#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1klf s VAL 2 N 0.00 4.10 0.02 1.61 1.01 -1.26 0.10 120.40 125.97 1klf s VAL 2 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1klf s VAL 2 Cb 0.00 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1klf s VAL 2 CO 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 175.10 175.43 1klf s ALA 3 N 0.63 1.04 0.41 5.51 0.00 0.30 -4.98 121.76 124.67 1klf s ALA 3 Ca -0.01 -0.68 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 1klf s ALA 3 Cb -0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 23.12 22.69 1klf s ALA 3 CO 0.02 0.21 0.88 -0.51 0.00 0.00 0.00 175.76 176.36 1klf s LEU 4 N -0.81 3.91 0.00 0.00 1.43 -1.26 -1.51 118.68 120.44 1klf s LEU 4 Ca 0.02 1.51 0.20 0.00 -1.03 0.00 0.00 54.13 54.82 1klf s LEU 4 Cb -0.07 -4.36 0.92 0.00 0.03 0.00 0.00 46.19 42.71 1klf s LEU 4 CO 0.01 -0.36 1.62 0.61 0.23 0.00 0.00 176.35 178.46 1klf n GLY 5 N -0.78 -0.32 3.26 -3.19 0.00 0.55 -4.87 105.19 99.85 1klf n GLY 5 Ca 0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1klf n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1klf s ALA 6 N -1.89 -0.63 -1.36 4.61 0.00 -1.26 -4.90 121.76 116.33 1klf s ALA 6 Ca 0.30 -0.25 0.17 0.00 0.00 0.00 0.00 51.96 52.18 1klf s ALA 6 Cb 0.15 0.55 0.50 0.00 0.00 0.00 0.00 23.12 24.33 1klf s ALA 6 CO 0.24 -0.55 1.42 0.25 0.00 0.00 0.00 175.76 177.12 1klf n THR 7 N -0.03 1.14 -3.61 0.00 -2.24 -1.26 -4.98 114.28 103.30 1klf n THR 7 Ca -0.16 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 1klf n THR 7 Cb 0.63 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 1klf n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1klf s ARG 8 N -1.16 0.36 -0.05 -0.78 1.70 -1.26 -4.32 118.95 113.44 1klf s ARG 8 Ca 0.38 -0.19 -0.03 0.00 -0.47 0.00 0.00 55.73 55.42 1klf s ARG 8 Cb 0.21 0.13 0.02 0.00 -0.57 0.00 0.00 34.95 34.74 1klf s ARG 8 CO 0.24 -0.16 0.12 0.08 -1.08 0.00 0.00 175.30 174.49 1klf s VAL 9 N -2.40 -0.02 -0.27 4.99 1.01 -0.52 -4.99 120.40 118.19 1klf s VAL 9 Ca 0.13 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 1klf s VAL 9 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 1klf s VAL 9 CO -0.04 0.04 0.07 -0.63 0.00 0.00 0.00 175.10 174.54 1klf s ILE 10 N 0.59 4.15 -0.42 2.22 -1.09 -1.26 -0.87 121.20 124.51 1klf s ILE 10 Ca -0.04 -0.39 -0.14 0.00 -2.23 0.00 0.00 60.65 57.85 1klf s ILE 10 Cb -0.06 -3.02 0.05 0.00 -1.58 0.00 0.00 42.46 37.85 1klf s ILE 10 CO -0.03 0.23 0.31 -0.47 -1.23 0.00 0.00 174.94 173.76 1klf s TYR 11 N 1.57 3.25 -0.13 3.97 5.04 0.23 -4.94 117.35 126.35 1klf s TYR 11 Ca 0.05 -0.91 -0.29 0.00 -2.44 0.00 0.00 57.07 53.48 1klf s TYR 11 Cb -0.16 -2.80 -0.03 0.00 0.35 0.00 0.00 41.96 39.32 1klf s TYR 11 CO 0.03 -0.71 1.45 -2.14 -1.34 0.00 0.00 175.55 172.84 1klf s PRO 12 N 1.61 4.17 0.07 4.97 0.02 -1.26 -0.40 135.00 144.18 1klf s PRO 12 Ca 0.04 1.87 -0.35 0.00 0.02 0.00 0.00 61.00 62.58 1klf s PRO 12 Cb -0.21 -3.88 -0.14 0.00 0.02 0.00 0.00 34.50 30.29 1klf s PRO 12 CO 0.07 -0.82 1.63 0.00 -0.33 0.00 0.00 177.00 177.56 1klf n ALA 13 N 6.98 0.85 0.00 -1.55 0.00 -0.60 -1.60 120.51 124.60 1klf n ALA 13 Ca 0.16 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1klf n ALA 13 Cb 0.44 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1klf n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1klf n GLY 14 N 3.58 3.18 3.55 0.00 0.00 -1.26 -4.29 105.19 109.95 1klf n GLY 14 Ca 0.19 -0.99 -0.48 0.00 0.00 0.00 0.00 46.02 44.75 1klf n GLY 14 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1klf n GLN 15 N 0.00 1.01 0.18 1.61 1.13 -0.63 -4.83 117.38 115.85 1klf n GLN 15 Ca 0.00 0.36 0.03 0.00 -1.94 0.00 0.00 57.00 55.45 1klf n GLN 15 Cb 0.00 -1.75 0.32 0.00 0.11 0.00 0.00 30.24 28.92 1klf n GLN 15 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1klf h LYS 16 N 2.59 0.00 -1.37 -1.09 3.64 -1.95 -3.44 116.57 114.95 1klf h LYS 16 Ca -0.40 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.12 1klf h LYS 16 Cb 1.36 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.92 1klf h LYS 16 CO 0.65 0.43 0.69 1.14 -2.27 0.00 0.00 179.45 180.09 1klf s GLN 17 N -3.80 0.38 0.15 1.90 -2.07 -1.26 -3.99 119.66 110.96 1klf s GLN 17 Ca -0.01 0.15 0.10 0.00 -1.82 0.00 0.00 55.36 53.78 1klf s GLN 17 Cb 0.13 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 1klf s GLN 17 CO 0.71 -0.11 -0.23 0.08 -1.32 0.00 0.00 175.29 174.43 1klf s VAL 18 N -0.85 2.50 0.10 3.63 1.01 -0.52 -4.92 120.40 121.34 1klf s VAL 18 Ca 0.03 -1.76 0.09 0.00 0.00 0.00 0.00 61.98 60.35 1klf s VAL 18 Cb -0.01 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1klf s VAL 18 CO -0.04 0.03 -0.25 0.00 0.00 0.00 0.00 175.10 174.84 1klf s GLN 19 N -2.29 1.41 0.05 2.72 -2.07 -1.26 0.17 119.66 118.39 1klf s GLN 19 Ca 0.17 -1.20 0.06 0.00 -1.82 0.00 0.00 55.36 52.57 1klf s GLN 19 Cb -0.10 -1.74 -0.02 0.00 -1.09 0.00 0.00 33.01 30.06 1klf s GLN 19 CO 0.09 0.42 -0.17 -1.17 -1.32 0.00 0.00 175.29 173.14 1klf s LEU 20 N -1.74 2.19 0.03 2.60 2.96 0.16 -4.97 118.68 119.92 1klf s LEU 20 Ca 0.11 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 1klf s LEU 20 Cb -0.10 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 1klf s LEU 20 CO 0.04 0.07 0.24 0.00 -1.32 0.00 0.00 176.35 175.38 1klf s ALA 21 N -0.91 3.91 -0.01 5.97 0.00 -1.26 0.44 121.76 129.90 1klf s ALA 21 Ca 0.04 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1klf s ALA 21 Cb -0.09 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1klf s ALA 21 CO 0.02 0.72 -0.07 0.08 0.00 0.00 0.00 175.76 176.51 1klf s VAL 22 N -1.40 0.58 -0.01 0.00 1.01 -0.83 -0.33 120.40 119.42 1klf s VAL 22 Ca 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1klf s VAL 22 Cb -0.13 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1klf s VAL 22 CO 0.20 0.18 -0.01 0.28 0.00 0.00 0.00 175.10 175.75 1klf s THR 23 N 0.05 0.12 -0.33 3.92 -1.32 -0.57 -1.49 115.64 116.03 1klf s THR 23 Ca -0.00 -0.02 -0.07 0.00 -1.21 0.00 0.00 61.69 60.39 1klf s THR 23 Cb -0.05 -0.14 0.03 0.00 -1.51 0.00 0.00 72.50 70.82 1klf s THR 23 CO -0.00 0.06 0.10 0.21 -2.21 0.00 0.00 174.62 172.78 1klf s ASN 24 N 0.25 5.27 -0.02 8.08 2.47 -0.85 -0.54 114.94 129.60 1klf s ASN 24 Ca -0.02 -0.97 -0.22 0.00 0.42 0.00 0.00 52.86 52.07 1klf s ASN 24 Cb -0.04 -1.88 -0.15 0.00 -1.45 0.00 0.00 41.25 37.72 1klf s ASN 24 CO -0.01 -0.28 0.99 0.78 -3.72 0.00 0.00 177.10 174.87 1klf h ASN 25 N 8.24 -0.30 0.00 -4.21 4.21 -0.65 -2.90 115.58 119.97 1klf h ASN 25 Ca -0.26 -0.23 -0.45 0.00 1.21 0.00 0.00 56.30 56.57 1klf h ASN 25 Cb 1.10 0.08 -0.10 0.00 -1.12 0.00 0.00 38.32 38.28 1klf h ASN 25 CO 0.61 0.16 1.80 0.47 -1.29 0.00 0.00 177.43 179.18 1klf n ASP 26 N -5.04 -0.22 0.17 5.81 10.43 -1.25 -4.30 116.55 122.14 1klf n ASP 26 Ca -0.08 -0.03 0.15 0.00 2.57 0.00 0.00 54.79 57.39 1klf n ASP 26 Cb 0.26 -0.79 0.49 0.00 1.84 0.00 0.00 41.12 42.92 1klf n ASP 26 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 1klf h GLU 27 N 11.46 0.00 -1.59 -1.24 5.08 -1.89 -3.25 114.58 123.15 1klf h GLU 27 Ca -0.02 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1klf h GLU 27 Cb 1.23 