#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khs s THR 2 N 0.00 2.19 0.22 1.12 -4.23 -1.26 -4.83 115.64 108.84 3khs s THR 2 Ca 0.00 -0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 60.27 3khs s THR 2 Cb 0.00 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 71.01 3khs s THR 2 CO 0.00 -0.01 1.70 0.44 -0.54 0.00 0.00 174.62 176.21 3khs h ASP 3 N -0.78 -0.00 -0.67 3.99 3.32 -1.99 0.79 116.42 121.08 3khs h ASP 3 Ca -0.45 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 3khs h ASP 3 Cb 1.32 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 3khs h ASP 3 CO 0.63 -0.00 0.36 0.22 -1.72 0.00 0.00 179.24 178.72 3khs h TYR 4 N 0.26 0.94 -0.64 4.55 3.20 -1.98 0.23 116.97 123.54 3khs h TYR 4 Ca 0.34 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 3khs h TYR 4 Cb 0.52 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3khs h TYR 4 CO -0.26 0.67 0.24 -0.44 -1.64 0.00 0.00 178.16 176.74 3khs h ASP 5 N 0.96 0.90 -0.18 -2.11 3.32 -1.29 -1.04 116.42 116.98 3khs h ASP 5 Ca 0.24 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 3khs h ASP 5 Cb 0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3khs h ASP 5 CO -0.04 0.83 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.03 3khs h LEU 6 N 0.91 0.63 -0.44 1.55 3.38 -0.29 -2.28 115.31 118.76 3khs h LEU 6 Ca 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3khs h LEU 6 Cb 0.23 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3khs h LEU 6 CO -0.02 0.84 0.12 0.00 0.09 0.00 0.00 178.44 179.47 3khs h ALA 7 N 1.22 0.58 -0.66 1.53 0.00 -0.15 -0.14 119.26 121.63 3khs h ALA 7 Ca 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3khs h ALA 7 Cb 0.67 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3khs h ALA 7 CO 0.05 0.25 0.43 0.87 0.00 0.00 0.00 179.25 180.85 3khs h LYS 8 N 0.58 0.83 0.39 0.00 1.57 -1.00 0.19 116.57 119.13 3khs h LYS 8 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3khs h LYS 8 Cb 0.30 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3khs h LYS 8 CO -0.00 0.55 -0.22 1.49 -0.57 0.00 0.00 179.45 180.70 3khs h GLU 9 N 0.85 -0.55 -0.57 3.15 4.81 -1.17 0.27 114.58 121.37 3khs h GLU 9 Ca 0.25 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.59 3khs h GLU 9 Cb -0.05 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 3khs h GLU 9 CO -0.08 -0.37 0.24 1.15 -0.73 0.00 0.00 179.01 179.23 3khs h THR 10 N -0.58 0.85 0.07 0.32 2.02 -0.65 -1.07 112.91 113.87 3khs h THR 10 Ca -0.04 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 66.99 3khs h THR 10 Cb 0.47 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3khs h THR 10 CO 0.06 0.08 -0.09 0.00 0.37 0.00 0.00 175.52 175.93 3khs h ALA 11 N 1.36 -0.17 -0.82 6.16 0.00 -0.18 -1.54 119.26 124.08 3khs h ALA 11 Ca 0.28 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.30 3khs h ALA 11 Cb 0.28 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3khs h ALA 11 CO -0.25 -0.61 0.54 0.00 0.00 0.00 0.00 179.25 178.93 3khs h ALA 12 N 0.71 1.93 -0.20 0.00 0.00 0.21 0.34 119.26 122.24 3khs h ALA 12 Ca 0.01 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 3khs h ALA 12 Cb 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3khs h ALA 12 CO -0.04 -0.14 -0.60 2.35 0.00 0.00 0.00 179.25 180.82 3khs h TRP 13 N 0.59 0.87 -0.14 0.00 7.01 -0.73 -2.99 115.95 120.57 3khs h TRP 13 Ca 0.40 -0.33 -0.20 0.00 2.11 0.00 0.00 58.89 60.87 3khs h TRP 13 Cb 0.72 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 3khs h TRP 13 CO -0.00 1.11 -0.73 -0.07 -2.79 0.00 0.00 178.44 175.95 3khs h LEU 14 N 0.51 0.76 -1.55 0.65 3.38 -0.07 -3.18 115.31 115.81 3khs h LEU 14 Ca -0.00 -0.49 0.15 0.00 0.09 0.00 0.00 57.88 57.63 3khs h LEU 14 Cb 1.18 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 3khs h LEU 14 CO 0.12 1.26 0.52 -1.13 0.09 0.00 0.00 178.44 179.30 3khs h ASN 15 N 0.45 0.41 -1.01 -0.43 -1.24 -0.34 -1.33 115.58 112.09 3khs h ASN 15 Ca -0.04 0.02 0.24 0.00 0.71 0.00 0.00 56.30 57.23 3khs h ASN 15 Cb 1.34 -0.06 -0.10 0.00 0.73 0.00 0.00 38.32 40.23 3khs h ASN 15 CO 0.14 0.21 0.64 0.11 -1.29 0.00 0.00 177.43 177.24 3khs h LYS 16 N 0.44 0.48 -0.54 6.67 1.57 -1.50 -0.69 116.57 123.00 3khs h LYS 16 Ca 0.38 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3khs h LYS 16 Cb 0.86 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3khs h LYS 16 CO -0.13 0.32 0.00 1.04 -0.57 0.00 0.00 179.45 180.11 3khs n GLN 17 N -4.67 2.35 -5.19 3.15 6.02 -0.50 -4.95 117.38 113.59 3khs n GLN 17 Ca 0.24 -1.91 -0.32 0.00 -0.01 0.00 0.00 57.00 55.00 3khs n GLN 17 Cb 0.77 -1.46 -0.15 0.00 1.02 0.00 0.00 30.24 30.41 3khs n GLN 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3khs s LEU 18 N -1.08 2.24 -0.11 1.08 1.43 -0.27 -5.01 118.68 116.96 3khs s LEU 18 Ca 0.35 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.99 3khs s LEU 18 Cb 0.19 -1.40 -0.26 0.00 0.03 0.00 0.00 46.19 44.75 3khs s LEU 18 CO 0.23 0.32 0.42 1.56 0.23 0.00 0.00 176.35 179.10 3khs h GLN 19 N 5.54 0.26 -4.69 1.70 1.08 -1.92 -3.46 115.11 113.62 3khs h GLN 19 Ca -0.42 -0.44 -0.56 0.00 -1.45 0.00 0.00 58.65 55.78 3khs h GLN 19 Cb 1.14 0.16 -0.34 0.00 -0.05 0.00 0.00 27.48 28.39 3khs h GLN 19 CO 0.48 1.17 -0.83 0.42 -0.95 0.00 0.00 178.83 179.12 3khs s ILE 20 N -2.56 1.35 0.24 2.54 1.01 -1.26 -5.12 121.20 117.40 3khs s ILE 20 Ca -0.20 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 3khs s ILE 20 Cb 0.07 -1.22 -0.09 0.00 0.01 0.00 0.00 42.46 41.22 3khs s ILE 20 CO 0.78 0.41 1.27 -0.13 0.00 0.00 0.00 174.94 177.27 3khs s ARG 21 N 0.76 4.42 0.41 2.79 0.52 -1.26 -4.96 118.95 121.63 3khs s ARG 21 Ca -0.12 2.05 -0.26 0.00 -0.52 0.00 0.00 55.73 56.87 3khs s ARG 21 Cb -0.16 -3.17 -0.09 0.00 0.52 0.00 0.00 34.95 32.06 3khs s ARG 21 CO 0.02 -0.16 1.38 -1.25 0.02 0.00 0.00 175.30 175.32 3khs s PRO 22 N -0.74 3.93 -0.00 3.54 0.04 -1.26 -4.88 135.00 135.63 3khs s PRO 22 Ca 0.53 2.33 0.05 0.00 0.04 0.00 0.00 61.00 63.94 3khs s PRO 22 Cb -0.36 -2.79 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 3khs s PRO 22 CO 0.42 -0.59 0.13 1.55 0.04 0.00 0.00 177.00 178.56 3khs n VAL 23 N 0.13 0.00 -5.04 -0.36 3.14 -0.31 -3.54 118.33 112.35 3khs n VAL 23 Ca 0.03 -0.19 -0.29 0.00 -2.96 0.00 0.00 64.34 60.94 3khs n VAL 23 Cb 0.42 0.55 -0.16 0.00 -1.06 0.00 0.00 33.84 33.59 3khs n VAL 23 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3khs s LEU 24 N -3.04 1.97 0.17 6.55 2.96 -1.06 -0.39 118.68 125.85 3khs s LEU 24 Ca -0.01 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.54 3khs s LEU 24 Cb 0.03 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 3khs s LEU 24 CO 0.20 0.17 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.49 3khs s GLY 25 N 0.14 1.73 -0.01 7.98 0.00 0.12 -1.36 107.32 115.93 3khs s GLY 25 Ca -0.09 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.20 3khs s GLY 25 CO 0.05 -1.45 0.01 -0.42 0.00 0.00 0.00 173.10 171.29 3khs s ILE 26 N -1.68 0.03 -0.18 0.90 1.01 0.13 -0.42 121.20 121.00 3khs s ILE 26 Ca 0.25 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.97 3khs s ILE 26 Cb -0.09 -0.08 0.02 0.00 0.01 0.00 0.00 42.46 42.32 3khs s ILE 26 CO 0.16 0.05 -0.20 -0.69 0.00 0.00 0.00 174.94 174.26 3khs s VAL 27 N 0.42 2.08 -0.24 2.92 1.01 -0.36 0.72 120.40 126.96 3khs s VAL 27 Ca -0.04 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 3khs s VAL 27 Cb -0.05 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3khs s VAL 27 CO -0.01 0.54 0.48 0.00 0.00 0.00 0.00 175.10 176.11 3khs n GLY 29 N 4.29 -1.38 3.66 0.00 0.00 -1.01 -3.28 105.19 107.47 3khs n GLY 29 Ca -0.05 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3khs n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khs s SER 30 N -1.18 6.52 0.00 1.61 0.01 -1.26 -2.26 113.70 117.13 3khs s SER 30 Ca 0.00 2.54 0.00 0.00 1.31 0.00 0.00 55.95 59.80 3khs s SER 30 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3khs s SER 30 CO 0.00 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.25 3khs n GLY 31 N 4.42 0.40 1.39 3.44 0.00 -1.26 -4.59 105.19 108.98 3khs n GLY 31 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 3khs n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3khs n LEU 32 N 0.00 4.78 -0.16 0.99 4.77 -0.96 -4.66 117.00 121.75 3khs n LEU 32 Ca 0.00 -3.46 -0.07 0.00 -0.03 0.00 0.00 56.01 52.46 3khs n LEU 32 Cb 0.14 -0.66 0.02 0.00 -2.33 0.00 0.00 43.42 40.59 3khs n LEU 32 CO 0.00 1.00 1.07 1.23 -1.33 0.00 0.00 177.39 179.36 3khs h GLY 33 N 1.51 0.69 -1.55 -0.72 0.00 -1.89 -2.94 103.07 98.16 3khs h GLY 33 Ca 0.23 -0.24 0.46 0.00 0.00 0.00 0.00 47.33 47.78 3khs h GLY 33 CO 0.51 0.23 1.33 0.50 0.00 0.00 0.00 176.54 179.11 3khs h LYS 34 N 0.64 0.00 -0.86 4.80 1.79 -1.94 0.41 116.57 121.41 3khs h LYS 34 Ca 0.18 0.00 0.22 0.00 -2.18 0.00 0.00 60.65 58.87 3khs h LYS 34 Cb -0.05 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.55 3khs h LYS 34 CO -0.05 0.00 0.59 0.82 -1.08 0.00 0.00 179.45 179.72 3khs h ILE 35 N 0.00 0.64 -0.13 1.86 2.04 -1.83 -1.13 117.51 118.96 3khs h ILE 35 Ca 0.76 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 66.49 3khs h ILE 35 Cb 3.41 