwa h LYS 18 Ca 0.02 0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3kwa h LYS 18 Cb 0.31 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3kwa h LYS 18 CO -0.00 0.16 -0.80 -0.44 -0.57 0.00 0.00 179.45 177.80 3kwa h ASP 19 N -0.71 0.00 -3.51 0.86 3.32 -1.73 -3.42 116.42 111.23 3kwa h ASP 19 Ca -0.02 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.41 3kwa h ASP 19 Cb 0.50 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.65 3kwa h ASP 19 CO 0.04 0.75 -0.72 -0.36 -1.72 0.00 0.00 179.24 177.23 3kwa s PHE 20 N -2.83 2.23 0.54 4.55 0.08 0.16 -4.98 117.98 117.73 3kwa s PHE 20 Ca 0.02 -2.60 0.27 0.00 0.12 0.00 0.00 56.93 54.74 3kwa s PHE 20 Cb 0.09 -2.02 1.43 0.00 -0.57 0.00 0.00 43.02 41.95 3kwa s PHE 20 CO 0.78 -0.76 1.98 -1.35 -0.10 0.00 0.00 175.22 175.78 3kwa h PRO 21 N 6.51 0.00 0.00 0.24 0.11 -1.77 -0.15 132.00 136.94 3kwa h PRO 21 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3kwa h PRO 21 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3kwa h PRO 21 CO 0.52 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.82 3kwa n ILE 22 N -4.26 1.88 0.28 4.15 3.06 -1.26 -2.39 119.36 120.82 3kwa n ILE 22 Ca 0.10 0.48 0.18 0.00 -2.50 0.00 0.00 62.75 61.02 3kwa n ILE 22 Cb 0.63 -1.46 0.94 0.00 0.54 0.00 0.00 39.64 40.30 3kwa n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kwa h ALA 23 N 2.05 1.43 -0.07 1.51 0.00 -1.33 0.52 119.26 123.37 3kwa h ALA 23 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kwa h ALA 23 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kwa h ALA 23 CO 0.00 -0.22 -0.29 1.63 0.00 0.00 0.00 179.25 180.37 3kwa n LYS 24 N -3.32 1.62 0.00 0.00 5.02 -1.01 -4.94 118.16 115.54 3kwa n LYS 24 Ca -0.01 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.18 3kwa n LYS 24 Cb 0.27 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3kwa n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwa n GLY 25 N -1.16 -2.14 0.12 0.72 0.00 0.18 -5.00 105.19 97.91 3kwa n GLY 25 Ca 0.21 -1.49 0.04 0.00 0.00 0.00 0.00 46.02 44.78 3kwa n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kwa h GLU 26 N 0.00 0.00 -2.07 1.61 4.39 -1.98 -3.38 114.58 113.15 3kwa h GLU 26 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 3kwa h GLU 26 Cb 0.00 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.25 3kwa h GLU 26 CO 0.00 0.29 -1.03 2.89 -1.16 0.00 0.00 179.01 180.01 3kwa n ARG 27 N -2.99 1.43 -3.30 2.33 1.85 -1.26 -4.81 116.66 109.91 3kwa n ARG 27 Ca -0.03 -3.71 -0.33 0.00 -1.00 0.00 0.00 57.85 52.78 3kwa n ARG 27 Cb 0.73 -1.72 -0.06 0.00 -1.05 0.00 0.00 32.46 30.36 3kwa n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3kwa s GLN 28 N -2.30 3.93 0.14 2.89 -1.52 -1.26 -2.68 119.66 118.87 3kwa s GLN 28 Ca 0.40 0.48 0.07 0.00 -1.95 0.00 0.00 55.36 54.37 3kwa s GLN 28 Cb 0.28 -2.66 -0.04 0.00 -0.22 0.00 0.00 33.01 30.36 3kwa s GLN 28 CO -0.09 0.31 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.98 3kwa s SER 29 N -2.14 2.33 0.93 5.90 0.01 -1.26 -4.65 113.70 114.82 3kwa s SER 29 Ca 0.47 -0.84 -0.14 0.00 1.31 0.00 0.00 55.95 56.75 3kwa s SER 29 Cb -0.12 -0.11 0.19 0.00 0.21 0.00 0.00 66.02 66.19 3kwa s SER 29 CO 0.20 -0.10 1.28 -2.16 0.41 0.00 0.00 173.24 172.87 3kwa s PRO 30 N -2.77 0.75 0.18 12.44 0.04 -1.26 -4.61 135.00 139.76 3kwa s PRO 30 Ca 0.13 -0.54 0.01 0.00 0.04 0.00 0.00 61.00 60.64 3kwa s PRO 30 Cb -0.05 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3kwa s PRO 30 CO 0.05 -2.30 0.02 0.14 0.04 0.00 0.00 177.00 174.95 3kwa s VAL 31 N -3.79 0.61 0.10 -0.36 -7.23 -1.26 0.63 120.40 109.10 3kwa s VAL 31 Ca 0.73 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 3kwa s VAL 31 Cb -0.04 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.68 3kwa s VAL 31 CO 0.52 -0.43 1.04 -0.62 -0.31 0.00 0.00 175.10 175.30 3kwa s ASP 32 N -3.17 7.34 -0.57 4.85 3.68 -1.26 -3.06 116.67 124.47 3kwa s ASP 32 Ca 0.25 1.89 -0.18 0.00 2.13 0.00 0.00 52.55 56.65 3kwa s ASP 32 Cb 0.06 -2.59 0.12 0.00 -1.45 0.00 0.00 42.92 39.06 3kwa s ASP 32 CO 0.05 -0.21 0.62 -0.63 0.13 0.00 0.00 175.17 175.12 3kwa s ILE 33 N 0.28 4.99 -0.61 4.11 1.01 0.13 -4.93 121.20 126.19 3kwa s ILE 33 Ca 0.50 -1.23 -0.28 0.00 0.00 0.00 0.00 60.65 59.65 3kwa s ILE 33 Cb -0.26 -4.43 0.03 0.00 0.01 0.00 0.00 42.46 37.81 3kwa s ILE 33 CO 0.31 -1.02 1.26 -0.62 0.00 0.00 0.00 174.94 174.86 3kwa s ASP 34 N 3.61 6.33 0.39 3.58 2.15 -1.26 -1.95 116.67 129.52 3kwa s ASP 34 Ca 0.08 0.03 0.10 0.00 0.43 0.00 0.00 52.55 53.19 3kwa s ASP 34 Cb -0.27 -2.55 0.88 0.00 -0.30 0.00 0.00 42.92 40.68 3kwa s ASP 34 CO 0.05 -1.60 1.95 0.71 -0.17 0.00 0.00 175.17 176.11 3kwa h THR 35 N 6.18 0.93 0.00 1.71 1.35 -1.95 -0.58 112.91 120.55 3kwa h THR 35 Ca -0.26 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3kwa h THR 35 Cb 1.06 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3kwa h THR 35 CO 1.20 0.11 0.00 0.45 -0.25 0.00 0.00 175.52 177.03 3kwa h HIS 36 N 0.59 0.00 0.00 4.73 3.86 -2.03 -3.24 115.15 119.05 3kwa h HIS 36 Ca 0.32 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.45 3kwa h HIS 36 Cb 0.47 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 3kwa h HIS 36 CO -0.00 0.00 -1.94 2.41 0.86 0.00 0.00 177.93 179.26 3kwa n THR 37 N -2.54 0.40 -2.24 2.45 -1.04 -0.25 -4.95 114.28 106.11 3kwa n THR 37 Ca 0.03 -0.59 -0.41 0.00 -2.04 0.00 0.00 64.05 61.04 3kwa n THR 37 Cb 0.36 -0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 68.67 3kwa n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kwa s ALA 38 N -3.27 3.51 -0.19 2.41 0.00 -1.03 -4.88 121.76 118.31 3kwa s ALA 38 Ca -0.07 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.80 3kwa s ALA 38 Cb 0.12 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3kwa s ALA 38 CO 0.88 -0.52 0.39 0.15 0.00 0.00 0.00 175.76 176.66 3kwa s LYS 39 N 0.04 4.19 0.19 0.00 -0.14 -1.07 -4.77 119.74 118.18 3kwa s LYS 39 Ca 0.57 0.20 -0.33 0.00 -1.36 0.00 0.00 55.97 55.05 3kwa s LYS 39 Cb -0.36 -3.52 -0.13 0.00 -1.68 0.00 0.00 37.83 32.14 3kwa s LYS 39 CO 0.37 -0.00 1.64 0.98 -0.76 0.00 0.00 175.35 177.57 3kwa n TYR 40 N 4.35 2.50 -3.95 3.18 4.19 -1.26 -0.61 117.16 125.57 3kwa n TYR 40 Ca -0.09 0.17 -0.34 0.00 3.31 0.00 0.00 57.90 60.96 3kwa n TYR 40 Cb 0.51 -2.60 -0.14 0.00 0.49 0.00 0.00 39.34 37.60 3kwa n TYR 40 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3kwa s ASP 41 N 0.99 4.81 0.18 2.98 3.68 -0.25 -4.84 116.67 124.22 3kwa s ASP 41 Ca 0.76 -1.50 0.24 0.00 2.13 0.00 0.00 52.55 54.18 3kwa s ASP 41 Cb -0.60 -1.68 0.91 0.00 -1.45 0.00 0.00 42.92 40.11 3kwa s ASP 41 CO 0.36 -0.29 1.74 -0.81 0.13 0.00 0.00 175.17 176.30 3kwa n PRO 42 N 4.53 0.17 -0.10 4.34 -0.05 -1.26 -3.27 135.00 139.37 3kwa n PRO 42 Ca -0.10 0.27 0.01 0.00 -0.05 0.00 0.00 63.50 63.63 3kwa n PRO 42 Cb 0.43 -1.76 0.05 0.00 -0.05 0.00 0.00 33.50 32.17 3kwa n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3kwa n SER 43 N -2.07 1.17 -4.56 3.54 3.41 -1.26 -4.85 113.62 109.00 3kwa n SER 43 Ca 0.04 -2.07 -0.34 0.00 -0.26 0.00 0.00 58.87 56.24 3kwa n SER 43 Cb 0.31 -0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 3kwa n SER 43 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3kwa s LEU 44 N -0.68 3.47 0.77 1.04 2.96 -1.20 -5.02 118.68 120.01 3kwa s LEU 44 Ca 0.08 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.83 3kwa s LEU 44 Cb 0.05 -1.85 0.05 0.00 0.50 0.00 0.00 46.19 44.94 3kwa s LEU 44 CO 0.04 0.18 1.09 -0.54 -1.32 0.00 0.00 176.35 175.80 3kwa s LYS 45 N 0.29 2.34 0.75 1.98 1.02 -1.10 -4.89 119.74 120.13 3kwa s LYS 45 Ca -0.01 0.66 -0.15 0.00 0.02 0.00 0.00 55.97 56.49 3kwa s LYS 45 Cb -0.13 -1.95 0.04 0.00 -0.52 0.00 0.00 37.83 35.27 3kwa s LYS 45 CO 0.02 -1.45 1.19 -2.30 -0.92 0.00 0.00 175.35 171.89 3kwa n PRO 46 N -3.32 0.50 -3.16 -1.68 -0.02 -1.26 -2.52 135.00 123.54 3kwa n PRO 46 Ca 0.07 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.42 3kwa n PRO 46 Cb 0.56 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 3kwa n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kwa s LEU 47 N -4.86 4.45 -0.23 2.45 0.20 -1.26 -0.81 118.68 118.62 3kwa s LEU 47 Ca 0.76 1.38 0.01 0.00 0.69 0.00 0.00 54.13 56.97 3kwa s LEU 47 Cb -0.32 -3.29 0.06 0.00 -0.43 0.00 0.00 46.19 42.20 3kwa s LEU 47 CO 0.48 0.15 -0.07 -0.55 -0.29 0.00 0.00 176.35 176.07 3kwa s SER 48 N -1.41 3.87 -0.32 3.68 0.15 0.17 -4.92 113.70 114.93 3kwa s SER 48 Ca 0.37 -1.17 -0.03 0.00 0.70 0.00 0.00 55.95 55.82 3kwa s SER 48 Cb -0.19 -1.24 0.05 0.00 -1.71 0.00 0.00 66.02 62.94 3kwa s SER 48 CO 0.21 -0.22 0.05 -0.69 1.20 0.00 0.00 173.24 173.79 3kwa s VAL 49 N 1.35 3.26 -0.62 4.45 1.01 -1.26 -0.64 120.40 127.95 3kwa s VAL 49 Ca -0.06 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 60.58 3kwa s VAL 49 Cb -0.19 -2.89 0.16 0.00 0.00 0.00 0.00 36.38 33.46 3kwa s VAL 49 CO -0.06 -0.17 0.41 -0.44 0.00 0.00 0.00 175.10 174.83 3kwa s SER 50 N 1.34 4.89 -0.25 3.32 0.01 -0.70 -4.87 113.70 117.44 3kwa s SER 50 Ca -0.03 -3.10 0.12 0.00 1.31 0.00 0.00 55.95 54.25 3kwa s SER 50 Cb -0.20 -1.75 0.52 0.00 0.21 0.00 0.00 66.02 64.80 3kwa s SER 50 CO -0.00 -0.27 1.46 -1.22 0.41 0.00 0.00 173.24 173.62 3kwa n TYR 51 N 3.08 1.10 -0.06 2.43 0.53 -1.26 -1.98 117.16 121.00 3kwa n TYR 51 Ca 0.09 -1.28 -0.13 0.00 -1.02 0.00 0.00 57.90 55.56 3kwa n TYR 51 Cb 0.35 -0.43 -0.01 0.00 -1.03 0.00 0.00 39.34 38.22 3kwa n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3kwa h ASP 52 N 1.34 0.88 -0.48 7.72 2.03 -1.90 -3.29 116.42 122.73 3kwa h ASP 52 Ca 0.14 -0.47 -0.16 0.00 -0.73 0.00 0.00 57.03 55.81 3kwa h ASP 52 Cb 1.61 -0.25 -0.10 0.00 -0.83 0.00 0.00 39.33 39.76 3kwa h ASP 52 CO 0.34 1.25 0.10 1.67 -1.03 0.00 0.00 179.24 181.57 3kwa n GLN 53 N -4.00 2.70 -1.71 4.15 -0.06 -1.20 -5.01 117.38 112.26 3kwa n GLN 53 Ca -0.04 -3.04 -0.43 0.00 -2.00 0.00 0.00 57.00 51.49 3kwa n GLN 53 Cb 0.62 -1.96 -0.02 0.00 -4.06 0.00 0.00 30.24 24.81 3kwa n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3kwa n ALA 54 N -0.69 1.86 -3.93 1.69 0.00 -1.24 -4.58 120.51 113.63 3kwa n ALA 54 Ca 0.34 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.86 3kwa n ALA 54 Cb 1.14 -2.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 3kwa n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kwa s THR 55 N 0.11 2.70 0.52 0.00 2.01 -1.26 -4.90 115.64 114.82 3kwa s THR 55 Ca 0.68 -3.11 -0.19 0.00 0.31 0.00 0.00 61.69 59.38 3kwa s THR 55 Cb -0.58 -2.87 -0.07 0.00 0.01 0.00 0.00 72.50 68.99 3kwa s THR 55 CO 0.47 -0.78 1.04 -0.94 -0.69 0.00 0.00 174.62 173.73 3kwa s SER 56 N 0.06 6.18 -0.02 3.53 1.04 -1.26 0.67 113.70 123.89 3kwa s SER 56 Ca 0.16 1.89 -0.00 0.00 0.48 0.00 0.00 55.95 58.48 3kwa s SER 56 Cb -0.24 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.32 3kwa s SER 56 CO -0.02 -0.90 -0.02 0.18 0.98 0.00 0.00 173.24 173.47 3kwa n LEU 57 N -1.30 2.59 -3.57 2.42 4.77 0.15 -4.02 117.00 118.04 3kwa n LEU 57 Ca 0.09 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.99 3kwa n LEU 57 Cb 0.53 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 3kwa n LEU 57 CO 0.42 0.46 0.87 0.00 -1.33 0.00 0.00 177.39 177.81 3kwa s ARG 58 N -2.04 0.50 -0.12 3.23 1.04 -1.17 -2.50 118.95 117.88 3kwa s ARG 58 Ca -0.03 -0.04 -0.01 0.00 -1.04 0.00 0.00 55.73 54.62 3kwa s ARG 58 Cb 0.01 0.23 -0.02 0.00 -2.04 0.00 0.00 34.95 33.13 3kwa s ARG 58 CO 0.04 -0.19 -0.10 -1.50 -0.04 0.00 0.00 175.30 173.52 3kwa s ILE 59 N -1.88 3.38 -0.05 4.99 2.07 -0.24 -1.07 121.20 128.41 3kwa s ILE 59 Ca 0.04 -0.55 0.04 0.00 -1.41 0.00 0.00 60.65 58.76 3kwa s ILE 59 Cb -0.01 -2.43 0.00 0.00 0.13 0.00 0.00 42.46 40.15 3kwa s ILE 59 CO -0.04 0.53 -0.16 -0.22 -1.91 0.00 0.00 174.94 173.14 3kwa s LEU 60 N 0.13 1.87 -0.57 8.50 2.96 -0.46 -0.94 118.68 130.17 3kwa s LEU 60 Ca -0.04 -0.34 -0.20 0.00 -0.22 0.00 0.00 54.13 53.32 3kwa s LEU 60 Cb -0.14 -0.94 0.07 0.00 0.50 0.00 0.00 46.19 45.68 3kwa s LEU 60 CO 0.04 0.13 0.76 0.21 -1.32 0.00 0.00 176.35 176.17 3kwa s ASN 61 N 0.17 6.21 -0.06 3.68 3.84 0.08 -0.31 114.94 128.57 3kwa s ASN 61 Ca -0.06 -1.02 0.11 0.00 0.21 0.00 0.00 52.86 52.09 3kwa s ASN 61 Cb -0.12 -2.34 0.41 0.00 -0.55 0.00 0.00 41.25 38.65 3kwa s ASN 61 CO 0.03 -1.12 1.26 -0.46 -2.79 0.00 0.00 177.10 174.02 3kwa n ASN 62 N 6.70 2.86 0.00 -4.21 0.23 -0.92 -0.03 115.26 119.89 3kwa n ASN 62 Ca -0.06 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.76 3kwa n ASN 62 Cb 0.45 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 3kwa n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kwa n GLY 63 N 0.81 0.65 0.00 4.83 0.00 -1.26 -4.72 105.19 105.50 3kwa n GLY 63 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3kwa n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kwa n HIS 64 N -2.37 0.00 -3.86 1.61 1.44 -1.26 -4.72 115.22 106.07 3kwa n HIS 64 Ca 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.66 3kwa n HIS 64 Cb 0.04 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.17 3kwa n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3kwa n ALA 65 N -0.98 -2.38 -2.67 1.59 0.00 -1.26 -4.87 120.51 109.94 3kwa n ALA 65 Ca 0.00 -1.08 -0.33 0.00 0.00 0.00 0.00 53.44 52.03 3kwa n ALA 65 Cb 0.06 0.69 -0.13 0.00 0.00 0.00 0.00 19.45 20.07 3kwa n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3kwa s PHE 66 N -2.22 2.82 -0.21 0.00 -0.12 -1.26 -2.16 117.98 114.84 3kwa s PHE 66 Ca 0.20 -0.22 -0.09 0.00 -0.05 0.00 0.00 56.93 56.78 3kwa s PHE 66 Cb -0.03 -1.72 -0.04 0.00 -0.63 0.00 0.00 43.02 40.59 3kwa s PHE 66 CO 0.07 0.13 0.11 -0.80 -0.05 0.00 0.00 175.22 174.68 3kwa s ASN 67 N -0.44 5.85 -0.27 1.98 0.02 0.58 -4.28 114.94 118.38 3kwa s ASN 67 Ca 0.06 0.09 -0.18 0.00 -1.02 0.00 0.00 52.86 51.80 3kwa s ASN 67 Cb -0.12 -2.03 -0.02 0.00 0.02 0.00 0.00 41.25 39.10 3kwa s ASN 67 CO 0.02 0.12 0.54 -0.69 0.02 0.00 0.00 177.10 177.11 3kwa s VAL 68 N 0.72 5.04 -0.14 1.60 1.01 0.63 -1.36 120.40 127.91 3kwa s VAL 68 Ca 0.06 0.88 -0.06 0.00 0.00 0.00 0.00 61.98 62.86 3kwa s VAL 68 Cb -0.13 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3kwa s VAL 68 CO 0.02 0.04 0.06 -1.61 0.00 0.00 0.00 175.10 173.61 3kwa s GLU 69 N 2.37 3.57 0.18 2.72 2.02 -0.23 -0.88 118.70 128.45 3kwa s GLU 69 Ca 0.22 -0.32 0.08 0.00 0.02 0.00 0.00 54.97 54.97 3kwa s GLU 69 Cb -0.16 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 3kwa s GLU 69 CO 0.10 0.51 -0.04 -0.06 0.02 0.00 0.00 175.26 175.78 3kwa s PHE 70 N -0.29 2.75 -0.31 1.61 0.40 -0.31 0.33 117.98 122.15 3kwa s PHE 70 Ca 0.08 -0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 55.95 3kwa s PHE 70 Cb -0.12 -1.33 0.01 0.00 0.51 0.00 0.00 43.02 42.09 3kwa s PHE 70 CO 0.02 0.52 1.23 0.34 0.70 0.00 0.00 175.22 178.03 3kwa s ASP 71 N -2.93 6.74 -0.14 1.36 2.15 0.21 -4.86 116.67 119.21 3kwa s ASP 71 Ca 0.27 1.13 0.17 0.00 0.43 0.00 0.00 52.55 54.55 3kwa s ASP 71 Cb -0.09 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.36 3kwa s ASP 71 CO 0.17 -1.04 1.25 -0.90 -0.17 0.00 0.00 175.17 174.49 3kwa n ASP 72 N 7.43 2.96 -0.97 -0.34 3.85 -1.26 -4.66 116.55 123.57 3kwa n ASP 72 Ca 0.14 -2.96 0.11 0.00 -0.71 0.00 0.00 54.79 51.37 3kwa n ASP 72 Cb 0.47 -0.45 0.26 0.00 -1.35 0.00 0.00 41.12 40.05 3kwa n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3kwa n SER 73 N -0.95 2.90 -4.19 -1.12 3.41 -1.26 -4.82 113.62 107.59 3kwa n SER 73 Ca 0.17 -1.91 -0.11 0.00 -0.26 0.00 0.00 58.87 56.75 3kwa n SER 73 Cb 0.71 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 3kwa n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kwa s GLN 74 N -1.61 0.99 -0.94 4.33 -0.21 -1.26 -5.08 119.66 115.87 3kwa s GLN 74 Ca 0.36 -1.46 -0.24 0.00 0.02 0.00 0.00 55.36 54.04 3kwa s GLN 74 Cb 0.21 -0.04 0.00 0.00 1.00 0.00 0.00 33.01 34.18 3kwa s GLN 74 CO 0.30 -0.17 1.69 -0.51 -2.12 0.00 0.00 175.29 174.48 3kwa s ASP 75 N -3.10 5.82 -0.04 5.90 1.11 -1.26 -4.69 116.67 120.42 3kwa s ASP 75 Ca 0.22 -1.01 -0.02 0.00 0.18 0.00 0.00 52.55 51.93 3kwa s ASP 75 Cb 0.07 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.48 3kwa s ASP 75 CO 0.02 -2.12 -0.04 0.29 1.18 0.00 0.00 175.17 174.49 3kwa n LYS 76 N 8.90 0.08 -3.97 8.23 5.02 -1.26 -4.96 118.16 130.19 3kwa n LYS 76 Ca 0.35 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.37 3kwa n LYS 76 Cb 0.49 -0.69 -0.16 0.00 -0.02 0.00 0.00 35.03 34.65 3kwa n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kwa s ALA 77 N -2.07 1.90 0.00 7.82 0.00 -1.26 -3.26 121.76 124.90 3kwa s ALA 77 Ca -0.05 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 3kwa s ALA 77 Cb 0.02 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.86 3kwa s ALA 77 CO 0.07 -0.86 0.01 0.14 0.00 0.00 0.00 175.76 175.11 3kwa s VAL 78 N 1.44 0.04 -0.11 0.00 -7.23 -0.84 0.47 120.40 114.16 3kwa s VAL 