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.21 1klf h GLU 27 CO 1.43 0.00 -0.51 0.54 -1.00 0.00 0.00 179.01 179.47 1klf s ASN 28 N -3.97 0.06 0.00 1.42 6.03 -1.26 -4.05 114.94 113.17 1klf s ASN 28 Ca -0.02 -0.31 0.00 0.00 -1.03 0.00 0.00 52.86 51.49 1klf s ASN 28 Cb 0.09 1.25 0.00 0.00 -3.03 0.00 0.00 41.25 39.56 1klf s ASN 28 CO 0.29 -0.34 0.00 -1.54 -2.03 0.00 0.00 177.10 173.48 1klf n SER 29 N 5.35 0.00 -4.86 3.54 3.41 -1.25 -4.98 113.62 114.82 1klf n SER 29 Ca 0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.32 1klf n SER 29 Cb 0.50 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1klf n SER 29 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1klf s THR 30 N 0.00 4.39 0.02 6.66 2.01 -1.26 -3.75 115.64 123.71 1klf s THR 30 Ca 0.00 0.78 -0.05 0.00 0.31 0.00 0.00 61.69 62.72 1klf s THR 30 Cb 0.00 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1klf s THR 30 CO 0.00 -1.02 0.09 -0.31 -0.69 0.00 0.00 174.62 172.70 1klf s TYR 31 N -3.18 0.15 -0.23 4.92 1.51 -0.67 -4.59 117.35 115.25 1klf s TYR 31 Ca 0.56 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 56.20 1klf s TYR 31 Cb -0.12 -0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 41.60 1klf s TYR 31 CO 0.54 -0.31 0.03 -0.51 -1.11 0.00 0.00 175.55 174.19 1klf s LEU 32 N -1.72 3.27 -0.21 -1.29 1.43 0.32 -1.26 118.68 119.21 1klf s LEU 32 Ca -0.11 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 1klf s LEU 32 Cb -0.05 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1klf s LEU 32 CO -0.01 -0.01 0.37 -0.63 0.23 0.00 0.00 176.35 176.30 1klf s ILE 33 N 1.43 5.22 -0.15 -0.59 -1.09 0.24 -0.03 121.20 126.23 1klf s ILE 33 Ca 0.05 0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 59.11 1klf s ILE 33 Cb -0.15 -3.70 0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1klf s ILE 33 CO 0.01 0.26 -0.05 -1.58 -1.23 0.00 0.00 174.94 172.35 1klf s GLN 34 N 1.32 1.42 0.17 2.79 0.74 -0.88 -1.81 119.66 123.41 1klf s GLN 34 Ca 0.17 -0.43 0.11 0.00 0.05 0.00 0.00 55.36 55.26 1klf s GLN 34 Cb -0.15 -1.88 -0.04 0.00 1.10 0.00 0.00 33.01 32.05 1klf s GLN 34 CO 0.08 -0.39 -0.23 -1.12 -0.55 0.00 0.00 175.29 173.07 1klf s SER 35 N 1.67 3.49 0.27 6.67 0.01 -1.21 -1.13 113.70 123.47 1klf s SER 35 Ca 0.02 -0.80 -0.21 0.00 1.31 0.00 0.00 55.95 56.28 1klf s SER 35 Cb -0.15 -0.30 0.04 0.00 0.21 0.00 0.00 66.02 65.83 1klf s SER 35 CO -0.08 0.14 0.80 -1.66 0.41 0.00 0.00 173.24 172.85 1klf s TRP 36 N -1.47 -0.10 -0.07 2.43 -2.14 -0.41 -4.72 118.94 112.47 1klf s TRP 36 Ca 0.19 -0.38 -0.00 0.00 2.66 0.00 0.00 56.10 58.57 1klf s TRP 36 Cb -0.09 0.73 0.02 0.00 -3.10 0.00 0.00 33.47 31.03 1klf s TRP 36 CO 0.09 -1.22 -0.04 0.08 -2.66 0.00 0.00 176.95 173.21 1klf s VAL 37 N -3.35 0.58 0.21 -0.66 1.01 -1.26 -0.62 120.40 116.31 1klf s VAL 37 Ca 0.13 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1klf s VAL 37 Cb -0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1klf s VAL 37 CO 0.07 0.27 0.31 -1.61 0.00 0.00 0.00 175.10 174.13 1klf s GLU 38 N 1.43 3.36 0.46 2.72 2.02 0.40 -4.40 118.70 124.69 1klf s GLU 38 Ca -0.03 -0.75 -0.03 0.00 0.02 0.00 0.00 54.97 54.18 1klf s GLU 38 Cb -0.13 -2.87 0.10 0.00 0.10 0.00 0.00 34.13 31.33 1klf s GLU 38 CO -0.03 0.46 0.64 0.27 0.02 0.00 0.00 175.26 176.61 1klf n ASN 39 N -1.06 0.52 -0.29 -0.19 0.23 -0.40 -0.53 115.26 113.54 1klf n ASN 39 Ca -0.08 -1.52 0.13 0.00 -0.53 0.00 0.00 54.58 52.58 1klf n ASN 39 Cb 0.56 -0.44 0.37 0.00 -2.08 0.00 0.00 39.78 38.19 1klf n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1klf h ALA 40 N -1.02 1.82 0.00 -2.53 0.00 -1.84 0.18 119.26 115.88 1klf h ALA 40 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1klf h ALA 40 Cb 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1klf h ALA 40 CO 0.19 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 1klf n ASP 41 N -4.59 0.00 0.00 0.00 8.00 -1.26 -4.87 116.55 113.83 1klf n ASP 41 Ca 0.19 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1klf n ASP 41 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1klf n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1klf n GLY 42 N 0.90 0.78 3.84 0.44 0.00 0.62 -5.04 105.19 106.72 1klf n GLY 42 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1klf n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1klf s VAL 43 N -3.01 4.97 -1.29 1.61 -7.23 -1.26 -4.72 120.40 109.48 1klf s VAL 43 Ca 0.00 0.86 -0.18 0.00 -1.81 0.00 0.00 61.98 60.85 1klf s VAL 43 Cb 0.00 -3.74 0.04 0.00 0.56 0.00 0.00 36.38 33.24 1klf s VAL 43 CO 0.00 0.51 1.80 0.29 -0.31 0.00 0.00 175.10 177.39 1klf n LYS 44 N 1.59 2.93 -1.52 4.82 4.01 -1.26 -1.28 118.16 127.45 1klf n LYS 44 Ca -0.12 -3.10 -0.17 0.00 -0.51 0.00 0.00 58.31 54.41 1klf n LYS 44 Cb 0.52 -3.51 0.10 0.00 -0.51 0.00 0.00 35.03 31.63 1klf n LYS 44 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1klf n ASP 45 N 9.08 0.45 -1.48 4.39 5.68 -1.26 -4.98 116.55 128.42 1klf n ASP 45 Ca 0.49 -1.51 -0.00 0.00 -0.50 0.00 0.00 54.79 53.26 1klf n ASP 45 Cb 0.46 -0.53 0.28 0.00 -1.14 0.00 0.00 41.12 40.18 1klf n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1klf n GLY 46 N -0.21 4.00 0.40 6.12 0.00 -1.26 -4.60 105.19 109.63 1klf n GLY 46 Ca 0.11 -1.06 0.21 0.00 0.00 0.00 0.00 46.02 45.28 1klf n GLY 46 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1klf h ARG 47 N 2.12 0.41 -4.61 1.61 -0.00 -1.92 -3.41 114.38 108.59 1klf h ARG 47 Ca 0.16 -0.02 -0.33 0.00 -0.50 0.00 0.00 59.98 59.29 1klf h ARG 47 Cb 1.92 -0.09 -0.25 0.00 0.00 0.00 0.00 29.97 31.54 1klf h ARG 47 CO 0.50 0.27 -0.76 -0.06 0.00 0.00 0.00 179.97 179.93 1klf s PHE 48 N -5.51 0.70 -0.02 3.04 0.40 -1.26 -0.72 117.98 114.60 1klf s PHE 48 Ca -0.09 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1klf s PHE 48 Cb 0.25 -0.43 -0.01 0.00 0.51 0.00 0.00 43.02 43.34 1klf s PHE 48 CO 0.80 -0.03 -0.14 0.42 0.70 0.00 0.00 175.22 176.96 1klf s ILE 49 N -0.72 1.17 -0.02 0.64 1.01 0.19 -4.49 121.20 118.98 1klf s ILE 49 Ca -0.02 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1klf s ILE 49 Cb -0.06 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1klf s ILE 49 CO 0.00 0.34 -0.08 -0.69 0.00 0.00 0.00 174.94 174.51 1klf s VAL 50 N -0.17 3.57 0.02 2.92 1.01 -1.26 0.11 120.40 126.59 1klf s VAL 50 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1klf s VAL 50 Cb -0.07 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1klf s VAL 50 CO 0.00 0.46 -0.06 0.42 0.00 0.00 0.00 175.10 175.92 1klf s THR 51 N -0.92 0.42 0.26 3.92 -4.23 -0.53 -3.12 115.64 111.44 1klf s THR 51 Ca 0.15 -0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 59.67 1klf s THR 51 Cb -0.11 -0.45 -0.09 0.00 1.34 0.00 0.00 72.50 73.19 1klf s THR 51 CO 0.05 -0.20 1.08 -2.16 -0.54 0.00 0.00 174.62 172.86 1klf s PRO 52 N -0.97 4.66 0.66 3.99 0.04 -1.26 -1.43 135.00 140.69 1klf s PRO 52 Ca -0.06 1.76 0.41 0.00 0.04 0.00 0.00 61.00 63.15 1klf s PRO 52 Cb -0.07 -3.21 2.26 0.00 0.04 0.00 0.00 34.50 33.52 1klf s PRO 52 CO 0.00 0.22 2.30 -1.00 0.04 0.00 0.00 177.00 178.56 1klf h PRO 53 N 4.08 0.00 -2.01 0.56 0.13 -1.88 -3.42 132.00 129.46 1klf h PRO 53 Ca -0.46 