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.88 3khs h ILE 35 CO -0.01 0.04 -0.17 1.23 0.00 0.00 0.00 178.15 179.24 3khs h GLY 36 N 0.22 0.23 2.00 5.37 0.00 -0.42 -2.25 103.07 108.22 3khs h GLY 36 Ca 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3khs h GLY 36 CO -0.10 0.14 0.00 1.22 0.00 0.00 0.00 176.54 177.80 3khs n ASP 37 N -4.24 0.36 0.06 0.19 8.00 -0.43 -1.47 116.55 119.01 3khs n ASP 37 Ca -0.01 0.65 0.10 0.00 0.71 0.00 0.00 54.79 56.24 3khs n ASP 37 Cb 0.29 -0.70 0.43 0.00 -0.02 0.00 0.00 41.12 41.12 3khs n ASP 37 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3khs n SER 38 N -1.96 0.35 -4.71 -2.24 2.88 -0.85 -4.74 113.62 102.35 3khs n SER 38 Ca -0.00 0.57 -0.41 0.00 -1.33 0.00 0.00 58.87 57.70 3khs n SER 38 Cb 0.06 -0.65 -0.04 0.00 -0.75 0.00 0.00 64.21 62.83 3khs n SER 38 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3khs s LEU 39 N -3.73 4.36 0.16 2.46 1.02 -0.55 -4.68 118.68 117.72 3khs s LEU 39 Ca 0.07 1.50 -0.07 0.00 0.02 0.00 0.00 54.13 55.65 3khs s LEU 39 Cb 0.11 -3.40 -0.06 0.00 0.02 0.00 0.00 46.19 42.86 3khs s LEU 39 CO 0.39 -0.20 0.43 -1.61 0.02 0.00 0.00 176.35 175.38 3khs s GLU 40 N 0.90 3.69 -1.31 1.70 2.02 0.72 -4.35 118.70 122.07 3khs s GLU 40 Ca 0.47 0.06 -0.06 0.00 0.02 0.00 0.00 54.97 55.45 3khs s GLU 40 Cb -0.20 -2.80 -0.00 0.00 0.10 0.00 0.00 34.13 31.23 3khs s GLU 40 CO 0.25 0.43 0.57 2.41 0.02 0.00 0.00 175.26 178.93 3khs n THR 41 N 0.11 -4.07 -3.44 3.63 -1.04 -1.26 -1.73 114.28 106.48 3khs n THR 41 Ca -0.02 -0.63 -0.36 0.00 -2.04 0.00 0.00 64.05 60.99 3khs n THR 41 Cb 0.52 -3.30 -0.06 0.00 -1.82 0.00 0.00 70.33 65.67 3khs n THR 41 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3khs s SER 42 N -4.11 6.82 -0.05 8.00 1.04 -1.26 -4.61 113.70 119.54 3khs s SER 42 Ca 0.14 1.01 0.01 0.00 0.48 0.00 0.00 55.95 57.59 3khs s SER 42 Cb -0.05 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.78 3khs s SER 42 CO 0.87 0.21 -0.07 0.27 0.98 0.00 0.00 173.24 175.51 3khs s ILE 43 N -1.28 3.71 -0.07 -1.02 -4.36 -0.09 -4.95 121.20 113.15 3khs s ILE 43 Ca 0.31 -0.56 0.05 0.00 -0.26 0.00 0.00 60.65 60.19 3khs s ILE 43 Cb -0.16 -2.54 -0.01 0.00 1.25 0.00 0.00 42.46 40.99 3khs s ILE 43 CO 0.17 0.54 -0.22 -0.89 0.24 0.00 0.00 174.94 174.77 3khs s THR 44 N -0.87 2.29 -0.18 8.37 2.01 -1.26 -0.97 115.64 125.03 3khs s THR 44 Ca 0.14 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.16 3khs s THR 44 Cb -0.11 -1.86 0.04 0.00 0.01 0.00 0.00 72.50 70.59 3khs s THR 44 CO 0.03 0.57 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.79 3khs s VAL 45 N -0.15 1.19 0.42 3.82 1.01 -0.16 -4.99 120.40 121.55 3khs s VAL 45 Ca -0.03 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 3khs s VAL 45 Cb -0.14 -1.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.77 3khs s VAL 45 CO 0.04 0.09 1.35 0.00 0.00 0.00 0.00 175.10 176.57 3khs s ALA 46 N 1.59 3.25 0.36 5.51 0.00 -1.26 -0.80 121.76 130.42 3khs s ALA 46 Ca -0.00 1.32 0.07 0.00 0.00 0.00 0.00 51.96 53.34 3khs s ALA 46 Cb -0.16 -3.53 0.76 0.00 0.00 0.00 0.00 23.12 20.20 3khs s ALA 46 CO -0.08 -0.96 1.94 1.88 0.00 0.00 0.00 175.76 178.54 3khs h TYR 47 N 2.55 0.77 0.00 0.00 0.05 -1.57 -1.63 116.97 117.14 3khs h TYR 47 Ca -0.50 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.30 3khs h TYR 47 Cb 1.25 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.74 3khs h TYR 47 CO 0.52 0.38 -0.01 0.66 -1.05 0.00 0.00 178.16 178.66 3khs h SER 48 N 0.74 0.00 0.18 3.88 4.64 -1.90 -1.32 113.55 119.78 3khs h SER 48 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3khs h SER 48 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3khs h SER 48 CO -0.13 0.01 -0.70 0.47 -0.87 0.00 0.00 176.83 175.61 3khs n ASP 49 N -3.35 0.97 -4.69 4.97 8.00 -0.62 -4.89 116.55 116.94 3khs n ASP 49 Ca -0.03 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.24 3khs n ASP 49 Cb 0.11 0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 41.79 3khs n ASP 49 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3khs s ILE 50 N -2.89 4.84 0.26 0.53 1.01 -0.50 -5.00 121.20 119.46 3khs s ILE 50 Ca 0.12 1.89 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 3khs s ILE 50 Cb 0.17 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 3khs s ILE 50 CO 0.74 0.05 1.45 -2.84 0.00 0.00 0.00 174.94 174.34 3khs s PRO 51 N 1.80 4.26 0.00 2.79 0.02 -1.26 -2.92 135.00 139.68 3khs s PRO 51 Ca 0.45 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3khs s PRO 51 Cb -0.18 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3khs s PRO 51 CO 0.18 -0.43 0.00 0.09 -0.33 0.00 0.00 177.00 176.51 3khs n ASN 52 N 2.16 0.00 -4.74 2.53 3.02 -1.26 -4.69 115.26 112.29 3khs n ASN 52 Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 3khs n ASN 52 Cb 0.40 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 3khs n ASN 52 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3khs s PHE 53 N -2.57 3.24 0.19 3.10 0.40 -1.15 -4.93 117.98 116.27 3khs s PHE 53 Ca 0.00 1.17 -0.31 0.00 -0.60 0.00 0.00 56.93 57.19 3khs s PHE 53 Cb 0.00 -3.63 -0.16 0.00 0.51 0.00 0.00 43.02 39.74 3khs s PHE 53 CO 0.00 -2.01 1.05 -2.30 0.70 0.00 0.00 175.22 172.66 3khs n PRO 54 N 2.77 1.02 -1.67 0.24 -0.02 -1.26 -4.83 135.00 131.25 3khs n PRO 54 Ca 0.07 0.36 -0.44 0.00 -2.02 0.00 0.00 63.50 61.46 3khs n PRO 54 Cb 0.42 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 3khs n PRO 54 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3khs n VAL 55 N 1.02 0.65 -1.52 -1.45 0.31 -1.26 -4.98 118.33 111.10 3khs n VAL 55 Ca 0.14 -0.12 -0.18 0.00 -0.01 0.00 0.00 64.34 64.18 3khs n VAL 55 Cb 0.26 -2.13 0.12 0.00 -0.91 0.00 0.00 33.84 31.18 3khs n VAL 55 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3khs n GLY 56 N 4.45 -1.41 0.03 2.92 0.00 -1.26 -5.10 105.19 104.82 3khs n GLY 56 Ca 0.21 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3khs n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3khs n SER 57 N -3.54 0.00 -3.91 1.61 3.41 -1.26 -5.17 113.62 104.76 3khs n SER 57 Ca 0.10 -1.05 -0.30 0.00 -0.26 0.00 0.00 58.87 57.36 3khs n SER 57 Cb 0.35 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 64.15 3khs n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3khs s ALA 62 N 0.00 3.06 0.62 7.33 0.00 -1.26 -5.31 121.76 126.20 3khs s ALA 62 Ca 0.00 -3.10 -0.15 0.00 0.00 0.00 0.00 51.96 48.71 3khs s ALA 62 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 3khs s ALA 62 CO 0.00 -2.01 1.07 0.20 0.00 0.00 0.00 175.76 175.02 3khs s GLY 63 N -0.11 2.07 0.04 0.00 0.00 -1.26 -4.96 107.32 103.10 3khs s GLY 63 Ca 0.17 0.39 -0.17 0.00 0.00 0.00 0.00 44.72 45.11 3khs s GLY 63 CO -0.00 0.72 0.39 -1.35 0.00 0.00 0.00 173.10 172.85 3khs s SER 64 N -2.86 -0.25 -0.16 1.64 1.04 -1.12 -1.40 113.70 110.59 3khs s SER 64 Ca 0.64 -0.01 -0.04 0.00 0.48 0.00 0.00 55.95 57.02 3khs s SER 64 Cb -0.17 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 3khs s SER 64 CO 0.40 -0.63 -0.03 -0.22 0.98 0.00 0.00 173.24 173.74 3khs s LEU 65 N -1.93 3.23 -0.12 2.42 2.96 0.02 -0.70 118.68 124.56 3khs s LEU 65 Ca -0.06 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3khs s LEU 65 Cb -0.01 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3khs s LEU 65 CO -0.02 0.15 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.39 3khs s ILE 66 N 0.47 2.89 -0.11 6.68 1.01 0.56 -0.98 121.20 131.71 3khs s ILE 66 Ca -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.90 3khs s ILE 66 Cb -0.14 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.11 3khs s ILE 66 CO 0.03 0.53 -0.13 -0.36 0.00 0.00 0.00 174.94 175.01 3khs s PHE 67 N 0.31 2.79 -1.09 3.97 0.40 -0.14 0.33 117.98 124.55 3khs s PHE 67 Ca -0.12 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 3khs s PHE 67 Cb -0.16 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.57 3khs s PHE 67 CO 0.06 -0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.28 3khs n GLY 68 N 3.24 -1.44 3.67 4.36 0.00 -0.64 -0.91 105.19 113.47 3khs n GLY 68 Ca -0.18 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 3khs n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3khs s SER 69 N -1.02 4.74 -0.09 1.61 1.04 -0.71 0.54 113.70 119.82 3khs s SER 69 Ca 0.00 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 3khs s SER 69 Cb 0.00 -0.97 0.04 0.00 0.10 0.00 0.00 66.02 65.19 3khs s SER 69 CO 0.00 0.02 0.21 -0.69 0.98 0.00 0.00 173.24 173.76 3khs s VAL 70 N -2.12 -0.06 -1.55 5.02 1.01 -0.48 -0.20 120.40 122.02 3khs s VAL 70 Ca 0.30 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.28 3khs s VAL 70 Cb -0.07 -0.33 0.16 0.00 0.00 0.00 0.00 36.38 36.13 3khs s VAL 70 CO 0.20 0.07 0.62 0.59 0.00 0.00 0.00 175.10 176.58 3khs n ASN 71 N 4.28 -2.77 0.00 3.32 3.02 -1.26 -0.01 115.26 121.84 3khs n ASN 71 Ca -0.25 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 3khs n ASN 71 Cb 0.52 -2.