#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 3.09 0.28 1.12 -4.23 -1.26 -4.82 115.64 109.81 3khs s THR 2 Ca 0.00 0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3khs s THR 2 Cb 0.00 -3.35 0.28 0.00 1.34 0.00 0.00 72.50 70.77 3khs s THR 2 CO 0.00 -0.46 1.87 0.44 -0.54 0.00 0.00 174.62 175.93 3khs h ASP 3 N -0.76 0.99 -1.00 3.99 3.32 -1.98 0.95 116.42 121.92 3khs h ASP 3 Ca -0.45 0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.63 3khs h ASP 3 Cb 1.27 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 3khs h ASP 3 CO 0.64 0.60 0.66 0.22 -1.72 0.00 0.00 179.24 179.64 3khs h TYR 4 N 1.10 1.25 -0.32 4.55 3.20 -1.98 0.36 116.97 125.14 3khs h TYR 4 Ca 0.45 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.34 3khs h TYR 4 Cb 0.28 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3khs h TYR 4 CO -0.00 0.79 0.18 0.22 -1.64 0.00 0.00 178.16 177.70 3khs h ASP 5 N 1.35 0.40 0.23 -2.11 3.58 -1.26 -1.10 116.42 117.51 3khs h ASP 5 Ca 0.37 -0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.63 3khs h ASP 5 Cb -0.15 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 3khs h ASP 5 CO -0.08 0.37 -0.38 -0.07 -2.88 0.00 0.00 179.24 176.20 3khs h LEU 6 N 0.40 0.22 -0.36 2.28 3.38 -0.25 -2.40 115.31 118.56 3khs h LEU 6 Ca 0.11 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3khs h LEU 6 Cb 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3khs h LEU 6 CO -0.02 0.58 0.05 0.00 0.09 0.00 0.00 178.44 179.14 3khs h ALA 7 N 1.43 0.48 -0.82 1.53 0.00 0.07 -0.17 119.26 121.78 3khs h ALA 7 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3khs h ALA 7 Cb 0.76 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3khs h ALA 7 CO 0.06 0.20 0.52 0.87 0.00 0.00 0.00 179.25 180.90 3khs h LYS 8 N 0.44 1.09 0.20 0.00 1.57 -1.02 0.13 116.57 118.99 3khs h LYS 8 Ca 0.11 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3khs h LYS 8 Cb 0.38 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3khs h LYS 8 CO 0.01 0.75 -0.10 1.49 -0.57 0.00 0.00 179.45 181.03 3khs h GLU 9 N 1.12 -0.26 -0.66 3.15 4.81 -1.19 0.24 114.58 121.79 3khs h GLU 9 Ca 0.30 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.64 3khs h GLU 9 Cb -0.09 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 3khs h GLU 9 CO -0.06 -0.11 0.28 1.15 -0.73 0.00 0.00 179.01 179.54 3khs h THR 10 N -0.35 0.79 0.17 0.32 2.02 -0.69 -0.57 112.91 114.59 3khs h THR 10 Ca -0.03 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3khs h THR 10 Cb 0.27 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3khs h THR 10 CO 0.05 0.09 -0.08 0.00 0.37 0.00 0.00 175.52 175.94 3khs h ALA 11 N 1.43 -0.23 -0.92 6.16 0.00 -0.34 -1.73 119.26 123.63 3khs h ALA 11 Ca 0.33 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.32 3khs h ALA 11 Cb 0.40 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 3khs h ALA 11 CO -0.30 -0.60 0.59 0.00 0.00 0.00 0.00 179.25 178.94 3khs h ALA 12 N 0.55 1.81 -0.30 0.00 0.00 0.17 0.41 119.26 121.90 3khs h ALA 12 Ca -0.02 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3khs h ALA 12 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3khs h ALA 12 CO 0.04 -0.07 -0.34 2.35 0.00 0.00 0.00 179.25 181.23 3khs h TRP 13 N 0.71 0.78 -0.15 0.00 7.01 -0.72 -2.84 115.95 120.74 3khs h TRP 13 Ca 0.47 -0.21 -0.21 0.00 2.11 0.00 0.00 58.89 61.05 3khs h TRP 13 Cb 0.75 -0.17 0.01 0.00 -2.10 0.00 0.00 29.16 27.65 3khs h TRP 13 CO -0.00 0.92 -0.72 -0.07 -2.79 0.00 0.00 178.44 175.78 3khs h LEU 14 N 0.56 0.88 -1.53 0.65 3.38 -0.15 -3.19 115.31 115.92 3khs h LEU 14 Ca 0.06 -0.63 0.16 0.00 0.09 0.00 0.00 57.88 57.56 3khs h LEU 14 Cb 0.85 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 3khs h LEU 14 CO 0.07 1.37 0.53 0.78 0.09 0.00 0.00 178.44 181.28 3khs h ASN 15 N 0.46 0.43 -0.78 -0.43 2.35 -0.16 -0.80 115.58 116.65 3khs h ASN 15 Ca -0.05 0.03 0.21 0.00 -0.55 0.00 0.00 56.30 55.94 3khs h ASN 15 Cb 1.35 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.63 3khs h ASN 15 CO 0.15 0.21 0.55 0.11 -1.65 0.00 0.00 177.43 176.80 3khs h LYS 16 N 0.45 0.10 -0.64 0.81 1.57 -1.49 -0.19 116.57 117.19 3khs h LYS 16 Ca 0.40 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3khs h LYS 16 Cb 0.88 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3khs h LYS 16 CO -0.14 0.06 0.00 1.04 -0.57 0.00 0.00 179.45 179.84 3khs n GLN 17 N -4.36 4.03 -5.27 3.15 6.02 -0.30 -4.95 117.38 115.70 3khs n GLN 17 Ca 0.16 -2.97 -0.31 0.00 -0.01 0.00 0.00 57.00 53.87 3khs n GLN 17 Cb 0.78 -1.99 -0.16 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.07 2.05 -0.10 1.08 1.43 -0.08 -5.02 118.68 115.97 3khs s LEU 18 Ca 0.53 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 3khs s LEU 18 Cb 0.35 -1.31 -0.27 0.00 0.03 0.00 0.00 46.19 45.00 3khs s LEU 18 CO 0.23 0.31 0.43 1.56 0.23 0.00 0.00 176.35 179.11 3khs h GLN 19 N 5.49 0.29 -4.85 1.70 4.20 -1.93 -3.46 115.11 116.55 3khs h GLN 19 Ca -0.43 -0.49 -0.60 0.00 0.06 0.00 0.00 58.65 57.19 3khs h GLN 19 Cb 1.12 0.18 -0.34 0.00 0.30 0.00 0.00 27.48 28.75 3khs h GLN 19 CO 0.47 1.23 -0.84 0.42 -0.67 0.00 0.00 178.83 179.43 3khs s ILE 20 N -2.56 1.58 0.26 2.54 1.01 -1.26 -5.11 121.20 117.66 3khs s ILE 20 Ca -0.21 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.44 3khs s ILE 20 Cb 0.06 -1.42 -0.10 0.00 0.01 0.00 0.00 42.46 41.02 3khs s ILE 20 CO 0.79 0.46 1.28 -0.13 0.00 0.00 0.00 174.94 177.33 3khs s ARG 21 N 0.81 4.41 0.41 2.79 0.52 -1.26 -4.96 118.95 121.67 3khs s ARG 21 Ca -0.10 2.09 -0.26 0.00 -0.52 0.00 0.00 55.73 56.94 3khs s ARG 21 Cb -0.16 -3.14 -0.09 0.00 0.52 0.00 0.00 34.95 32.09 3khs s ARG 21 CO 0.01 -0.16 1.31 -2.14 0.02 0.00 0.00 175.30 174.34 3khs s PRO 22 N -0.98 3.93 -0.03 3.54 0.02 -1.26 -4.87 135.00 135.35 3khs s PRO 22 Ca 0.52 2.17 0.08 0.00 0.02 0.00 0.00 61.00 63.79 3khs s PRO 22 Cb -0.37 -2.73 -0.12 0.00 0.02 0.00 0.00 34.50 31.29 3khs s PRO 22 CO 0.44 -0.53 0.15 1.55 -0.33 0.00 0.00 177.00 178.28 3khs n VAL 23 N 0.07 0.12 -4.94 3.83 3.14 -0.23 -3.59 118.33 116.74 3khs n VAL 23 Ca 0.04 -0.23 -0.27 0.00 -2.96 0.00 0.00 64.34 60.93 3khs n VAL 23 Cb 0.44 0.06 -0.16 0.00 -1.06 0.00 0.00 33.84 33.12 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 -3.81 1.98 0.16 6.55 0.20 -1.07 0.22 118.68 122.90 3khs s LEU 24 Ca -0.03 -0.38 0.08 0.00 0.69 0.00 0.00 54.13 54.49 3khs s LEU 24 Cb 0.05 -1.04 -0.04 0.00 -0.43 0.00 0.00 46.19 44.72 3khs s LEU 24 CO 0.35 0.20 -0.09 -0.83 -0.29 0.00 0.00 176.35 175.68 3khs s GLY 25 N -0.16 1.74 -0.01 7.98 0.00 0.12 -1.57 107.32 115.42 3khs s GLY 25 Ca 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.34 3khs s GLY 25 CO 0.01 -1.40 -0.05 -0.42 0.00 0.00 0.00 173.10 171.25 3khs s ILE 26 N -1.54 0.42 -0.19 0.90 1.01 -0.06 -0.44 121.20 121.30 3khs s ILE 26 Ca 0.24 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.72 3khs s ILE 26 Cb -0.10 -0.39 0.03 0.00 0.01 0.00 0.00 42.46 42.02 3khs s ILE 26 CO 0.15 0.14 -0.15 -0.69 0.00 0.00 0.00 174.94 174.39 3khs s VAL 27 N 0.16 1.88 -0.23 2.92 1.01 -0.44 0.76 120.40 126.47 3khs s VAL 27 Ca -0.02 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 3khs s VAL 27 Cb -0.05 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3khs s VAL 27 CO -0.00 0.34 0.62 0.00 0.00 0.00 0.00 175.10 176.06 3khs n GLY 29 N 3.99 -1.04 3.66 0.00 0.00 -1.09 -3.39 105.19 107.33 3khs n GLY 29 Ca -0.01 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 3khs n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3khs n SER 30 N -1.46 4.11 0.00 1.61 7.64 -1.26 -2.06 113.62 122.21 3khs n SER 30 Ca 0.00 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.79 3khs n SER 30 Cb 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 3khs n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khs n GLY 31 N 4.53 0.34 1.39 0.23 0.00 -1.26 -4.59 105.19 105.83 3khs n GLY 31 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 4.83 -0.08 0.99 4.77 -0.87 -4.67 117.00 121.96 3khs n LEU 32 Ca 0.00 -3.18 -0.08 0.00 -0.03 0.00 0.00 56.01 52.72 3khs n LEU 32 Cb 0.17 -0.64 -0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3khs n LEU 32 CO 0.00 0.79 0.93 1.23 -1.33 0.00 0.00 177.39 179.02 3khs h GLY 33 N 2.23 0.37 -1.56 -0.72 0.00 -1.89 -2.94 103.07 98.55 3khs h GLY 33 Ca 0.11 -0.07 0.46 0.00 0.00 0.00 0.00 47.33 47.84 3khs h GLY 33 CO 0.44 0.04 1.10 0.28 0.00 0.00 0.00 176.54 178.40 3khs n LYS 34 N -5.02 -0.01 -0.19 4.80 4.76 -1.26 0.30 118.16 121.55 3khs n LYS 34 Ca -0.01 0.93 