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1klf h PRO 53 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1klf h PRO 53 CO 0.68 0.00 -0.09 -1.17 -0.23 0.00 0.00 178.00 177.19 1klf s LEU 54 N -6.31 -1.08 0.22 1.56 2.96 -1.25 -3.34 118.68 111.44 1klf s LEU 54 Ca -0.05 1.55 -0.22 0.00 -0.22 0.00 0.00 54.13 55.19 1klf s LEU 54 Cb 0.13 2.31 0.04 0.00 0.50 0.00 0.00 46.19 49.17 1klf s LEU 54 CO 0.41 -0.23 0.65 0.72 -1.32 0.00 0.00 176.35 176.59 1klf s PHE 55 N 2.51 -0.35 0.01 5.38 -0.12 -0.75 -4.95 117.98 119.72 1klf s PHE 55 Ca -0.07 0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 56.81 1klf s PHE 55 Cb -0.10 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1klf s PHE 55 CO -0.19 -1.04 0.13 0.00 -0.05 0.00 0.00 175.22 174.08 1klf s ALA 56 N -3.84 3.77 -0.25 1.99 0.00 -1.26 0.82 121.76 122.99 1klf s ALA 56 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1klf s ALA 56 Cb -0.03 -1.70 0.07 0.00 0.00 0.00 0.00 23.12 21.45 1klf s ALA 56 CO -0.03 0.73 -0.02 -1.64 0.00 0.00 0.00 175.76 174.80 1klf s MET 57 N -1.96 1.42 -0.29 0.00 -1.94 -0.39 -4.96 119.30 111.18 1klf s MET 57 Ca 0.26 -1.01 -0.14 0.00 -1.71 0.00 0.00 55.69 53.10 1klf s MET 57 Cb -0.12 -2.53 -0.04 0.00 2.01 0.00 0.00 34.83 34.15 1klf s MET 57 CO 0.18 -0.67 0.32 0.21 -0.01 0.00 0.00 175.02 175.05 1klf s LYS 58 N 1.43 3.92 2.00 2.03 2.20 -1.26 -1.67 119.74 128.38 1klf s LYS 58 Ca -0.03 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1klf s LYS 58 Cb -0.19 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 1klf s LYS 58 CO -0.08 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 1klf n GLY 59 N 4.84 -0.88 3.58 5.54 0.00 -1.25 -4.42 105.19 112.61 1klf n GLY 59 Ca -0.10 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1klf n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1klf n LYS 60 N -1.95 1.77 -4.17 1.61 5.02 -1.23 -4.75 118.16 114.46 1klf n LYS 60 Ca 0.00 0.43 -0.13 0.00 -2.02 0.00 0.00 58.31 56.59 1klf n LYS 60 Cb 0.00 -3.24 -0.09 0.00 -0.02 0.00 0.00 35.03 31.69 1klf n LYS 60 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1klf s LYS 61 N 6.69 1.39 -0.10 1.97 2.20 -1.10 -5.00 119.74 125.79 1klf s LYS 61 Ca 1.01 -1.63 -0.06 0.00 -0.36 0.00 0.00 55.97 54.93 1klf s LYS 61 Cb -0.33 0.32 0.04 0.00 -1.51 0.00 0.00 37.83 36.35 1klf s LYS 61 CO 0.34 -0.50 0.24 -2.00 -0.36 0.00 0.00 175.35 173.08 1klf s GLU 62 N -3.96 0.22 0.26 4.03 -6.30 -1.26 -2.00 118.70 109.69 1klf s GLU 62 Ca 0.36 0.48 0.00 0.00 -2.50 0.00 0.00 54.97 53.32 1klf s GLU 62 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 34.13 34.08 1klf s GLU 62 CO 0.14 -0.14 0.24 -0.80 0.02 0.00 0.00 175.26 174.73 1klf s ASN 63 N 1.02 0.68 -0.10 -1.70 -0.87 -0.56 -5.02 114.94 108.40 1klf s ASN 63 Ca -0.07 -1.48 0.04 0.00 -1.57 0.00 0.00 52.86 49.78 1klf s ASN 63 Cb -0.09 0.48 -0.00 0.00 -0.02 0.00 0.00 41.25 41.62 1klf s ASN 63 CO -0.07 -0.98 -0.23 -0.89 -2.57 0.00 0.00 177.10 172.36 1klf s THR 64 N -3.81 2.17 -0.07 1.60 2.01 -1.26 -1.96 115.64 114.31 1klf s THR 64 Ca 0.37 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 1klf s THR 64 Cb 0.04 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 1klf s THR 64 CO 0.17 0.56 0.29 -0.76 -0.69 0.00 0.00 174.62 174.19 1klf s LEU 65 N 0.27 4.41 -0.15 4.42 1.43 0.17 -4.65 118.68 124.57 1klf s LEU 65 Ca -0.16 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1klf s LEU 65 Cb -0.17 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.70 1klf s LEU 65 CO 0.08 0.32 -0.20 -0.13 0.23 0.00 0.00 176.35 176.65 1klf s ARG 66 N -0.80 3.05 -0.27 1.70 0.52 -0.51 0.39 118.95 123.03 1klf s ARG 66 Ca 0.19 -0.83 -0.15 0.00 -0.52 0.00 0.00 55.73 54.43 1klf s ARG 66 Cb -0.14 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 1klf s ARG 66 CO 0.08 -0.05 0.37 0.42 0.02 0.00 0.00 175.30 176.14 1klf s ILE 67 N 0.92 5.18 -0.13 1.52 1.09 0.46 -1.45 121.20 128.78 1klf s ILE 67 Ca -0.04 0.54 -0.05 0.00 -1.10 0.00 0.00 60.65 60.00 1klf s ILE 67 Cb -0.15 -3.70 -0.04 0.00 -1.06 0.00 0.00 42.46 37.51 1klf s ILE 67 CO -0.04 0.15 0.06 -0.76 -0.10 0.00 0.00 174.94 174.25 1klf s LEU 68 N 2.06 3.85 -0.43 2.97 1.43 0.30 -1.44 118.68 127.42 1klf s LEU 68 Ca 0.15 0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 1klf s LEU 68 Cb -0.16 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1klf s LEU 68 CO 0.10 0.32 1.25 -0.62 0.23 0.00 0.00 176.35 177.63 1klf s ASP 69 N -0.49 6.54 -0.14 2.29 3.68 -1.26 -0.64 116.67 126.66 1klf s ASP 69 Ca 0.10 0.69 0.19 0.00 2.13 0.00 0.00 52.55 55.66 1klf s ASP 69 Cb -0.12 -2.54 -0.27 0.00 -1.45 0.00 0.00 42.92 38.54 1klf s ASP 69 CO 0.02 -1.29 0.24 0.00 0.13 0.00 0.00 175.17 174.27 1klf n ALA 70 N 8.14 1.87 -1.80 3.66 0.00 0.10 -4.85 120.51 127.63 1klf n ALA 70 Ca 0.14 -1.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.13 1klf n ALA 70 Cb 0.48 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 1klf n ALA 70 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1klf s THR 71 N -2.79 3.19 -0.32 0.00 -1.32 -0.35 -4.84 115.64 109.21 1klf s THR 71 Ca -0.09 0.12 -0.24 0.00 -1.21 0.00 0.00 61.69 60.28 1klf s THR 71 Cb 0.08 -3.45 -0.25 0.00 -1.51 0.00 0.00 72.50 67.37 1klf s THR 71 CO 0.85 -0.42 1.69 0.59 -2.21 0.00 0.00 174.62 175.12 1klf n ASN 72 N 13.93 1.66 -3.79 8.08 5.03 -1.26 -4.17 115.26 134.74 1klf n ASN 72 Ca 0.28 -2.52 -0.28 0.00 0.87 0.00 0.00 54.58 52.93 1klf n ASN 72 Cb 0.53 -0.75 -0.04 0.00 -1.02 0.00 0.00 39.78 38.50 1klf n ASN 72 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1klf n ASN 73 N 7.89 -2.36 -1.08 6.41 4.13 -1.26 -4.76 115.26 124.23 1klf n ASN 73 Ca 0.44 -0.65 0.07 0.00 1.68 0.00 0.00 54.58 56.13 1klf n ASN 73 Cb 0.37 -2.02 0.24 0.00 -1.54 0.00 0.00 39.78 36.83 1klf n ASN 73 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1klf n GLN 74 N -3.71 2.59 -4.09 3.52 6.02 -1.26 -4.91 117.38 115.55 1klf n GLN 74 Ca 0.06 -1.91 -0.22 0.00 -0.01 0.00 0.00 57.00 54.91 1klf n GLN 74 Cb 0.49 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 30.14 1klf n GLN 74 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1klf s LEU 75 N -1.24 3.92 0.32 1.08 1.43 -1.26 -5.07 118.68 117.85 1klf s LEU 75 Ca 0.35 -0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.98 1klf s LEU 75 Cb 0.21 -2.45 -0.13 0.00 0.03 0.00 0.00 46.19 43.85 1klf s LEU 75 CO 0.20 -0.04 1.27 -2.65 0.23 0.00 0.00 176.35 175.36 1klf n PRO 76 N -1.21 2.02 -0.05 1.29 -0.02 -1.26 -4.91 135.00 130.86 1klf n PRO 76 Ca -0.08 0.71 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 1klf n PRO 76 Cb 0.58 -2.28 0.11 0.00 -0.02 0.00 0.00 33.50 31.89 1klf n PRO 76 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1klf n GLN 77 N 0.78 1.86 -0.00 -0.52 1.13 -1.26 -4.39 117.38 114.97 1klf n GLN 77 Ca 0.06 -1.78 0.10 0.00 -1.94 0.00 0.00 57.00 53.45 1klf n GLN 77 Cb 0.35 -1.39 -0.14 0.00 0.11 0.00 0.00 30.24 29.18 1klf n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1klf n ASP 78 N 1.12 0.57 -4.10 1.08 3.85 -1.26 -4.76 116.55 113.05 1klf n ASP 78 Ca 0.13 -0.56 -0.11 0.00 -0.71 0.00 0.00 54.79 53.54 1klf n ASP 78 Cb 0.50 1.41 -0.08 0.00 -1.35 0.00 