78 Ca -0.02 -0.32 -0.04 0.00 -1.81 0.00 0.00 61.98 59.79 3kwa s VAL 78 Cb -0.16 -0.12 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 3kwa s VAL 78 CO -0.08 -0.18 0.06 -0.76 -0.31 0.00 0.00 175.10 173.83 3kwa s LEU 79 N -0.52 3.87 0.08 1.32 1.43 0.71 -1.73 118.68 123.86 3kwa s LEU 79 Ca -0.06 0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.23 3kwa s LEU 79 Cb -0.04 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3kwa s LEU 79 CO -0.00 0.35 0.10 -0.54 0.23 0.00 0.00 176.35 176.48 3kwa s LYS 80 N -0.68 0.79 0.69 1.70 1.02 0.19 -2.03 119.74 121.42 3kwa s LYS 80 Ca 0.12 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.97 3kwa s LYS 80 Cb -0.12 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 3kwa s LYS 80 CO 0.02 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 3kwa n GLY 81 N -0.01 -2.14 7.00 -3.33 0.00 -1.26 0.42 105.19 105.87 3kwa n GLY 81 Ca -0.13 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3kwa n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwa n GLY 82 N -0.35 3.02 0.14 -0.02 0.00 0.01 -2.08 105.19 105.91 3kwa n GLY 82 Ca 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 45.97 3kwa n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kwa n PRO 83 N 13.12 1.16 -3.67 1.61 -0.04 -1.26 -2.71 135.00 143.20 3kwa n PRO 83 Ca 0.00 -0.28 -0.37 0.00 -0.04 0.00 0.00 63.50 62.80 3kwa n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3kwa n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kwa s LEU 84 N -2.04 4.42 -0.21 1.53 1.43 -0.88 -5.07 118.68 117.86 3kwa s LEU 84 Ca 0.44 0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 54.15 3kwa s LEU 84 Cb 0.22 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 3kwa s LEU 84 CO 0.37 0.35 0.11 -1.81 0.23 0.00 0.00 176.35 175.60 3kwa s ASP 85 N -0.94 5.93 0.04 2.29 -0.00 -1.26 -4.03 116.67 118.70 3kwa s ASP 85 Ca 0.19 0.12 0.00 0.00 -0.00 0.00 0.00 52.55 52.86 3kwa s ASP 85 Cb -0.14 -2.04 0.00 0.00 -0.00 0.00 0.00 42.92 40.73 3kwa s ASP 85 CO 0.08 0.13 0.00 0.61 -0.00 0.00 0.00 175.17 176.00 3kwa n GLY 86 N 3.83 -0.55 3.32 0.21 0.00 -1.26 -4.90 105.19 105.85 3kwa n GLY 86 Ca -0.16 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 3kwa n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kwa s THR 87 N 0.00 2.28 -0.11 2.61 2.01 -1.26 -4.49 115.64 116.68 3kwa s THR 87 Ca 0.00 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.04 3kwa s THR 87 Cb 0.00 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.68 3kwa s THR 87 CO 0.00 0.57 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.97 3kwa s TYR 88 N -0.31 2.51 -0.06 4.92 2.02 -0.86 -0.54 117.35 125.02 3kwa s TYR 88 Ca 0.01 -1.12 -0.14 0.00 -0.37 0.00 0.00 57.07 55.44 3kwa s TYR 88 Cb -0.13 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 3kwa s TYR 88 CO 0.02 -0.49 0.37 1.03 -1.57 0.00 0.00 175.55 174.92 3kwa s ARG 89 N 0.57 4.01 -0.03 -0.62 0.52 0.72 -0.20 118.95 123.92 3kwa s ARG 89 Ca -0.14 0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 55.08 3kwa s ARG 89 Cb -0.17 -3.29 -0.06 0.00 0.52 0.00 0.00 34.95 31.95 3kwa s ARG 89 CO 0.04 0.52 1.65 -1.17 0.02 0.00 0.00 175.30 176.36 3kwa s LEU 90 N -0.48 4.33 -0.26 2.53 2.96 0.18 -0.97 118.68 126.96 3kwa s LEU 90 Ca 0.22 2.29 -0.06 0.00 -0.22 0.00 0.00 54.13 56.36 3kwa s LEU 90 Cb -0.15 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.85 3kwa s LEU 90 CO 0.10 -0.91 -0.26 0.00 -1.32 0.00 0.00 176.35 173.96 3kwa n ILE 91 N 5.30 1.52 -3.74 6.68 3.06 -0.13 -4.60 119.36 127.45 3kwa n ILE 91 Ca 0.17 -0.48 -0.09 0.00 -2.50 0.00 0.00 62.75 59.84 3kwa n ILE 91 Cb 0.42 -1.64 -0.03 0.00 0.54 0.00 0.00 39.64 38.93 3kwa n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kwa s GLN 92 N -2.51 1.48 0.13 9.51 1.03 -1.23 -1.16 119.66 126.91 3kwa s GLN 92 Ca -0.36 -0.87 0.04 0.00 0.04 0.00 0.00 55.36 54.21 3kwa s GLN 92 Cb 0.11 0.55 -0.04 0.00 0.03 0.00 0.00 33.01 33.66 3kwa s GLN 92 CO 0.56 -0.64 -0.11 -0.59 -2.54 0.00 0.00 175.29 171.97 3kwa s PHE 93 N -3.88 1.23 0.27 9.60 -0.12 -0.06 -0.74 117.98 124.28 3kwa s PHE 93 Ca 0.09 -0.71 -0.21 0.00 -0.05 0.00 0.00 56.93 56.05 3kwa s PHE 93 Cb -0.02 -0.64 0.03 0.00 -0.63 0.00 0.00 43.02 41.76 3kwa s PHE 93 CO -0.01 0.07 0.78 -3.38 -0.05 0.00 0.00 175.22 172.63 3kwa s HIS 94 N -2.98 -0.13 0.19 3.49 -3.43 -0.95 -0.27 115.29 111.22 3kwa s HIS 94 Ca 0.13 -0.33 0.05 0.00 -0.80 0.00 0.00 55.06 54.11 3kwa s HIS 94 Cb 0.00 0.71 -0.05 0.00 -1.43 0.00 0.00 32.58 31.82 3kwa s HIS 94 CO 0.01 -1.20 -0.08 -0.06 -2.00 0.00 0.00 174.74 171.40 3kwa s PHE 95 N -3.54 1.51 -0.03 0.38 0.40 -1.26 -1.08 117.98 114.36 3kwa s PHE 95 Ca 0.12 -0.75 0.06 0.00 -0.60 0.00 0.00 56.93 55.76 3kwa s PHE 95 Cb -0.05 -0.79 -0.01 0.00 0.51 0.00 0.00 43.02 42.68 3kwa s PHE 95 CO 0.07 0.13 -0.22 -1.01 0.70 0.00 0.00 175.22 174.89 3kwa s HIS 96 N -3.24 2.06 0.18 0.36 3.76 -0.40 -4.75 115.29 113.27 3kwa s HIS 96 Ca 0.22 -0.47 -0.09 0.00 -0.15 0.00 0.00 55.06 54.58 3kwa s HIS 96 Cb 0.03 -1.34 -0.01 0.00 1.11 0.00 0.00 32.58 32.37 3kwa s HIS 96 CO 0.05 -0.09 0.31 1.67 -0.85 0.00 0.00 174.74 175.83 3kwa s TRP 97 N -0.38 0.46 0.08 1.40 -2.14 -1.24 -1.06 118.94 116.06 3kwa s TRP 97 Ca 0.04 -0.80 0.01 0.00 2.66 0.00 0.00 56.10 58.01 3kwa s TRP 97 Cb -0.10 -0.05 0.01 0.00 -3.10 0.00 0.00 33.47 30.23 3kwa s TRP 97 CO 0.00 -0.77 0.11 0.41 -2.66 0.00 0.00 176.95 174.04 3kwa n GLY 98 N -0.26 2.05 0.08 3.67 0.00 -1.17 -0.16 105.19 109.40 3kwa n GLY 98 Ca -0.05 -2.15 0.01 0.00 0.00 0.00 0.00 46.02 43.83 3kwa n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kwa n SER 99 N -2.81 0.53 -4.28 1.61 3.41 -1.26 -4.09 113.62 106.73 3kwa n SER 99 Ca 0.02 0.23 -0.15 0.00 -0.26 0.00 0.00 58.87 58.71 3kwa n SER 99 Cb 0.08 0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 64.64 3kwa n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kwa s LEU 100 N -5.43 1.93 0.52 1.04 2.01 -1.26 -5.07 118.68 112.41 3kwa s LEU 100 Ca -0.05 -1.27 0.29 0.00 0.01 0.00 0.00 54.13 53.11 3kwa s LEU 100 Cb 0.09 -0.05 1.44 0.00 0.01 0.00 0.00 46.19 47.68 3kwa s LEU 100 CO 0.83 -0.63 2.05 0.44 1.01 0.00 0.00 176.35 180.06 3kwa h ASP 101 N 2.54 0.00 0.05 2.29 3.45 -1.91 -2.75 116.42 120.08 3kwa h ASP 101 Ca -0.38 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.08 3kwa h ASP 101 Cb 1.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 3kwa h ASP 101 CO 0.62 0.12 0.00 0.61 -1.57 0.00 0.00 179.24 179.02 3kwa n GLY 102 N -0.55 -0.77 3.26 2.75 0.00 -1.26 -3.45 105.19 105.17 3kwa n GLY 102 Ca -0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 3kwa n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kwa s GLN 103 N -2.07 1.23 0.00 1.61 -2.07 -1.04 -4.70 119.66 112.62 3kwa s GLN 103 Ca 0.33 -1.53 0.00 0.00 -1.82 0.00 0.00 55.36 52.34 3kwa s GLN 103 Cb 0.16 0.30 0.00 0.00 -1.09 0.00 0.00 33.01 32.38 3kwa s GLN 103 CO 0.28 -0.42 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 3kwa n GLY 104 N -0.27 3.88 3.73 2.60 0.00 -1.04 -3.42 105.19 110.68 3kwa n GLY 104 Ca 0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 3kwa n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kwa s SER 105 N 0.00 4.25 -0.15 1.61 1.04 -0.26 -3.65 113.70 116.54 3kwa s SER 105 Ca 0.00 2.16 -0.12 0.00 0.48 0.00 0.00 55.95 58.47 3kwa s SER 105 Cb 0.00 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.48 3kwa s SER 105 CO 0.00 -2.21 -0.01 -0.33 0.98 0.00 0.00 173.24 171.66 3kwa h GLU 106 N -0.60 0.00 -7.24 4.02 5.08 -1.89 -3.46 114.58 110.49 3kwa h GLU 106 Ca -0.46 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.38 3kwa h GLU 106 Cb 1.27 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.65 3kwa h GLU 106 CO 0.50 0.29 0.34 -1.01 -1.00 0.00 0.00 179.01 178.13 3kwa s HIS 107 N -2.18 2.35 0.04 4.33 3.76 -1.26 -4.16 115.29 118.17 3kwa s HIS 107 Ca -0.16 1.60 0.03 0.00 -0.15 0.00 0.00 55.06 56.38 3kwa s HIS 107 Cb 0.02 -3.22 -0.02 0.00 1.11 0.00 0.00 32.58 30.47 3kwa s HIS 107 CO 0.30 -2.07 -0.10 0.95 -0.85 0.00 0.00 174.74 172.98 3kwa s THR 108 N -2.48 0.76 -0.30 1.30 -4.23 -1.17 -4.67 115.64 104.85 3kwa s THR 108 Ca 0.67 -0.99 -0.00 0.00 -1.18 0.00 0.00 61.69 60.18 3kwa s THR 108 Cb -0.22 -0.75 0.06 0.00 1.34 0.00 0.00 72.50 72.93 3kwa s THR 108 CO 0.49 -0.20 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.66 3kwa s VAL 109 N -1.08 2.77 -1.36 2.29 