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 3khs n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3khs n GLY 72 N -1.18 0.71 3.45 7.41 0.00 -1.26 -4.89 105.19 109.43 3khs n GLY 72 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3khs n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khs s VAL 73 N -2.78 3.35 -0.04 1.61 1.01 0.99 -4.84 120.40 119.70 3khs s VAL 73 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 3khs s VAL 73 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3khs s VAL 73 CO 0.00 0.54 1.16 -0.94 0.00 0.00 0.00 175.10 175.86 3khs s SER 74 N 0.01 7.10 0.20 3.32 1.04 -1.26 -1.38 113.70 122.72 3khs s SER 74 Ca -0.02 1.81 0.06 0.00 0.48 0.00 0.00 55.95 58.28 3khs s SER 74 Cb -0.14 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.37 3khs s SER 74 CO 0.04 -0.53 -0.12 0.00 0.98 0.00 0.00 173.24 173.61 3khs s VAL 76 N -3.10 1.59 -0.07 0.00 0.11 -0.46 -1.62 120.40 116.85 3khs s VAL 76 Ca 0.22 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.54 3khs s VAL 76 Cb 0.01 -1.39 0.01 0.00 -1.53 0.00 0.00 36.38 33.47 3khs s VAL 76 CO 0.06 0.46 -0.16 0.00 -3.33 0.00 0.00 175.10 172.12 3khs s MET 78 N 0.47 3.97 -0.88 0.00 -1.94 0.22 -0.33 119.30 120.81 3khs s MET 78 Ca -0.14 0.12 -0.13 0.00 -1.71 0.00 0.00 55.69 53.83 3khs s MET 78 Cb -0.16 -3.68 0.23 0.00 2.01 0.00 0.00 34.83 33.23 3khs s MET 78 CO 0.05 -0.37 0.83 0.15 -0.01 0.00 0.00 175.02 175.67 3khs s LYS 79 N 2.22 3.70 0.00 2.03 1.02 0.12 -0.56 119.74 128.27 3khs s LYS 79 Ca 0.18 -2.61 0.00 0.00 0.02 0.00 0.00 55.97 53.56 3khs s LYS 79 Cb -0.16 -4.44 0.00 0.00 -0.52 0.00 0.00 37.83 32.71 3khs s LYS 79 CO 0.10 -1.28 0.00 0.41 -0.92 0.00 0.00 175.35 173.66 3khs n GLY 80 N 3.71 2.97 1.49 -3.33 0.00 -1.21 -2.77 105.19 106.05 3khs n GLY 80 Ca 0.16 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 3khs n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3khs n ARG 81 N 0.53 0.77 -5.04 1.61 1.85 -1.26 -4.77 116.66 110.35 3khs n ARG 81 Ca 0.00 -1.53 -0.31 0.00 -1.00 0.00 0.00 57.85 55.01 3khs n ARG 81 Cb 0.00 0.84 -0.15 0.00 -1.05 0.00 0.00 32.46 32.11 3khs n ARG 81 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3khs s PHE 82 N -2.23 2.43 0.13 2.89 0.08 -1.26 -5.12 117.98 114.91 3khs s PHE 82 Ca 0.09 -0.35 0.09 0.00 0.12 0.00 0.00 56.93 56.88 3khs s PHE 82 Cb 0.00 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 3khs s PHE 82 CO 0.07 0.09 -0.21 -1.01 -0.10 0.00 0.00 175.22 174.06 3khs s HIS 83 N -0.73 1.87 0.37 0.36 3.76 -1.26 -4.86 115.29 114.81 3khs s HIS 83 Ca 0.11 -0.43 0.09 0.00 -0.15 0.00 0.00 55.06 54.68 3khs s HIS 83 Cb -0.10 -0.99 0.82 0.00 1.11 0.00 0.00 32.58 33.42 3khs s HIS 83 CO 0.01 0.28 1.91 -0.07 -0.85 0.00 0.00 174.74 176.01 3khs h LEU 84 N 3.74 0.62 -0.78 0.89 4.07 -1.81 -1.45 115.31 120.59 3khs h LEU 84 Ca -0.45 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.53 3khs h LEU 84 Cb 1.19 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.83 3khs h LEU 84 CO 0.44 0.35 0.00 0.00 -1.08 0.00 0.00 178.44 178.14 3khs n TYR 85 N -4.52 0.65 0.57 1.13 4.11 -1.24 -1.58 117.16 116.28 3khs n TYR 85 Ca 0.15 0.28 0.13 0.00 -0.00 0.00 0.00 57.90 58.45 3khs n TYR 85 Cb 0.39 -0.95 0.34 0.00 -0.00 0.00 0.00 39.34 39.13 3khs n TYR 85 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 3khs h GLU 86 N 0.00 0.00 0.00 -3.48 5.08 -1.62 -3.44 114.58 111.12 3khs h GLU 86 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3khs h GLU 86 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3khs h GLU 86 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3khs n GLY 87 N 1.29 1.41 3.80 -3.84 0.00 -0.61 -5.09 105.19 102.15 3khs n GLY 87 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3khs n GLY 87 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3khs s HIS 88 N -1.97 3.03 0.73 1.61 3.76 -1.24 -5.04 115.29 116.17 3khs s HIS 88 Ca 0.00 1.55 -0.11 0.00 -0.15 0.00 0.00 55.06 56.35 3khs s HIS 88 Cb 0.00 -3.03 0.03 0.00 1.11 0.00 0.00 32.58 30.70 3khs s HIS 88 CO 0.00 -0.85 1.08 0.95 -0.85 0.00 0.00 174.74 175.07 3khs s THR 89 N -2.15 3.57 0.26 1.30 -4.23 -1.26 -4.49 115.64 108.64 3khs s THR 89 Ca 0.66 0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 61.62 3khs s THR 89 Cb -0.16 -3.33 0.26 0.00 1.34 0.00 0.00 72.50 70.62 3khs s THR 89 CO 0.25 -0.66 1.94 0.00 -0.54 0.00 0.00 174.62 175.60 3khs h ALA 90 N -0.83 1.31 -0.47 3.99 0.00 -1.87 -0.55 119.26 120.84 3khs h ALA 90 Ca -0.45 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3khs h ALA 90 Cb 1.24 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3khs h ALA 90 CO 0.60 0.64 0.09 0.00 0.00 0.00 0.00 179.25 180.58 3khs h ALA 91 N 1.39 0.62 -0.06 0.00 0.00 -1.81 -2.50 119.26 116.90 3khs h ALA 91 Ca 0.36 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3khs h ALA 91 Cb -0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3khs h ALA 91 CO -0.08 0.33 0.03 -0.09 0.00 0.00 0.00 179.25 179.43 3khs h ARG 92 N 0.63 0.08 0.00 0.00 9.65 -1.75 -2.47 114.38 120.52 3khs h ARG 92 Ca 0.14 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3khs h ARG 92 Cb 0.36 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 3khs h ARG 92 CO 0.01 0.18 0.00 0.00 2.80 0.00 0.00 179.97 182.96 3khs h ALA 93 N 0.89 1.00 -0.45 2.80 0.00 -1.07 -1.76 119.26 120.68 3khs h ALA 93 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3khs h ALA 93 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3khs h ALA 93 CO -0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 3khs n THR 94 N -2.33 1.84 -0.28 0.00 -2.24 -0.95 -4.49 114.28 105.84 3khs n THR 94 Ca 0.01 -1.38 -0.05 0.00 -2.27 0.00 0.00 64.05 60.36 3khs n THR 94 Cb 0.21 0.07 0.09 0.00 -2.10 0.00 0.00 70.33 68.60 3khs n THR 94 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3khs h PHE 95 N 2.85 1.18 -0.26 4.78 3.57 -0.87 -2.54 116.94 125.65 3khs h PHE 95 Ca 0.00 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.46 3khs h PHE 95 Cb 1.31 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3khs h PHE 95 CO 0.57 0.88 0.18 -1.35 -2.23 0.00 0.00 178.31 176.36 3khs h PRO 96 N 1.14 0.20 -0.15 6.41 0.11 -1.81 -1.20 132.00 136.71 3khs h PRO 96 Ca 0.27 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.25 3khs h PRO 96 Cb 0.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3khs h PRO 96 CO -0.03 0.13 -0.42 0.52 -0.21 0.00 0.00 178.00 177.99 3khs h MET 97 N 0.20 0.34 -0.08 1.05 2.86 -1.78 0.23 114.93 117.76 3khs h MET 97 Ca 0.11 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 3khs h MET 97 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3khs h MET 97 CO -0.02 0.71 -0.67 0.00 1.06 0.00 0.00 176.91 177.99 3khs h ARG 98 N 0.28 0.34 -0.50 1.72 3.08 -1.22 -2.27 114.38 115.81 3khs h ARG 98 Ca 0.02 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 3khs h ARG 98 Cb 0.87 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 3khs h ARG 98 CO 0.07 0.89 -0.00 0.28 -1.07 0.00 0.00 179.97 180.14 3khs h VAL 99 N 0.24 1.26 -0.61 2.04 2.07 -0.67 -1.50 116.25 119.09 3khs h VAL 99 Ca -0.02 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.51 3khs h VAL 99 Cb 1.22 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 3khs h VAL 99 CO 0.11 0.38 0.26 -0.26 0.02 0.00 0.00 177.57 178.08 3khs h PHE 100 N 0.74 0.46 -0.15 1.57 -1.00 -0.33 -0.45 116.94 117.78 3khs h PHE 100 Ca 0.14 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.95 3khs h PHE 100 Cb 0.52 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 3khs h PHE 100 CO 0.04 0.15 0.10 -0.22 -1.61 0.00 0.00 178.31 176.77 3khs h LYS 101 N 0.47 0.20 0.00 1.51 3.64 -1.01 -1.97 116.57 119.41 3khs h LYS 101 Ca 0.30 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3khs h LYS 101 Cb 0.33 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3khs h LYS 101 CO -0.27 0.15 -0.01 0.00 -2.27 0.00 0.00 179.45 177.06 3khs h ALA 102 N 1.04 1.09 -0.00 5.00 0.00 -0.42 -0.05 119.26 125.91 3khs h ALA 102 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3khs h ALA 102 Cb -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3khs h ALA 102 CO -0.01 0.01 -0.27 1.28 0.00 0.00 0.00 179.25 180.26 3khs n LEU 103 N -3.22 0.69 0.00 0.00 4.77 -0.26 -4.90 117.00 114.09 3khs n LEU 103 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3khs n LEU 103 Cb 0.12 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3khs n LEU 103 CO 0.23 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3khs n GLY 104 N 1.37 0.88 3.77 -0.72 0.00 -0.03 -4.32 105.19 106.14 3khs n GLY 104 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3khs n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khs s VAL 105 N -2.00 2.10 -0.06 1.61 1.01 -0.83 -4.63 120.40 117.61 3khs s VAL 105 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.14 3khs s VAL 105 Cb 0.00 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 3khs s VAL 105 CO 0.00 0.02 0.05 0.29 0.00 0.00 0.00 175.10 175.46 3khs n LYS 106 N 1.10 2.32 -4.59 2.72 5.02 0.48 -4.71 118.16 120.49 3khs n LYS 106 Ca 0.03 -0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 3khs n LYS 106 Cb 0.39 -1.18 -0.16 0.00 -0.02 0.00 0.00 35.03 34.06 3khs n LYS 106 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3khs s ILE 107 N -2.24 1.06 -0.08 -0.18 1.01 -1.15 -1.15 121.20 118.47 3khs s ILE 107 Ca -0.03 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.13 3khs s ILE 107 Cb 