0.00 41.12 41.60 1klf n ASP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1klf s ARG 79 N -3.22 1.34 0.54 0.11 1.70 -1.26 -4.75 118.95 113.41 1klf s ARG 79 Ca 0.01 -1.44 -0.16 0.00 -0.47 0.00 0.00 55.73 53.68 1klf s ARG 79 Cb 0.15 0.36 -0.07 0.00 -0.57 0.00 0.00 34.95 34.83 1klf s ARG 79 CO 0.88 -0.50 1.00 -1.21 -1.08 0.00 0.00 175.30 174.40 1klf s GLU 80 N -4.09 3.81 -0.08 3.89 2.02 -0.69 -4.39 118.70 119.18 1klf s GLU 80 Ca 0.30 0.97 0.03 0.00 0.02 0.00 0.00 54.97 56.29 1klf s GLU 80 Cb 0.03 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 32.14 1klf s GLU 80 CO 0.10 -0.39 -0.18 -1.12 0.02 0.00 0.00 175.26 173.69 1klf s SER 81 N -3.16 3.63 0.02 -0.19 0.01 -0.82 -4.88 113.70 108.31 1klf s SER 81 Ca 0.59 -0.37 -0.26 0.00 1.31 0.00 0.00 55.95 57.22 1klf s SER 81 Cb -0.11 -1.14 -0.05 0.00 0.21 0.00 0.00 66.02 64.93 1klf s SER 81 CO 0.35 0.24 0.82 -0.22 0.41 0.00 0.00 173.24 174.84 1klf s LEU 82 N -0.10 4.41 0.14 2.44 2.96 -1.26 -2.07 118.68 125.20 1klf s LEU 82 Ca -0.03 1.48 -0.00 0.00 -0.22 0.00 0.00 54.13 55.36 1klf s LEU 82 Cb -0.14 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 1klf s LEU 82 CO 0.04 -0.08 0.03 -0.36 -1.32 0.00 0.00 176.35 174.67 1klf s PHE 83 N 0.34 0.93 -0.11 5.38 0.40 -0.39 -2.61 117.98 121.93 1klf s PHE 83 Ca 0.42 -1.16 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 1klf s PHE 83 Cb -0.20 -0.53 0.02 0.00 0.51 0.00 0.00 43.02 42.81 1klf s PHE 83 CO 0.24 -0.42 -0.13 -1.58 0.70 0.00 0.00 175.22 174.03 1klf s TRP 84 N -3.93 1.81 -0.17 0.36 0.52 0.31 -0.87 118.94 116.96 1klf s TRP 84 Ca 0.23 -0.85 -0.16 0.00 0.02 0.00 0.00 56.10 55.34 1klf s TRP 84 Cb 0.07 -1.34 -0.04 0.00 -1.15 0.00 0.00 33.47 31.01 1klf s TRP 84 CO 0.01 -0.47 0.38 1.41 0.02 0.00 0.00 176.95 178.31 1klf s MET 85 N 1.11 4.23 -0.06 4.98 -2.45 1.00 -0.45 119.30 127.66 1klf s MET 85 Ca -0.05 0.21 0.04 0.00 -1.25 0.00 0.00 55.69 54.64 1klf s MET 85 Cb -0.14 -3.48 0.00 0.00 1.25 0.00 0.00 34.83 32.46 1klf s MET 85 CO -0.03 0.09 -0.18 -0.80 1.05 0.00 0.00 175.02 175.15 1klf s ASN 86 N 0.78 2.32 -0.18 1.11 -0.87 0.21 0.02 114.94 118.33 1klf s ASN 86 Ca 0.19 -0.39 -0.01 0.00 -1.57 0.00 0.00 52.86 51.08 1klf s ASN 86 Cb -0.14 -0.84 0.05 0.00 -0.02 0.00 0.00 41.25 40.30 1klf s ASN 86 CO 0.07 0.13 -0.01 -0.69 -2.57 0.00 0.00 177.10 174.03 1klf s VAL 87 N 0.24 0.84 -0.14 1.60 1.01 0.24 -1.28 120.40 122.91 1klf s VAL 87 Ca -0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1klf s VAL 87 Cb -0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1klf s VAL 87 CO 0.04 -0.06 0.14 -0.75 0.00 0.00 0.00 175.10 174.48 1klf s LYS 88 N 1.73 3.63 -0.40 2.72 2.20 -0.28 -0.31 119.74 129.03 1klf s LYS 88 Ca -0.01 -0.14 -0.07 0.00 -0.36 0.00 0.00 55.97 55.40 1klf s LYS 88 Cb -0.16 -3.25 0.08 0.00 -1.51 0.00 0.00 37.83 32.99 1klf s LYS 88 CO -0.07 0.66 0.21 0.00 -0.36 0.00 0.00 175.35 175.79 1klf s ALA 89 N -0.69 3.20 -0.26 3.13 0.00 0.43 -2.07 121.76 125.49 1klf s ALA 89 Ca 0.14 -2.21 -0.21 0.00 0.00 0.00 0.00 51.96 49.67 1klf s ALA 89 Cb -0.12 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 1klf s ALA 89 CO 0.03 -1.65 0.68 0.42 0.00 0.00 0.00 175.76 175.24 1klf s ILE 90 N 1.33 4.94 0.00 0.00 1.01 0.95 -3.75 121.20 125.67 1klf s ILE 90 Ca 0.03 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.85 1klf s ILE 90 Cb -0.23 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1klf s ILE 90 CO -0.00 -0.04 0.00 -0.81 0.00 0.00 0.00 174.94 174.09 1klf n PRO 91 N 5.83 2.57 -3.99 2.79 -0.04 -1.26 -0.53 135.00 140.37 1klf n PRO 91 Ca 0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 1klf n PRO 91 Cb 0.49 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.83 1klf n PRO 91 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1klf s SER 92 N -1.33 0.30 -0.09 3.54 1.04 -1.26 -4.62 113.70 111.28 1klf s SER 92 Ca 0.00 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.65 1klf s SER 92 Cb 0.00 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 1klf s SER 92 CO 0.00 -0.28 1.23 -0.32 0.98 0.00 0.00 173.24 174.86 1klf s MET 93 N -1.41 4.31 -0.12 4.02 1.75 -1.26 -4.98 119.30 121.60 1klf s MET 93 Ca -0.15 1.68 -0.29 0.00 -1.25 0.00 0.00 55.69 55.68 1klf s MET 93 Cb -0.10 -3.63 -0.03 0.00 2.84 0.00 0.00 34.83 33.91 1klf s MET 93 CO -0.01 -0.55 1.35 -0.51 -0.65 0.00 0.00 175.02 174.66 1klf s ASP 94 N 1.68 6.89 0.00 1.11 -0.00 -1.26 -4.81 116.67 120.27 1klf s ASP 94 Ca 0.56 1.86 0.24 0.00 -0.00 0.00 0.00 52.55 55.20 1klf s ASP 94 Cb -0.24 -2.54 1.41 0.00 -0.00 0.00 0.00 42.92 41.55 1klf s ASP 94 CO 0.20 -0.78 1.87 0.29 -0.00 0.00 0.00 175.17 176.75 1klf n LYS 95 N 6.48 0.95 0.01 8.23 4.01 -1.26 -3.11 118.16 133.46 1klf n LYS 95 Ca 0.14 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.80 1klf n LYS 95 Cb 0.44 -1.39 -0.14 0.00 -0.51 0.00 0.00 35.03 33.44 1klf n LYS 95 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1klf h SER 96 N 0.00 0.21 -0.44 4.39 4.64 -2.02 -3.36 113.55 116.96 1klf h SER 96 Ca 0.00 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1klf h SER 96 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1klf h SER 96 CO 0.00 1.36 0.00 0.29 -0.87 0.00 0.00 176.83 177.61 1klf n LYS 97 N -3.27 3.38 -0.29 4.77 4.76 -1.18 -4.74 118.16 121.59 1klf n LYS 97 Ca -0.21 -2.71 0.11 0.00 -2.87 0.00 0.00 58.31 52.64 1klf n LYS 97 Cb 1.04 -1.77 0.27 0.00 -1.84 0.00 0.00 35.03 32.73 1klf n LYS 97 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1klf h LEU 98 N 2.83 0.05 -3.73 -0.35 7.12 -1.71 -0.06 115.31 119.47 1klf h LEU 98 Ca 0.00 0.18 -0.43 0.00 0.13 0.00 0.00 57.88 57.76 1klf h LEU 98 Cb 1.34 0.23 -0.26 0.00 -0.53 0.00 0.00 40.66 41.44 1klf h LEU 98 CO 0.20 -0.11 0.55 0.35 -0.13 0.00 0.00 178.44 179.31 1klf n THR 99 N -5.18 2.91 -4.47 1.05 -2.24 -1.26 -4.92 114.28 100.16 1klf n THR 99 Ca 0.20 -1.66 -0.24 0.00 -2.27 0.00 0.00 64.05 60.08 1klf n THR 99 Cb 0.63 -0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 68.23 1klf n THR 99 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1klf s GLU 100 N -2.87 1.66 -0.37 -0.78 2.02 -0.04 -5.09 118.70 113.23 1klf s GLU 100 Ca 0.50 -1.80 -0.25 0.00 0.02 0.00 0.00 54.97 53.44 1klf s GLU 100 Cb 0.42 -1.58 0.01 0.00 0.10 0.00 0.00 34.13 33.08 1klf s GLU 100 CO 0.10 0.21 0.88 -0.80 0.02 0.00 0.00 175.26 175.66 1klf s ASN 101 N -3.51 6.62 0.20 -0.19 -0.87 -1.26 -5.02 114.94 110.92 1klf s ASN 101 Ca 0.30 0.47 0.06 0.00 -1.57 0.00 0.00 52.86 52.12 1klf s ASN 101 Cb -0.01 -2.44 -0.05 0.00 -0.02 0.00 0.00 41.25 38.73 1klf s ASN 101 CO 0.14 -0.83 -0.10 0.42 -2.57 0.00 0.00 177.10 174.16 1klf s THR 102 N 3.36 1.47 -0.07 1.60 -4.23 -1.26 -5.14 115.64 111.37 1klf s THR 102 Ca 0.36 -2.13 -0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1klf s THR 102 Cb -0.12 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.67 1klf s THR 102 CO 0.19 -0.57 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.44 1klf s LEU 103 N -3.28 1.00 -0.02 4.79 2.96 -1.26 -5.14 118.68 117.72 1klf s LEU 103 Ca 0.22 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1klf s LEU 103 Cb 0.02 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 