0.22 0.00 -2.87 0.00 0.00 58.31 56.58 3khs n LYS 34 Cb 0.10 -2.08 0.59 0.00 -1.84 0.00 0.00 35.03 31.80 3khs n LYS 34 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3khs h ILE 35 N 0.00 0.66 -0.21 -0.18 2.04 -1.83 -1.08 117.51 116.91 3khs h ILE 35 Ca 0.77 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 66.51 3khs h ILE 35 Cb 3.01 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 3khs h ILE 35 CO -0.08 0.04 -0.07 1.23 0.00 0.00 0.00 178.15 179.27 3khs h GLY 36 N 0.24 0.35 2.00 5.37 0.00 -0.41 -2.23 103.07 108.39 3khs h GLY 36 Ca 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3khs h GLY 36 CO -0.10 0.19 0.00 1.22 0.00 0.00 0.00 176.54 177.85 3khs n ASP 37 N -4.29 0.38 0.06 0.19 8.00 -0.41 -1.45 116.55 119.02 3khs n ASP 37 Ca 0.00 0.66 0.11 0.00 0.71 0.00 0.00 54.79 56.27 3khs n ASP 37 Cb 0.25 -0.71 0.43 0.00 -0.02 0.00 0.00 41.12 41.07 3khs n ASP 37 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3khs n SER 38 N -1.99 0.34 -4.71 -2.24 7.64 -0.84 -4.74 113.62 107.08 3khs n SER 38 Ca -0.00 0.57 -0.41 0.00 1.01 0.00 0.00 58.87 60.03 3khs n SER 38 Cb 0.05 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 62.57 3khs n SER 38 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3khs s LEU 39 N -3.72 4.36 0.12 -3.43 1.02 -0.53 -4.67 118.68 111.83 3khs s LEU 39 Ca 0.08 1.50 -0.06 0.00 0.02 0.00 0.00 54.13 55.67 3khs s LEU 39 Cb 0.11 -3.40 -0.05 0.00 0.02 0.00 0.00 46.19 42.87 3khs s LEU 39 CO 0.40 -0.20 0.36 -1.61 0.02 0.00 0.00 176.35 175.33 3khs s GLU 40 N 0.88 3.63 -1.31 1.70 2.02 0.90 -4.35 118.70 122.17 3khs s GLU 40 Ca 0.47 -0.06 -0.00 0.00 0.02 0.00 0.00 54.97 55.40 3khs s GLU 40 Cb -0.20 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.13 3khs s GLU 40 CO 0.25 0.50 0.70 2.41 0.02 0.00 0.00 175.26 179.14 3khs n THR 41 N 0.32 -4.38 -3.18 3.63 -1.04 -1.26 -1.72 114.28 106.65 3khs n THR 41 Ca -0.04 -0.49 -0.39 0.00 -2.04 0.00 0.00 64.05 61.09 3khs n THR 41 Cb 0.52 -3.74 -0.06 0.00 -1.82 0.00 0.00 70.33 65.23 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 -4.34 7.17 -0.11 8.00 1.04 -1.26 -4.62 113.70 119.59 3khs s SER 42 Ca 0.02 1.39 -0.02 0.00 0.48 0.00 0.00 55.95 57.81 3khs s SER 42 Cb -0.01 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 3khs s SER 42 CO 0.81 0.25 -0.01 -0.63 0.98 0.00 0.00 173.24 174.64 3khs s ILE 43 N -1.11 4.17 -0.09 -1.02 -1.09 0.02 -4.95 121.20 117.13 3khs s ILE 43 Ca 0.31 -0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.49 3khs s ILE 43 Cb -0.21 -2.78 -0.00 0.00 -1.58 0.00 0.00 42.46 37.90 3khs s ILE 43 CO 0.21 0.56 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.36 3khs s THR 44 N -0.43 2.01 -0.19 2.92 2.01 -1.26 -0.92 115.64 119.77 3khs s THR 44 Ca 0.08 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3khs s THR 44 Cb -0.12 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.69 3khs s THR 44 CO 0.02 0.55 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 3khs s VAL 45 N 0.31 1.49 0.48 3.82 1.01 -0.13 -4.99 120.40 122.40 3khs s VAL 45 Ca -0.17 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.64 3khs s VAL 45 Cb -0.18 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 3khs s VAL 45 CO 0.08 0.14 1.36 0.00 0.00 0.00 0.00 175.10 176.68 3khs s ALA 46 N 1.46 3.06 0.37 5.51 0.00 -1.26 -0.87 121.76 130.02 3khs s ALA 46 Ca -0.01 1.33 0.05 0.00 0.00 0.00 0.00 51.96 53.33 3khs s ALA 46 Cb -0.16 -3.55 0.73 0.00 0.00 0.00 0.00 23.12 20.14 3khs s ALA 46 CO -0.08 -1.16 2.00 1.88 0.00 0.00 0.00 175.76 178.40 3khs h TYR 47 N 2.02 0.72 -0.09 0.00 0.05 -1.31 -2.12 116.97 116.24 3khs h TYR 47 Ca -0.51 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.32 3khs h TYR 47 Cb 1.27 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.77 3khs h TYR 47 CO 0.49 0.42 0.11 0.66 -1.05 0.00 0.00 178.16 178.79 3khs h SER 48 N 0.75 0.00 0.18 3.88 4.64 -1.90 -1.17 113.55 119.93 3khs h SER 48 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3khs h SER 48 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3khs h SER 48 CO -0.07 0.00 -0.68 0.47 -0.87 0.00 0.00 176.83 175.68 3khs n ASP 49 N -3.79 0.99 -4.70 4.97 8.00 -0.80 -4.89 116.55 116.33 3khs n ASP 49 Ca -0.01 -0.82 -0.41 0.00 0.71 0.00 0.00 54.79 54.26 3khs n ASP 49 Cb 0.21 0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.87 4.90 0.23 0.53 1.01 -0.44 -5.00 121.20 119.56 3khs s ILE 50 Ca 0.12 1.79 -0.31 0.00 0.00 0.00 0.00 60.65 62.26 3khs s ILE 50 Cb 0.17 -4.20 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 3khs s ILE 50 CO 0.73 0.12 1.53 -2.84 0.00 0.00 0.00 174.94 174.48 3khs s PRO 51 N 1.44 4.21 0.00 2.79 0.02 -1.26 -2.89 135.00 139.30 3khs s PRO 51 Ca 0.44 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.87 3khs s PRO 51 Cb -0.18 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3khs s PRO 51 CO 0.20 -0.55 0.00 0.09 -0.33 0.00 0.00 177.00 176.41 3khs n ASN 52 N 2.90 0.00 -4.73 2.53 3.02 -1.26 -4.70 115.26 113.02 3khs n ASN 52 Ca 0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 3khs n ASN 52 Cb 0.39 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 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 -2.26 3.14 0.02 3.10 0.40 -1.14 -4.89 117.98 116.34 3khs s PHE 53 Ca 0.00 0.97 -0.39 0.00 -0.60 0.00 0.00 56.93 56.91 3khs s PHE 53 Cb 0.00 -3.76 -0.18 0.00 0.51 0.00 0.00 43.02 39.59 3khs s PHE 53 CO 0.00 -2.58 1.23 -2.30 0.70 0.00 0.00 175.22 172.27 3khs n PRO 54 N 3.14 0.56 0.00 0.24 -0.02 -1.26 -5.01 135.00 132.65 3khs n PRO 54 Ca 0.09 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3khs n PRO 54 Cb 0.41 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 2.12 0.00 0.00 -1.45 0.31 -1.26 -4.99 118.33 113.05 3khs n VAL 55 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 3khs n VAL 55 Cb 0.13 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 63 N 0.00 1.24 3.15 2.92 0.00 -1.26 -5.06 105.19 106.17 3khs n GLY 63 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 3khs n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3khs s SER 64 N 0.00 0.08 -0.19 1.61 1.04 -1.14 -0.79 113.70 114.30 3khs s SER 64 Ca 0.00 -0.40 -0.06 0.00 0.48 0.00 0.00 55.95 55.97 3khs s SER 64 Cb 0.00 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 3khs s SER 64 CO 0.00 -0.51 0.01 -0.22 0.98 0.00 0.00 173.24 173.50 3khs s LEU 65 N -2.00 3.39 -0.13 2.42 2.96 -0.05 -0.69 118.68 124.58 3khs s LEU 65 Ca -0.06 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 3khs s LEU 65 Cb -0.02 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3khs s LEU 65 CO -0.03 0.09 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.31 3khs s ILE 66 N 0.83 2.90 -0.14 6.68 1.01 0.50 -0.95 121.20 132.03 3khs s ILE 66 Ca 0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 3khs s ILE 66 Cb -0.14 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3khs s ILE 66 CO 0.02 0.53 -0.10 -0.36 0.00 0.00 0.00 174.94 175.03 3khs s PHE 67 N 0.38 2.89 -0.47 3.97 0.40 -0.10 0.54 117.98 125.59 3khs s PHE 67 Ca -0.12 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 3khs s PHE 67 Cb -0.16 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.48 3khs s PHE 67 CO 0.06 -0.15 0.00 0.41 0.70 0.00 0.00 175.22 176.24 3khs n GLY 68 N 3.53 -1.26 3.75 4.36 0.00 -0.54 -0.80 105.19 114.23 3khs n GLY 68 Ca -0.18 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 3khs n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3khs s SER 69 N -0.56 5.25 -0.11 1.61 0.15 -0.70 0.73 113.70 120.06 3khs s SER 69 Ca 0.00 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.36 3khs s SER 69 Cb 0.00 -1.28 0.05 0.00 -1.71 0.00 0.00 66.02 63.08 3khs s SER 69 CO 0.00 0.07 0.26 -0.69 1.20 0.00 0.00 173.24 174.07 3khs s VAL 70 N -1.78 -0.10 -1.41 4.45 1.01 -0.36 -0.07 120.40 122.15 3khs s VAL 70 Ca 0.30 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 3khs s VAL 70 Cb -0.10 -0.40 0.12 0.00 0.00 0.00 0.00 36.38 36.00 3khs s VAL 70 CO 0.22 0.07 0.58 0.59 0.00 0.00 0.00 175.10 176.56 3khs n ASN 71 N 4.42 -3.25 0.00 3.32 4.13 -1.26 -0.16 115.26 122.47 3khs n ASN 71 Ca -0.22 -0.63 0.00 0.00 1.68 0.00 0.00 54.58 55.40 3khs n ASN 71 Cb 0.53 -2.69 0.00 0.00 -1.54 0.00 0.00 39.78 36.07 3khs n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3khs n GLY 72 N -1.20 0.60 3.47 7.41 0.00 -1.26 -4.88 105.19 109.33 3khs n GLY 72 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.43 3.65 -0.11 1.61 1.01 0.78 -5.08 120.40 119.83 3khs s VAL 73 