0.03 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.59 3khs s ILE 107 CO 0.29 0.31 -0.20 -0.69 0.00 0.00 0.00 174.94 174.66 3khs s VAL 108 N 0.02 1.69 -0.25 2.92 1.01 0.62 0.15 120.40 126.56 3khs s VAL 108 Ca -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3khs s VAL 108 Cb -0.09 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.83 3khs s VAL 108 CO 0.01 0.48 -0.02 -0.69 0.00 0.00 0.00 175.10 174.88 3khs s VAL 109 N 0.37 3.27 0.13 2.92 1.01 0.44 -1.56 120.40 126.98 3khs s VAL 109 Ca -0.15 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.10 3khs s VAL 109 Cb -0.16 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3khs s VAL 109 CO 0.06 0.22 -0.11 -0.76 0.00 0.00 0.00 175.10 174.51 3khs s LEU 110 N 1.41 2.96 0.10 3.92 1.43 0.15 -1.22 118.68 127.42 3khs s LEU 110 Ca 0.02 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 3khs s LEU 110 Cb -0.16 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3khs s LEU 110 CO -0.02 0.15 -0.08 0.42 0.23 0.00 0.00 176.35 177.05 3khs s THR 111 N -1.35 0.82 0.24 5.49 -4.23 -0.84 -0.86 115.64 114.92 3khs s THR 111 Ca 0.22 -1.76 -0.20 0.00 -1.18 0.00 0.00 61.69 58.76 3khs s THR 111 Cb -0.10 -1.48 0.03 0.00 1.34 0.00 0.00 72.50 72.28 3khs s THR 111 CO 0.14 -0.70 0.65 0.54 -0.54 0.00 0.00 174.62 174.70 3khs s ASN 112 N -2.71 -0.32 -0.14 3.99 2.20 -1.05 -2.41 114.94 114.50 3khs s ASN 112 Ca 0.08 -0.47 -0.04 0.00 -0.94 0.00 0.00 52.86 51.48 3khs s ASN 112 Cb 0.01 0.67 -0.03 0.00 -2.00 0.00 0.00 41.25 39.89 3khs s ASN 112 CO -0.02 -1.21 0.02 0.00 -2.94 0.00 0.00 177.10 172.95 3khs s ALA 113 N -3.88 3.28 0.17 3.54 0.00 -1.26 -0.14 121.76 123.46 3khs s ALA 113 Ca 0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 3khs s ALA 113 Cb -0.04 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 3khs s ALA 113 CO 0.01 0.35 0.11 0.00 0.00 0.00 0.00 175.76 176.24 3khs s ALA 114 N -0.13 0.92 -0.21 0.00 0.00 0.21 -4.81 121.76 117.73 3khs s ALA 114 Ca 0.05 -1.52 -0.14 0.00 0.00 0.00 0.00 51.96 50.35 3khs s ALA 114 Cb -0.12 1.10 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 3khs s ALA 114 CO 0.02 -0.55 0.32 0.20 0.00 0.00 0.00 175.76 175.74 3khs s GLY 115 N -3.09 2.05 0.16 0.00 0.00 -0.53 -1.52 107.32 104.39 3khs s GLY 115 Ca 0.30 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.08 3khs s GLY 115 CO 0.06 0.68 0.97 -0.32 0.00 0.00 0.00 173.10 174.49 3khs s GLY 116 N 1.04 3.03 -0.06 0.20 0.00 0.54 -0.88 107.32 111.18 3khs s GLY 116 Ca 0.15 0.61 0.07 0.00 0.00 0.00 0.00 44.72 45.55 3khs s GLY 116 CO 0.07 1.39 0.06 1.04 0.00 0.00 0.00 173.10 175.66 3khs n LEU 117 N 2.36 0.00 -4.69 0.66 4.77 0.76 -0.96 117.00 119.91 3khs n LEU 117 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 3khs n LEU 117 Cb 0.48 0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 3khs n LEU 117 CO 0.51 0.15 1.39 0.21 -1.33 0.00 0.00 177.39 178.32 3khs s ASN 118 N -3.75 6.54 0.58 -1.43 3.84 -0.53 -4.88 114.94 115.31 3khs s ASN 118 Ca -0.04 2.58 0.31 0.00 0.21 0.00 0.00 52.86 55.92 3khs s ASN 118 Cb 0.03 -2.56 1.37 0.00 -0.55 0.00 0.00 41.25 39.54 3khs s ASN 118 CO 0.32 -0.93 1.73 -0.65 -2.79 0.00 0.00 177.10 174.78 3khs h PRO 119 N 8.54 0.00 -0.06 0.43 0.11 -1.92 -1.16 132.00 137.94 3khs h PRO 119 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3khs h PRO 119 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3khs h PRO 119 CO 0.94 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.60 3khs n SER 120 N -3.71 2.63 -4.81 -2.05 3.41 -1.26 -4.93 113.62 102.91 3khs n SER 120 Ca 0.16 -1.87 -0.35 0.00 -0.26 0.00 0.00 58.87 56.56 3khs n SER 120 Cb 1.03 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.89 3khs n SER 120 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3khs s TYR 121 N -1.95 3.48 0.07 7.33 1.51 -0.44 -5.07 117.35 122.27 3khs s TYR 121 Ca 0.31 1.64 0.04 0.00 -1.01 0.00 0.00 57.07 58.06 3khs s TYR 121 Cb 0.20 -2.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 3khs s TYR 121 CO 0.31 0.05 -0.12 1.03 -1.11 0.00 0.00 175.55 175.70 3khs s ARG 122 N -2.68 0.78 0.23 -0.62 0.52 -1.26 -4.96 118.95 110.95 3khs s ARG 122 Ca 0.56 -0.97 -0.32 0.00 -0.52 0.00 0.00 55.73 54.49 3khs s ARG 122 Cb -0.13 -0.69 -0.13 0.00 0.52 0.00 0.00 34.95 34.52 3khs s ARG 122 CO 0.18 0.14 1.57 -0.35 0.02 0.00 0.00 175.30 176.86 3khs n PRO 123 N 1.16 2.41 0.00 3.54 -0.04 -1.26 -1.31 135.00 139.50 3khs n PRO 123 Ca -0.20 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 3khs n PRO 123 Cb 0.55 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 3khs n PRO 123 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3khs n GLY 124 N 2.90 2.79 3.64 0.55 0.00 0.40 -5.02 105.19 110.46 3khs n GLY 124 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3khs n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3khs s ASP 125 N -1.13 2.42 -0.06 1.61 1.01 -0.43 -4.74 116.67 115.36 3khs s ASP 125 Ca 0.00 1.35 0.06 0.00 0.71 0.00 0.00 52.55 54.67 3khs s ASP 125 Cb 0.00 -2.03 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 3khs s ASP 125 CO 0.00 -3.28 -0.24 -0.36 0.21 0.00 0.00 175.17 171.50 3khs s PHE 126 N -2.84 2.47 -0.26 4.23 2.99 0.49 -0.44 117.98 124.61 3khs s PHE 126 Ca 0.66 -0.72 0.03 0.00 0.00 0.00 0.00 56.93 56.90 3khs s PHE 126 Cb -0.20 -1.61 0.06 0.00 0.00 0.00 0.00 43.02 41.27 3khs s PHE 126 CO 0.59 -0.21 -0.09 1.41 -0.00 0.00 0.00 175.22 176.91 3khs s MET 127 N -0.14 2.13 0.15 0.44 1.75 0.12 0.14 119.30 123.89 3khs s MET 127 Ca -0.04 -1.36 -0.30 0.00 -1.25 0.00 0.00 55.69 52.73 3khs s MET 127 Cb -0.14 -2.89 -0.08 0.00 2.84 0.00 0.00 34.83 34.57 3khs s MET 127 CO 0.04 -0.60 1.24 0.08 -0.65 0.00 0.00 175.02 175.13 3khs s VAL 128 N 1.11 3.59 -0.23 10.11 1.01 0.57 -0.40 120.40 136.17 3khs s VAL 128 Ca -0.07 1.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.91 3khs s VAL 128 Cb -0.20 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 3khs s VAL 128 CO -0.05 0.16 0.82 -0.69 0.00 0.00 0.00 175.10 175.34 3khs s VAL 129 N 0.42 4.85 -0.10 2.92 1.01 0.26 -1.38 120.40 128.38 3khs s VAL 129 Ca 0.57 1.57 0.21 0.00 0.00 0.00 0.00 61.98 64.33 3khs s VAL 129 Cb -0.33 -4.12 -0.33 0.00 0.00 0.00 0.00 36.38 31.61 3khs s VAL 129 CO 0.34 -0.05 0.50 -2.11 0.00 0.00 0.00 175.10 173.79 3khs n ARG 130 N 5.81 0.61 -3.71 2.72 1.85 -0.22 -4.67 116.66 119.05 3khs n ARG 130 Ca 0.05 -0.18 -0.03 0.00 -1.00 0.00 0.00 57.85 56.69 3khs n ARG 130 Cb 0.48 -1.51 -0.01 0.00 -1.05 0.00 0.00 32.46 30.37 3khs n ARG 130 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3khs s ASP 131 N -4.35 -0.16 0.17 2.89 2.15 -1.24 -4.58 116.67 111.53 3khs s ASP 131 Ca -0.07 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.59 3khs s ASP 131 Cb 0.14 0.40 -0.04 0.00 -0.30 0.00 0.00 42.92 43.12 3khs s ASP 131 CO 0.89 -0.74 0.10 -1.38 -0.17 0.00 0.00 175.17 173.87 3khs s HIS 132 N -3.07 0.98 -0.23 -5.34 -3.43 -1.26 -0.91 115.29 102.04 3khs s HIS 132 Ca 0.12 -1.29 -0.01 0.00 -0.80 0.00 0.00 55.06 53.09 3khs s HIS 132 Cb 0.00 -0.50 0.06 0.00 -1.43 0.00 0.00 32.58 30.72 3khs s HIS 132 CO 0.00 -0.59 0.00 0.42 -2.00 0.00 0.00 174.74 172.58 3khs s ILE 133 N -4.10 1.02 -0.74 -5.38 1.01 -0.14 -4.91 121.20 107.96 3khs s ILE 133 Ca 0.31 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 3khs s ILE 133 Cb 0.07 -1.45 0.20 0.00 0.01 0.00 0.00 42.46 41.28 3khs s ILE 133 CO 0.07 -0.22 0.63 0.21 0.00 0.00 0.00 174.94 175.63 3khs s ASN 134 N 1.62 6.12 0.12 3.58 2.47 -1.26 -0.04 114.94 127.54 3khs s ASN 134 Ca -0.02 -2.77 -0.23 0.00 0.42 0.00 0.00 52.86 50.26 3khs s ASN 134 Cb -0.18 -2.06 -0.06 0.00 -1.45 0.00 0.00 41.25 37.50 3khs s ASN 134 CO -0.09 -0.48 1.68 -0.07 -3.72 0.00 0.00 177.10 174.42 3khs h LEU 135 N 7.45 -0.39 -1.35 3.21 3.38 -1.84 -2.58 115.31 123.19 3khs h LEU 135 Ca 0.06 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3khs h LEU 135 Cb 1.00 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 3khs h LEU 135 CO 0.74 -0.18 0.49 -0.65 0.09 0.00 0.00 178.44 178.93 3khs h PRO 136 N -0.20 0.76 0.00 1.13 0.11 -1.87 -1.43 132.00 130.51 3khs h PRO 136 Ca 0.06 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3khs h PRO 136 Cb 0.28 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3khs h PRO 136 CO -0.16 0.51 0.00 0.41 -0.21 0.00 0.00 178.00 178.54 3khs n GLY 137 N -1.44 -1.25 0.08 -0.55 0.00 -0.99 -1.29 105.19 99.75 3khs n GLY 137 Ca 0.11 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.20 3khs n GLY 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3khs n LEU 138 N -1.65 0.60 -2.98 0.99 4.77 -0.55 -4.44 117.00 113.74 3khs n LEU 138 Ca 0.05 0.21 -0.21 0.00 -0.03 0.00 0.00 56.01 56.03 3khs n LEU 138 Cb 0.25 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 3khs n LEU 138 CO 0.20 -0.12 -0.06 0.00 -1.33 0.00 0.00 177.39 176.08 3khs n ALA 139 N -2.16 3.31 0.00 -1.18 0.00 -1.00 -4.97 120.51 114.51 3khs n ALA 139 Ca -0.01 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.56 3khs n ALA 139 Cb 0.54 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3khs n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khs n GLY 140 N 0.00 0.79 2.47 0.00 0.00 -1.23 -4.97 105.19 102.26 3khs n GLY 140 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 3khs n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khs n ALA 141 N -1.98 0.52 -2.71 4.61 0.00 -0.41 -5.04 120.51 115.49 3khs n ALA 141 Ca 0.00 -2.38 -0.37 0.00 0.00 0.00 0.00 53.44 50.70 3khs n ALA 141 Cb 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 3khs n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3khs s ASN 142 N -1.75 6.48 0.06 0.00 3.84 -1.26 -3.24 114.94 119.06 3khs s ASN 142 Ca 0.31 0.56 0.10 0.00 0.21 0.00 0.00 52.86 54.04 3khs s ASN 142 Cb 0.30 -2.18 0.45 0.00 -0.55 0.00 0.00 41.25 39.27 3khs s ASN 142 CO -0.09 0.14 1.32 -0.81 -2.79 0.00 0.00 177.10 174.87 3khs n PRO 143 N 3.30 0.03 0.00 0.43 -0.04 -1.26 -1.59 135.00 135.87 3khs n PRO 143 Ca -0.12 0.41 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 3khs n PRO 143 Cb 0.52 -1.58 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 3khs n PRO 143 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3khs n LEU 144 N -1.65 2.70 -4.65 1.53 4.77 -1.26 -4.11 117.00 114.34 3khs n LEU 144 Ca 0.01 -1.00 -0.46 0.00 -0.03 0.00 0.00 56.01 54.53 3khs n LEU 144 Cb 0.09 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3khs n LEU 144 CO 0.08 0.46 1.07 0.41 -1.33 0.00 0.00 177.39 178.08 3khs n THR 145 N 1.15 0.40 0.00 -5.08 -1.04 -0.62 -4.71 114.28 104.38 3khs n THR 145 Ca 0.12 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3khs n THR 145 Cb 0.51 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 3khs n THR 145 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3khs n GLY 146 N 2.77 0.44 3.77 3.41 0.00 -1.26 -4.96 105.19 109.36 3khs n GLY 146 Ca 0.15 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 3khs n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3khs s PRO 147 N -0.56 4.06 -0.09 1.61 0.04 -1.26 -5.04 135.00 133.75 3khs s PRO 147 Ca 0.00 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.77 3khs s PRO 147 Cb 0.00 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 3khs s PRO 147 CO 0.00 -0.28 -0.17 1.21 0.04 0.00 0.00 177.00 177.80 3khs s ASN 148 N -1.33 3.69 -0.65 6.66 2.47 -1.26 -5.02 114.94 119.51 3khs s ASN 148 Ca 0.58 -0.37 -0.26 0.00 0.42 0.00 0.00 52.86 53.23 3khs s ASN 148 Cb -0.27 -1.25 0.04 0.00 -1.45 0.00 0.00 41.25 38.32 3khs s ASN 148 CO 0.34 0.22 1.13 -0.62 -3.72 0.00 0.00 177.10 174.45 3khs s ASP 149 N -0.00 6.27 0.15 -4.21 -1.08 -1.26 -4.89 116.67 111.65 3khs s ASP 149 Ca -0.05 -0.39 0.07 0.00 -0.52 0.00 0.00 52.55 51.65 3khs s ASP 149 Cb -0.15 -2.51 0.40 0.00 -1.46 0.00 0.00 42.92 39.21 3khs s ASP 149 CO 0.05 -1.55 1.11 0.47 0.52 0.00 0.00 175.17 175.77 3khs n ASP 150 N 8.43 0.19 -0.87 -0.34 9.92 -1.26 -0.29 116.55 132.32 3khs n ASP 150 Ca 0.03 0.47 0.11 0.00 -0.53 0.00 0.00 54.79 54.87 3khs n ASP 150 Cb 0.48 -0.46 0.10 0.00 -0.64 0.00 0.00 41.12 40.60 3khs n ASP 150 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3khs n THR 151 N -1.71 0.08 -0.08 -3.53 -2.24 -1.26 -4.23 114.28 101.30 3khs n THR 151 Ca -0.00 -0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 61.16 3khs n THR 151 Cb 0.20 1.37 -0.12 0.00 -2.10 0.00 0.00 70.33 69.67 3khs n THR 151 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3khs n GLU 152 N 1.21 1.39 -3.81 -0.78 4.71 0.60 -5.07 120.64 118.88 3khs n GLU 152 Ca 0.13 -0.01 0.03 0.00 -0.01 0.00 0.00 57.16 57.31 3khs n GLU 152 Cb 0.53 -1.41 0.01 0.00 -1.01 0.00 0.00 31.44 29.56 3khs n GLU 152 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3khs s GLY 153 N -4.97 -0.31 0.55 0.62 0.00 -1.06 -4.67 107.32 97.48 3khs s GLY 153 Ca -0.08 0.44 -0.19 0.00 0.00 0.00 0.00 44.72 44.89 3khs s GLY 153 CO 0.65 3.39 1.14 -0.54 0.00 0.00 0.00 173.10 177.74 3khs s GLU 154 N -2.10 3.32 0.13 2.90 0.41 -1.26 -4.30 118.70 117.80 3khs s GLU 154 Ca 0.23 1.65 -0.12 0.00 -0.41 0.00 0.00 54.97 56.32 3khs s GLU 154 Cb 0.03 -2.01 -0.06 0.00 -1.78 0.00 0.00 34.13 30.32 3khs s GLU 154 CO -0.03 -0.89 1.46 -0.09 -0.49 0.00 0.00 175.26 175.22 3khs h ARG 155 N 1.18 0.89 -2.66 1.61 1.12 -1.94 -3.34 114.38 111.25 3khs h ARG 155 Ca -0.50 -0.48 -0.61 0.00 -1.11 0.00 0.00 59.98 57.28 3khs h ARG 155 Cb 1.27 0.02 -0.42 0.00 -0.01 0.00 0.00 29.97 30.83 3khs h ARG 155 CO 0.57 1.12 -0.58 1.19 -3.11 0.00 0.00 179.97 179.16 3khs n PHE 156 N -4.10 3.42 -2.28 2.20 3.72 -1.26 -5.06 117.46 114.10 3khs n PHE 156 Ca -0.03 -4.24 -0.41 0.00 -0.05 0.00 0.00 57.45 52.73 3khs n PHE 156 Cb 0.54 -0.59 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 3khs n PHE 156 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3khs s PRO 157 N -1.94 4.48 0.27 -1.08 0.04 -1.26 -5.00 135.00 130.51 3khs s PRO 157 Ca 0.32 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 3khs s PRO 157 Cb 0.05 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.36 3khs s PRO 157 CO -0.10 -0.03 1.15 0.45 0.04 0.00 0.00 177.00 178.52 3khs s SER 158 N -0.53 7.16 -0.19 6.66 0.15 -1.26 -4.93 113.70 120.75 3khs s SER 158 Ca 0.48 2.32 0.13 0.00 0.70 0.00 0.00 55.95 59.59 3khs s SER 158 Cb -0.36 -2.63 0.39 0.00 -1.71 0.00 0.00 66.02 61.72 3khs s SER 158 CO 0.46 -0.24 1.22 0.23 1.20 0.00 0.00 173.24 176.11 3khs n MET 159 N 1.38 1.55 0.19 5.44 2.81 -1.26 -4.73 117.12 122.50 3khs n MET 159 Ca 0.00 -3.08 0.03 0.00 -1.81 0.00 0.00 57.70 52.84 3khs n MET 159 Cb 0.44 -1.60 0.37 0.00 -0.71 0.00 0.00 33.22 31.72 3khs n MET 159 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3khs h THR 160 N 0.73 1.18 -2.03 2.03 2.02 -2.04 -3.33 112.91 111.48 3khs h THR 160 Ca 0.02 -1.31 -0.50 0.00 0.77 0.00 0.00 66.41 65.38 3khs h THR 160 Cb 1.06 1.72 -0.40 0.00 -1.74 0.00 0.00 68.15 68.79 3khs h THR 160 CO 0.03 0.36 -1.13 -1.20 0.37 0.00 0.00 175.52 173.96 3khs n SER 161 N -3.97 1.06 -0.32 4.18 7.64 -1.26 -4.94 113.62 116.01 3khs n SER 161 Ca -0.02 -3.02 -0.01 0.00 1.01 0.00 0.00 58.87 56.83 3khs n SER 161 Cb 0.42 -0.62 0.11 0.00 -1.01 0.00 0.00 64.21 63.11 3khs n SER 161 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3khs h VAL 162 N 1.36 1.14 -3.09 0.44 2.07 -1.90 -3.38 116.25 112.88 3khs h VAL 162 Ca 0.10 -0.37 -0.73 0.00 0.82 0.00 0.00 66.70 66.52 3khs h VAL 162 Cb 0.91 -0.04 -0.21 0.00 -1.52 0.00 0.00 31.29 30.43 3khs h VAL 162 CO 0.52 0.20 -0.09 -0.31 0.02 0.00 0.00 177.57 177.91 3khs s TYR 163 N -6.10 3.13 -0.45 1.57 2.02 -1.26 -4.11 117.35 112.15 3khs s TYR 163 Ca -0.13 -0.99 -0.45 0.00 -0.37 0.00 0.00 57.07 55.13 3khs s TYR 163 Cb 0.17 -3.71 -0.19 0.00 -0.40 0.00 0.00 41.96 37.84 3khs s TYR 163 CO 0.79 -1.07 1.76 -3.47 -1.57 0.00 0.00 175.55 172.00 3khs n ASP 164 N 5.74 1.40 -0.30 2.29 2.03 -0.94 -4.84 116.55 121.92 3khs n ASP 164 Ca -0.11 1.03 0.03 0.00 0.52 0.00 0.00 54.79 56.26 3khs n ASP 164 Cb 0.42 -0.95 0.22 0.00 -0.72 0.00 0.00 41.12 40.09 3khs n ASP 164 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3khs h LYS 165 N 6.58 1.05 -0.29 -0.67 1.57 -1.91 -1.46 116.57 121.44 3khs h LYS 165 Ca -0.37 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.21 3khs h LYS 165 Cb 1.37 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3khs h LYS 165 CO 1.00 0.69 -0.36 1.15 -0.57 0.00 0.00 179.45 181.36 3khs h THR 166 N 1.08 1.30 -0.23 -0.16 2.02 -1.98 -2.15 112.91 112.78 3khs h THR 166 Ca 0.37 -1.55 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 3khs h THR 166 Cb 0.11 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3khs h THR 166 CO -0.13 0.50 -0.03 -0.07 0.37 0.00 0.00 175.52 176.17 3khs h LEU 167 N 0.52 0.32 -0.11 2.58 3.38 -1.81 -1.43 115.31 118.76 3khs h LEU 167 Ca 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3khs h LEU 167 Cb 0.95 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3khs h LEU 167 CO 0.09 0.40 0.03 0.03 0.09 0.00 0.00 178.44 179.07 3khs h ARG 168 N 0.34 0.18 -0.77 1.13 3.08 -1.07 -1.07 114.38 116.20 3khs h ARG 168 Ca 0.08 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.16 3khs h ARG 168 Cb 0.27 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 3khs h ARG 168 CO 0.01 0.35 0.43 0.87 -1.07 0.00 0.00 179.97 180.56 3khs h LYS 169 N -0.03 0.73 -0.88 0.04 1.57 -0.78 0.94 116.57 118.17 3khs h LYS 169 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3khs h LYS 169 Cb 0.25 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3khs h LYS 169 CO 0.00 0.49 0.51 1.88 -0.57 0.00 0.00 179.45 181.76 3khs h TYR 170 N 0.76 1.17 -0.31 -1.35 0.05 -1.01 -1.20 116.97 115.08 3khs h TYR 170 Ca 0.36 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 59.08 3khs h TYR 170 Cb 0.29 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 3khs h TYR 170 CO -0.07 0.79 0.02 0.00 -1.05 0.00 0.00 178.16 177.85 3khs h ALA 171 N 1.28 0.41 -0.52 3.88 0.00 0.30 0.35 119.26 124.96 3khs h ALA 171 Ca 0.31 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3khs h ALA 171 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3khs h ALA 171 CO -0.06 0.14 0.04 0.82 0.00 0.00 0.00 179.25 180.19 3khs h ILE 172 N 0.34 1.26 -0.05 0.00 2.04 -0.66 -1.33 117.51 119.10 3khs h ILE 172 Ca 0.09 -1.03 -0.12 0.00 1.00 0.00 0.00 64.86 64.79 3khs h ILE 172 Cb 0.40 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3khs