1.01 -0.84 0.23 120.40 123.42 3kwa s VAL 109 Ca -0.04 -1.51 -0.00 0.00 0.00 0.00 0.00 61.98 60.42 3kwa s VAL 109 Cb -0.08 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3kwa s VAL 109 CO 0.01 -0.13 0.57 0.47 0.00 0.00 0.00 175.10 176.02 3kwa n ASP 110 N 4.56 -0.80 0.00 3.32 10.43 -0.82 -1.19 116.55 132.06 3kwa n ASP 110 Ca -0.12 -0.91 0.00 0.00 2.57 0.00 0.00 54.79 56.33 3kwa n ASP 110 Cb 0.43 -3.58 0.00 0.00 1.84 0.00 0.00 41.12 39.81 3kwa n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3kwa n LYS 111 N -4.34 -1.48 -2.62 -1.24 4.76 -1.26 -4.98 118.16 107.01 3kwa n LYS 111 Ca -0.30 0.36 -0.43 0.00 -2.87 0.00 0.00 58.31 55.07 3kwa n LYS 111 Cb 0.68 -4.82 -0.02 0.00 -1.84 0.00 0.00 35.03 29.02 3kwa n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3kwa s LYS 112 N -1.71 4.27 -0.07 1.97 2.20 -0.33 -5.03 119.74 121.04 3kwa s LYS 112 Ca 0.00 1.42 -0.16 0.00 -0.36 0.00 0.00 55.97 56.87 3kwa s LYS 112 Cb 0.00 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 3kwa s LYS 112 CO 0.00 -0.61 0.42 0.15 -0.36 0.00 0.00 175.35 174.95 3kwa s LYS 113 N 3.13 4.14 0.44 4.03 1.02 -1.26 -1.99 119.74 129.26 3kwa s LYS 113 Ca 0.47 0.39 0.01 0.00 0.02 0.00 0.00 55.97 56.85 3kwa s LYS 113 Cb -0.17 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.80 3kwa s LYS 113 CO 0.09 0.41 0.66 0.71 -0.92 0.00 0.00 175.35 176.30 3kwa s TYR 114 N -0.18 3.23 0.16 3.18 1.51 -1.26 -4.62 117.35 119.38 3kwa s TYR 114 Ca 0.24 0.22 0.31 0.00 -1.01 0.00 0.00 57.07 56.83 3kwa s TYR 114 Cb -0.16 -2.28 1.28 0.00 -0.11 0.00 0.00 41.96 40.70 3kwa s TYR 114 CO 0.11 -0.32 1.96 0.00 -1.11 0.00 0.00 175.55 176.19 3kwa h ALA 115 N 0.44 1.03 -2.81 3.71 0.00 -1.26 -0.61 119.26 119.76 3kwa h ALA 115 Ca -0.46 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.44 3kwa h ALA 115 Cb 1.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3kwa h ALA 115 CO 0.57 0.10 0.39 0.00 0.00 0.00 0.00 179.25 180.31 3kwa s ALA 116 N -3.73 -1.11 -0.27 0.00 0.00 -0.98 -3.03 121.76 112.64 3kwa s ALA 116 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 51.96 51.25 3kwa s ALA 116 Cb 0.10 0.71 0.07 0.00 0.00 0.00 0.00 23.12 24.01 3kwa s ALA 116 CO 0.57 -1.02 0.67 -2.00 0.00 0.00 0.00 175.76 173.98 3kwa s GLU 117 N -2.44 0.73 -0.11 0.00 2.12 -0.23 -0.95 118.70 117.82 3kwa s GLU 117 Ca 0.17 1.10 -0.05 0.00 0.36 0.00 0.00 54.97 56.55 3kwa s GLU 117 Cb -0.04 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 3kwa s GLU 117 CO 0.09 -0.13 0.08 -1.17 -0.54 0.00 0.00 175.26 173.58 3kwa s LEU 118 N 1.13 4.00 -0.12 2.70 2.96 0.11 -1.27 118.68 128.19 3kwa s LEU 118 Ca -0.06 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 3kwa s LEU 118 Cb -0.05 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.69 3kwa s LEU 118 CO -0.11 0.37 -0.19 -1.00 -1.32 0.00 0.00 176.35 174.09 3kwa s HIS 119 N -0.80 2.30 -0.22 5.38 3.76 -0.24 -1.16 115.29 124.32 3kwa s HIS 119 Ca 0.13 -1.08 -0.03 0.00 -0.15 0.00 0.00 55.06 53.92 3kwa s HIS 119 Cb -0.12 -1.60 -0.00 0.00 1.11 0.00 0.00 32.58 31.97 3kwa s HIS 119 CO 0.03 -0.51 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.84 3kwa s LEU 120 N 0.80 2.81 -0.16 0.89 1.02 -0.47 -2.23 118.68 121.34 3kwa s LEU 120 Ca -0.09 -0.45 -0.06 0.00 0.02 0.00 0.00 54.13 53.55 3kwa s LEU 120 Cb -0.16 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 3kwa s LEU 120 CO 0.00 -0.02 0.05 -0.69 0.02 0.00 0.00 176.35 175.71 3kwa s VAL 121 N 1.45 4.73 0.02 -1.59 1.01 0.08 -1.53 120.40 124.57 3kwa s VAL 121 Ca 0.05 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3kwa s VAL 121 Cb -0.14 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3kwa s VAL 121 CO -0.05 0.50 -0.08 -1.00 0.00 0.00 0.00 175.10 174.47 3kwa s HIS 122 N 0.08 0.71 -0.07 5.22 3.76 0.10 -0.95 115.29 124.14 3kwa s HIS 122 Ca 0.05 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 54.74 3kwa s HIS 122 Cb -0.12 -0.44 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 3kwa s HIS 122 CO 0.01 -0.02 -0.18 1.67 -0.85 0.00 0.00 174.74 175.36 3kwa s TRP 123 N -0.61 2.62 -0.16 1.40 1.48 -0.15 -0.62 118.94 122.91 3kwa s TRP 123 Ca -0.01 -0.46 -0.33 0.00 -1.06 0.00 0.00 56.10 54.24 3kwa s TRP 123 Cb -0.05 -1.66 -0.10 0.00 -1.16 0.00 0.00 33.47 30.49 3kwa s TRP 123 CO 0.00 -0.04 2.01 -1.71 -4.06 0.00 0.00 176.95 173.16 3kwa n ASN 124 N 2.78 3.21 -0.09 -2.66 2.85 0.69 -0.20 115.26 121.84 3kwa n ASN 124 Ca -0.17 0.71 -0.06 0.00 -0.11 0.00 0.00 54.58 54.95 3kwa n ASN 124 Cb 0.52 -1.40 0.01 0.00 1.24 0.00 0.00 39.78 40.16 3kwa n ASN 124 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3kwa h THR 125 N 6.12 0.81 -1.00 -0.44 1.35 -1.16 -2.51 112.91 116.08 3kwa h THR 125 Ca -0.43 -0.06 0.23 0.00 -0.55 0.00 0.00 66.41 65.60 3kwa h THR 125 Cb 1.27 0.64 -0.10 0.00 -1.73 0.00 0.00 68.15 68.24 3kwa h THR 125 CO 0.96 0.03 0.63 0.07 -0.25 0.00 0.00 175.52 176.96 3kwa h LYS 127 N 0.16 0.53 0.00 4.72 2.10 -1.91 -3.22 116.57 118.95 3kwa h LYS 127 Ca 0.16 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 3kwa h LYS 127 Cb 0.19 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 3kwa h LYS 127 CO -0.22 0.35 0.00 0.66 -2.00 0.00 0.00 179.45 178.24 3kwa n TYR 128 N -4.68 0.00 0.00 0.07 4.02 -0.94 -4.94 117.16 110.68 3kwa n TYR 128 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 3kwa n TYR 128 Cb 0.72 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 3kwa n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kwa n GLY 129 N -1.02 0.96 3.31 2.72 0.00 -1.22 -4.57 105.19 105.36 3kwa n GLY 129 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3kwa n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kwa s ASP 130 N 0.00 0.43 0.37 1.61 1.47 -1.26 -5.03 116.67 114.26 3kwa s ASP 130 Ca 0.00 -1.38 0.10 0.00 1.18 0.00 0.00 52.55 52.45 3kwa s ASP 130 Cb 0.00 0.47 0.71 0.00 -0.34 0.00 0.00 42.92 43.76 3kwa s ASP 130 CO 0.00 -0.97 1.85 0.15 0.68 0.00 0.00 175.17 176.88 3kwa h PHE 131 N 2.43 0.16 -0.29 2.11 3.04 -1.94 -2.64 116.94 119.81 3kwa h PHE 131 Ca -0.32 -0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.45 3kwa h PHE 131 Cb 1.25 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.71 3kwa h PHE 131 CO 0.69 0.41 -0.41 0.78 -2.02 0.00 0.00 178.31 177.75 3kwa h GLY 132 N 0.94 0.87 1.56 2.40 0.00 -1.96 -2.71 103.07 104.17 3kwa h GLY 132 Ca 0.02 -0.96 -0.07 0.00 0.00 0.00 0.00 47.33 46.32 3kwa h GLY 132 CO 0.04 0.86 -0.11 0.50 0.00 0.00 0.00 176.54 177.83 3kwa h LYS 133 N 0.56 0.53 -0.62 4.80 1.79 -1.80 -3.27 116.57 118.56 3kwa h LYS 133 Ca 0.03 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.29 3kwa h LYS 133 Cb 1.01 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.57 3kwa h LYS 133 CO 0.10 0.64 0.15 0.00 -1.08 0.00 0.00 179.45 179.25 3kwa h ALA 134 N 1.40 0.82 0.00 3.86 0.00 -1.31 -2.52 119.26 121.51 3kwa h ALA 134 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kwa h ALA 134 Cb 0.48 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kwa h ALA 134 CO 0.03 0.54 0.00 -0.39 0.00 0.00 0.00 179.25 179.43 3kwa h VAL 135 N 0.92 0.00 -0.25 0.00 -1.51 -1.53 -0.97 116.25 112.91 3kwa h VAL 135 Ca 0.19 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.50 3kwa h VAL 135 Cb 0.37 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 3kwa h VAL 135 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 3kwa n GLN 136 N -2.37 1.65 -4.90 5.19 6.02 -0.95 -4.77 117.38 117.25 3kwa n GLN 136 Ca 0.00 -1.00 -0.26 0.00 -0.01 0.00 0.00 57.00 55.74 3kwa n GLN 136 Cb 0.16 -1.26 -0.15 0.00 1.02 0.00 0.00 30.24 30.00 3kwa n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kwa s GLN 137 N -1.67 1.51 0.43 -1.09 -1.52 -0.37 -5.04 119.66 111.91 3kwa s GLN 137 Ca 0.22 -0.67 0.14 0.00 -1.95 0.00 0.00 55.36 53.11 3kwa s GLN 137 Cb 0.12 -1.46 0.95 0.00 -0.22 0.00 0.00 33.01 32.39 3kwa s GLN 137 CO 0.16 0.40 1.96 -1.35 -0.25 0.00 0.00 175.29 176.21 3kwa h PRO 138 N 5.68 0.00 -0.52 2.91 0.11 -1.84 -1.54 132.00 136.81 3kwa h PRO 138 Ca -0.38 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.43 3kwa h PRO 138 Cb 1.15 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.07 3kwa h PRO 138 CO 0.48 0.22 -0.03 -0.40 -0.21 0.00 0.00 178.00 178.06 3kwa n ASP 139 N -4.27 3.35 0.10 -2.05 3.85 -1.26 -4.29 116.55 111.97 3kwa n ASP 139 Ca -0.02 -3.78 -0.05 0.00 -0.71 0.00 0.00 54.79 50.23 3kwa n ASP 139 Cb 0.28 -0.65 