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3khs s VAL 73 Cb 0.00 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3khs s VAL 73 CO 0.00 0.51 1.08 -0.94 0.00 0.00 0.00 175.10 175.74 3khs s SER 74 N 0.31 7.16 0.21 3.32 1.04 -1.26 -1.22 113.70 123.26 3khs s SER 74 Ca -0.06 1.61 0.06 0.00 0.48 0.00 0.00 55.95 58.04 3khs s SER 74 Cb -0.15 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.37 3khs s SER 74 CO 0.04 -0.52 -0.10 0.00 0.98 0.00 0.00 173.24 173.64 3khs s VAL 76 N -3.12 1.63 -0.10 0.00 0.11 -0.61 -1.47 120.40 116.84 3khs s VAL 76 Ca 0.24 -0.77 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 3khs s VAL 76 Cb 0.02 -1.44 0.01 0.00 -1.53 0.00 0.00 36.38 33.44 3khs s VAL 76 CO 0.07 0.46 -0.18 0.00 -3.33 0.00 0.00 175.10 172.12 3khs s MET 78 N 0.71 3.87 -1.03 0.00 -1.94 0.23 -0.37 119.30 120.77 3khs s MET 78 Ca -0.12 0.30 -0.11 0.00 -1.71 0.00 0.00 55.69 54.05 3khs s MET 78 Cb -0.16 -3.74 0.25 0.00 2.01 0.00 0.00 34.83 33.19 3khs s MET 78 CO 0.03 -0.62 1.04 0.15 -0.01 0.00 0.00 175.02 175.61 3khs s LYS 79 N 2.68 4.01 0.00 2.03 1.02 0.14 -0.62 119.74 129.00 3khs s LYS 79 Ca 0.26 -2.91 0.00 0.00 0.02 0.00 0.00 55.97 53.34 3khs s LYS 79 Cb -0.15 -4.57 0.00 0.00 -0.52 0.00 0.00 37.83 32.59 3khs s LYS 79 CO 0.12 -1.32 0.00 0.41 -0.92 0.00 0.00 175.35 173.65 3khs n GLY 80 N 3.27 3.21 2.20 -3.33 0.00 -1.22 -2.89 105.19 106.43 3khs n GLY 80 Ca 0.22 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.20 0.59 -4.92 1.61 1.85 -1.26 -4.76 116.66 109.56 3khs n ARG 81 Ca 0.00 -2.27 -0.31 0.00 -1.00 0.00 0.00 57.85 54.27 3khs n ARG 81 Cb 0.00 1.39 -0.14 0.00 -1.05 0.00 0.00 32.46 32.66 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 -2.65 2.50 0.10 2.89 0.08 -1.26 -5.14 117.98 114.50 3khs s PHE 82 Ca 0.17 -0.30 0.08 0.00 0.12 0.00 0.00 56.93 57.00 3khs s PHE 82 Cb 0.01 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.92 3khs s PHE 82 CO 0.12 0.14 -0.21 -1.01 -0.10 0.00 0.00 175.22 174.16 3khs s HIS 83 N -0.78 1.78 0.44 0.36 3.76 -1.26 -4.87 115.29 114.72 3khs s HIS 83 Ca 0.12 -0.42 0.13 0.00 -0.15 0.00 0.00 55.06 54.75 3khs s HIS 83 Cb -0.10 -0.98 1.02 0.00 1.11 0.00 0.00 32.58 33.63 3khs s HIS 83 CO 0.02 0.20 2.00 -0.07 -0.85 0.00 0.00 174.74 176.03 3khs h LEU 84 N 4.10 0.36 -0.74 0.89 4.07 -1.80 -1.39 115.31 120.80 3khs h LEU 84 Ca -0.46 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.51 3khs h LEU 84 Cb 1.18 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.85 3khs h LEU 84 CO 0.40 0.23 0.00 0.00 -1.08 0.00 0.00 178.44 177.98 3khs n TYR 85 N -4.47 0.66 0.72 1.13 4.11 -1.24 -1.64 117.16 116.43 3khs n TYR 85 Ca 0.09 0.28 0.13 0.00 -0.00 0.00 0.00 57.90 58.40 3khs n TYR 85 Cb 0.33 -0.95 0.44 0.00 -0.00 0.00 0.00 39.34 39.16 3khs n TYR 85 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3khs n GLU 86 N -2.12 0.19 0.00 -3.48 1.02 -0.52 -4.76 120.64 110.97 3khs n GLU 86 Ca 0.01 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3khs n GLU 86 Cb 0.17 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 3khs n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3khs n GLY 87 N 1.36 1.36 3.80 0.62 0.00 -0.65 -5.09 105.19 106.59 3khs n GLY 87 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 2.96 0.61 1.61 3.76 -1.25 -5.03 115.29 115.94 3khs s HIS 88 Ca 0.00 1.54 -0.10 0.00 -0.15 0.00 0.00 55.06 56.35 3khs s HIS 88 Cb 0.00 -3.06 -0.04 0.00 1.11 0.00 0.00 32.58 30.59 3khs s HIS 88 CO 0.00 -1.05 1.00 0.95 -0.85 0.00 0.00 174.74 174.79 3khs s THR 89 N -2.20 4.67 0.24 1.30 -4.23 -1.26 -4.46 115.64 109.70 3khs s THR 89 Ca 0.66 0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 61.89 3khs s THR 89 Cb -0.17 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 70.04 3khs s THR 89 CO 0.29 -1.08 1.80 0.00 -0.54 0.00 0.00 174.62 175.10 3khs h ALA 90 N -0.26 1.16 -0.44 3.99 0.00 -1.86 -0.05 119.26 121.80 3khs h ALA 90 Ca -0.44 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3khs h ALA 90 Cb 1.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3khs h ALA 90 CO 0.62 0.07 0.14 0.00 0.00 0.00 0.00 179.25 180.08 3khs h ALA 91 N 1.46 0.58 -0.16 0.00 0.00 -1.81 -2.35 119.26 116.98 3khs h ALA 91 Ca 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3khs h ALA 91 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3khs h ALA 91 CO -0.25 0.23 0.05 -0.09 0.00 0.00 0.00 179.25 179.18 3khs h ARG 92 N 0.57 0.25 0.00 0.00 9.65 -1.65 -2.42 114.38 120.78 3khs h ARG 92 Ca 0.14 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3khs h ARG 92 Cb 0.26 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3khs h ARG 92 CO -0.00 0.37 0.00 0.00 2.80 0.00 0.00 179.97 183.14 3khs n ALA 93 N -2.25 1.58 -0.44 2.80 0.00 -0.13 -1.60 120.51 120.46 3khs n ALA 93 Ca -0.05 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.60 3khs n ALA 93 Cb 0.15 -1.39 0.29 0.00 0.00 0.00 0.00 19.45 18.50 3khs n ALA 93 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3khs n THR 94 N -2.29 1.32 -0.32 0.00 -2.24 -0.89 -4.51 114.28 105.34 3khs n THR 94 Ca 0.02 -1.11 -0.03 0.00 -2.27 0.00 0.00 64.05 60.65 3khs n THR 94 Cb 0.21 0.35 0.11 0.00 -2.10 0.00 0.00 70.33 68.89 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 3.60 1.21 0.00 4.78 3.57 -0.82 -2.24 116.94 127.04 3khs h PHE 95 Ca 0.00 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 3khs h PHE 95 Cb 1.10 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 3khs h PHE 95 CO 0.52 0.83 -0.01 -1.35 -2.23 0.00 0.00 178.31 176.07 3khs h PRO 96 N 1.24 0.00 -0.21 6.41 0.11 -1.81 -0.84 132.00 136.91 3khs h PRO 96 Ca 0.31 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.29 3khs h PRO 96 Cb 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 3khs h PRO 96 CO -0.05 0.01 -0.44 0.52 -0.21 0.00 0.00 178.00 177.83 3khs h MET 97 N 0.00 0.51 -0.15 1.05 2.86 -1.73 0.16 114.93 117.63 3khs h MET 97 Ca -0.00 -0.27 -0.14 0.00 -2.06 0.00 0.00 59.70 57.23 3khs h MET 97 Cb 0.03 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3khs h MET 97 CO 0.00 0.85 -0.50 0.00 1.06 0.00 0.00 176.91 178.32 3khs h ARG 98 N 0.41 0.40 -0.16 1.72 3.08 -1.16 -2.17 114.38 116.49 3khs h ARG 98 Ca 0.03 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 3khs h ARG 98 Cb 0.94 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3khs h ARG 98 CO 0.08 0.81 0.04 0.28 -1.07 0.00 0.00 179.97 180.11 3khs h VAL 99 N 0.31 1.20 -0.67 2.04 2.07 -0.72 -1.26 116.25 119.22 3khs h VAL 99 Ca 0.01 -0.63 0.13 0.00 0.82 0.00 0.00 66.70 67.03 3khs h VAL 99 Cb 0.99 1.31 -0.09 0.00 -1.52 0.00 0.00 31.29 31.98 3khs h VAL 99 CO 0.09 0.19 0.19 -0.26 0.02 0.00 0.00 177.57 177.80 3khs h PHE 100 N 0.08 0.32 -0.25 1.57 -1.00 -0.49 0.18 116.94 117.35 3khs h PHE 100 Ca 0.05 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 3khs h PHE 100 Cb 0.26 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 3khs h PHE 100 CO 0.01 -0.00 0.13 -0.22 -1.61 0.00 0.00 178.31 176.62 3khs h LYS 101 N 0.33 0.35 0.00 1.51 3.64 -1.03 -2.00 116.57 119.36 3khs h LYS 101 Ca 0.36 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 3khs h LYS 101 Cb 0.54 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3khs h LYS 101 CO -0.41 0.32 -0.03 0.00 -2.27 0.00 0.00 179.45 177.05 3khs h ALA 102 N 1.01 1.13 -0.00 5.00 0.00 -0.05 0.08 119.26 126.43 3khs h ALA 102 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3khs h ALA 102 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3khs h ALA 102 CO -0.01 0.03 -0.13 1.28 0.00 0.00 0.00 179.25 180.42 3khs n LEU 103 N -3.31 0.27 0.00 0.00 4.77 -0.06 -4.90 117.00 113.76 3khs n LEU 103 Ca -0.02 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3khs n LEU 103 Cb 0.16 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3khs n LEU 103 CO 0.25 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3khs n GLY 104 N 1.38 0.83 3.77 -0.72 0.00 0.01 -4.33 105.19 106.13 3khs n GLY 104 Ca 0.11 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 2.14 -0.11 1.61 1.01 -0.82 -4.63 120.40 117.60 3khs s VAL 105 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.18 3khs s VAL 105 Cb 0.00 -3.09 -0.11 0.00 0.00 0.00 0.00 36.38 33.18 3khs s VAL 105 CO 0.00 0.03 -0.02 0.29 0.00 0.00 0.00 175.10 175.40 3khs n LYS 106 N 1.11 1.62 -4.70 2.72 4.76 0.13 -4.72 118.16 119.08 3khs n LYS 106 Ca 0.03 0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.25 3khs n LYS 106 Cb 0.39 -1.26 -0.16 0.00 -1.84 0.00 0.00 35.03 32.16 3khs n LYS 106 