1klf s LEU 103 CO 0.06 -0.12 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.66 1klf s GLN 104 N 1.51 2.25 0.13 1.98 -0.21 -1.26 -5.12 119.66 118.93 1klf s GLN 104 Ca -0.01 -0.85 0.06 0.00 0.02 0.00 0.00 55.36 54.57 1klf s GLN 104 Cb -0.13 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 1klf s GLN 104 CO -0.04 0.58 0.03 -0.51 -2.12 0.00 0.00 175.29 173.23 1klf s LEU 105 N -0.78 3.49 -0.24 2.90 1.43 -1.26 -5.10 118.68 119.12 1klf s LEU 105 Ca 0.11 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1klf s LEU 105 Cb -0.10 -2.17 0.07 0.00 0.03 0.00 0.00 46.19 44.01 1klf s LEU 105 CO 0.00 0.13 -0.01 0.00 0.23 0.00 0.00 176.35 176.71 1klf s ALA 106 N -1.53 1.70 0.28 4.21 0.00 -1.26 -4.70 121.76 120.47 1klf s ALA 106 Ca 0.27 -1.28 -0.28 0.00 0.00 0.00 0.00 51.96 50.67 1klf s ALA 106 Cb -0.11 -1.42 -0.09 0.00 0.00 0.00 0.00 23.12 21.50 1klf s ALA 106 CO 0.19 -1.27 0.99 0.42 0.00 0.00 0.00 175.76 176.09 1klf s ILE 107 N 1.52 3.93 0.01 0.00 -1.09 -1.25 -4.83 121.20 119.49 1klf s ILE 107 Ca -0.02 1.82 0.03 0.00 -2.23 0.00 0.00 60.65 60.25 1klf s ILE 107 Cb -0.18 -4.11 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1klf s ILE 107 CO -0.09 0.34 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.23 1klf s ILE 108 N -1.32 0.74 -0.16 2.92 1.01 -1.26 -0.43 121.20 122.70 1klf s ILE 108 Ca 0.45 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1klf s ILE 108 Cb -0.25 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 1klf s ILE 108 CO 0.32 0.07 -0.07 -0.44 0.00 0.00 0.00 174.94 174.82 1klf s SER 109 N -0.58 4.43 -0.18 3.58 0.01 0.58 -4.93 113.70 116.60 1klf s SER 109 Ca 0.01 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.03 1klf s SER 109 Cb -0.05 -1.71 0.04 0.00 0.21 0.00 0.00 66.02 64.50 1klf s SER 109 CO 0.00 0.14 -0.11 -0.60 0.41 0.00 0.00 173.24 173.08 1klf s ARG 110 N 0.54 2.09 0.16 12.44 3.52 -1.25 -0.59 118.95 135.86 1klf s ARG 110 Ca -0.05 -0.76 0.07 0.00 -0.13 0.00 0.00 55.73 54.86 1klf s ARG 110 Cb -0.15 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 1klf s ARG 110 CO 0.03 -0.38 -0.16 0.96 -0.81 0.00 0.00 175.30 174.95 1klf s ILE 111 N 1.42 1.65 0.45 4.11 -4.36 0.10 -4.93 121.20 119.64 1klf s ILE 111 Ca 0.00 -1.94 -0.23 0.00 -0.26 0.00 0.00 60.65 58.22 1klf s ILE 111 Cb -0.15 -1.81 -0.08 0.00 1.25 0.00 0.00 42.46 41.68 1klf s ILE 111 CO -0.09 -0.42 1.17 -0.54 0.24 0.00 0.00 174.94 175.30 1klf s LYS 112 N -2.99 3.82 -0.12 0.37 1.02 -1.26 -0.00 119.74 120.57 1klf s LYS 112 Ca 0.15 1.80 -0.01 0.00 0.02 0.00 0.00 55.97 57.93 1klf s LYS 112 Cb -0.04 -2.46 0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1klf s LYS 112 CO 0.05 -0.51 -0.02 -1.17 -0.92 0.00 0.00 175.35 172.78 1klf s LEU 113 N -2.91 1.06 -0.14 3.17 2.96 -0.05 -1.44 118.68 121.32 1klf s LEU 113 Ca 0.62 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 54.09 1klf s LEU 113 Cb -0.29 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 1klf s LEU 113 CO 0.36 -0.19 0.06 -0.31 -1.32 0.00 0.00 176.35 174.94 1klf s TYR 114 N 1.81 3.28 -0.42 5.38 1.51 -0.05 -1.26 117.35 127.61 1klf s TYR 114 Ca 0.03 0.18 -0.20 0.00 -1.01 0.00 0.00 57.07 56.07 1klf s TYR 114 Cb -0.14 -1.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1klf s TYR 114 CO -0.07 0.35 0.59 -0.47 -1.11 0.00 0.00 175.55 174.83 1klf s TYR 115 N -0.24 3.10 -0.45 2.71 5.04 -0.88 0.78 117.35 127.42 1klf s TYR 115 Ca 0.08 -0.06 -0.10 0.00 -2.44 0.00 0.00 57.07 54.55 1klf s TYR 115 Cb -0.12 -3.20 0.09 0.00 0.35 0.00 0.00 41.96 39.09 1klf s TYR 115 CO 0.01 -0.78 0.31 0.50 -1.34 0.00 0.00 175.55 174.26 1klf s ARG 116 N 2.63 2.61 -0.48 4.97 3.52 0.47 -1.94 118.95 130.73 1klf s ARG 116 Ca 0.20 -1.56 -0.32 0.00 -0.13 0.00 0.00 55.73 53.92 1klf s ARG 116 Cb -0.15 -3.88 -0.12 0.00 -1.56 0.00 0.00 34.95 29.24 1klf s ARG 116 CO 0.17 -1.06 2.33 -2.30 -0.81 0.00 0.00 175.30 173.63 1klf n PRO 117 N 4.96 0.93 -2.10 5.12 -0.02 -1.26 -1.55 135.00 141.07 1klf n PRO 117 Ca -0.10 0.18 -0.30 0.00 -2.02 0.00 0.00 63.50 61.27 1klf n PRO 117 Cb 0.42 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 1klf n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1klf s ALA 118 N 8.78 1.85 0.00 3.55 0.00 -1.26 -3.48 121.76 131.19 1klf s ALA 118 Ca 1.11 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1klf s ALA 118 Cb -0.74 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 17.87 1klf s ALA 118 CO 0.43 -4.54 0.00 1.17 0.00 0.00 0.00 175.76 172.82 1klf n LYS 119 N 8.92 0.00 -3.45 0.00 3.00 -1.26 -4.96 118.16 120.41 1klf n LYS 119 Ca 0.36 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.35 1klf n LYS 119 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.46 1klf n LYS 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1klf s LEU 120 N 0.00 4.18 0.00 3.14 1.43 -1.23 -5.05 118.68 121.15 1klf s LEU 120 Ca 0.00 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1klf s LEU 120 Cb 0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1klf s LEU 120 CO 0.00 -0.05 0.23 0.00 0.23 0.00 0.00 176.35 176.76 1klf n ALA 121 N -0.10 -0.10 -1.48 4.21 0.00 -1.26 -4.75 120.51 117.03 1klf n ALA 121 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 1klf n ALA 121 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 1klf n ALA 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1klf n LEU 122 N -1.71 2.34 -4.73 0.00 7.94 -1.26 -4.90 117.00 114.68 1klf n LEU 122 Ca 0.00 0.35 -0.42 0.00 -1.11 0.00 0.00 56.01 54.83 1klf n LEU 122 Cb 0.00 -1.32 -0.03 0.00 0.53 0.00 0.00 43.42 42.60 1klf n LEU 122 CO 0.00 -0.74 1.05 -2.16 -1.11 0.00 0.00 177.39 174.43 1klf s PRO 123 N 6.32 4.33 0.25 1.96 0.04 -1.26 -4.90 135.00 141.74 1klf s PRO 123 Ca 1.08 2.10 0.12 0.00 0.04 0.00 0.00 61.00 64.34 1klf s PRO 123 Cb -0.74 -3.21 0.85 0.00 0.04 0.00 0.00 34.50 31.43 1klf s PRO 123 CO 0.46 -0.38 1.10 -0.35 0.04 0.00 0.00 177.00 177.86 1klf n PRO 124 N 3.39 -0.04 -0.16 0.56 -0.04 -1.26 0.12 135.00 137.57 1klf n PRO 124 Ca 0.09 0.98 0.05 0.00 -0.04 0.00 0.00 63.50 64.58 1klf n PRO 124 Cb 0.42 -1.71 0.35 0.00 -0.04 0.00 0.00 33.50 32.52 1klf n PRO 124 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1klf h ASP 125 N 0.00 0.66 -0.55 3.54 3.04 -2.02 -2.62 116.42 118.48 1klf h ASP 125 Ca 0.56 -0.00 -0.33 0.00 -3.24 0.00 0.00 57.03 54.01 1klf h ASP 125 Cb 1.42 -0.15 -0.17 0.00 -1.04 0.00 0.00 39.33 39.39 1klf h ASP 125 CO -0.56 0.45 0.42 1.67 -2.04 0.00 0.00 179.24 179.18 1klf n GLN 126 N -4.47 1.80 -0.09 4.15 7.27 0.33 -4.43 117.38 121.94 1klf n GLN 126 Ca 0.09 -1.73 -0.16 0.00 0.07 0.00 0.00 57.00 55.27 1klf n GLN 126 Cb 0.16 -1.68 -0.08 0.00 2.41 0.00 0.00 30.24 31.06 1klf n GLN 126 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1klf n ALA 127 N -0.14 1.69 -0.33 1.69 0.00 -0.99 -4.53 120.51 117.91 1klf n ALA 127 Ca 0.34 -0.76 0.10 0.00 0.00 0.00 0.00 53.44 53.12 1klf n ALA 127 Cb 0.89 0.17 0.27 0.00 0.00 0.00 0.00 19.45 20.79 1klf n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1klf h ALA 128 N -0.34 1.49 -0.88 0.00 0.00 -1.79 -1.46 119.26 116.28 1klf h ALA 128 Ca -0.44 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.60 