0.06 0.00 -1.35 0.00 0.00 41.12 39.46 3kwa n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3kwa h GLY 140 N 1.24 0.09 -4.33 6.12 0.00 -1.11 -3.43 103.07 101.66 3kwa h GLY 140 Ca 0.31 -0.14 -0.51 0.00 0.00 0.00 0.00 47.33 46.99 3kwa h GLY 140 CO 0.61 0.13 -0.81 1.08 0.00 0.00 0.00 176.54 177.54 3kwa s LEU 141 N -7.42 2.27 -0.10 3.11 1.43 -0.50 -0.22 118.68 117.25 3kwa s LEU 141 Ca -0.02 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3kwa s LEU 141 Cb 0.11 -0.77 0.02 0.00 0.03 0.00 0.00 46.19 45.58 3kwa s LEU 141 CO 0.80 0.03 -0.12 0.00 0.23 0.00 0.00 176.35 177.29 3kwa s ALA 142 N -1.14 1.43 -0.17 4.21 0.00 0.21 -1.25 121.76 125.05 3kwa s ALA 142 Ca 0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 3kwa s ALA 142 Cb -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3kwa s ALA 142 CO 0.03 -0.14 -0.15 0.08 0.00 0.00 0.00 175.76 175.58 3kwa s VAL 143 N 1.15 2.63 -0.26 0.00 1.01 -0.88 -0.72 120.40 123.31 3kwa s VAL 143 Ca -0.05 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 3kwa s VAL 143 Cb -0.14 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.12 3kwa s VAL 143 CO -0.03 0.50 0.98 -0.76 0.00 0.00 0.00 175.10 175.80 3kwa s LEU 144 N 1.06 4.05 -0.19 3.92 1.43 -0.58 -1.09 118.68 127.29 3kwa s LEU 144 Ca -0.01 1.15 -0.05 0.00 -1.03 0.00 0.00 54.13 54.19 3kwa s LEU 144 Cb -0.15 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 3kwa s LEU 144 CO -0.04 -0.69 0.00 -0.83 0.23 0.00 0.00 176.35 175.02 3kwa s GLY 145 N 1.39 1.75 -0.12 -3.19 0.00 0.81 -1.37 107.32 106.60 3kwa s GLY 145 Ca 0.41 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 3kwa s GLY 145 CO 0.09 0.12 -0.07 -0.42 0.00 0.00 0.00 173.10 172.83 3kwa s ILE 146 N 0.72 1.01 0.47 0.90 1.01 -0.31 -0.76 121.20 124.25 3kwa s ILE 146 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.13 3kwa s ILE 146 Cb -0.14 -1.05 -0.08 0.00 0.01 0.00 0.00 42.46 41.20 3kwa s ILE 146 CO 0.02 0.34 1.10 -0.36 0.00 0.00 0.00 174.94 176.04 3kwa s PHE 147 N 1.71 2.94 0.00 3.97 0.08 -1.26 0.04 117.98 125.46 3kwa s PHE 147 Ca 0.05 1.57 0.08 0.00 0.12 0.00 0.00 56.93 58.75 3kwa s PHE 147 Cb -0.13 -3.22 -0.02 0.00 -0.57 0.00 0.00 43.02 39.08 3kwa s PHE 147 CO -0.08 -1.15 -0.24 -0.51 -0.10 0.00 0.00 175.22 173.14 3kwa s LEU 148 N -3.26 2.21 0.25 -0.37 1.02 -0.12 -0.59 118.68 117.82 3kwa s LEU 148 Ca 0.66 -0.47 0.06 0.00 0.02 0.00 0.00 54.13 54.39 3kwa s LEU 148 Cb -0.23 -1.36 -0.05 0.00 0.02 0.00 0.00 46.19 44.57 3kwa s LEU 148 CO 0.27 0.30 -0.05 -1.59 0.02 0.00 0.00 176.35 175.30 3kwa s LYS 149 N -0.88 1.44 -0.20 1.70 -2.85 0.36 -1.41 119.74 117.90 3kwa s LYS 149 Ca 0.11 -1.72 -0.19 0.00 -1.00 0.00 0.00 55.97 53.17 3kwa s LYS 149 Cb -0.10 -0.95 -0.03 0.00 -2.06 0.00 0.00 37.83 34.69 3kwa s LYS 149 CO 0.01 0.01 0.54 0.08 0.10 0.00 0.00 175.35 176.08 3kwa s VAL 150 N -3.16 5.09 0.00 1.79 1.01 -1.26 -0.12 120.40 123.75 3kwa s VAL 150 Ca 0.28 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3kwa s VAL 150 Cb 0.04 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3kwa s VAL 150 CO 0.10 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3kwa n GLY 151 N 3.86 0.46 3.79 4.51 0.00 0.13 -4.89 105.19 113.05 3kwa n GLY 151 Ca -0.04 0.48 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 3kwa n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kwa s SER 152 N 2.00 5.91 0.45 1.61 0.01 -1.26 -3.99 113.70 118.43 3kwa s SER 152 Ca 0.00 1.92 -0.22 0.00 1.31 0.00 0.00 55.95 58.95 3kwa s SER 152 Cb 0.00 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.60 3kwa s SER 152 CO 0.00 -1.08 1.08 0.00 0.41 0.00 0.00 173.24 173.64 3kwa s ALA 153 N -2.20 2.98 -0.42 1.44 0.00 -1.26 -2.65 121.76 119.65 3kwa s ALA 153 Ca 0.66 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 53.18 3kwa s ALA 153 Cb -0.17 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3kwa s ALA 153 CO 0.30 -0.37 0.46 0.21 0.00 0.00 0.00 175.76 176.36 3kwa s LYS 154 N -2.79 3.13 0.26 0.00 2.47 -1.22 -4.82 119.74 116.77 3kwa s LYS 154 Ca 0.63 -0.71 -0.00 0.00 -1.56 0.00 0.00 55.97 54.32 3kwa s LYS 154 Cb -0.22 -3.96 0.35 0.00 -1.46 0.00 0.00 37.83 32.54 3kwa s LYS 154 CO 0.27 -0.86 1.72 -1.35 0.16 0.00 0.00 175.35 175.29 3kwa h PRO 155 N 8.73 0.64 0.00 4.03 0.11 -1.92 -1.46 132.00 142.14 3kwa h PRO 155 Ca -0.26 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kwa h PRO 155 Cb 1.11 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kwa h PRO 155 CO 0.80 0.77 0.00 0.41 -0.21 0.00 0.00 178.00 179.77 3kwa n GLY 156 N -0.45 -0.46 0.02 -0.55 0.00 -1.25 -2.15 105.19 100.36 3kwa n GLY 156 Ca 0.01 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3kwa n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kwa n LEU 157 N -1.35 0.00 -0.04 0.99 7.94 -0.55 -4.62 117.00 119.37 3kwa n LEU 157 Ca 0.01 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.99 3kwa n LEU 157 Cb 0.03 0.08 0.45 0.00 0.53 0.00 0.00 43.42 44.51 3kwa n LEU 157 CO 0.03 0.08 1.17 -0.61 -1.11 0.00 0.00 177.39 176.95 3kwa h GLN 158 N 0.00 0.49 -0.59 1.96 5.75 -1.43 -1.16 115.11 120.12 3kwa h GLN 158 Ca -0.09 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.47 3kwa h GLN 158 Cb 1.20 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 29.57 3kwa h GLN 158 CO 0.00 0.32 0.21 0.87 -2.65 0.00 0.00 178.83 177.58 3kwa h LYS 159 N 0.50 0.37 -0.14 1.69 1.57 -1.83 0.22 116.57 118.94 3kwa h LYS 159 Ca 0.21 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3kwa h LYS 159 Cb 0.20 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3kwa h LYS 159 CO -0.05 0.24 -0.03 0.28 -0.57 0.00 0.00 179.45 179.32 3kwa h VAL 160 N 0.38 1.28 -0.21 0.50 2.07 -1.57 -3.06 116.25 115.65 3kwa h VAL 160 Ca 0.30 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.93 3kwa h VAL 160 Cb 0.38 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3kwa h VAL 160 CO -0.31 0.28 0.18 0.58 0.02 0.00 0.00 177.57 178.31 3kwa h VAL 161 N -0.04 0.67 0.00 2.57 2.07 -0.42 -2.71 116.25 118.39 3kwa h VAL 161 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3kwa h VAL 161 Cb 0.44 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3kwa h VAL 161 CO 0.01 0.00 -0.89 0.47 0.02 0.00 0.00 177.57 177.18 3kwa n ASP 162 N -4.12 0.65 -0.54 0.57 8.00 0.68 -3.70 116.55 118.09 3kwa n ASP 162 Ca 0.02 -0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.61 3kwa n ASP 162 Cb 0.32 0.55 0.23 0.00 -0.02 0.00 0.00 41.12 42.19 3kwa n ASP 162 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3kwa n VAL 163 N -2.08 0.00 0.33 2.53 3.14 -1.02 -4.43 118.33 116.79 3kwa n VAL 163 Ca 0.02 -0.28 0.14 0.00 -2.96 0.00 0.00 64.34 61.27 3kwa n VAL 163 Cb 0.45 0.93 0.49 0.00 -1.06 0.00 0.00 33.84 34.65 3kwa n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3kwa h LEU 164 N 2.64 0.00 -0.95 6.55 3.38 -1.63 -1.61 115.31 123.68 3kwa h LEU 164 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3kwa h LEU 164 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3kwa h LEU 164 CO 0.00 0.00 -0.50 0.44 0.09 0.00 0.00 178.44 178.47 3kwa h ASP 165 N 0.00 0.07 0.96 -0.43 3.32 -1.83 -3.09 116.42 115.42 3kwa h ASP 165 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3kwa h ASP 165 Cb 0.63 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3kwa h ASP 165 CO 0.00 0.56 0.00 0.28 -1.72 0.00 0.00 179.24 178.36 3kwa h SER 166 N 0.05 0.00 -0.69 6.45 0.02 -1.60 -3.30 113.55 114.49 3kwa h SER 166 Ca -0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 3kwa h SER 166 Cb 0.90 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 63.02 3kwa h SER 166 CO 0.07 0.00 -0.96 2.30 -1.14 0.00 0.00 176.83 177.10 3kwa n ILE 167 N -3.06 1.91 -0.21 3.27 -5.35 -1.17 -4.68 119.36 110.09 3kwa n ILE 167 Ca 0.00 -3.67 -0.07 0.00 -0.27 0.00 0.00 62.75 58.75 3kwa n ILE 167 Cb 0.29 -0.04 0.03 0.00 -1.74 0.00 0.00 39.64 38.18 3kwa n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3kwa h LYS 168 N 2.43 0.80 -6.26 6.28 3.64 -1.64 -3.43 116.57 118.40 3kwa h LYS 168 Ca 0.13 -0.08 -0.57 0.00 -1.27 0.00 0.00 60.65 58.86 3kwa h LYS 168 Cb 1.37 -0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.93 3kwa h LYS 168 CO 0.51 0.59 -0.62 0.95 -2.27 0.00 0.00 179.45 178.62 3kwa s THR 169 N -5.93 3.85 0.18 1.00 -4.23 -1.26 0.04 115.64 109.29 3kwa s THR 169 Ca -0.13 -1.53 -0.31 0.00 -1.18 0.00 0.00 61.69 58.54 3kwa s THR 169 Cb 0.13 -3.00 -0.16 0.00 1.34 0.00 0.00 72.50 70.80 3kwa s THR 169 CO 0.77 -0.23 0.88 1.17 -0.54 0.00 0.00 174.62 176.66 3kwa n LYS 170 N -0.56 0.59 0.00 3.99 4.81 0.97 -2.51 118.16 125.45 3kwa n LYS 170 Ca -0.08 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3kwa n LYS 170 Cb 0.57 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.12 3kwa n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kwa n GLY 171 N 1.77 2.95 3.76 3.14 0.00 0.96 -4.31 105.19 113.47 3kwa n GLY 171 Ca 0.16 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3kwa n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwa s LYS 172 N 0.00 4.55 0.07 1.61 1.02 -1.04 -4.78 119.74 121.16 3kwa s LYS 172 Ca 0.00 1.72 0.03 0.00 0.02 0.00 0.00 55.97 57.75 3kwa s LYS 172 Cb 0.00 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 3kwa s LYS 172 CO 0.00 0.15 -0.10 -1.54 -0.92 0.00 0.00 175.35 172.94 3kwa s SER 173 N -1.04 1.25 0.22 2.83 1.04 -1.26 -0.74 113.70 116.00 3kwa s SER 173 Ca 0.47 -0.66 0.10 0.00 0.48 0.00 0.00 55.95 56.34 3kwa s SER 173 Cb -0.30 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 3kwa s SER 173 CO 0.38 -0.20 -0.14 0.00 0.98 0.00 0.00 173.24 174.26 3kwa s ALA 174 N -1.74 2.84 0.33 5.32 0.00 -0.11 -4.94 121.76 123.45 3kwa s ALA 174 Ca -0.03 -1.63 -0.27 0.00 0.00 0.00 0.00 51.96 50.03 3kwa s ALA 174 Cb -0.07 -0.54 -0.13 0.00 0.00 0.00 0.00 23.12 22.37 3kwa s ALA 174 CO 0.01 0.39 1.08 -0.25 0.00 0.00 0.00 175.76 176.98 3kwa n ASP 175 N -0.19 1.67 -2.73 0.00 9.92 -1.26 -1.07 116.55 122.89 3kwa n ASP 175 Ca -0.09 1.16 -0.08 0.00 -0.53 0.00 0.00 54.79 55.24 3kwa n ASP 175 Cb 0.57 -1.35 0.09 0.00 -0.64 0.00 0.00 41.12 39.79 3kwa n ASP 175 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3kwa n PHE 176 N 0.13 -1.59 -2.07 1.24 7.35 -1.04 -4.63 117.46 116.85 3kwa n PHE 176 Ca 0.08 -2.26 -0.31 0.00 -0.76 0.00 0.00 57.45 54.20 3kwa n PHE 176 Cb 0.34 1.06 -0.00 0.00 0.35 0.00 0.00 39.48 41.23 3kwa n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3kwa s THR 177 N -0.67 4.69 -1.54 -2.13 -4.23 -1.24 -3.82 115.64 106.70 3kwa s THR 177 Ca 0.24 0.89 -0.00 0.00 -1.18 0.00 0.00 61.69 61.64 3kwa s THR 177 Cb 0.39 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.40 3kwa s THR 177 CO -0.05 -1.01 0.00 0.59 -0.54 0.00 0.00 174.62 173.61 3kwa n ASN 178 N -2.43 -5.24 -4.75 3.99 4.13 -1.26 -4.97 115.26 104.74 3kwa n ASN 178 Ca 0.06 -0.02 -0.39 0.00 1.68 0.00 0.00 54.58 55.91 3kwa n ASN 178 Cb 0.54 -4.31 -0.05 0.00 -1.54 0.00 0.00 39.78 34.42 3kwa n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3kwa s PHE 179 N -2.90 3.67 -0.43 3.10 5.36 -1.26 -5.03 117.98 120.49 3kwa s PHE 179 Ca 0.00 1.27 -0.13 0.00 -0.96 0.00 0.00 56.93 57.11 3kwa s PHE 179 Cb -0.00 -2.70 0.06 0.00 -0.34 0.00 0.00 43.02 40.04 3kwa s PHE 179 CO 0.00 0.27 0.31 0.34 -1.46 0.00 0.00 175.22 174.68 3kwa s ASP 180 N 0.09 5.94 0.33 6.13 3.68 -1.26 -4.57 116.67 127.00 3kwa s ASP 180 Ca 0.34 -1.26 0.25 0.00 2.13 0.00 0.00 52.55 54.01 3kwa s ASP 180 Cb -0.19 -2.10 1.15 0.00 -1.45 0.00 0.00 42.92 40.33 3kwa s ASP 180 CO 0.19 -0.55 1.76 1.55 0.13 0.00 0.00 175.17 178.25 3kwa h PRO 181 N 8.59 0.00 0.00 4.34 0.13 -1.95 -2.66 132.00 140.46 3kwa h PRO 181 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3kwa h PRO 181 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3kwa h PRO 181 CO 0.79 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 3kwa h ARG 182 N 0.00 0.00 -0.04 0.86 3.08 -1.93 -2.17 114.38 114.18 3kwa h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kwa h ARG 182 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3kwa h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3kwa n GLY 183 N -0.93 -0.77 0.01 0.04 0.00 -1.00 -3.46 105.19 99.09 3kwa n GLY 183 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.93 3kwa n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kwa n LEU 184 N -0.46 0.37 -4.83 0.99 4.77 -0.82 -3.79 117.00 113.23 3kwa n LEU 184 Ca 0.07 -0.52 -0.34 0.00 -0.03 0.00 0.00 56.01 55.20 3kwa n LEU 184 Cb 0.07 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3kwa n LEU 184 CO 0.05 0.09 0.49 -0.76 -1.33 0.00 0.00 177.39 175.94 3kwa s LEU 185 N -2.26 4.11 0.80 2.23 1.43 -1.22 -4.91 118.68 118.85 3kwa s LEU 185 Ca 0.03 1.45 -0.10 0.00 -1.03 0.00 0.00 54.13 54.48 3kwa s LEU 185 Cb 0.05 -4.09 0.10 0.00 0.03 0.00 0.00 46.19 42.29 3kwa s LEU 185 CO 0.27 -0.18 1.14 -2.16 0.23 0.00 0.00 176.35 175.65 3kwa s PRO 186 N -2.75 1.72 0.13 1.29 0.04 -1.26 -5.01 135.00 129.16 3kwa s PRO 186 Ca 0.53 -0.21 -0.13 0.00 0.04 0.00 0.00 61.00 61.23 3kwa s PRO 186 Cb -0.12 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3kwa s PRO 186 CO 0.18 -1.66 1.52 1.05 0.04 0.00 0.00 177.00 178.13 3kwa h GLU 187 N -1.00 0.85 -6.32 4.56 4.11 -1.92 -3.42 114.58 111.43 3kwa h GLU 187 Ca -0.44 -0.35 -0.55 0.00 0.07 0.00 0.00 59.36 58.09 3kwa h GLU 187 Cb 1.30 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 3kwa h GLU 187 CO 0.56 0.99 0.12 0.45 0.07 0.00 0.00 179.01 181.20 3kwa s SER 188 N -6.53 7.21 -0.10 3.06 0.15 -1.26 -4.98 113.70 111.26 3kwa s SER 188 Ca -0.12 1.44 0.13 0.00 0.70 0.00 0.00 55.95 58.11 3kwa s SER 188 Cb 0.11 -2.45 0.56 0.00 -1.71 0.00 0.00 66.02 62.52 3kwa s SER 188 CO 0.84 0.11 1.42 0.18 1.20 0.00 0.00 173.24 176.99 3kwa n LEU 189 N 2.34 3.81 -4.76 3.45 4.77 -1.26 -4.70 117.00 120.65 3kwa n LEU 189 Ca -0.05 -1.92 -0.41 0.00 -0.03 0.00 0.00 56.01 53.60 3kwa n LEU 189 Cb 0.50 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3kwa n LEU 189 CO 0.46 0.63 1.20 -1.81 -1.33 0.00 0.00 177.39 176.54 3kwa s ASP 190 N -0.77 6.41 0.07 -1.43 -0.00 -1.26 -4.92 116.67 114.76 3kwa s ASP 190 Ca 0.39 2.93 -0.04 0.00 -0.00 0.00 0.00 52.55 55.83 3kwa s ASP 190 Cb 0.26 -2.64 -0.02 0.00 -0.00 0.00 0.00 42.92 40.51 3kwa s ASP 190 CO 0.18 -0.87 0.06 -0.72 -0.00 0.00 0.00 175.17 173.82 3kwa s TYR 191 N -0.23 0.38 0.10 4.23 -0.85 -1.26 -0.63 117.35 119.08 3kwa s TYR 191 Ca 0.61 -0.87 0.02 0.00 -0.52 0.00 0.00 57.07 56.30 3kwa s TYR 191 Cb -0.47 -0.26 -0.04 0.00 0.38 0.00 0.00 41.96 41.58 3kwa s TYR 191 CO 0.50 -0.45 0.19 -1.58 -1.52 0.00 0.00 175.55 172.70 3kwa s TRP 192 N -3.90 3.39 -0.02 -3.49 0.51 0.11 -1.50 118.94 114.03 3kwa s TRP 192 Ca 0.07 0.14 -0.02 0.00 -2.12 0.00 0.00 56.10 54.17 3kwa s TRP 192 Cb 0.07 -1.67 0.01 0.00 -0.81 0.00 0.00 33.47 31.07 3kwa s TRP 192 CO -0.10 0.54 0.06 -0.08 -0.51 0.00 0.00 176.95 176.86 3kwa s THR 193 N -1.59 -0.01 0.11 2.01 -1.32 0.53 -0.31 115.64 115.06 3kwa s THR 193 Ca 0.33 0.05 -0.12 0.00 -1.21 0.00 0.00 61.69 60.74 3kwa s THR 193 Cb -0.12 -0.10 0.01 0.00 -1.51 0.00 0.00 72.50 70.79 3kwa s THR 193 CO 0.26 0.02 0.30 -0.72 -2.21 0.00 0.00 174.62 172.27 3kwa s TYR 194 N 0.28 0.01 0.10 9.09 -0.85 -1.00 -0.77 117.35 124.20 3kwa s TYR 194 Ca -0.02 -0.38 -0.28 0.00 -0.52 0.00 0.00 57.07 55.87 3kwa s TYR 194 Cb -0.03 0.09 -0.06 0.00 0.38 0.00 0.00 41.96 42.34 3kwa s TYR 194 CO -0.01 -0.64 0.89 -1.25 -1.52 0.00 0.00 175.55 173.02 3kwa s PRO 195 N -3.84 4.63 0.00 -3.49 0.04 -1.26 -1.23 135.00 129.85 3kwa s PRO 195 Ca 0.05 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3kwa s PRO 195 Cb 0.03 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3kwa s PRO 195 CO -0.10 0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.61 3kwa n GLY 196 N 2.24 3.28 3.30 0.56 0.00 0.17 -4.82 105.19 109.91 3kwa n GLY 196 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 3kwa n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kwa s SER 197 N 2.00 1.08 0.57 1.61 1.04 -1.09 -2.33 113.70 116.58 3kwa s SER 197 Ca 0.00 -1.36 -0.21 0.00 0.48 0.00 0.00 55.95 54.86 3kwa s SER 197 Cb 0.00 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 3kwa s SER 197 CO 0.00 -0.73 1.25 0.18 0.98 0.00 0.00 173.24 174.93 3kwa n LEU 198 N -0.42 5.10 -0.47 2.42 4.77 -0.79 -4.64 117.00 122.97 3kwa n LEU 198 Ca -0.00 0.93 0.11 0.00 -0.03 0.00 0.00 56.01 57.01 3kwa n LEU 198 Cb 0.66 -1.