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3khs s ILE 107 N -2.25 1.24 -0.09 -0.18 1.01 -1.15 -1.27 121.20 118.49 3khs s ILE 107 Ca -0.10 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 59.98 3khs s ILE 107 Cb 0.04 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.44 3khs s ILE 107 CO 0.38 0.36 -0.22 -0.69 0.00 0.00 0.00 174.94 174.77 3khs s VAL 108 N 0.06 1.92 -0.30 2.92 1.01 0.73 0.12 120.40 126.85 3khs s VAL 108 Ca -0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 3khs s VAL 108 Cb -0.10 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.65 3khs s VAL 108 CO 0.01 0.53 0.04 -0.69 0.00 0.00 0.00 175.10 174.99 3khs s VAL 109 N 0.38 3.36 0.04 2.92 1.01 0.42 -1.56 120.40 126.96 3khs s VAL 109 Ca -0.18 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.66 3khs s VAL 109 Cb -0.18 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3khs s VAL 109 CO 0.08 -0.06 0.08 -0.76 0.00 0.00 0.00 175.10 174.44 3khs s LEU 110 N 1.34 3.83 0.09 3.92 2.01 0.95 -1.33 118.68 129.50 3khs s LEU 110 Ca -0.02 0.06 0.03 0.00 0.01 0.00 0.00 54.13 54.20 3khs s LEU 110 Cb -0.19 -2.39 -0.04 0.00 0.01 0.00 0.00 46.19 43.59 3khs s LEU 110 CO 0.00 0.22 -0.08 0.42 1.01 0.00 0.00 176.35 177.92 3khs s THR 111 N -1.30 0.75 0.21 5.49 -4.23 -0.84 -0.84 115.64 114.88 3khs s THR 111 Ca 0.26 -1.67 -0.23 0.00 -1.18 0.00 0.00 61.69 58.88 3khs s THR 111 Cb -0.12 -1.36 0.04 0.00 1.34 0.00 0.00 72.50 72.40 3khs s THR 111 CO 0.18 -0.67 0.76 0.54 -0.54 0.00 0.00 174.62 174.90 3khs s ASN 112 N -2.56 -0.30 -0.14 3.99 2.20 -1.07 -2.66 114.94 114.40 3khs s ASN 112 Ca 0.05 -0.41 -0.04 0.00 -0.94 0.00 0.00 52.86 51.53 3khs s ASN 112 Cb -0.00 0.63 -0.03 0.00 -2.00 0.00 0.00 41.25 39.84 3khs s ASN 112 CO -0.02 -1.13 -0.02 0.00 -2.94 0.00 0.00 177.10 172.99 3khs s ALA 113 N -3.69 3.09 0.15 3.54 0.00 -1.26 -0.13 121.76 123.46 3khs s ALA 113 Ca 0.09 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 3khs s ALA 113 Cb -0.04 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 3khs s ALA 113 CO 0.01 0.29 0.05 0.00 0.00 0.00 0.00 175.76 176.11 3khs s ALA 114 N 0.12 1.01 -0.18 0.00 0.00 0.07 -4.81 121.76 117.96 3khs s ALA 114 Ca 0.00 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 3khs s ALA 114 Cb -0.13 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 3khs s ALA 114 CO 0.02 -0.47 0.31 0.20 0.00 0.00 0.00 175.76 175.83 3khs s GLY 115 N -3.09 2.15 0.04 0.00 0.00 -0.51 -1.64 107.32 104.28 3khs s GLY 115 Ca 0.26 -0.52 -0.28 0.00 0.00 0.00 0.00 44.72 44.19 3khs s GLY 115 CO 0.03 0.54 0.87 -0.32 0.00 0.00 0.00 173.10 174.23 3khs s GLY 116 N 0.70 2.87 -0.13 0.20 0.00 0.36 -0.71 107.32 110.61 3khs s GLY 116 Ca 0.16 0.42 0.11 0.00 0.00 0.00 0.00 44.72 45.41 3khs s GLY 116 CO 0.05 1.36 0.03 1.04 0.00 0.00 0.00 173.10 175.58 3khs n LEU 117 N 3.18 0.20 -4.68 0.66 4.77 0.64 -0.95 117.00 120.81 3khs n LEU 117 Ca 0.01 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 3khs n LEU 117 Cb 0.50 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 3khs n LEU 117 CO 0.50 0.35 1.47 0.21 -1.33 0.00 0.00 177.39 178.58 3khs s ASN 118 N -4.64 6.48 0.57 -1.43 3.84 -0.61 -4.88 114.94 114.27 3khs s ASN 118 Ca -0.07 2.65 0.32 0.00 0.21 0.00 0.00 52.86 55.97 3khs s ASN 118 Cb 0.04 -2.55 1.45 0.00 -0.55 0.00 0.00 41.25 39.63 3khs s ASN 118 CO 0.51 -0.99 1.79 -0.65 -2.79 0.00 0.00 177.10 174.97 3khs h PRO 119 N 9.10 0.00 -0.09 0.43 0.11 -1.92 -0.83 132.00 138.79 3khs h PRO 119 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3khs h PRO 119 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 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 -3.92 2.33 -4.83 -2.05 3.41 -1.26 -4.92 113.62 102.37 3khs n SER 120 Ca 0.19 -1.78 -0.33 0.00 -0.26 0.00 0.00 58.87 56.69 3khs n SER 120 Cb 1.06 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.90 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 -1.90 3.34 0.08 7.33 1.51 -0.32 -5.08 117.35 122.31 3khs s TYR 121 Ca 0.34 1.49 0.05 0.00 -1.01 0.00 0.00 57.07 57.94 3khs s TYR 121 Cb 0.20 -2.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 3khs s TYR 121 CO 0.31 -0.08 -0.13 1.03 -1.11 0.00 0.00 175.55 175.56 3khs s ARG 122 N -3.22 0.82 0.28 -0.62 0.52 -1.26 -4.97 118.95 110.51 3khs s ARG 122 Ca 0.60 -0.99 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 3khs s ARG 122 Cb -0.09 -0.77 -0.12 0.00 0.52 0.00 0.00 34.95 34.49 3khs s ARG 122 CO 0.16 0.16 1.61 -0.35 0.02 0.00 0.00 175.30 176.91 3khs n PRO 123 N 1.14 2.71 0.00 3.54 -0.04 -1.26 -1.35 135.00 139.74 3khs n PRO 123 Ca -0.20 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 3khs n PRO 123 Cb 0.55 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 2.42 2.77 3.69 0.55 0.00 0.74 -5.01 105.19 110.35 3khs n GLY 124 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.22 2.81 -0.05 1.61 1.01 -0.45 -4.74 116.67 115.64 3khs s ASP 125 Ca 0.00 1.23 0.06 0.00 0.71 0.00 0.00 52.55 54.56 3khs s ASP 125 Cb 0.00 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 42.02 3khs s ASP 125 CO 0.00 -3.02 -0.25 -0.36 0.21 0.00 0.00 175.17 171.75 3khs s PHE 126 N -2.97 2.42 -0.27 4.23 2.99 0.42 -0.34 117.98 124.45 3khs s PHE 126 Ca 0.65 -0.63 0.03 0.00 0.00 0.00 0.00 56.93 56.98 3khs s PHE 126 Cb -0.18 -1.57 0.07 0.00 0.00 0.00 0.00 43.02 41.33 3khs s PHE 126 CO 0.57 -0.16 -0.09 1.41 -0.00 0.00 0.00 175.22 176.96 3khs s MET 127 N -0.30 2.12 0.20 0.44 1.75 0.92 -0.11 119.30 124.32 3khs s MET 127 Ca 0.01 -1.41 -0.30 0.00 -1.25 0.00 0.00 55.69 52.74 3khs s MET 127 Cb -0.13 -2.92 -0.09 0.00 2.84 0.00 0.00 34.83 34.54 3khs s MET 127 CO 0.02 -0.62 1.25 0.08 -0.65 0.00 0.00 175.02 175.10 3khs s VAL 128 N 1.08 3.36 -0.22 10.11 1.01 0.90 -0.63 120.40 136.01 3khs s VAL 128 Ca -0.06 1.15 -0.24 0.00 0.00 0.00 0.00 61.98 62.83 3khs s VAL 128 Cb -0.20 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 3khs s VAL 128 CO -0.05 0.19 0.77 -0.69 0.00 0.00 0.00 175.10 175.31 3khs s VAL 129 N -0.09 4.89 -0.04 2.92 1.01 0.32 -1.34 120.40 128.07 3khs s VAL 129 Ca 0.54 1.47 0.20 0.00 0.00 0.00 0.00 61.98 64.18 3khs s VAL 129 Cb -0.35 -4.07 -0.31 0.00 0.00 0.00 0.00 36.38 31.66 3khs s VAL 129 CO 0.38 -0.01 0.41 -2.11 0.00 0.00 0.00 175.10 173.77 3khs n ARG 130 N 5.64 0.64 -3.69 2.72 1.85 -0.24 -4.65 116.66 118.94 3khs n ARG 130 Ca 0.03 -0.17 -0.04 0.00 -1.00 0.00 0.00 57.85 56.68 3khs n ARG 130 Cb 0.48 -1.48 -0.01 0.00 -1.05 0.00 0.00 32.46 30.40 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 -4.44 -0.20 0.15 2.89 2.15 -1.24 -4.58 116.67 111.40 3khs s ASP 131 Ca -0.08 -0.30 -0.00 0.00 0.43 0.00 0.00 52.55 52.60 3khs s ASP 131 Cb 0.12 0.44 -0.04 0.00 -0.30 0.00 0.00 42.92 43.14 3khs s ASP 131 CO 0.84 -0.79 0.05 -1.38 -0.17 0.00 0.00 175.17 173.72 3khs s HIS 132 N -3.17 0.98 -0.24 -5.34 -3.43 -1.26 -0.97 115.29 101.86 3khs s HIS 132 Ca 0.11 -1.20 0.00 0.00 -0.80 0.00 0.00 55.06 53.17 3khs s HIS 132 Cb -0.01 -0.54 0.06 0.00 -1.43 0.00 0.00 32.58 30.66 3khs s HIS 132 CO -0.01 -0.46 -0.02 0.42 -2.00 0.00 0.00 174.74 172.67 3khs s ILE 133 N -3.97 1.34 -0.76 -5.38 1.01 -0.12 -4.91 121.20 108.41 3khs s ILE 133 Ca 0.26 -1.15 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 3khs s ILE 133 Cb 0.07 -1.68 0.20 0.00 0.01 0.00 0.00 42.46 41.06 3khs s ILE 133 CO 0.03 -0.17 0.66 0.21 0.00 0.00 0.00 174.94 175.67 3khs s ASN 134 N 1.47 6.20 0.12 3.58 2.47 -1.26 -0.12 114.94 127.40 3khs s ASN 134 Ca -0.03 -2.80 -0.21 0.00 0.42 0.00 0.00 52.86 50.24 3khs s ASN 134 Cb -0.18 -2.07 -0.05 0.00 -1.45 0.00 0.00 41.25 37.49 3khs s ASN 134 CO -0.08 -0.48 1.71 -0.07 -3.72 0.00 0.00 177.10 174.46 3khs h LEU 135 N 7.44 -0.17 -1.41 3.21 3.38 -1.85 -2.56 115.31 123.36 3khs h LEU 135 Ca 0.07 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3khs h LEU 135 Cb 1.00 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3khs h LEU 135 CO 0.74 -0.06 0.44 -0.65 0.09 0.00 0.00 178.44 178.99 3khs h PRO 136 N -0.01 0.74 0.00 1.13 0.11 -1.87 -1.42 132.00 130.68 3khs h PRO 136 Ca 0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3khs h PRO 136 Cb 0.13 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3khs h PRO 136 CO -0.17 0.49 0.00 0.41 -0.21 0.00 0.00 178.00 178.52 3khs n GLY 137 N -1.45 -1.18 0.09 -0.55 0.00 -0.98 -1.39 105.19 99.72 3khs n GLY 137 Ca 0.08 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.76 0.63 -3.00 0.99 4.77 -0.55 -4.41 117.00 113.67 3khs n LEU 138 Ca 0.04 0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 