h ILE 172 CO 0.01 0.37 -0.53 0.77 0.00 0.00 0.00 178.15 178.77 3khs h SER 173 N 0.77 0.15 0.11 1.72 4.64 -1.18 -1.25 113.55 118.51 3khs h SER 173 Ca 0.15 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 3khs h SER 173 Cb 0.47 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3khs h SER 173 CO 0.02 0.66 -0.34 0.00 -0.87 0.00 0.00 176.83 176.30 3khs h ALA 174 N 1.35 1.12 -0.15 5.18 0.00 -0.65 0.12 119.26 126.22 3khs h ALA 174 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3khs h ALA 174 Cb 0.97 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3khs h ALA 174 CO 0.08 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 179.83 3khs h ALA 175 N 1.36 0.22 0.20 0.00 0.00 -0.81 -1.31 119.26 118.92 3khs h ALA 175 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3khs h ALA 175 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3khs h ALA 175 CO 0.06 0.00 -0.17 -0.09 0.00 0.00 0.00 179.25 179.04 3khs h ARG 176 N -0.00 -0.38 -0.86 0.00 2.43 -0.92 0.10 114.38 114.75 3khs h ARG 176 Ca 0.04 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.46 3khs h ARG 176 Cb 0.52 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 3khs h ARG 176 CO 0.02 -0.25 0.60 1.49 -1.51 0.00 0.00 179.97 180.32 3khs h GLU 177 N -0.39 0.15 -0.01 0.20 4.81 -0.69 0.35 114.58 119.00 3khs h GLU 177 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3khs h GLU 177 Cb 0.36 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3khs h GLU 177 CO -0.03 0.10 -0.18 1.28 -0.73 0.00 0.00 179.01 179.45 3khs n LEU 178 N -4.37 1.04 0.00 1.64 4.77 -0.50 -4.94 117.00 114.63 3khs n LEU 178 Ca 0.18 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3khs n LEU 178 Cb 0.83 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 3khs n LEU 178 CO 0.35 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3khs n GLY 179 N 1.29 0.63 0.33 -0.72 0.00 0.12 -4.97 105.19 101.88 3khs n GLY 179 Ca 0.14 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.48 3khs n GLY 179 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3khs n MET 180 N -2.11 2.06 -0.13 1.61 2.81 -0.06 -4.76 117.12 116.53 3khs n MET 180 Ca 0.00 -2.49 0.18 0.00 -1.81 0.00 0.00 57.70 53.58 3khs n MET 180 Cb 0.14 -1.52 0.56 0.00 -0.71 0.00 0.00 33.22 31.68 3khs n MET 180 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3khs h SER 181 N 0.64 0.28 1.40 7.83 4.64 -1.81 -0.74 113.55 125.78 3khs h SER 181 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3khs h SER 181 Cb 1.05 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3khs h SER 181 CO 0.06 0.14 -0.09 -1.22 -0.87 0.00 0.00 176.83 174.86 3khs n TYR 182 N -4.45 0.90 -0.30 4.77 4.01 -1.26 -3.33 117.16 117.51 3khs n TYR 182 Ca 0.14 0.26 0.06 0.00 -0.16 0.00 0.00 57.90 58.20 3khs n TYR 182 Cb 0.59 -0.91 0.16 0.00 -0.31 0.00 0.00 39.34 38.86 3khs n TYR 182 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3khs n ALA 183 N -1.80 2.29 -3.83 -0.72 0.00 -0.36 -4.94 120.51 111.16 3khs n ALA 183 Ca 0.05 -1.33 -0.33 0.00 0.00 0.00 0.00 53.44 51.83 3khs n ALA 183 Cb 0.43 -0.44 -0.16 0.00 0.00 0.00 0.00 19.45 19.28 3khs n ALA 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3khs s THR 184 N -1.30 2.19 0.53 0.00 2.01 -0.75 -0.38 115.64 117.94 3khs s THR 184 Ca 0.24 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.34 3khs s THR 184 Cb 0.15 -1.90 0.01 0.00 0.01 0.00 0.00 72.50 70.76 3khs s THR 184 CO 0.13 0.54 0.09 -1.00 -0.69 0.00 0.00 174.62 173.69 3khs s HIS 185 N 1.05 1.70 -0.09 4.92 0.09 0.12 -4.90 115.29 118.17 3khs s HIS 185 Ca -0.01 -0.98 -0.01 0.00 -0.00 0.00 0.00 55.06 54.06 3khs s HIS 185 Cb -0.14 -1.65 0.03 0.00 -0.00 0.00 0.00 32.58 30.81 3khs s HIS 185 CO -0.06 0.03 -0.00 -2.00 -0.00 0.00 0.00 174.74 172.70 3khs s GLU 186 N -4.00 0.71 0.01 1.40 2.12 -1.26 -0.31 118.70 117.37 3khs s GLU 186 Ca 0.08 0.02 -0.00 0.00 0.36 0.00 0.00 54.97 55.42 3khs s GLU 186 Cb -0.00 -1.15 0.00 0.00 0.26 0.00 0.00 34.13 33.23 3khs s GLU 186 CO 0.05 -0.33 0.01 0.41 -0.54 0.00 0.00 175.26 174.86 3khs n GLY 187 N 5.12 2.26 3.67 -1.50 0.00 -0.48 -4.92 105.19 109.35 3khs n GLY 187 Ca -0.08 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 3khs n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khs s VAL 188 N -2.85 5.19 -0.21 1.61 1.01 -1.26 -1.06 120.40 122.82 3khs s VAL 188 Ca 0.00 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 62.59 3khs s VAL 188 Cb -0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3khs s VAL 188 CO 0.00 0.25 0.28 -0.47 0.00 0.00 0.00 175.10 175.16 3khs s TYR 189 N 1.31 3.36 -0.27 5.22 5.04 -0.09 -1.35 117.35 130.58 3khs s TYR 189 Ca 0.20 0.45 -0.08 0.00 -2.44 0.00 0.00 57.07 55.19 3khs s TYR 189 Cb -0.15 -2.40 -0.03 0.00 0.35 0.00 0.00 41.96 39.74 3khs s TYR 189 CO 0.08 0.05 0.11 0.00 -1.34 0.00 0.00 175.55 174.45 3khs s VAL 192 N 0.65 2.31 0.09 0.00 -7.23 -0.77 -2.18 120.40 113.27 3khs s VAL 192 Ca 0.07 -2.07 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 3khs s VAL 192 Cb -0.12 -2.77 -0.07 0.00 0.56 0.00 0.00 36.38 33.97 3khs s VAL 192 CO 0.01 -0.15 1.54 -1.13 -0.31 0.00 0.00 175.10 175.05 3khs h ASN 193 N 1.88 0.45 -4.03 4.85 -1.24 -1.92 -3.39 115.58 112.18 3khs h ASN 193 Ca -0.43 -0.29 0.00 0.00 0.71 0.00 0.00 56.30 56.29 3khs h ASN 193 Cb 1.25 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.18 3khs h ASN 193 CO 0.71 0.63 0.00 0.61 -1.29 0.00 0.00 177.43 178.09 3khs n GLY 194 N -0.37 -2.24 0.25 1.57 0.00 -1.26 -3.67 105.19 99.47 3khs n GLY 194 Ca -0.03 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.60 3khs n GLY 194 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3khs n PRO 195 N -0.55 0.82 -2.65 1.61 -0.04 -1.26 -4.76 135.00 128.16 3khs n PRO 195 Ca 0.00 -0.50 -0.39 0.00 -0.04 0.00 0.00 63.50 62.57 3khs n PRO 195 Cb 0.00 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 3khs n PRO 195 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3khs s SER 196 N -2.53 7.42 0.79 3.54 1.04 -1.26 -5.02 113.70 117.68 3khs s SER 196 Ca 0.23 2.05 -0.11 0.00 0.48 0.00 0.00 55.95 58.59 3khs s SER 196 Cb 0.19 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.77 3khs s SER 196 CO 0.54 -0.02 1.09 -0.36 0.98 0.00 0.00 173.24 175.47 3khs s PHE 197 N -1.27 2.76 0.53 5.02 0.08 -1.26 -5.01 117.98 118.83 3khs s PHE 197 Ca 0.45 1.28 -0.17 0.00 0.12 0.00 0.00 56.93 58.61 3khs s PHE 197 Cb -0.27 -3.06 -0.07 0.00 -0.57 0.00 0.00 43.02 39.05 3khs s PHE 197 CO 0.34 -1.77 1.00 -1.83 -0.10 0.00 0.00 175.22 172.85 3khs s GLU 198 N -5.06 3.85 0.77 0.44 1.03 -1.26 -5.05 118.70 113.42 3khs s GLU 198 Ca 0.61 1.01 -0.11 0.00 0.03 0.00 0.00 54.97 56.51 3khs s GLU 198 Cb -0.15 -2.12 0.05 0.00 -0.80 0.00 0.00 34.13 31.11 3khs s GLU 198 CO 0.55 -0.36 1.09 0.95 -1.33 0.00 0.00 175.26 176.16 3khs s THR 199 N -2.57 3.26 0.31 1.83 -4.23 -1.26 -4.78 115.64 108.20 3khs s THR 199 Ca 0.60 0.41 -0.00 0.00 -1.18 0.00 0.00 61.69 61.52 3khs s THR 199 Cb -0.11 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.81 3khs s THR 199 CO 0.31 -0.54 1.96 -0.65 -0.54 0.00 0.00 174.62 175.17 3khs h PRO 200 N -0.98 1.01 -0.23 3.99 0.11 -1.93 0.36 132.00 134.33 3khs h PRO 200 Ca -0.46 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3khs h PRO 200 Cb 1.26 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3khs h PRO 200 CO 0.59 0.67 -0.09 0.00 -0.21 0.00 0.00 178.00 178.97 3khs h ALA 201 N 1.51 1.43 -0.12 -0.75 0.00 -1.92 -0.68 119.26 118.74 3khs h ALA 201 Ca 0.31 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3khs h ALA 201 Cb -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3khs h ALA 201 CO -0.08 0.40 -0.80 0.93 0.00 0.00 0.00 179.25 179.70 3khs h GLU 202 N 0.35 0.68 -0.84 0.00 5.08 -1.61 -2.87 114.58 115.37 3khs h GLU 202 Ca 0.07 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 3khs h GLU 202 Cb 0.37 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 3khs h GLU 202 CO 0.02 1.19 0.49 0.00 -1.00 0.00 0.00 179.01 179.71 3khs h LYS 204 N 1.16 1.07 -0.48 0.00 1.57 -1.07 -0.94 116.57 117.88 3khs h LYS 204 Ca 0.30 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3khs h LYS 204 Cb -0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 3khs h LYS 204 CO -0.05 0.74 0.29 0.82 -0.57 0.00 0.00 179.45 180.68 3khs h ILE 205 N 1.08 1.15 -0.71 1.86 2.04 -1.05 -0.11 117.51 121.76 3khs h ILE 205 Ca 0.29 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3khs h ILE 205 Cb -0.06 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 3khs h ILE 205 CO -0.06 0.15 0.47 -0.07 0.00 0.00 0.00 178.15 178.64 3khs h LEU 206 N 0.64 0.66 -0.24 1.44 4.07 -0.46 -0.17 115.31 121.25 3khs h LEU 206 Ca 0.17 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.92 3khs h LEU 206 Cb -0.01 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.59 3khs h LEU 206 CO -0.03 0.43 -0.80 0.03 -1.08 0.00 0.00 178.44 176.98 3khs h ARG 207 N 0.75 0.59 0.00 1.13 3.08 -0.60 -2.35 114.38 116.98 3khs h ARG 207 Ca 0.31 -0.51 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3khs h ARG 207 Cb 0.24 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3khs h ARG 207 CO -0.10 1.13 -0.02 1.25 -1.07 0.00 0.00 179.97 181.17 3khs h LEU 208 N 0.39 0.00 -0.05 3.04 5.85 0.22 0.12 115.31 124.89 3khs h LEU 208 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3khs h LEU 208 Cb 1.