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.24 3kwa n LEU 198 CO 0.37 -0.94 0.32 0.35 -1.33 0.00 0.00 177.39 176.15 3kwa n THR 199 N -1.28 0.00 -4.37 -5.08 -2.24 -1.26 -4.44 114.28 95.61 3kwa n THR 199 Ca 0.12 -0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 3kwa n THR 199 Cb 0.45 1.19 -0.12 0.00 -2.10 0.00 0.00 70.33 69.75 3kwa n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kwa s THR 200 N -2.49 2.11 0.29 4.28 -4.23 -1.26 -4.71 115.64 109.62 3kwa s THR 200 Ca 0.19 -1.86 -0.27 0.00 -1.18 0.00 0.00 61.69 58.57 3kwa s THR 200 Cb 0.18 -1.94 -0.14 0.00 1.34 0.00 0.00 72.50 71.94 3kwa s THR 200 CO 0.58 -0.09 0.87 -2.65 -0.54 0.00 0.00 174.62 172.79 3kwa n PRO 201 N 0.58 1.02 -0.14 3.99 -0.02 -1.26 -1.56 135.00 137.60 3kwa n PRO 201 Ca -0.15 0.36 0.03 0.00 -2.02 0.00 0.00 63.50 61.71 3kwa n PRO 201 Cb 0.55 -1.65 0.09 0.00 -0.02 0.00 0.00 33.50 32.47 3kwa n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3kwa n PRO 202 N 0.75 1.62 -2.68 0.52 -0.04 -1.26 -5.03 135.00 128.88 3kwa n PRO 202 Ca 0.11 -0.73 -0.20 0.00 -0.04 0.00 0.00 63.50 62.64 3kwa n PRO 202 Cb 0.31 -1.32 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 3kwa n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kwa n LEU 203 N 0.09 -2.02 -4.74 1.53 4.77 -0.60 -4.88 117.00 111.15 3kwa n LEU 203 Ca 0.07 -0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 3kwa n LEU 203 Cb 0.26 -2.76 -0.02 0.00 -2.33 0.00 0.00 43.42 38.57 3kwa n LEU 203 CO 0.06 -0.03 1.14 -0.76 -1.33 0.00 0.00 177.39 176.46 3kwa s LEU 204 N -6.21 4.38 -1.33 2.23 1.43 -1.26 -4.44 118.68 113.47 3kwa s LEU 204 Ca 0.13 2.69 -0.09 0.00 -1.03 0.00 0.00 54.13 55.83 3kwa s LEU 204 Cb -0.06 -3.62 0.13 0.00 0.03 0.00 0.00 46.19 42.67 3kwa s LEU 204 CO 0.16 -0.74 2.12 -0.62 0.23 0.00 0.00 176.35 177.49 3kwa n GLU 205 N 2.57 3.82 0.00 1.70 1.02 -1.26 -1.88 120.64 126.61 3kwa n GLU 205 Ca 0.08 -3.33 0.01 0.00 -0.02 0.00 0.00 57.16 53.90 3kwa n GLU 205 Cb 0.40 -2.87 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 3kwa n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kwa s VAL 207 N -0.48 5.20 -0.34 0.00 1.01 -0.98 -1.41 120.40 123.39 3kwa s VAL 207 Ca 0.02 0.70 -0.24 0.00 0.00 0.00 0.00 61.98 62.45 3kwa s VAL 207 Cb 0.01 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.68 3kwa s VAL 207 CO 0.04 0.25 0.83 -0.89 0.00 0.00 0.00 175.10 175.33 3kwa s THR 208 N 1.32 4.71 -0.14 3.92 2.01 -0.38 0.42 115.64 127.50 3kwa s THR 208 Ca 0.19 1.11 -0.18 0.00 0.31 0.00 0.00 61.69 63.12 3kwa s THR 208 Cb -0.15 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 3kwa s THR 208 CO 0.08 -0.39 0.47 0.26 -0.69 0.00 0.00 174.62 174.34 3kwa s TRP 209 N 3.16 3.48 -0.31 4.92 0.52 -0.36 -2.08 118.94 128.26 3kwa s TRP 209 Ca 0.34 0.84 0.01 0.00 0.02 0.00 0.00 56.10 57.30 3kwa s TRP 209 Cb -0.13 -2.55 0.07 0.00 -1.15 0.00 0.00 33.47 29.71 3kwa s TRP 209 CO 0.16 0.12 0.01 0.42 0.02 0.00 0.00 176.95 177.68 3kwa s ILE 210 N 0.80 2.63 -0.27 2.03 1.01 -0.25 -2.37 121.20 124.78 3kwa s ILE 210 Ca 0.25 -1.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.09 3kwa s ILE 210 Cb -0.15 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.68 3kwa s ILE 210 CO 0.10 -0.28 -0.00 -0.69 0.00 0.00 0.00 174.94 174.07 3kwa s VAL 211 N 1.11 3.33 0.43 2.92 1.01 0.58 -0.14 120.40 129.64 3kwa s VAL 211 Ca -0.01 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.84 3kwa s VAL 211 Cb -0.20 -2.71 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 3kwa s VAL 211 CO -0.04 0.14 1.18 -0.76 0.00 0.00 0.00 175.10 175.63 3kwa s LEU 212 N 1.40 4.11 0.05 3.92 1.43 0.06 0.07 118.68 129.71 3kwa s LEU 212 Ca 0.01 2.36 -0.08 0.00 -1.03 0.00 0.00 54.13 55.40 3kwa s LEU 212 Cb -0.17 -4.11 -0.31 0.00 0.03 0.00 0.00 46.19 41.64 3kwa s LEU 212 CO -0.02 -0.81 1.06 0.50 0.23 0.00 0.00 176.35 177.32 3kwa h LYS 213 N 2.37 0.36 -5.49 1.70 3.64 -1.20 -3.43 116.57 114.53 3kwa h LYS 213 Ca -0.49 -0.61 -0.61 0.00 -1.27 0.00 0.00 60.65 57.67 3kwa h LYS 213 Cb 1.24 0.23 -0.12 0.00 -0.41 0.00 0.00 32.23 33.17 3kwa h LYS 213 CO 0.61 1.28 0.14 -2.00 -2.27 0.00 0.00 179.45 177.22 3kwa s GLU 214 N -2.63 4.03 0.64 1.90 2.12 -1.26 -5.01 118.70 118.49 3kwa s GLU 214 Ca -0.06 0.44 -0.15 0.00 0.36 0.00 0.00 54.97 55.55 3kwa s GLU 214 Cb 0.06 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 3kwa s GLU 214 CO 0.90 -0.47 1.11 -2.14 -0.54 0.00 0.00 175.26 174.12 3kwa s PRO 215 N 2.53 2.91 0.11 4.30 0.02 -1.26 -4.64 135.00 138.96 3kwa s PRO 215 Ca 0.25 1.39 -0.09 0.00 0.02 0.00 0.00 61.00 62.58 3kwa s PRO 215 Cb -0.15 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.34 3kwa s PRO 215 CO 0.10 -1.16 0.41 0.96 -0.33 0.00 0.00 177.00 176.98 3kwa s ILE 216 N -2.30 5.09 -0.15 2.83 -4.36 0.25 -4.85 121.20 117.71 3kwa s ILE 216 Ca 0.67 0.35 -0.08 0.00 -0.26 0.00 0.00 60.65 61.33 3kwa s ILE 216 Cb -0.20 -3.64 -0.04 0.00 1.25 0.00 0.00 42.46 39.83 3kwa s ILE 216 CO 0.40 0.19 0.12 -0.94 0.24 0.00 0.00 174.94 174.94 3kwa s SER 217 N -1.99 6.17 0.45 4.36 1.04 -1.26 -0.49 113.70 121.98 3kwa s SER 217 Ca 0.37 0.32 0.05 0.00 0.48 0.00 0.00 55.95 57.16 3kwa s SER 217 Cb -0.13 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 63.91 3kwa s SER 217 CO 0.20 0.30 0.02 0.68 0.98 0.00 0.00 173.24 175.42 3kwa s VAL 218 N -0.35 1.67 0.50 5.02 -7.23 0.83 -3.41 120.40 117.43 3kwa s VAL 218 Ca 0.11 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.26 3kwa s VAL 218 Cb -0.12 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 3kwa s VAL 218 CO 0.01 0.00 0.78 -0.94 -0.31 0.00 0.00 175.10 174.64 3kwa s SER 219 N -3.79 5.96 0.22 4.85 1.04 -1.21 0.21 113.70 120.97 3kwa s SER 219 Ca 0.23 0.68 -0.08 0.00 0.48 0.00 0.00 55.95 57.27 3kwa s SER 219 Cb 0.06 -1.90 0.30 0.00 0.10 0.00 0.00 66.02 64.58 3kwa s SER 219 CO 0.12 -0.74 1.79 0.28 0.98 0.00 0.00 173.24 175.67 3kwa h SER 220 N 0.17 0.49 -0.61 7.02 0.02 -1.94 -2.27 113.55 116.44 3kwa h SER 220 Ca -0.46 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.44 3kwa h SER 220 Cb 1.23 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 3kwa h SER 220 CO 0.60 0.29 0.02 1.05 -1.14 0.00 0.00 176.83 177.66 3kwa h GLU 221 N 0.63 1.07 0.32 3.45 9.09 -1.94 -0.66 114.58 126.54 3kwa h GLU 221 Ca 0.33 -0.33 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3kwa h GLU 221 Cb 0.30 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.28 3kwa h GLU 221 CO -0.24 1.03 -0.29 1.96 0.05 0.00 0.00 179.01 181.53 3kwa h GLN 222 N 0.97 -0.61 0.00 1.06 4.20 -1.89 -2.94 115.11 115.90 3kwa h GLN 222 Ca 0.18 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 3kwa h GLN 222 Cb 0.54 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3kwa h GLN 222 CO 0.03 -0.41 -0.21 0.28 -0.67 0.00 0.00 178.83 177.85 3kwa h VAL 223 N -0.63 0.70 -0.48 -0.54 2.07 -1.39 -2.61 116.25 113.37 3kwa h VAL 223 Ca -0.02 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3kwa h VAL 223 Cb 0.57 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3kwa h VAL 223 CO -0.04 0.20 0.24 -0.07 0.02 0.00 0.00 177.57 177.92 3kwa h LEU 224 N 0.00 0.60 -0.19 2.57 3.38 -1.02 -2.29 115.31 118.36 3kwa h LEU 224 Ca -0.00 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 3kwa h LEU 224 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3kwa h LEU 224 CO 0.03 0.51 -0.94 0.11 0.09 0.00 0.00 178.44 178.23 3kwa h LYS 225 N 0.67 0.16 -0.35 1.13 1.57 -1.29 -2.74 116.57 115.72 3kwa h LYS 225 Ca 0.17 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3kwa h LYS 225 Cb 0.06 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 3kwa h LYS 225 CO -0.02 0.98 -0.08 0.74 -0.57 0.00 0.00 179.45 180.50 3kwa h PHE 226 N 0.08 -0.17 0.00 -1.35 -1.00 -1.36 -2.54 116.94 110.60 3kwa h PHE 226 Ca -0.05 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3kwa h PHE 226 Cb 1.60 0.13 0.00 0.00 3.61 0.00 0.00 35.95 41.29 3kwa h PHE 226 CO 0.03 -0.14 0.00 0.54 -1.61 0.00 0.00 178.31 177.12 3kwa n ARG 227 N -5.27 0.03 0.01 1.51 1.74 -0.89 -2.13 116.66 111.67 3kwa n ARG 227 Ca 0.01 0.41 0.12 0.00 -0.77 0.00 0.00 57.85 57.62 3kwa n ARG 227 Cb 0.19 -1.58 0.24 0.00 -1.02 0.00 0.00 32.46 30.29 3kwa n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kwa n LYS 228 N -1.64 0.07 -1.00 5.56 5.02 -0.96 -4.44 118.16 120.77 3kwa n LYS 228 Ca 0.01 0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 3kwa n LYS 228 Cb 0.09 -1.54 0.13 0.00 -0.02 0.00 0.00 35.03 33.69 3kwa n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kwa s LEU 229 N -3.28 2.96 -0.06 -0.35 1.02 -0.90 -4.86 118.68 113.21 3kwa s LEU 229 Ca 0.10 2.05 0.04 0.00 0.02 0.00 0.00 54.13 56.33 3kwa s LEU 229 Cb 0.17 -4.55 -0.02 0.00 0.02 0.00 0.00 46.19 41.80 3kwa s LEU 229 CO 0.70 -2.58 -0.16 0.20 0.02 0.00 0.00 176.35 174.53 