56.05 3khs n LEU 138 Cb 0.22 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 3khs n LEU 138 CO 0.18 0.00 -0.02 0.00 -1.33 0.00 0.00 177.39 176.22 3khs n ALA 139 N -2.30 3.50 -0.15 -1.18 0.00 -0.98 -4.97 120.51 114.43 3khs n ALA 139 Ca -0.06 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.35 3khs n ALA 139 Cb 0.69 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.03 0.92 2.54 0.00 0.00 -1.23 -4.97 105.19 102.42 3khs n GLY 140 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.56 1.76 -2.63 4.61 0.00 -0.48 -5.04 120.51 117.17 3khs n ALA 141 Ca 0.00 -2.54 -0.38 0.00 0.00 0.00 0.00 53.44 50.52 3khs n ALA 141 Cb 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.19 6.71 0.22 0.00 3.84 -1.26 -3.28 114.94 118.99 3khs s ASN 142 Ca 0.29 0.84 0.19 0.00 0.21 0.00 0.00 52.86 54.39 3khs s ASN 142 Cb 0.38 -2.26 0.90 0.00 -0.55 0.00 0.00 41.25 39.72 3khs s ASN 142 CO -0.04 0.14 1.58 -0.81 -2.79 0.00 0.00 177.10 175.18 3khs n PRO 143 N 2.95 0.13 0.00 0.43 -0.04 -1.26 -1.65 135.00 135.55 3khs n PRO 143 Ca -0.10 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 63.95 3khs n PRO 143 Cb 0.52 -1.82 0.07 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.08 2.55 -4.72 1.53 4.77 -1.26 -4.12 117.00 113.68 3khs n LEU 144 Ca 0.01 -0.96 -0.43 0.00 -0.03 0.00 0.00 56.01 54.60 3khs n LEU 144 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3khs n LEU 144 CO 0.13 0.44 1.29 0.41 -1.33 0.00 0.00 177.39 178.33 3khs n THR 145 N 0.95 0.37 0.00 -5.08 -1.04 -0.66 -4.73 114.28 104.09 3khs n THR 145 Ca 0.11 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3khs n THR 145 Cb 0.49 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 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 3.23 0.57 3.78 3.41 0.00 -1.26 -4.95 105.19 109.98 3khs n GLY 146 Ca 0.14 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.84 3.86 -0.11 1.61 0.04 -1.26 -5.05 135.00 133.26 3khs s PRO 147 Ca 0.00 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.62 3khs s PRO 147 Cb 0.00 -2.32 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 3khs s PRO 147 CO 0.00 -0.41 -0.18 1.21 0.04 0.00 0.00 177.00 177.66 3khs s ASN 148 N -1.64 3.61 -0.57 6.66 2.47 -1.26 -5.03 114.94 119.18 3khs s ASN 148 Ca 0.64 -0.41 -0.25 0.00 0.42 0.00 0.00 52.86 53.25 3khs s ASN 148 Cb -0.23 -1.41 0.04 0.00 -1.45 0.00 0.00 41.25 38.20 3khs s ASN 148 CO 0.27 0.19 1.02 -0.62 -3.72 0.00 0.00 177.10 174.24 3khs s ASP 149 N 0.21 6.36 0.00 -4.21 2.15 -1.26 -4.88 116.67 115.05 3khs s ASP 149 Ca -0.11 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.63 3khs s ASP 149 Cb -0.16 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3khs s ASP 149 CO 0.06 -1.32 0.79 0.47 -0.17 0.00 0.00 175.17 175.01 3khs n ASP 150 N 7.80 0.00 -0.40 -0.34 8.00 -1.26 -0.20 116.55 130.14 3khs n ASP 150 Ca 0.04 0.31 0.10 0.00 0.71 0.00 0.00 54.79 55.95 3khs n ASP 150 Cb 0.48 -0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 41.25 3khs n ASP 150 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3khs n THR 151 N -1.29 0.00 -0.10 -3.53 -1.04 -1.26 -4.25 114.28 102.81 3khs n THR 151 Ca 0.00 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.05 61.64 3khs n THR 151 Cb 0.05 1.21 -0.16 0.00 -1.82 0.00 0.00 70.33 69.61 3khs n THR 151 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3khs n GLU 152 N -0.21 0.68 0.00 -2.82 4.71 0.72 -5.07 120.64 118.65 3khs n GLU 152 Ca 0.08 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 3khs n GLU 152 Cb 0.40 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 29.29 3khs n GLU 152 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3khs n GLY 153 N 1.76 -0.38 3.76 0.62 0.00 -1.06 -4.64 105.19 105.26 3khs n GLY 153 Ca -0.32 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 3khs n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khs s GLU 154 N -2.00 2.90 0.04 1.61 0.41 -1.26 -4.26 118.70 116.13 3khs s GLU 154 Ca 0.00 1.61 -0.20 0.00 -0.41 0.00 0.00 54.97 55.96 3khs s GLU 154 Cb 0.00 -1.94 -0.15 0.00 -1.78 0.00 0.00 34.13 30.26 3khs s GLU 154 CO 0.00 -1.21 1.32 -0.09 -0.49 0.00 0.00 175.26 174.79 3khs h ARG 155 N 0.50 0.36 -2.64 1.61 1.12 -1.94 -3.35 114.38 110.04 3khs h ARG 155 Ca -0.49 -0.20 -0.64 0.00 -1.11 0.00 0.00 59.98 57.54 3khs h ARG 155 Cb 1.27 0.01 -0.40 0.00 -0.01 0.00 0.00 29.97 30.85 3khs h ARG 155 CO 0.54 0.77 -0.38 1.19 -3.11 0.00 0.00 179.97 178.99 3khs n PHE 156 N -4.53 3.50 -2.02 2.20 3.72 -1.26 -5.05 117.46 114.02 3khs n PHE 156 Ca -0.06 -4.04 -0.41 0.00 -0.05 0.00 0.00 57.45 52.89 3khs n PHE 156 Cb 0.38 -0.73 -0.02 0.00 -0.94 0.00 0.00 39.48 38.18 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 -2.12 4.28 0.23 -1.08 0.04 -1.26 -4.99 135.00 130.11 3khs s PRO 157 Ca 0.34 2.32 -0.30 0.00 0.04 0.00 0.00 61.00 63.39 3khs s PRO 157 Cb 0.06 -3.07 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 3khs s PRO 157 CO -0.06 -0.34 1.05 0.45 0.04 0.00 0.00 177.00 178.14 3khs s SER 158 N -0.08 7.39 -0.20 6.66 0.15 -1.26 -4.93 113.70 121.43 3khs s SER 158 Ca 0.54 2.11 0.14 0.00 0.70 0.00 0.00 55.95 59.44 3khs s SER 158 Cb -0.42 -2.61 0.42 0.00 -1.71 0.00 0.00 66.02 61.69 3khs s SER 158 CO 0.51 -0.07 1.29 0.23 1.20 0.00 0.00 173.24 176.40 3khs n MET 159 N 1.65 1.77 0.22 5.44 2.81 -1.26 -4.72 117.12 123.02 3khs n MET 159 Ca -0.00 -2.97 0.08 0.00 -1.81 0.00 0.00 57.70 52.99 3khs n MET 159 Cb 0.46 -1.66 0.49 0.00 -0.71 0.00 0.00 33.22 31.80 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 0.81 0.80 -2.01 2.03 2.02 -2.04 -3.32 112.91 111.21 3khs h THR 160 Ca 0.05 -1.07 -0.49 0.00 0.77 0.00 0.00 66.41 65.67 3khs h THR 160 Cb 1.22 1.66 -0.40 0.00 -1.74 0.00 0.00 68.15 68.89 3khs h THR 160 CO 0.12 0.26 -1.16 -1.20 0.37 0.00 0.00 175.52 173.91 3khs n SER 161 N -3.66 1.10 -0.28 4.18 7.64 -1.26 -4.94 113.62 116.41 3khs n SER 161 Ca -0.01 -3.05 0.02 0.00 1.01 0.00 0.00 58.87 56.84 3khs n SER 161 Cb 0.38 -0.61 0.23 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.17 1.13 -3.30 0.44 2.07 -1.90 -3.38 116.25 112.48 3khs h VAL 162 Ca 0.10 -0.36 -0.73 0.00 0.82 0.00 0.00 66.70 66.52 3khs h VAL 162 Cb 0.94 -0.01 -0.25 0.00 -1.52 0.00 0.00 31.29 30.45 3khs h VAL 162 CO 0.52 0.19 -0.35 -0.31 0.02 0.00 0.00 177.57 177.64 3khs s TYR 163 N -5.90 3.29 -0.46 1.57 2.02 -1.26 -4.09 117.35 112.51 3khs s TYR 163 Ca -0.11 -1.28 -0.44 0.00 -0.37 0.00 0.00 57.07 54.87 3khs s TYR 163 Cb 0.19 -3.27 -0.18 0.00 -0.40 0.00 0.00 41.96 38.29 3khs s TYR 163 CO 0.79 -0.88 1.87 -3.47 -1.57 0.00 0.00 175.55 172.30 3khs n ASP 164 N 5.10 1.23 -0.34 2.29 2.03 -0.85 -4.84 116.55 121.18 3khs n ASP 164 Ca -0.12 0.92 0.06 0.00 0.52 0.00 0.00 54.79 56.18 3khs n ASP 164 Cb 0.42 -0.95 0.25 0.00 -0.72 0.00 0.00 41.12 40.12 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 7.36 0.97 -0.33 -0.67 1.57 -1.91 -1.47 116.57 122.09 3khs h LYS 165 Ca -0.30 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 3khs h LYS 165 Cb 1.38 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3khs h LYS 165 CO 1.02 0.64 -0.10 1.15 -0.57 0.00 0.00 179.45 181.60 3khs h THR 166 N 1.00 1.28 -0.05 -0.16 2.02 -1.98 -1.99 112.91 113.03 3khs h THR 166 Ca 0.45 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.40 3khs h THR 166 Cb 0.38 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3khs h THR 166 CO -0.21 0.38 -0.27 -0.07 0.37 0.00 0.00 175.52 175.72 3khs h LEU 167 N 0.43 0.08 -0.10 2.58 3.38 -1.77 -1.59 115.31 118.32 3khs h LEU 167 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3khs h LEU 167 Cb 0.60 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3khs h LEU 167 CO 0.04 0.36 0.02 0.03 0.09 0.00 0.00 178.44 178.97 3khs h ARG 168 N 0.07 0.16 -0.70 1.13 3.08 -1.05 -1.35 114.38 115.72 3khs h ARG 168 Ca 0.01 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.12 3khs h ARG 168 Cb 0.53 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 3khs h ARG 168 CO 0.04 0.37 0.32 0.87 -1.07 0.00 0.00 179.97 180.50 3khs h LYS 169 N -0.07 0.53 -0.60 0.04 1.57 -0.82 0.15 116.57 117.37 3khs h LYS 169 Ca 0.03 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3khs h LYS 169 Cb 0.28 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3khs h LYS 169 CO 0.00 0.35 0.35 1.88 -0.57 0.00 0.00 179.45 181.46 3khs h TYR 170 N 0.54 0.65 -0.20 -1.35 0.05 -1.06 -1.31 116.97 114.29 3khs h TYR 170 Ca 0.35 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.14 3khs h TYR 170 Cb 0.41 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 