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.45 3khs h LEU 208 CO 0.15 0.02 -0.06 0.23 -0.34 0.00 0.00 178.44 178.44 3khs n MET 209 N -4.24 0.32 -1.03 1.25 2.81 -0.20 -4.92 117.12 111.12 3khs n MET 209 Ca -0.03 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 3khs n MET 209 Cb 0.10 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 3khs n MET 209 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3khs n GLY 210 N 1.36 1.11 3.75 3.03 0.00 0.03 -5.07 105.19 109.41 3khs n GLY 210 Ca 0.12 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 3khs n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khs s SER 211 N -2.53 7.11 -0.08 1.61 0.01 -0.91 -4.73 113.70 114.17 3khs s SER 211 Ca 0.00 1.32 0.19 0.00 1.31 0.00 0.00 55.95 58.77 3khs s SER 211 Cb 0.00 -2.42 -0.25 0.00 0.21 0.00 0.00 66.02 63.56 3khs s SER 211 CO 0.00 0.06 0.39 0.47 0.41 0.00 0.00 173.24 174.56 3khs n ASP 212 N 2.74 0.23 -3.72 2.44 8.00 -0.46 -4.47 116.55 121.32 3khs n ASP 212 Ca -0.04 0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.44 3khs n ASP 212 Cb 0.50 1.05 -0.07 0.00 -0.02 0.00 0.00 41.12 42.58 3khs n ASP 212 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3khs s ALA 213 N -2.89 -0.79 -0.04 2.24 0.00 -1.06 -0.17 121.76 119.06 3khs s ALA 213 Ca -0.08 0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.97 3khs s ALA 213 Cb 0.09 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.60 3khs s ALA 213 CO 0.85 -0.46 -0.10 0.54 0.00 0.00 0.00 175.76 176.59 3khs s VAL 214 N -2.75 0.89 0.33 0.00 0.11 -0.06 -0.60 120.40 118.31 3khs s VAL 214 Ca -0.04 -0.40 -0.03 0.00 -2.93 0.00 0.00 61.98 58.59 3khs s VAL 214 Cb -0.00 -0.80 -0.00 0.00 -1.53 0.00 0.00 36.38 34.05 3khs s VAL 214 CO -0.04 0.28 0.44 -0.83 -3.33 0.00 0.00 175.10 171.62 3khs s GLY 215 N 0.32 1.47 -0.37 6.54 0.00 -0.69 -1.45 107.32 113.13 3khs s GLY 215 Ca -0.06 -1.52 0.06 0.00 0.00 0.00 0.00 44.72 43.21 3khs s GLY 215 CO 0.01 -1.02 1.53 1.03 0.00 0.00 0.00 173.10 174.65 3khs n MET 216 N -0.54 2.45 0.00 2.90 2.81 -1.26 -1.85 117.12 121.63 3khs n MET 216 Ca 0.01 -3.44 0.00 0.00 -1.81 0.00 0.00 57.70 52.46 3khs n MET 216 Cb 0.62 -2.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 3khs n MET 216 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3khs n SER 217 N -0.99 0.00 0.00 7.83 3.41 -1.26 -4.59 113.62 118.02 3khs n SER 217 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3khs n SER 217 Cb 1.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 3khs n SER 217 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3khs n THR 218 N 0.00 0.00 -0.07 6.66 -1.04 -1.26 -4.54 114.28 114.04 3khs n THR 218 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 3khs n THR 218 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 3khs n THR 218 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3khs h ALA 219 N 0.00 0.27 -0.36 2.41 0.00 -1.96 -0.75 119.26 118.88 3khs h ALA 219 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3khs h ALA 219 Cb 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3khs h ALA 219 CO 0.00 -0.37 0.16 -1.00 0.00 0.00 0.00 179.25 178.05 3khs h PRO 220 N 0.14 0.50 -0.34 0.00 0.13 -1.99 -1.12 132.00 129.32 3khs h PRO 220 Ca 0.12 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.14 3khs h PRO 220 Cb 0.13 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 3khs h PRO 220 CO -0.17 0.40 -0.01 0.93 -0.23 0.00 0.00 178.00 178.91 3khs h GLU 221 N 0.50 0.61 0.00 0.86 5.08 -1.75 -2.67 114.58 117.22 3khs h GLU 221 Ca 0.13 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3khs h GLU 221 Cb 0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3khs h GLU 221 CO -0.02 0.74 -0.33 1.79 -1.00 0.00 0.00 179.01 180.20 3khs h THR 222 N 0.42 0.70 -0.19 1.13 1.35 -0.74 0.12 112.91 115.71 3khs h THR 222 Ca 0.10 -1.49 -0.01 0.00 -0.55 0.00 0.00 66.41 64.46 3khs h THR 222 Cb 0.47 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 3khs h THR 222 CO 0.02 0.32 0.07 0.40 -0.25 0.00 0.00 175.52 176.08 3khs h ILE 223 N 0.00 1.17 -0.37 6.82 2.04 -1.09 -0.46 117.51 125.62 3khs h ILE 223 Ca -0.00 -0.51 -0.10 0.00 1.00 0.00 0.00 64.86 65.25 3khs h ILE 223 Cb 0.95 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3khs h ILE 223 CO 0.04 0.16 -0.14 0.58 0.00 0.00 0.00 178.15 178.79 3khs h VAL 224 N 0.15 1.28 0.19 1.67 2.07 -1.25 -1.93 116.25 118.44 3khs h VAL 224 Ca 0.06 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 3khs h VAL 224 Cb 0.19 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3khs h VAL 224 CO -0.00 0.41 -0.09 0.00 0.02 0.00 0.00 177.57 177.91 3khs h ALA 225 N 0.81 -0.26 -0.90 1.67 0.00 -0.90 -0.77 119.26 118.90 3khs h ALA 225 Ca 0.09 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3khs h ALA 225 Cb 0.68 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 3khs h ALA 225 CO 0.05 -0.61 0.55 -0.22 0.00 0.00 0.00 179.25 179.01 3khs h LYS 226 N -0.33 0.90 -0.18 0.00 1.63 -1.09 0.11 116.57 117.60 3khs h LYS 226 Ca -0.03 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.67 3khs h LYS 226 Cb 0.26 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 3khs h LYS 226 CO 0.04 0.59 -0.12 1.25 -3.45 0.00 0.00 179.45 177.77 3khs h HIS 227 N 0.93 0.30 -0.16 1.91 2.76 -1.10 -1.79 115.15 118.00 3khs h HIS 227 Ca 0.42 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 3khs h HIS 227 Cb 0.33 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.21 3khs h HIS 227 CO -0.03 0.41 0.00 0.41 -1.30 0.00 0.00 177.93 177.42 3khs n GLY 228 N -0.84 0.90 2.19 5.26 0.00 0.27 -4.55 105.19 108.43 3khs n GLY 228 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 3khs n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khs n GLY 229 N 0.45 0.41 3.91 -0.02 0.00 -0.67 -4.98 105.19 104.29 3khs n GLY 229 Ca 0.06 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3khs n GLY 229 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3khs s MET 230 N -0.45 3.59 -0.04 1.61 -1.94 -0.58 -5.00 119.30 116.48 3khs s MET 230 Ca 0.00 -0.14 -0.15 0.00 -1.71 0.00 0.00 55.69 53.68 3khs s MET 230 Cb 0.00 -2.74 -0.05 0.00 2.01 0.00 0.00 34.83 34.04 3khs s MET 230 CO 0.00 0.32 0.41 1.03 -0.01 0.00 0.00 175.02 176.77 3khs s ARG 231 N -3.36 4.05 0.05 2.03 0.52 -0.30 -3.98 118.95 117.95 3khs s ARG 231 Ca 0.41 0.39 0.08 0.00 -0.52 0.00 0.00 55.73 56.09 3khs s ARG 231 Cb -0.11 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 3khs s ARG 231 CO 0.29 0.53 -0.22 0.00 0.02 0.00 0.00 175.30 175.91 3khs s LEU 233 N -1.38 1.22 -0.01 0.00 2.96 -0.60 -2.22 118.68 118.65 3khs s LEU 233 Ca 0.13 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3khs s LEU 233 Cb -0.10 -0.14 0.00 0.00 0.50 0.00 0.00 46.19 46.45 3khs s LEU 233 CO 0.04 -0.10 -0.06 0.00 -1.32 0.00 0.00 176.35 174.91 3khs s ALA 234 N 0.93 0.55 -0.08 5.97 0.00 -1.26 0.30 121.76 128.17 3khs s ALA 234 Ca -0.09 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.67 3khs s ALA 234 Cb -0.12 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3khs s ALA 234 CO -0.02 0.10 -0.08 0.08 0.00 0.00 0.00 175.76 175.84 3khs s VAL 235 N 0.09 0.92 -0.12 0.00 1.01 -0.03 -0.57 120.40 121.69 3khs s VAL 235 Ca -0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 3khs s VAL 235 Cb -0.05 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 3khs s VAL 235 CO -0.00 0.33 0.22 -0.44 0.00 0.00 0.00 175.10 175.21 3khs s SER 236 N 1.25 6.44 -0.28 3.32 0.01 0.47 -2.54 113.70 122.38 3khs s SER 236 Ca -0.04 0.53 -0.20 0.00 1.31 0.00 0.00 55.95 57.55 3khs s SER 236 Cb -0.14 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 3khs s SER 236 CO -0.03 0.29 0.60 -0.22 0.41 0.00 0.00 173.24 174.29 3khs s LEU 237 N -0.49 4.11 -0.94 2.44 1.98 0.80 0.11 118.68 126.69 3khs s LEU 237 Ca 0.16 0.50 -0.24 0.00 -2.89 0.00 0.00 54.13 51.65 3khs s LEU 237 Cb -0.13 -2.78 0.04 0.00 0.66 0.00 0.00 46.19 43.98 3khs s LEU 237 CO 0.05 -0.41 1.44 -0.63 -1.89 0.00 0.00 176.35 174.91 3khs s ILE 238 N 2.51 3.83 0.26 6.68 -1.09 0.41 -0.62 121.20 133.19 3khs s ILE 238 Ca 0.24 -0.43 0.15 0.00 -2.23 0.00 0.00 60.65 58.38 3khs s ILE 238 Cb -0.15 -4.95 0.08 0.00 -1.58 0.00 0.00 42.46 35.85 3khs s ILE 238 CO 0.10 -1.85 1.73 0.77 -1.23 0.00 0.00 174.94 174.46 3khs h SER 239 N 10.03 0.00 -5.14 3.58 4.64 -1.57 0.11 113.55 125.21 3khs h SER 239 Ca 0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 3khs h SER 239 Cb 1.02 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.00 3khs h SER 239 CO 1.38 0.45 -0.08 0.54 -0.87 0.00 0.00 176.83 178.24 3khs s ASN 240 N -6.68 -0.16 0.01 4.97 4.22 -1.24 -4.63 114.94 111.43 3khs s ASN 240 Ca -0.01 -0.59 0.03 0.00 -2.14 0.00 0.00 52.86 50.15 3khs s ASN 240 Cb 0.12 0.53 -0.01 0.00 1.28 0.00 0.00 41.25 43.17 3khs s ASN 240 CO 0.72 -0.99 -0.09 -0.69 -2.04 0.00 0.00 177.10 174.00 3khs s VAL 241 N -3.90 0.74 -0.10 3.54 1.01 -1.26 -0.34 120.40 120.09 3khs s VAL 241 Ca 0.11 