1klf h ALA 128 Cb 1.52 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1klf h ALA 128 CO -0.18 -0.05 0.55 0.93 0.00 0.00 0.00 179.25 180.50 1klf h GLU 129 N 0.71 1.01 0.00 0.00 5.08 -1.88 -1.73 114.58 117.78 1klf h GLU 129 Ca 0.53 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1klf h GLU 129 Cb 0.77 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1klf h GLU 129 CO -0.37 0.67 0.00 1.63 -1.00 0.00 0.00 179.01 179.93 1klf n LYS 130 N -4.58 0.09 -2.39 2.33 4.76 -0.55 -4.65 118.16 113.17 1klf n LYS 130 Ca 0.12 0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 55.24 1klf n LYS 130 Cb 0.14 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 1klf n LYS 130 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1klf s LEU 131 N -2.22 3.50 0.00 -0.35 2.96 -0.65 -4.56 118.68 117.36 1klf s LEU 131 Ca 0.05 0.54 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 1klf s LEU 131 Cb 0.02 -3.31 0.04 0.00 0.50 0.00 0.00 46.19 43.44 1klf s LEU 131 CO 0.05 -1.55 0.32 0.54 -1.32 0.00 0.00 176.35 174.38 1klf n ARG 132 N 8.34 0.74 -0.56 1.98 1.74 -1.00 -4.43 116.66 123.47 1klf n ARG 132 Ca 0.14 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 1klf n ARG 132 Cb 0.49 -0.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 1klf n ARG 132 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1klf n PHE 133 N -1.58 -0.04 -2.67 -1.55 3.01 -1.23 -2.72 117.46 110.69 1klf n PHE 133 Ca 0.06 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.54 1klf n PHE 133 Cb 0.23 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.71 1klf n PHE 133 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1klf s ARG 134 N 0.11 0.03 -0.32 -1.08 3.52 -1.25 -1.86 118.95 118.09 1klf s ARG 134 Ca 0.00 -0.01 -0.11 0.00 -0.13 0.00 0.00 55.73 55.48 1klf s ARG 134 Cb 0.00 0.00 -0.02 0.00 -1.56 0.00 0.00 34.95 33.38 1klf s ARG 134 CO 0.00 -0.04 0.20 -0.98 -0.81 0.00 0.00 175.30 173.67 1klf s ARG 135 N 1.95 3.47 0.00 5.12 1.04 -1.26 -1.08 118.95 128.19 1klf s ARG 135 Ca 0.14 -0.65 0.00 0.00 -1.04 0.00 0.00 55.73 54.19 1klf s ARG 135 Cb 0.05 -3.70 0.00 0.00 -2.04 0.00 0.00 34.95 29.27 1klf s ARG 135 CO -0.16 -0.41 0.00 0.43 -0.04 0.00 0.00 175.30 175.12 1klf n SER 136 N 5.05 0.00 -0.30 -2.89 7.64 -1.25 -4.96 113.62 116.91 1klf n SER 136 Ca -0.13 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.79 1klf n SER 136 Cb 0.50 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.79 1klf n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1klf n ALA 137 N -3.00 2.21 -0.07 -0.43 0.00 -1.26 -4.70 120.51 113.25 1klf n ALA 137 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1klf n ALA 137 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1klf n ALA 137 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1klf n ASN 138 N -0.34 0.00 -3.53 0.00 0.23 -1.12 -3.99 115.26 106.51 1klf n ASN 138 Ca 0.08 0.00 -0.27 0.00 -0.53 0.00 0.00 54.58 53.87 1klf n ASN 138 Cb 0.44 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.04 1klf n ASN 138 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1klf n SER 139 N 0.00 2.32 -4.69 0.53 7.64 -1.26 0.12 113.62 118.28 1klf n SER 139 Ca 0.00 -3.09 -0.42 0.00 1.01 0.00 0.00 58.87 56.36 1klf n SER 139 Cb 0.00 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.50 1klf n SER 139 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1klf s LEU 140 N -1.57 4.29 -0.52 -3.43 0.20 -1.08 -3.83 118.68 112.75 1klf s LEU 140 Ca 0.33 1.81 -0.00 0.00 0.69 0.00 0.00 54.13 56.96 1klf s LEU 140 Cb 0.08 -3.56 0.14 0.00 -0.43 0.00 0.00 46.19 42.41 1klf s LEU 140 CO -0.11 -0.54 0.30 -0.89 -0.29 0.00 0.00 176.35 174.82 1klf s THR 141 N 1.97 3.19 0.19 3.68 2.01 -0.24 -0.48 115.64 125.96 1klf s THR 141 Ca 0.55 -2.77 -0.32 0.00 0.31 0.00 0.00 61.69 59.46 1klf s THR 141 Cb -0.25 -3.16 -0.15 0.00 0.01 0.00 0.00 72.50 68.96 1klf s THR 141 CO 0.23 -0.79 1.27 0.18 -0.69 0.00 0.00 174.62 174.82 1klf n LEU 142 N 3.74 2.10 -3.86 4.42 7.99 0.29 -3.87 117.00 127.82 1klf n LEU 142 Ca 0.04 1.14 -0.27 0.00 -0.01 0.00 0.00 56.01 56.92 1klf n LEU 142 Cb 0.38 -1.29 -0.17 0.00 -0.11 0.00 0.00 43.42 42.23 1klf n LEU 142 CO 0.32 -0.99 -0.42 -0.51 -1.51 0.00 0.00 177.39 174.29 1klf s ILE 143 N -0.08 0.87 -0.26 -0.08 1.10 -1.10 -1.06 121.20 120.58 1klf s ILE 143 Ca 0.72 -0.34 -0.01 0.00 -0.51 0.00 0.00 60.65 60.51 1klf s ILE 143 Cb -0.78 -1.02 0.04 0.00 0.15 0.00 0.00 42.46 40.85 1klf s ILE 143 CO 0.51 0.21 -0.06 0.21 -2.11 0.00 0.00 174.94 173.69 1klf s ASN 144 N 1.75 4.43 0.00 4.50 2.47 -0.54 -2.38 114.94 125.17 1klf s ASN 144 Ca 0.03 -1.07 0.24 0.00 0.42 0.00 0.00 52.86 52.47 1klf s ASN 144 Cb -0.14 -1.64 0.27 0.00 -1.45 0.00 0.00 41.25 38.29 1klf s ASN 144 CO -0.07 -0.17 1.25 -0.81 -3.72 0.00 0.00 177.10 173.58 1klf n PRO 145 N 4.61 0.08 -0.61 0.43 -0.04 -1.26 -1.03 135.00 137.17 1klf n PRO 145 Ca -0.15 -0.05 -0.14 0.00 -0.04 0.00 0.00 63.50 63.12 1klf n PRO 145 Cb 0.45 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.52 1klf n PRO 145 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1klf n THR 146 N -1.42 0.00 -1.17 0.52 -2.24 -1.26 -4.21 114.28 104.51 1klf n THR 146 Ca 0.05 -0.30 0.01 0.00 -2.27 0.00 0.00 64.05 61.55 1klf n THR 146 Cb 0.34 -1.32 0.24 0.00 -2.10 0.00 0.00 70.33 67.49 1klf n THR 146 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1klf n PRO 147 N -2.80 2.63 -4.35 -0.78 -0.04 -1.26 -0.19 135.00 128.20 1klf n PRO 147 Ca 0.07 -3.00 -0.27 0.00 -0.04 0.00 0.00 63.50 60.27 1klf n PRO 147 Cb 0.27 -1.90 -0.13 0.00 -0.04 0.00 0.00 33.50 31.71 1klf n PRO 147 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1klf s TYR 148 N -3.01 2.08 -0.01 0.54 1.51 -1.26 -1.70 117.35 115.50 1klf s TYR 148 Ca 0.45 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.81 1klf s TYR 148 Cb 0.38 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 1klf s TYR 148 CO 0.06 0.29 1.26 0.71 -1.11 0.00 0.00 175.55 176.77 1klf s TYR 149 N -1.15 3.14 -0.30 2.71 1.51 -1.26 -3.92 117.35 118.08 1klf s TYR 149 Ca 0.11 1.11 -0.12 0.00 -1.01 0.00 0.00 57.07 57.16 1klf s TYR 149 Cb -0.10 -3.50 -0.04 0.00 -0.11 0.00 0.00 41.96 38.22 1klf s TYR 149 CO 0.05 -1.66 0.23 -0.51 -1.11 0.00 0.00 175.55 172.55 1klf s LEU 150 N 2.02 4.21 -1.05 -1.29 1.43 0.18 -4.92 118.68 119.26 1klf s LEU 150 Ca 0.59 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.41 1klf s LEU 150 Cb -0.28 -2.16 0.20 0.00 0.03 0.00 0.00 46.19 43.99 1klf s LEU 150 CO 0.25 -0.13 1.15 -0.89 0.23 0.00 0.00 176.35 176.96 1klf s THR 151 N 1.78 5.36 -0.11 5.49 2.01 -1.26 0.26 115.64 129.16 1klf s THR 151 Ca 0.07 -2.61 -0.30 0.00 0.31 0.00 0.00 61.69 59.16 1klf s THR 151 Cb -0.16 -4.71 -0.03 0.00 0.01 0.00 0.00 72.50 67.61 1klf s THR 151 CO 0.11 -1.36 1.27 -0.69 -0.69 0.00 0.00 174.62 173.25 1klf s VAL 152 N 0.73 4.20 0.25 3.82 1.01 0.83 -2.14 120.40 129.09 1klf s VAL 152 Ca 0.33 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.81 1klf s VAL 152 Cb -0.07 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1klf s VAL 152 CO -0.06 -0.08 0.06 0.28 0.00 0.00 0.00 175.10 175.31 1klf s THR 153 N 3.00 0.74 -1.54 3.92 -1.32 -0.63 -0.37 115.64 119.44 1klf s THR 153 Ca 0.57 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.94 1klf s THR 153 Cb -0.24 -2.54 0.08 0.00 -1.51 0.00 0.00 72.50 68.29 1klf s THR 153 CO 0.19 -0.12 0.72 -0.62 -2.21 0.00 0.00 174.62 172.57 1klf n GLU 154 N -0.46 -3.96 -2.77 7.08 1.02 -1.26 -1.89 120.64 118.40 1klf n GLU 154 Ca -0.02 0.46 -0.36 0.00 -0.02 0.00 0.00 57.16 57.22 1klf n GLU 154 Cb 0.65 -5.03 -0.06 0.00 -0.02 0.00 0.00 31.44 26.98 1klf n GLU 154 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1klf s LEU 155 N -7.13 4.24 -0.14 -4.62 2.96 -1.25 -4.06 118.68 108.67 1klf s LEU 155 Ca 0.43 1.82 -0.12 0.00 -0.22 0.00 0.00 54.13 56.04 1klf s LEU 155 Cb -0.23 -4.14 0.04 0.00 0.50 0.00 0.00 46.19 42.36 1klf s LEU 155 CO 0.88 -0.16 0.38 0.20 -1.32 0.00 0.00 176.35 176.33 1klf s ASN 156 N -1.73 -0.41 -0.00 3.68 0.01 0.15 -1.55 114.94 115.08 1klf s ASN 156 Ca 0.53 0.77 0.00 0.00 -0.71 0.00 0.00 52.86 53.45 1klf s ASN 156 Cb -0.17 0.75 0.00 0.00 0.41 0.00 0.00 41.25 42.24 1klf s ASN 156 CO 0.22 -0.15 1.33 0.00 -1.51 0.00 0.00 177.10 176.99 1klf n ALA 157 N 3.27 3.01 0.00 0.60 0.00 -0.02 -0.15 120.51 127.22 1klf n ALA 157 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1klf n ALA 157 Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1klf n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1klf n GLY 158 N 0.81 2.76 0.59 0.00 0.00 -1.02 -2.43 105.19 105.90 1klf n GLY 158 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1klf n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1klf n THR 159 N 0.00 0.00 -2.01 2.61 -2.24 -1.26 -4.92 114.28 106.45 1klf n THR 159 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1klf n THR 159 Cb 0.00 -0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 67.25 1klf n THR 159 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1klf s ARG 160 N -1.95 4.27 -0.17 -0.78 6.06 -1.26 -5.00 118.95 120.12 1klf s ARG 160 Ca 0.00 2.32 -0.12 0.00 -2.50 0.00 0.00 55.73 55.43 1klf s ARG 160 Cb 0.00 -3.07 -0.05 0.00 0.06 0.00 0.00 34.95 31.89 1klf s ARG 160 CO 0.00 -0.36 0.22 0.54 -2.50 0.00 0.00 175.30 173.21 1klf s VAL 161 N -0.62 5.35 0.00 7.11 0.11 -1.26 -0.84 120.40 130.25 1klf s VAL 161 Ca 0.54 0.40 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1klf s VAL 161 Cb -0.42 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 1klf s VAL 161 CO 0.50 0.43 0.00 0.18 -3.33 0.00 0.00 175.10 172.88 1klf n LEU 162 N 3.41 0.00 -4.65 2.54 4.77 -0.59 -4.97 117.00 117.50 1klf n LEU 162 Ca -0.14 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.49 1klf n LEU 162 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1klf n LEU 162 CO 0.38 -0.17 -0.29 -0.70 -1.33 0.00 0.00 177.39 175.29 1klf s GLU 163 N 0.92 3.45 0.83 3.23 2.12 -1.26 -4.75 118.70 123.24 1klf s GLU 163 Ca 0.00 -0.38 -0.15 0.00 0.36 0.00 0.00 54.97 54.79 1klf s GLU 163 Cb 0.00 -2.98 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 1klf s GLU 163 CO 0.00 0.50 0.17 0.09 -0.54 0.00 0.00 175.26 175.48 1klf n ASN 164 N 2.80 -2.66 -3.95 -1.70 3.02 -1.26 -4.90 115.26 106.60 1klf n ASN 164 Ca -0.18 0.43 -0.09 0.00 -0.03 0.00 0.00 54.58 54.71 1klf n ASN 164 Cb 0.53 -1.09 -0.09 0.00 -0.61 0.00 0.00 39.78 38.52 1klf n ASN 164 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1klf s ALA 165 N -2.09 0.00 -0.29 5.41 0.00 0.51 -5.02 121.76 120.27 1klf s ALA 165 Ca 0.57 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1klf s ALA 165 Cb -0.28 0.25 0.08 0.00 0.00 0.00 0.00 23.12 23.16 1klf s ALA 165 CO 0.67 -0.31 -0.03 -1.17 0.00 0.00 0.00 175.76 174.92 1klf s LEU 166 N -2.17 3.69 -0.37 0.00 2.96 -1.26 -0.12 118.68 121.42 1klf s LEU 166 Ca -0.04 -1.66 -0.14 0.00 -0.22 0.00 0.00 54.13 52.07 1klf s LEU 166 Cb -0.01 -1.46 -0.00 0.00 0.50 0.00 0.00 46.19 45.22 1klf s LEU 166 CO -0.05 -0.29 0.27 -0.69 -1.32 0.00 0.00 176.35 174.28 1klf s VAL 167 N 1.12 5.27 0.68 1.68 1.01 0.14 -4.87 120.40 125.43 1klf s VAL 167 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1klf s VAL 167 Cb -0.19 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1klf s VAL 167 CO -0.08 -0.15 1.19 -0.81 0.00 0.00 0.00 175.10 175.26 1klf n PRO 168 N 5.14 0.86 -1.68 2.72 -0.04 -1.26 -0.65 135.00 140.09 1klf n PRO 168 Ca -0.12 0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 63.26 1klf n PRO 168 Cb 0.48 -2.43 -0.01 0.00 -0.04 0.00 0.00 33.50 31.50 1klf n PRO 168 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1klf n PRO 169 N -2.00 2.05 -4.17 0.54 -0.02 -1.25 -1.76 135.00 128.38 1klf n PRO 169 Ca 0.15 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 62.00 1klf n PRO 169 Cb 0.48 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1klf n PRO 169 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1klf n MET 170 N 1.09 -1.49 -0.40 -0.52 2.81 0.73 -4.84 117.12 114.50 1klf n MET 170 Ca 0.07 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1klf n MET 170 Cb 0.34 -4.77 0.00 0.00 -0.71 0.00 0.00 33.22 28.08 1klf n MET 170 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1klf n GLY 171 N -1.03 4.90 3.55 3.03 0.00 -0.20 -4.94 105.19 110.50 1klf n GLY 171 Ca 0.09 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 1klf n GLY 171 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1klf s GLU 172 N 0.40 1.31 -0.01 1.61 -1.05 -1.26 -1.47 118.70 118.23 1klf s GLU 172 Ca 0.00 -0.57 -0.04 0.00 -0.15 0.00 0.00 54.97 54.20 1klf s GLU 172 Cb 0.00 0.55 -0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1klf s GLU 172 CO 0.00 -0.58 0.09 -1.12 0.95 0.00 0.00 175.26 174.59 1klf s SER 173 N -2.76 0.03 -0.24 0.83 0.01 -0.23 -4.80 113.70 106.55 1klf s SER 173 Ca 0.05 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.14 1klf s SER 173 Cb -0.02 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1klf s SER 173 CO -0.07 -0.25 -0.06 0.28 0.41 0.00 0.00 173.24 173.55 1klf s THR 174 N -0.96 2.98 -0.09 1.44 -1.32 -1.26 0.10 115.64 116.54 1klf s THR 174 Ca -0.10 -0.86 -0.15 0.00 -1.21 0.00 0.00 61.69 59.37 1klf s THR 174 Cb -0.06 -2.45 -0.05 0.00 -1.51 0.00 0.00 72.50 68.43 1klf s THR 174 CO 0.01 0.28 0.36 -0.69 -2.21 0.00 0.00 174.62 172.37 1klf s VAL 175 N 1.37 5.19 -0.22 5.08 1.01 0.37 -4.95 120.40 128.25 1klf s VAL 175 Ca 0.02 0.72 -0.35 0.00 0.00 0.00 0.00 61.98 62.38 1klf s VAL 175 Cb -0.16 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 1klf s VAL 175 CO -0.05 0.47 2.00 0.29 0.00 0.00 0.00 175.10 177.81 1klf n LYS 176 N 2.79 1.63 -2.75 2.72 4.01 -1.26 -2.63 118.16 122.67 1klf n LYS 176 Ca -0.12 0.54 -0.43 0.00 -0.51 0.00 0.00 58.31 57.79 1klf n LYS 176 Cb 0.52 -2.56 -0.03 0.00 -0.51 0.00 0.00 35.03 32.45 1klf n LYS 176 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1klf s LEU 177 N 5.55 3.89 0.65 -0.35 2.96 0.31 -4.84 118.68 126.84 1klf s LEU 177 Ca 1.00 0.27 0.42 0.00 -0.22 0.00 0.00 54.13 55.61 1klf s LEU 177 Cb -0.77 -3.31 2.27 0.00 0.50 0.00 0.00 46.19 44.88 1klf s LEU 177 CO 0.51 -1.10 2.33 1.55 -1.32 0.00 0.00 176.35 178.33 1klf h PRO 178 N 9.06 0.00 0.00 0.98 0.13 -1.83 -2.96 132.00 137.38 1klf h PRO 178 