3khs h TYR 170 CO -0.13 0.35 0.07 0.00 -1.05 0.00 0.00 178.16 177.40 3khs h ALA 171 N 1.28 0.26 -0.17 3.88 0.00 0.25 0.84 119.26 125.60 3khs h ALA 171 Ca 0.25 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3khs h ALA 171 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3khs h ALA 171 CO -0.13 -0.13 0.10 0.82 0.00 0.00 0.00 179.25 179.91 3khs h ILE 172 N 0.15 1.02 -0.06 0.00 1.08 -0.56 -1.17 117.51 117.97 3khs h ILE 172 Ca 0.06 -0.07 -0.11 0.00 -0.39 0.00 0.00 64.86 64.35 3khs h ILE 172 Cb 0.21 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 3khs h ILE 172 CO -0.00 0.04 -0.46 0.77 -0.69 0.00 0.00 178.15 177.80 3khs h SER 173 N 0.21 0.15 -0.14 1.72 4.64 -1.20 -1.50 113.55 117.43 3khs h SER 173 Ca 0.06 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 3khs h SER 173 Cb -0.01 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3khs h SER 173 CO -0.03 0.59 -0.17 0.00 -0.87 0.00 0.00 176.83 176.36 3khs h ALA 174 N 1.41 1.15 -0.15 5.18 0.00 -0.48 0.16 119.26 126.53 3khs h ALA 174 Ca 0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3khs h ALA 174 Cb 0.86 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3khs h ALA 174 CO 0.07 0.54 -0.06 0.00 0.00 0.00 0.00 179.25 179.79 3khs h ALA 175 N 1.33 0.20 0.27 0.00 0.00 -0.77 -1.13 119.26 119.17 3khs h ALA 175 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3khs h ALA 175 Cb 0.57 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3khs h ALA 175 CO 0.04 -0.01 -0.39 -0.09 0.00 0.00 0.00 179.25 178.80 3khs h ARG 176 N -0.03 -0.70 -0.93 0.00 2.43 -0.97 0.24 114.38 114.43 3khs h ARG 176 Ca 0.03 0.05 0.25 0.00 -0.81 0.00 0.00 59.98 59.51 3khs h ARG 176 Cb 0.52 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 3khs h ARG 176 CO 0.02 -0.46 0.65 0.93 -1.51 0.00 0.00 179.97 179.59 3khs h GLU 177 N -0.72 0.11 -0.01 0.20 5.08 -0.61 0.38 114.58 119.01 3khs h GLU 177 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3khs h GLU 177 Cb 0.69 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3khs h GLU 177 CO -0.14 0.07 -0.14 1.28 -1.00 0.00 0.00 179.01 179.08 3khs n LEU 178 N -4.34 1.26 0.00 1.33 4.77 -0.44 -4.94 117.00 114.65 3khs n LEU 178 Ca 0.20 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3khs n LEU 178 Cb 0.92 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 3khs n LEU 178 CO 0.36 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3khs n GLY 179 N 1.27 0.55 0.40 -0.72 0.00 0.14 -4.96 105.19 101.85 3khs n GLY 179 Ca 0.15 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.72 2.59 -0.27 1.61 2.81 -0.05 -4.75 117.12 117.34 3khs n MET 180 Ca 0.00 -2.18 0.19 0.00 -1.81 0.00 0.00 57.70 53.89 3khs n MET 180 Cb 0.26 -1.37 0.48 0.00 -0.71 0.00 0.00 33.22 31.89 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 0.98 0.46 1.52 7.83 4.64 -1.81 -0.52 113.55 126.66 3khs h SER 181 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3khs h SER 181 Cb 0.88 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3khs h SER 181 CO 0.05 0.18 0.00 1.88 -0.87 0.00 0.00 176.83 178.07 3khs h TYR 182 N 0.46 0.00 -0.33 4.77 0.05 -1.94 -3.19 116.97 116.79 3khs h TYR 182 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.28 3khs h TYR 182 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 3khs h TYR 182 CO -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 3khs n ALA 183 N -1.89 2.18 -3.68 3.88 0.00 -0.29 -4.94 120.51 115.77 3khs n ALA 183 Ca 0.04 -1.12 -0.33 0.00 0.00 0.00 0.00 53.44 52.04 3khs n ALA 183 Cb 0.43 -0.42 -0.16 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.00 2.36 0.52 0.00 2.01 -0.66 -0.44 115.64 118.44 3khs s THR 184 Ca 0.22 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.37 3khs s THR 184 Cb 0.12 -1.98 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 3khs s THR 184 CO 0.15 0.53 0.02 -1.00 -0.69 0.00 0.00 174.62 173.63 3khs s HIS 185 N 0.97 1.79 -0.07 4.92 0.09 0.84 -4.91 115.29 118.92 3khs s HIS 185 Ca -0.03 -0.98 -0.01 0.00 -0.00 0.00 0.00 55.06 54.04 3khs s HIS 185 Cb -0.15 -1.61 0.03 0.00 -0.00 0.00 0.00 32.58 30.85 3khs s HIS 185 CO -0.04 0.18 -0.00 -2.00 -0.00 0.00 0.00 174.74 172.88 3khs s GLU 186 N -3.91 0.60 0.00 1.40 2.12 -1.26 -0.07 118.70 117.58 3khs s GLU 186 Ca 0.04 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.46 3khs s GLU 186 Cb 0.01 -0.92 0.00 0.00 0.26 0.00 0.00 34.13 33.47 3khs s GLU 186 CO 0.02 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 3khs n GLY 187 N 4.99 2.21 3.69 -1.50 0.00 -0.45 -4.92 105.19 109.21 3khs n GLY 187 Ca -0.10 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.93 5.24 -0.22 1.61 1.01 -1.26 -1.07 120.40 122.77 3khs s VAL 188 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 3khs s VAL 188 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 3khs s VAL 188 CO 0.00 0.30 0.25 -0.47 0.00 0.00 0.00 175.10 175.18 3khs s TYR 189 N 1.02 3.35 -0.25 5.22 5.04 -0.14 -1.41 117.35 130.18 3khs s TYR 189 Ca 0.18 0.39 -0.08 0.00 -2.44 0.00 0.00 57.07 55.11 3khs s TYR 189 Cb -0.14 -2.35 -0.04 0.00 0.35 0.00 0.00 41.96 39.78 3khs s TYR 189 CO 0.07 0.07 0.11 0.00 -1.34 0.00 0.00 175.55 174.46 3khs s VAL 192 N 0.97 1.80 0.07 0.00 -7.23 -0.82 -2.20 120.40 112.99 3khs s VAL 192 Ca 0.09 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.08 3khs s VAL 192 Cb -0.13 -2.90 -0.10 0.00 0.56 0.00 0.00 36.38 33.81 3khs s VAL 192 CO 0.04 0.00 1.44 -1.13 -0.31 0.00 0.00 175.10 175.14 3khs h ASN 193 N 1.79 0.50 -4.09 4.85 -1.24 -1.91 -3.39 115.58 112.08 3khs h ASN 193 Ca -0.43 -0.41 0.00 0.00 0.71 0.00 0.00 56.30 56.17 3khs h ASN 193 Cb 1.25 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.16 3khs h ASN 193 CO 0.78 0.79 0.00 0.61 -1.29 0.00 0.00 177.43 178.33 3khs n GLY 194 N -0.03 -2.16 0.24 1.57 0.00 -1.26 -3.60 105.19 99.95 3khs n GLY 194 Ca -0.04 -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 -0.21 0.87 -2.63 1.61 -0.04 -1.26 -4.79 135.00 128.54 3khs n PRO 195 Ca 0.00 -0.49 -0.40 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 -2.47 7.48 0.73 3.54 1.04 -1.26 -5.02 113.70 117.74 3khs s SER 196 Ca 0.26 2.09 -0.11 0.00 0.48 0.00 0.00 55.95 58.67 3khs s SER 196 Cb 0.19 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.73 3khs s SER 196 CO 0.50 0.03 1.07 -0.36 0.98 0.00 0.00 173.24 175.46 3khs s PHE 197 N -1.15 2.87 0.55 5.02 0.08 -1.26 -5.00 117.98 119.08 3khs s PHE 197 Ca 0.43 1.47 -0.15 0.00 0.12 0.00 0.00 56.93 58.79 3khs s PHE 197 Cb -0.29 -2.96 -0.06 0.00 -0.57 0.00 0.00 43.02 39.14 3khs s PHE 197 CO 0.36 -1.51 1.00 -1.83 -0.10 0.00 0.00 175.22 173.15 3khs s GLU 198 N -4.99 3.79 0.78 0.44 1.03 -1.26 -5.05 118.70 113.44 3khs s GLU 198 Ca 0.59 0.93 -0.11 0.00 0.03 0.00 0.00 54.97 56.42 3khs s GLU 198 Cb -0.15 -2.11 0.06 0.00 -0.80 0.00 0.00 34.13 31.12 3khs s GLU 198 CO 0.55 -0.41 1.08 0.95 -1.33 0.00 0.00 175.26 176.11 3khs s THR 199 N -2.75 3.34 0.32 1.83 -4.23 -1.26 -4.78 115.64 108.12 3khs s THR 199 Ca 0.58 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.53 3khs s THR 199 Cb -0.11 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 70.89 3khs s THR 199 CO 0.38 -0.57 1.97 -0.65 -0.54 0.00 0.00 174.62 175.21 3khs h PRO 200 N -1.05 0.94 -0.24 3.99 0.11 -1.93 0.93 132.00 134.75 3khs h PRO 200 Ca -0.46 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3khs h PRO 200 Cb 1.25 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3khs h PRO 200 CO 0.56 0.65 -0.02 0.00 -0.21 0.00 0.00 178.00 178.98 3khs h ALA 201 N 1.52 1.54 -0.00 -0.75 0.00 -1.92 -1.17 119.26 118.48 3khs h ALA 201 Ca 0.26 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 3khs h ALA 201 Cb -0.07 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.63 3khs h ALA 201 CO -0.05 0.34 -1.04 0.93 0.00 0.00 0.00 179.25 179.43 3khs h GLU 202 N 0.34 0.70 -0.80 0.00 5.08 -1.55 -2.97 114.58 115.38 3khs h GLU 202 Ca 0.08 -0.75 0.02 0.00 -1.00 0.00 0.00 59.36 57.70 3khs h GLU 202 Cb 0.26 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 3khs h GLU 202 CO 0.01 1.32 0.53 0.00 -1.00 0.00 0.00 179.01 179.87 3khs h LYS 204 N 1.06 0.95 -0.61 0.00 1.57 -1.17 -1.25 116.57 117.12 3khs h LYS 204 Ca 0.30 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3khs h LYS 204 Cb -0.08 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 3khs h LYS 204 CO -0.07 0.83 0.38 0.82 -0.57 0.00 0.00 179.45 180.84 3khs h ILE 205 N 0.88 1.09 -0.54 1.86 2.04 -1.09 0.39 117.51 122.15 3khs h ILE 205 Ca 