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 3khs s VAL 241 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3khs s VAL 241 CO -0.03 0.06 0.47 -0.63 0.00 0.00 0.00 175.10 174.98 3khs s ILE 242 N -0.51 5.15 1.08 2.22 1.09 -0.13 -4.86 121.20 125.24 3khs s ILE 242 Ca 0.01 0.95 -0.13 0.00 -1.10 0.00 0.00 60.65 60.38 3khs s ILE 242 Cb -0.05 -3.81 0.24 0.00 -1.06 0.00 0.00 42.46 37.78 3khs s ILE 242 CO 0.00 0.36 1.06 0.00 -0.10 0.00 0.00 174.94 176.27 3khs s ALA 243 N 0.36 0.29 0.42 9.38 0.00 -0.99 -4.81 121.76 126.40 3khs s ALA 243 Ca 0.26 -0.32 0.13 0.00 0.00 0.00 0.00 51.96 52.02 3khs s ALA 243 Cb -0.15 -3.15 0.98 0.00 0.00 0.00 0.00 23.12 20.80 3khs s ALA 243 CO 0.11 -3.32 1.97 0.66 0.00 0.00 0.00 175.76 175.18 3khs h SER 244 N -2.25 0.42 0.00 0.00 4.64 -1.95 -0.15 113.55 114.27 3khs h SER 244 Ca -0.58 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3khs h SER 244 Cb 1.34 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3khs h SER 244 CO 0.55 0.25 0.00 -0.46 -0.87 0.00 0.00 176.83 176.30 3khs n ASN 245 N -4.48 0.00 -2.35 4.97 0.23 -1.26 -4.90 115.26 107.47 3khs n ASN 245 Ca 0.10 -0.95 -0.10 0.00 -0.53 0.00 0.00 54.58 53.11 3khs n ASN 245 Cb 0.36 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.11 3khs n ASN 245 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3khs s GLU 247 N -4.84 1.07 0.09 0.00 2.02 -1.26 -4.04 118.70 111.75 3khs s GLU 247 Ca 0.03 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.48 3khs s GLU 247 Cb -0.01 0.10 -0.00 0.00 0.10 0.00 0.00 34.13 34.32 3khs s GLU 247 CO 0.41 -0.27 0.00 -2.37 0.02 0.00 0.00 175.26 173.05 3khs n THR 248 N -0.20 0.00 0.00 3.63 5.66 -1.26 -2.35 114.28 119.76 3khs n THR 248 Ca -0.03 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 3khs n THR 248 Cb 0.64 0.09 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 3khs n THR 248 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3khs n ALA 260 N -2.70 0.00 -0.34 1.79 0.00 -1.26 -4.89 120.51 113.11 3khs n ALA 260 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.48 3khs n ALA 260 Cb 0.12 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.84 3khs n ALA 260 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3khs h GLY 261 N 0.00 1.54 1.20 0.00 0.00 -1.99 -1.60 103.07 102.22 3khs h GLY 261 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 3khs h GLY 261 CO 0.00 0.15 -0.06 0.83 0.00 0.00 0.00 176.54 177.46 3khs h GLU 262 N 0.93 0.95 -0.34 4.80 4.39 -1.99 -0.15 114.58 123.17 3khs h GLU 262 Ca 0.48 -0.31 -0.12 0.00 0.34 0.00 0.00 59.36 59.75 3khs h GLU 262 Cb 0.53 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3khs h GLU 262 CO -0.25 0.97 -0.27 0.93 -1.16 0.00 0.00 179.01 179.23 3khs h GLU 263 N 0.86 0.78 -0.15 2.33 5.08 -1.91 -1.66 114.58 119.90 3khs h GLU 263 Ca 0.15 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3khs h GLU 263 Cb 0.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3khs h GLU 263 CO 0.04 1.01 -0.06 0.00 -1.00 0.00 0.00 179.01 179.00 3khs h ALA 264 N 0.75 0.07 -0.32 3.43 0.00 -1.07 -1.14 119.26 120.98 3khs h ALA 264 Ca 0.06 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3khs h ALA 264 Cb 0.84 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3khs h ALA 264 CO 0.07 -0.50 -0.02 1.03 0.00 0.00 0.00 179.25 179.83 3khs h SER 265 N -0.04 -0.16 0.21 0.00 0.87 -0.88 -0.05 113.55 113.50 3khs h SER 265 Ca 0.08 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3khs h SER 265 Cb 0.16 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3khs h SER 265 CO -0.18 -0.05 -0.10 0.00 -0.53 0.00 0.00 176.83 175.98 3khs h ALA 266 N 1.29 -0.28 -0.50 6.23 0.00 -0.97 -0.60 119.26 124.42 3khs h ALA 266 Ca 0.15 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3khs h ALA 266 Cb 0.21 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3khs h ALA 266 CO -0.27 -0.63 0.29 0.00 0.00 0.00 0.00 179.25 178.63 3khs h ARG 267 N -0.33 0.55 -0.56 0.00 3.08 -0.98 -1.12 114.38 115.02 3khs h ARG 267 Ca -0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3khs h ARG 267 Cb 0.25 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3khs h ARG 267 CO 0.05 0.37 0.28 1.98 -1.07 0.00 0.00 179.97 181.57 3khs h MET 268 N 0.57 0.80 -0.77 0.04 4.05 -0.95 -0.98 114.93 117.69 3khs h MET 268 Ca 0.21 -0.11 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 3khs h MET 268 Cb 0.05 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 3khs h MET 268 CO -0.11 0.65 0.50 1.15 0.23 0.00 0.00 176.91 179.33 3khs h THR 269 N 0.76 1.20 -0.29 -0.77 2.02 -0.67 -0.38 112.91 114.78 3khs h THR 269 Ca 0.19 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 3khs h THR 269 Cb 0.10 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 3khs h THR 269 CO -0.03 0.20 0.04 0.00 0.37 0.00 0.00 175.52 176.10 3khs h ALA 270 N 1.28 0.38 -0.36 6.16 0.00 -0.90 -2.04 119.26 123.79 3khs h ALA 270 Ca 0.28 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3khs h ALA 270 Cb -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3khs h ALA 270 CO -0.06 0.08 0.14 1.25 0.00 0.00 0.00 179.25 180.65 3khs h LEU 271 N 0.29 0.16 -0.76 0.00 5.85 -0.79 -0.52 115.31 119.54 3khs h LEU 271 Ca 0.09 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3khs h LEU 271 Cb 0.35 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3khs h LEU 271 CO 0.01 0.13 0.31 0.58 -0.34 0.00 0.00 178.44 179.12 3khs h VAL 272 N 0.29 1.25 -0.01 1.05 2.07 -1.01 -1.30 116.25 118.59 3khs h VAL 272 Ca 0.16 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3khs h VAL 272 Cb 0.12 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3khs h VAL 272 CO -0.15 0.32 0.01 0.50 0.02 0.00 0.00 177.57 178.26 3khs h LYS 273 N 1.09 0.02 -0.59 1.57 3.64 -0.96 0.07 116.57 121.41 3khs h LYS 273 Ca 0.25 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3khs h LYS 273 Cb 0.20 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3khs h LYS 273 CO -0.02 0.11 0.31 1.25 -2.27 0.00 0.00 179.45 178.82 3khs h LEU 274 N -0.07 0.73 -0.54 5.20 6.46 -0.97 -0.90 115.31 125.21 3khs h LEU 274 Ca 0.01 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.63 3khs h LEU 274 Cb 0.10 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 3khs h LEU 274 CO -0.00 0.60 0.05 0.58 -0.62 0.00 0.00 178.44 179.05 3khs h VAL 275 N 0.82 1.26 -0.53 1.05 2.07 -0.90 -2.08 116.25 117.95 3khs h VAL 275 Ca 0.21 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3khs h VAL 275 Cb 0.05 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3khs h VAL 275 CO -0.03 0.37 0.19 0.40 0.02 0.00 0.00 177.57 178.51 3khs h ILE 276 N 0.81 1.20 0.07 4.57 2.04 -0.24 -1.91 117.51 124.05 3khs h ILE 276 Ca 0.16 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3khs h ILE 276 Cb 0.46 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3khs h ILE 276 CO 0.02 0.26 -0.03 -0.08 0.00 0.00 0.00 178.15 178.31 3khs h GLU 277 N 0.76 -0.09 0.00 2.37 4.81 -0.74 -1.97 114.58 119.72 3khs h GLU 277 Ca 0.18 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3khs h GLU 277 Cb 0.19 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3khs h GLU 277 CO -0.01 0.06 0.00 0.87 -0.73 0.00 0.00 179.01 179.20 3khs h LYS 278 N -0.22 0.00 0.00 1.92 1.57 -1.08 -2.57 116.57 116.20 3khs h LYS 278 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3khs h LYS 278 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3khs h LYS 278 CO 0.01 0.00 -0.69 0.82 -0.57 0.00 0.00 179.45 179.02 3khs h ILE 279 N 0.00 0.00 0.00 1.86 2.04 -0.62 -3.27 117.51 117.52 3khs h ILE 279 Ca 0.00 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.91 3khs h ILE 279 Cb 0.21 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3khs h ILE 279 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.04 3khs n ARG 280 N -2.74 0.34 -0.06 2.37 1.85 -0.93 -0.42 116.66 117.08 3khs n ARG 280 Ca 0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.75 3khs n ARG 280 Cb 0.53 -1.29 -0.15 0.00 -1.05 0.00 0.00 32.46 30.50 3khs n ARG 280 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3khs n GLY 281 N -0.25 -0.91 2.13 2.89 0.00 -1.23 -4.38 105.19 103.44 3khs n GLY 281 Ca 0.05 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 3khs n GLY 281 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3khs n GLU 282 N -2.99 2.40 -3.59 1.61 1.02 0.44 -5.00 120.64 114.53 3khs n GLU 282 Ca -0.26 -3.03 -0.04 0.00 -0.02 0.00 0.00 57.16 53.80 3khs n GLU 282 Cb 1.09 -2.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 3khs n GLU 282 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 3khs s LEU 283 N -3.26 -0.17 -0.36 -4.62 0.05 -1.23 -5.10 118.68 103.99 3khs s LEU 283 Ca 0.56 -0.04 -0.45 0.00 0.05 0.00 0.00 54.13 54.26 3khs s LEU 283 Cb 0.47 1.53 -0.20 0.00 -2.05 0.00 0.00 46.19 45.94 3khs s LEU 283 CO 0.11 -0.34 1.50 -2.65 -0.55 0.00 0.00 176.35 174.41 3khs n PRO 284 N -0.19 0.14 -0.77 1.48 -0.02 -1.26 -4.86 135.00 129.52 3khs n PRO 284 Ca -0.03 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3khs n PRO 284 Cb 0.60 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3khs n PRO 284 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02