3kwa s ASN 230 N -2.93 3.83 0.15 2.29 0.02 0.11 0.11 114.94 118.53 3kwa s ASN 230 Ca 0.65 -0.28 -0.10 0.00 -1.02 0.00 0.00 52.86 52.11 3kwa s ASN 230 Cb -0.21 -0.93 -0.01 0.00 0.02 0.00 0.00 41.25 40.12 3kwa s ASN 230 CO 0.56 0.30 1.49 -0.26 0.02 0.00 0.00 177.10 179.21 3kwa h PHE 231 N 5.67 1.09 -4.08 2.20 0.05 -1.47 -3.35 116.94 117.04 3kwa h PHE 231 Ca -0.41 -0.32 -0.46 0.00 3.82 0.00 0.00 57.97 60.60 3kwa h PHE 231 Cb 1.16 -0.23 0.14 0.00 2.00 0.00 0.00 35.95 39.02 3kwa h PHE 231 CO 0.48 1.14 0.25 0.54 -0.18 0.00 0.00 178.31 180.54 3kwa s ASN 232 N -6.84 3.17 0.40 2.17 4.22 -1.26 -4.22 114.94 112.58 3kwa s ASN 232 Ca -0.11 1.08 -0.00 0.00 -2.14 0.00 0.00 52.86 51.69 3kwa s ASN 232 Cb 0.11 -1.70 -0.02 0.00 1.28 0.00 0.00 41.25 40.92 3kwa s ASN 232 CO 0.88 -2.78 0.62 -0.83 -2.04 0.00 0.00 177.10 172.94 3kwa s GLY 233 N -3.77 1.44 0.18 0.45 0.00 -1.26 -0.02 107.32 104.34 3kwa s GLY 233 Ca 0.64 -0.93 -0.33 0.00 0.00 0.00 0.00 44.72 44.10 3kwa s GLY 233 CO 0.55 -0.82 1.30 -2.21 0.00 0.00 0.00 173.10 171.93 3kwa n GLU 234 N -1.94 1.52 -0.88 2.90 2.13 -1.26 -1.84 120.64 121.27 3kwa n GLU 234 Ca -0.02 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3kwa n GLU 234 Cb 0.57 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.14 3kwa n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kwa n GLY 235 N 2.27 0.56 3.76 8.31 0.00 -1.26 -5.05 105.19 113.78 3kwa n GLY 235 Ca 0.15 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3kwa n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kwa s GLU 236 N -0.15 2.71 0.68 1.61 2.02 -0.77 -5.10 118.70 119.70 3kwa s GLU 236 Ca 0.00 -1.08 -0.15 0.00 0.02 0.00 0.00 54.97 53.76 3kwa s GLU 236 Cb 0.00 -2.47 0.01 0.00 0.10 0.00 0.00 34.13 31.77 3kwa s GLU 236 CO 0.00 0.43 1.14 -2.14 0.02 0.00 0.00 175.26 174.70 3kwa s PRO 237 N -3.45 2.62 -0.25 0.39 0.02 -1.26 -4.85 135.00 128.21 3kwa s PRO 237 Ca 0.31 1.50 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 3kwa s PRO 237 Cb -0.08 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3kwa s PRO 237 CO 0.22 -1.41 1.07 -2.00 -0.33 0.00 0.00 177.00 174.56 3kwa s GLU 238 N -4.02 4.19 -0.34 5.54 2.12 -1.26 -4.81 118.70 120.12 3kwa s GLU 238 Ca 0.69 1.29 0.00 0.00 0.36 0.00 0.00 54.97 57.31 3kwa s GLU 238 Cb -0.23 -3.68 0.09 0.00 0.26 0.00 0.00 34.13 30.57 3kwa s GLU 238 CO 0.42 -0.73 0.07 -2.00 -0.54 0.00 0.00 175.26 172.48 3kwa s GLU 239 N 3.37 1.95 0.16 4.30 2.12 -1.26 -5.07 118.70 124.27 3kwa s GLU 239 Ca 0.45 -1.66 -0.32 0.00 0.36 0.00 0.00 54.97 53.81 3kwa s GLU 239 Cb -0.15 -3.28 -0.10 0.00 0.26 0.00 0.00 34.13 30.86 3kwa s GLU 239 CO 0.10 -0.87 1.66 -0.51 -0.54 0.00 0.00 175.26 175.10 3kwa s LEU 240 N 1.08 4.37 -0.77 2.70 1.43 -1.26 -1.32 118.68 124.90 3kwa s LEU 240 Ca 0.04 2.70 -0.26 0.00 -1.03 0.00 0.00 54.13 55.58 3kwa s LEU 240 Cb -0.20 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.42 3kwa s LEU 240 CO -0.05 -0.90 1.68 -0.32 0.23 0.00 0.00 176.35 176.99 3kwa s MET 241 N 1.51 2.89 0.01 1.70 -2.45 0.12 -4.64 119.30 118.43 3kwa s MET 241 Ca 0.73 -0.06 -0.12 0.00 -1.25 0.00 0.00 55.69 54.99 3kwa s MET 241 Cb -0.45 -4.64 0.01 0.00 1.25 0.00 0.00 34.83 31.00 3kwa s MET 241 CO 0.32 -2.66 0.26 0.14 1.05 0.00 0.00 175.02 174.13 3kwa s VAL 242 N 7.89 0.08 -1.29 10.11 -7.23 -1.26 -4.23 120.40 124.46 3kwa s VAL 242 Ca 0.57 -0.63 -0.05 0.00 -1.81 0.00 0.00 61.98 60.07 3kwa s VAL 242 Cb -0.08 -0.69 0.01 0.00 0.56 0.00 0.00 36.38 36.18 3kwa s VAL 242 CO 0.10 -0.34 1.06 0.47 -0.31 0.00 0.00 175.10 176.08 3kwa n ASP 243 N 1.08 -4.00 -2.58 4.85 10.43 0.77 -4.89 116.55 122.21 3kwa n ASP 243 Ca -0.21 -0.61 -0.32 0.00 2.57 0.00 0.00 54.79 56.23 3kwa n ASP 243 Cb 0.57 -4.96 0.00 0.00 1.84 0.00 0.00 41.12 38.57 3kwa n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3kwa n ASN 244 N -3.06 7.01 -4.28 -2.24 6.94 -1.10 -4.92 115.26 113.60 3kwa n ASN 244 Ca -0.15 -3.49 -0.30 0.00 -0.02 0.00 0.00 54.58 50.62 3kwa n ASN 244 Cb 0.62 -1.13 -0.16 0.00 -2.36 0.00 0.00 39.78 36.75 3kwa n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3kwa s TRP 245 N -2.84 2.25 0.07 -2.53 1.48 -1.26 -4.65 118.94 111.45 3kwa s TRP 245 Ca 0.54 -0.47 -0.27 0.00 -1.06 0.00 0.00 56.10 54.85 3kwa s TRP 245 Cb 0.41 -1.45 -0.06 0.00 -1.16 0.00 0.00 33.47 31.21 3kwa s TRP 245 CO -0.26 -0.07 0.83 0.50 -4.06 0.00 0.00 176.95 173.90 3kwa s ARG 246 N -0.50 4.57 0.94 3.25 3.52 -1.26 -4.96 118.95 124.50 3kwa s ARG 246 Ca 0.07 1.20 -0.12 0.00 -0.13 0.00 0.00 55.73 56.76 3kwa s ARG 246 Cb -0.10 -3.37 0.15 0.00 -1.56 0.00 0.00 34.95 30.07 3kwa s ARG 246 CO -0.00 0.25 1.09 -2.14 -0.81 0.00 0.00 175.30 173.69 3kwa s PRO 247 N -0.02 0.91 0.21 5.12 0.02 -1.26 -4.51 135.00 135.46 3kwa s PRO 247 Ca 0.42 0.85 -0.31 0.00 0.02 0.00 0.00 61.00 61.97 3kwa s PRO 247 Cb -0.21 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 3kwa s PRO 247 CO 0.25 -2.49 1.58 0.00 -0.33 0.00 0.00 177.00 176.02 3kwa s ALA 248 N -2.86 3.78 0.25 -1.55 0.00 -1.26 -4.30 121.76 115.82 3kwa s ALA 248 Ca 0.64 1.45 0.05 0.00 0.00 0.00 0.00 51.96 54.11 3kwa s ALA 248 Cb -0.19 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 3kwa s ALA 248 CO 0.58 -0.84 0.36 -0.65 0.00 0.00 0.00 175.76 175.20 3kwa s GLN 249 N 0.56 3.35 0.19 0.00 -1.52 0.21 -4.87 119.66 117.57 3kwa s GLN 249 Ca 0.68 -0.82 -0.32 0.00 -1.95 0.00 0.00 55.36 52.95 3kwa s GLN 249 Cb -0.45 -2.85 -0.12 0.00 -0.22 0.00 0.00 33.01 29.37 3kwa s GLN 249 CO 0.37 0.38 1.74 -2.14 -0.25 0.00 0.00 175.29 175.38 3kwa s PRO 250 N -3.99 4.13 0.38 2.91 0.02 -1.26 -4.42 135.00 132.77 3kwa s PRO 250 Ca 0.35 2.60 0.05 0.00 0.02 0.00 0.00 61.00 64.02 3kwa s PRO 250 Cb -0.09 -3.17 0.75 0.00 0.02 0.00 0.00 34.50 32.01 3kwa s PRO 250 CO 0.29 -0.76 2.02 1.25 -0.33 0.00 0.00 177.00 179.47 3kwa h LEU 251 N 7.12 0.57 -1.79 -5.54 5.85 -1.94 -3.44 115.31 116.14 3kwa h LEU 251 Ca -0.44 -0.02 -0.43 0.00 0.84 0.00 0.00 57.88 57.83 3kwa h LEU 251 Cb 1.20 -0.14 0.04 0.00 0.37 0.00 0.00 40.66 42.13 3kwa h LEU 251 CO 0.95 0.44 -0.84 0.29 -0.34 0.00 0.00 178.44 178.94 3kwa n LYS 252 N -4.44 -4.67 -0.85 1.25 5.02 -1.26 -3.22 118.16 109.99 3kwa n LYS 252 Ca 0.04 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 3kwa n LYS 252 Cb 0.07 -5.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.00 3kwa n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kwa n ASN 253 N -3.04 -5.01 -4.59 4.39 4.05 -1.26 -4.97 115.26 104.82 3kwa n ASN 253 Ca -0.30 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.37 3kwa n ASN 253 Cb 0.68 -3.06 0.08 0.00 1.23 0.00 0.00 39.78 38.71 3kwa n ASN 253 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3kwa n ARG 254 N 0.78 0.50 -4.36 1.20 1.74 -1.20 -5.02 116.66 110.30 3kwa n ARG 254 Ca 0.00 0.22 -0.34 0.00 -0.77 0.00 0.00 57.85 56.97 3kwa n ARG 254 Cb 0.42 -2.16 -0.12 0.00 -1.02 0.00 0.00 32.46 29.58 3kwa n ARG 254 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3kwa s GLN 255 N -3.20 3.66 -0.12 5.56 0.74 -1.26 -5.04 119.66 120.00 3kwa s GLN 255 Ca 0.72 -0.49 -0.24 0.00 0.05 0.00 0.00 55.36 55.40 3kwa s GLN 255 Cb -0.35 -2.94 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 3kwa s GLN 255 CO 0.51 0.28 0.73 0.42 -0.55 0.00 0.00 175.29 176.68 3kwa s ILE 256 N 0.27 4.99 -0.05 -2.34 1.01 -1.26 -4.69 121.20 119.13 3kwa s ILE 256 Ca -0.02 1.46 -0.02 0.00 0.00 0.00 0.00 60.65 62.07 3kwa s ILE 256 Cb -0.14 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3kwa s ILE 256 CO 0.03 0.16 0.06 -0.54 0.00 0.00 0.00 174.94 174.64 3kwa s LYS 257 N 1.41 3.09 -0.08 2.79 1.02 0.05 -2.61 119.74 125.40 3kwa s LYS 257 Ca 0.36 -0.40 -0.09 0.00 0.02 0.00 0.00 55.97 55.86 3kwa s LYS 257 Cb -0.17 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 3kwa s LYS 257 CO 0.15 0.69 0.21 0.00 -0.92 0.00 0.00 175.35 175.48 3kwa s ALA 258 N -1.06 3.84 -1.63 5.17 0.00 0.22 -0.35 121.76 127.95 3kwa s ALA 258 Ca 0.18 -0.55 0.31 0.00 0.00 0.00 0.00 51.96 51.91 3kwa s ALA 258 Cb -0.12 -2.07 1.66 0.00 0.00 0.00 0.00 23.12 22.60 3kwa s ALA 258 CO 0.08 0.59 2.12 -1.13 0.00 0.00 0.00 175.76 177.42 3kwa n SER 259 N 1.88 0.00 0.00 0.00 3.41 -0.56 -1.09 113.62 117.26 3kwa n SER 259 Ca -0.18 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 3kwa n SER 259 Cb 0.54 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3kwa n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10