0.20 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3khs h ILE 205 Cb 0.26 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3khs h ILE 205 CO -0.01 0.14 0.29 -0.07 0.00 0.00 0.00 178.15 178.50 3khs h LEU 206 N 0.76 0.65 -0.27 1.44 4.07 -0.58 -0.76 115.31 120.62 3khs h LEU 206 Ca 0.24 -0.05 -0.18 0.00 0.08 0.00 0.00 57.88 57.98 3khs h LEU 206 Cb -0.00 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.57 3khs h LEU 206 CO -0.09 0.53 -0.52 0.03 -1.08 0.00 0.00 178.44 177.31 3khs h ARG 207 N 0.74 0.84 -0.01 1.13 3.08 -0.43 -2.29 114.38 117.45 3khs h ARG 207 Ca 0.19 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3khs h ARG 207 Cb 0.03 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3khs h ARG 207 CO -0.03 1.17 0.00 -0.07 -1.07 0.00 0.00 179.97 179.97 3khs h LEU 208 N 0.61 0.00 -0.04 3.04 3.38 -0.00 -0.70 115.31 121.59 3khs h LEU 208 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3khs h LEU 208 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3khs h LEU 208 CO 0.12 0.00 -0.07 0.23 0.09 0.00 0.00 178.44 178.81 3khs n MET 209 N -4.20 0.28 -0.91 1.13 2.81 -0.38 -4.92 117.12 110.93 3khs n MET 209 Ca -0.03 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 3khs n MET 209 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 1.38 1.09 3.76 3.03 0.00 -0.27 -5.06 105.19 109.12 3khs n GLY 210 Ca 0.11 -0.47 -0.40 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 -2.50 7.21 -0.11 1.61 0.01 -0.89 -4.74 113.70 114.29 3khs s SER 211 Ca 0.00 1.44 0.17 0.00 1.31 0.00 0.00 55.95 58.87 3khs s SER 211 Cb 0.00 -2.45 -0.24 0.00 0.21 0.00 0.00 66.02 63.54 3khs s SER 211 CO 0.00 0.08 0.34 0.47 0.41 0.00 0.00 173.24 174.54 3khs n ASP 212 N 2.49 0.31 -3.67 2.44 8.00 -0.50 -4.49 116.55 121.13 3khs n ASP 212 Ca -0.04 0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 3khs n ASP 212 Cb 0.50 0.74 -0.06 0.00 -0.02 0.00 0.00 41.12 42.28 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 -2.67 -0.91 -0.04 2.24 0.00 -1.03 -0.26 121.76 119.09 3khs s ALA 213 Ca -0.08 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.03 3khs s ALA 213 Cb 0.08 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.66 3khs s ALA 213 CO 0.83 -0.51 -0.10 0.54 0.00 0.00 0.00 175.76 176.53 3khs s VAL 214 N -2.96 0.86 0.35 0.00 0.11 0.11 -0.64 120.40 118.23 3khs s VAL 214 Ca -0.02 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.66 3khs s VAL 214 Cb 0.00 -0.78 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3khs s VAL 214 CO -0.06 0.27 0.44 -0.83 -3.33 0.00 0.00 175.10 171.60 3khs s GLY 215 N 0.35 1.79 -0.30 6.54 0.00 -0.61 -1.42 107.32 113.66 3khs s GLY 215 Ca -0.06 -1.70 0.08 0.00 0.00 0.00 0.00 44.72 43.03 3khs s GLY 215 CO 0.01 -1.13 1.40 1.03 0.00 0.00 0.00 173.10 174.41 3khs n MET 216 N -0.61 2.21 0.00 2.90 2.81 -1.26 -1.94 117.12 121.24 3khs n MET 216 Ca 0.03 -3.43 0.00 0.00 -1.81 0.00 0.00 57.70 52.49 3khs n MET 216 Cb 0.61 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.03 0.00 0.00 7.83 3.41 -1.26 -4.57 113.62 118.01 3khs n SER 217 Ca 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 3khs n SER 217 Cb 0.93 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 -0.01 6.66 -1.04 -1.26 -4.51 114.28 114.13 3khs n THR 218 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3khs n THR 218 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 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 0.05 -0.67 2.41 0.00 -1.96 -0.55 119.26 118.54 3khs h ALA 219 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3khs h ALA 219 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3khs h ALA 219 CO 0.00 -0.51 0.45 -1.00 0.00 0.00 0.00 179.25 178.18 3khs h PRO 220 N -0.05 0.85 -0.49 0.00 0.13 -1.99 -1.25 132.00 129.20 3khs h PRO 220 Ca 0.07 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 3khs h PRO 220 Cb 0.15 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.07 3khs h PRO 220 CO -0.15 0.56 -0.13 0.93 -0.23 0.00 0.00 178.00 178.98 3khs h GLU 221 N 0.87 0.96 0.00 0.86 5.08 -1.76 -2.74 114.58 117.85 3khs h GLU 221 Ca 0.26 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 3khs h GLU 221 Cb -0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3khs h GLU 221 CO -0.06 1.04 -0.46 1.79 -1.00 0.00 0.00 179.01 180.32 3khs h THR 222 N 0.81 0.92 -0.34 1.13 1.35 -0.71 0.08 112.91 116.16 3khs h THR 222 Ca 0.12 -1.88 -0.03 0.00 -0.55 0.00 0.00 66.41 64.07 3khs h THR 222 Cb 0.69 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 3khs h THR 222 CO 0.05 0.45 0.10 0.40 -0.25 0.00 0.00 175.52 176.27 3khs h ILE 223 N 0.00 1.21 -0.32 6.82 2.04 -1.10 -0.66 117.51 125.49 3khs h ILE 223 Ca -0.00 -0.70 -0.15 0.00 1.00 0.00 0.00 64.86 65.01 3khs h ILE 223 Cb 1.13 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3khs h ILE 223 CO 0.06 0.24 -0.39 0.58 0.00 0.00 0.00 178.15 178.64 3khs h VAL 224 N 0.39 1.28 -0.08 1.67 2.07 -1.30 -1.94 116.25 118.35 3khs h VAL 224 Ca 0.11 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 3khs h VAL 224 Cb 0.27 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3khs h VAL 224 CO -0.00 0.51 0.04 0.00 0.02 0.00 0.00 177.57 178.14 3khs h ALA 225 N 0.72 0.10 -0.77 1.67 0.00 -0.92 -0.59 119.26 119.47 3khs h ALA 225 Ca 0.04 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3khs h ALA 225 Cb 0.98 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3khs h ALA 225 CO 0.09 -0.35 0.44 -0.22 0.00 0.00 0.00 179.25 179.21 3khs h LYS 226 N 0.02 0.76 -0.44 0.00 1.63 -1.13 -0.23 116.57 117.19 3khs h LYS 226 Ca 0.03 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 3khs h LYS 226 Cb 0.09 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 3khs h LYS 226 CO -0.00 0.51 0.03 1.25 -3.45 0.00 0.00 179.45 177.79 3khs h HIS 227 N 0.79 0.72 -0.10 1.91 2.76 -1.04 -2.08 115.15 118.11 3khs h HIS 227 Ca 0.35 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 3khs h HIS 227 Cb 0.25 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 3khs h HIS 227 CO -0.06 0.66 0.01 0.41 -1.30 0.00 0.00 177.93 177.65 3khs n GLY 228 N -0.80 1.81 2.43 5.26 0.00 -0.21 -4.55 105.19 109.13 3khs n GLY 228 Ca 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 0.12 0.70 3.93 -0.02 0.00 -0.78 -4.98 105.19 104.16 3khs n GLY 229 Ca 0.05 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.91 3.50 -0.06 1.61 -1.94 -0.52 -5.01 119.30 114.98 3khs s MET 230 Ca 0.00 -0.40 -0.15 0.00 -1.71 0.00 0.00 55.69 53.43 3khs s MET 230 Cb 0.00 -2.87 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 3khs s MET 230 CO 0.00 0.43 0.39 1.03 -0.01 0.00 0.00 175.02 176.86 3khs s ARG 231 N -3.30 4.04 0.08 2.03 0.52 -0.40 -4.00 118.95 117.91 3khs s ARG 231 Ca 0.38 0.34 0.09 0.00 -0.52 0.00 0.00 55.73 56.01 3khs s ARG 231 Cb -0.11 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 3khs s ARG 231 CO 0.29 0.51 -0.21 0.00 0.02 0.00 0.00 175.30 175.91 3khs s LEU 233 N -1.71 1.42 -0.02 0.00 2.96 -0.60 -2.01 118.68 118.71 3khs s LEU 233 Ca 0.15 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3khs s LEU 233 Cb -0.10 -0.15 0.01 0.00 0.50 0.00 0.00 46.19 46.44 3khs s LEU 233 CO 0.06 -0.07 -0.05 0.00 -1.32 0.00 0.00 176.35 174.97 3khs s ALA 234 N 0.69 0.55 -0.08 5.97 0.00 -1.26 -0.03 121.76 127.60 3khs s ALA 234 Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3khs s ALA 234 Cb -0.09 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3khs s ALA 234 CO -0.01 0.08 -0.06 0.08 0.00 0.00 0.00 175.76 175.84 3khs s VAL 235 N 0.25 0.82 -0.12 0.00 1.01 -0.02 -0.52 120.40 121.81 3khs s VAL 235 Ca -0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3khs s VAL 235 Cb -0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3khs s VAL 235 CO -0.00 0.31 0.17 -0.44 0.00 0.00 0.00 175.10 175.14 3khs s SER 236 N 1.34 6.40 -0.25 3.32 0.01 0.20 -2.58 113.70 122.14 3khs s SER 236 Ca -0.03 0.48 -0.18 0.00 1.31 0.00 0.00 55.95 57.53 3khs s SER 236 Cb -0.14 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 3khs s SER 236 CO -0.03 0.36 0.53 -0.22 0.41 0.00 0.00 173.24 174.29 3khs s LEU 237 N -0.81 4.06 -0.93 2.44 1.98 0.81 -0.05 118.68 126.18 3khs s LEU 237 Ca 0.15 0.56 -0.24 0.00 -2.89 0.00 0.00 54.13 51.71 3khs s LEU 237 Cb -0.12 -2.69 0.04 0.00 0.66 0.00 0.00 46.19 44.08 3khs s LEU 237 CO 0.04 -0.29 1.41 -0.63 -1.89 0.00 0.00 176.35 174.99 3khs s ILE 238 N 2.27 3.85 0.27 6.68 -1.09 0.54 -0.75 121.20 132.96 3khs s ILE 238 Ca 0.22 -0.40 0.13 0.00 -2.23 0.00 0.00 60.65 58.38 3khs s ILE 238 Cb -0.16 -4.99 0.05 0.00 -1.58 0.00 0.00 42.46 35.78 3khs s ILE 238 CO 0.09 -1.89 1.69 0.77 -1.23 0.00 0.00 174.94 174.37 3khs h SER 239 N 9.93 0.00 -5.17 3.58 4.64 -1.61 0.21 113.55 125.13 3khs h SER 239 Ca 0.05 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 3khs h SER 239 Cb 1.02 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.01 3khs h SER 239 CO 1.38 0.50 -0.09 0.54 -0.87 0.00 0.00 176.83 178.28 3khs s ASN 240 N -6.74 -0.14 0.01 4.97 4.22 -1.24 -4.63 114.94 111.39 3khs s ASN 240 Ca -0.01 -0.70 0.04 0.00 -2.14 0.00 0.00 52.86 50.05 3khs s ASN 240 Cb 0.13 0.55 -0.01 0.00 1.28 0.00 0.00 41.25 43.19 3khs s ASN 240 CO 0.73 -1.04 -0.12 -0.69 -2.04 0.00 0.00 177.10 173.94 3khs s VAL 241 N -3.94 0.91 -0.09 3.54 1.01 -1.26 -0.48 120.40 120.09 3khs s VAL 241 Ca 0.15 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 3khs s VAL 241 Cb 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 3khs s VAL 241 CO 0.01 0.15 0.40 -0.63 0.00 0.00 0.00 175.10 175.03 3khs s ILE 242 N -0.46 5.17 1.04 2.22 1.01 -0.12 -4.90 121.20 125.15 3khs s ILE 242 Ca 0.03 0.79 -0.13 0.00 0.00 0.00 0.00 60.65 61.34 3khs s ILE 242 Cb -0.05 -3.72 0.21 0.00 0.01 0.00 0.00 42.46 38.90 3khs s ILE 242 CO 0.00 0.44 1.09 0.00 0.00 0.00 0.00 174.94 176.47 3khs s ALA 243 N -0.05 0.82 0.38 9.38 0.00 -1.07 -4.82 121.76 126.41 3khs s ALA 243 Ca 0.22 -0.45 0.11 0.00 0.00 0.00 0.00 51.96 51.84 3khs s ALA 243 Cb -0.15 -3.08 0.88 0.00 0.00 0.00 0.00 23.12 20.77 3khs s ALA 243 CO 0.09 -3.00 1.89 0.66 0.00 0.00 0.00 175.76 175.41 3khs h SER 244 N -2.03 0.57 0.05 0.00 4.64 -1.95 0.24 113.55 115.07 3khs h SER 244 Ca -0.54 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3khs h SER 244 Cb 1.33 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3khs h SER 244 CO 0.55 0.30 0.00 -0.46 -0.87 0.00 0.00 176.83 176.35 3khs n ASN 245 N -4.53 0.00 -2.07 4.97 6.94 -1.26 -4.90 115.26 114.41 3khs n ASN 245 Ca 0.16 -0.68 -0.08 0.00 -0.02 0.00 0.00 54.58 53.96 3khs n ASN 245 Cb 0.46 -0.03 0.04 0.00 -2.36 0.00 0.00 39.78 37.89 3khs n ASN 245 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3khs n GLU 247 N -2.45 0.00 0.00 0.00 1.02 -1.26 -4.04 120.64 113.90 3khs n GLU 247 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3khs n GLU 247 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 3khs n GLU 247 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3khs n ALA 260 N -2.41 0.00 -0.22 0.62 0.00 -1.26 -2.58 120.51 114.66 3khs n ALA 260 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3khs n ALA 260 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 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 1.08 1.51 0.00 0.00 -1.99 -2.63 103.07 101.04 3khs h GLY 261 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3khs h GLY 261 CO 0.00 0.25 -0.29 0.83 0.00 0.00 0.00 176.54 177.32 3khs h GLU 262 N 0.85 0.56 -0.28 4.80 4.39 -1.99 0.21 114.58 123.12 3khs h GLU 262 Ca 0.34 -0.24 -0.19 0.00 0.34 0.00 0.00 59.36 59.62 3khs h GLU 262 Cb 0.24 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3khs h GLU 262 CO -0.12 0.79 -0.56 0.93 -1.16 0.00 0.00 179.01 178.90 3khs h GLU 263 N 0.48 0.85 -0.17 2.33 5.08 -1.96 -1.41 114.58 119.78 3khs h GLU 263 Ca 0.06 -0.55 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 3khs h GLU 263 Cb 0.76 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3khs h GLU 263 CO 0.06 1.18 0.04 0.00 -1.00 0.00 0.00 179.01 179.29 3khs h ALA 264 N 0.71 0.17 -0.43 3.43 0.00 -1.22 -0.72 119.26 121.20 3khs h ALA 264 Ca 0.01 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3khs h ALA 264 Cb 1.16 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3khs h ALA 264 CO 0.12 -0.40 0.09 1.03 0.00 0.00 0.00 179.25 180.09 3khs h SER 265 N 0.11 0.02 0.23 0.00 0.87 -0.79 0.41 113.55 114.40 3khs h SER 265 Ca 0.08 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3khs h SER 265 Cb 0.06 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3khs h SER 265 CO -0.10 0.04 -0.11 0.00 -0.53 0.00 0.00 176.83 176.14 3khs h ALA 266 N 1.33 -0.30 -0.49 6.23 0.00 -0.88 -0.81 119.26 124.33 3khs h ALA 266 Ca 0.21 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3khs h ALA 266 Cb 0.26 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3khs h ALA 266 CO -0.27 -0.64 0.25 0.00 0.00 0.00 0.00 179.25 178.59 3khs h ARG 267 N -0.36 0.48 -0.70 0.00 3.08 -0.81 -1.03 114.38 115.03 3khs h ARG 267 Ca -0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3khs h ARG 267 Cb 0.28 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3khs h ARG 267 CO 0.05 0.32 0.19 1.98 -1.07 0.00 0.00 179.97 181.45 3khs h MET 268 N 0.50 1.11 -0.35 0.04 4.05 -0.87 -1.24 114.93 118.17 3khs h MET 268 Ca 0.21 -0.25 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3khs h MET 268 Cb 0.11 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 3khs h MET 268 CO -0.14 0.96 0.19 1.15 0.23 0.00 0.00 176.91 179.30 3khs h THR 269 N 1.04 1.02 -0.30 -0.77 2.02 -0.62 -0.53 112.91 114.77 3khs h THR 269 Ca 0.22 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3khs h THR 269 Cb 0.34 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3khs h THR 269 CO -0.00 0.07 0.17 0.00 0.37 0.00 0.00 175.52 176.13 3khs h ALA 270 N 1.16 0.39 -0.27 6.16 0.00 -0.98 -1.75 119.26 123.97 3khs h ALA 270 Ca 0.14 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3khs h ALA 270 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3khs h ALA 270 CO -0.08 -0.09 0.10 1.25 0.00 0.00 0.00 179.25 180.44 3khs h LEU 271 N 0.37 0.12 -0.74 0.00 5.85 -0.88 -0.32 115.31 119.71 3khs h LEU 271 Ca 0.11 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3khs h LEU 271 Cb 0.06 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3khs h LEU 271 CO -0.02 0.10 0.39 0.58 -0.34 0.00 0.00 178.44 179.15 3khs h VAL 272 N 0.22 1.23 0.05 1.05 2.07 -1.00 -0.96 116.25 118.92 3khs h VAL 272 Ca 0.12 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3khs h VAL 272 Cb 0.08 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3khs h VAL 272 CO -0.11 0.26 -0.03 0.11 0.02 0.00 0.00 177.57 177.82 3khs h LYS 273 N 1.03 -0.07 -0.63 1.57 1.57 -0.92 -0.37 116.57 118.75 3khs h LYS 273 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3khs h LYS 273 Cb 0.07 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3khs h LYS 273 CO -0.04 0.05 0.41 1.25 -0.57 0.00 0.00 179.45 180.55 3khs h LEU 274 N -0.18 0.72 -0.73 2.94 6.46 -0.89 -0.86 115.31 122.78 3khs h LEU 274 Ca -0.01 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.63 3khs h LEU 274 Cb 0.15 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 3khs h LEU 274 CO 0.01 0.53 -0.08 0.58 -0.62 0.00 0.00 178.44 178.87 3khs h VAL 275 N 0.85 1.26 -0.12 1.05 2.07 -0.83 -2.13 116.25 118.41 3khs h VAL 275 Ca 0.23 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 3khs h VAL 275 Cb -0.08 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3khs h VAL 275 CO -0.05 0.41 -0.32 0.40 0.02 0.00 0.00 177.57 178.04 3khs h ILE 276 N 0.81 1.27 -0.08 4.57 2.04 -0.03 -1.67 117.51 124.42 3khs h ILE 276 Ca 0.14 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 3khs h ILE 276 Cb 0.59 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3khs h ILE 276 CO 0.04 0.38 0.02 -0.08 0.00 0.00 0.00 178.15 178.51 3khs h GLU 277 N 0.20 0.12 0.00 2.37 4.81 -0.65 -1.87 114.58 119.56 3khs h GLU 277 Ca 0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3khs h GLU 277 Cb 0.66 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 3khs h GLU 277 CO 0.05 0.30 -0.08 0.87 -0.73 0.00 0.00 179.01 179.42 3khs h LYS 278 N -0.08 0.00 -0.26 1.92 1.57 -1.12 -2.30 116.57 116.30 3khs h LYS 278 Ca 0.02 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 3khs h LYS 278 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3khs h LYS 278 CO -0.00 0.08 -0.55 0.82 -0.57 0.00 0.00 179.45 179.23 3khs h ILE 279 N 0.00 1.29 -0.08 1.86 2.04 -0.88 -3.10 117.51 118.64 3khs h ILE 279 Ca -0.00 -1.75 0.02 0.00 1.00 0.00 0.00 64.86 64.13 3khs h ILE 279 Cb 0.17 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3khs h ILE 279 CO 0.01 0.56 0.15 -0.09 0.00 0.00 0.00 178.15 178.78 3khs h ARG 280 N 0.61 0.00 -0.02 2.37 2.43 -0.75 -3.51 114.38 115.50 3khs h ARG 280 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3khs h ARG 280 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3khs h ARG 280 CO 0.12 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.99