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1klf h PRO 178 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1klf h PRO 178 CO 1.06 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.28 1klf n SER 179 N -3.19 0.00 -0.99 1.44 2.88 -1.26 -4.73 113.62 107.77 1klf n SER 179 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1klf n SER 179 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1klf n SER 179 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1klf n ASP 180 N 0.00 2.76 -0.26 -3.46 10.43 -1.26 -4.78 116.55 119.98 1klf n ASP 180 Ca 0.00 -1.86 0.00 0.00 2.57 0.00 0.00 54.79 55.50 1klf n ASP 180 Cb 0.00 -0.47 0.00 0.00 1.84 0.00 0.00 41.12 42.49 1klf n ASP 180 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1klf n ALA 181 N 0.53 0.00 0.00 2.24 0.00 -1.26 -4.35 120.51 117.67 1klf n ALA 181 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1klf n ALA 181 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1klf n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1klf n GLY 182 N 0.00 -1.48 0.00 0.00 0.00 -1.02 -4.59 105.19 98.10 1klf n GLY 182 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1klf n GLY 182 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1klf n SER 183 N 0.00 0.00 -1.75 1.61 2.88 -1.24 -4.97 113.62 110.15 1klf n SER 183 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1klf n SER 183 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1klf n SER 183 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1klf n ASN 184 N 0.00 4.33 -4.64 -3.46 5.15 -1.26 -4.80 115.26 110.58 1klf n ASN 184 Ca 0.00 -2.20 -0.53 0.00 -0.60 0.00 0.00 54.58 51.26 1klf n ASN 184 Cb 0.00 -1.00 -0.06 0.00 -0.53 0.00 0.00 39.78 38.19 1klf n ASN 184 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1klf n ILE 185 N 1.91 0.14 -4.47 -1.44 5.41 -1.25 -2.42 119.36 117.24 1klf n ILE 185 Ca 0.11 -0.02 -0.20 0.00 1.00 0.00 0.00 62.75 63.63 1klf n ILE 185 Cb 0.52 -1.11 -0.14 0.00 -0.71 0.00 0.00 39.64 38.19 1klf n ILE 185 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1klf s THR 186 N 1.71 0.95 0.04 1.39 -4.23 0.79 0.32 115.64 116.61 1klf s THR 186 Ca 0.88 -0.62 -0.27 0.00 -1.18 0.00 0.00 61.69 60.50 1klf s THR 186 Cb -0.93 -0.82 0.08 0.00 1.34 0.00 0.00 72.50 72.16 1klf s THR 186 CO 0.52 0.19 0.69 -0.72 -0.54 0.00 0.00 174.62 174.75 1klf s TYR 187 N -0.42 -0.56 0.30 3.99 -0.85 -0.99 0.30 117.35 119.11 1klf s TYR 187 Ca 0.04 0.68 0.05 0.00 -0.52 0.00 0.00 57.07 57.31 1klf s TYR 187 Cb -0.05 0.49 -0.06 0.00 0.38 0.00 0.00 41.96 42.71 1klf s TYR 187 CO -0.00 -0.69 0.01 1.03 -1.52 0.00 0.00 175.55 174.38 1klf s ARG 188 N -2.44 1.60 0.20 -3.49 0.52 -0.79 -1.12 118.95 113.42 1klf s ARG 188 Ca -0.04 -1.86 0.03 0.00 -0.52 0.00 0.00 55.73 53.34 1klf s ARG 188 Cb -0.01 -0.97 -0.01 0.00 0.52 0.00 0.00 34.95 34.48 1klf s ARG 188 CO -0.02 -0.10 0.11 0.25 0.02 0.00 0.00 175.30 175.56 1klf n THR 189 N -0.64 0.00 -4.09 0.02 -2.24 -1.26 -1.60 114.28 104.46 1klf n THR 189 Ca -0.04 -1.28 -0.32 0.00 -2.27 0.00 0.00 64.05 60.14 1klf n THR 189 Cb 0.65 0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 69.26 1klf n THR 189 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1klf s ILE 190 N -2.50 2.07 0.72 2.28 1.01 -0.91 -0.83 121.20 123.03 1klf s ILE 190 Ca 0.15 -1.19 -0.06 0.00 0.00 0.00 0.00 60.65 59.55 1klf s ILE 190 Cb 0.01 -2.00 0.08 0.00 0.01 0.00 0.00 42.46 40.56 1klf s ILE 190 CO 0.11 0.32 1.02 0.54 0.00 0.00 0.00 174.94 176.92 1klf s ASN 191 N 1.23 4.66 0.48 3.58 2.20 0.28 -4.57 114.94 122.80 1klf s ASN 191 Ca -0.00 0.33 0.04 0.00 -0.94 0.00 0.00 52.86 52.29 1klf s ASN 191 Cb -0.16 -0.92 0.24 0.00 -2.00 0.00 0.00 41.25 38.41 1klf s ASN 191 CO -0.10 -1.68 1.02 0.44 -2.94 0.00 0.00 177.10 173.83 1klf h ASP 192 N -0.63 0.00 -0.41 3.54 3.45 -1.98 1.77 116.42 122.16 1klf h ASP 192 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 1klf h ASP 192 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1klf h ASP 192 CO 0.56 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 177.01 1klf n TYR 193 N -2.16 0.85 -2.35 4.55 4.02 -1.26 -4.89 117.16 115.91 1klf n TYR 193 Ca -0.00 -0.63 -0.17 0.00 -0.01 0.00 0.00 57.90 57.08 1klf n TYR 193 Cb 0.75 -0.15 -0.01 0.00 -0.02 0.00 0.00 39.34 39.91 1klf n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1klf n GLY 194 N 0.41 -0.34 3.65 2.72 0.00 0.60 -4.95 105.19 107.28 1klf n GLY 194 Ca 0.18 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1klf n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1klf s ALA 195 N -2.87 3.18 -0.01 4.61 0.00 -1.21 -4.86 121.76 120.59 1klf s ALA 195 Ca 0.01 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 1klf s ALA 195 Cb -0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1klf s ALA 195 CO 0.01 0.62 1.28 -0.51 0.00 0.00 0.00 175.76 177.17 1klf s LEU 196 N -1.36 4.31 0.88 0.00 1.43 -1.26 -0.55 118.68 122.13 1klf s LEU 196 Ca 0.17 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 1klf s LEU 196 Cb -0.11 -3.56 0.12 0.00 0.03 0.00 0.00 46.19 42.67 1klf s LEU 196 CO 0.08 -0.62 1.16 0.42 0.23 0.00 0.00 176.35 177.61 1klf s THR 197 N 2.10 1.99 0.37 5.49 -4.23 -0.01 -4.92 115.64 116.44 1klf s THR 197 Ca 0.59 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.85 1klf s THR 197 Cb -0.28 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 70.64 1klf s THR 197 CO 0.25 0.00 1.11 -2.16 -0.54 0.00 0.00 174.62 173.28 1klf s PRO 198 N -5.39 4.22 0.14 3.99 0.04 -1.26 -4.32 135.00 132.42 1klf s PRO 198 Ca 0.64 1.72 -0.35 0.00 0.04 0.00 0.00 61.00 63.05 1klf s PRO 198 Cb -0.13 -2.75 -0.15 0.00 0.04 0.00 0.00 34.50 31.51 1klf s PRO 198 CO 0.52 -0.14 1.45 1.17 0.04 0.00 0.00 177.00 180.04 1klf n LYS 199 N 0.28 1.71 -4.41 4.56 4.81 -1.26 -4.76 118.16 119.09 1klf n LYS 199 Ca 0.03 0.61 -0.20 0.00 -0.87 0.00 0.00 58.31 57.88 1klf n LYS 199 Cb 0.47 -2.31 -0.10 0.00 0.02 0.00 0.00 35.03 33.10 1klf n LYS 199 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1klf s MET 200 N 0.58 1.50 -0.12 1.64 -1.94 -0.28 -4.98 119.30 115.70 1klf s MET 200 Ca 0.80 -1.75 -0.13 0.00 -1.71 0.00 0.00 55.69 52.90 1klf s MET 200 Cb -0.79 -1.10 -0.05 0.00 2.01 0.00 0.00 34.83 34.90 1klf s MET 200 CO 0.43 0.04 0.29 0.99 -0.01 0.00 0.00 175.02 176.76 1klf s THR 201 N -3.05 5.28 0.25 2.05 2.01 -1.26 -2.35 115.64 118.58 1klf s THR 201 Ca 0.28 0.55 -0.31 0.00 0.31 0.00 0.00 61.69 62.52 1klf s THR 201 Cb 0.03 -3.61 -0.13 0.00 0.01 0.00 0.00 72.50 68.81 1klf s THR 201 CO 0.11 0.47 1.45 0.61 -0.69 0.00 0.00 174.62 176.57 1klf n GLY 202 N 2.81 0.90 2.50 4.40 0.00 0.96 -4.96 105.19 111.80 1klf n GLY 202 Ca -0.14 0.49 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 1klf n GLY 202 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1klf n VAL 203 N 1.94 0.69 -1.51 1.61 0.31 -1.26 -4.70 118.33 115.41 1klf n VAL 203 Ca 0.11 -4.45 -0.55 0.00 -0.01 0.00 0.00 64.34 59.44 1klf n VAL 203 Cb 0.33 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.20 1klf n VAL 203 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1klf n MET 204 N 1.73 0.34 0.00 5.55 2.81 -1.26 -3.46 117.12 122.82 1klf n MET 204 Ca 0.25 0.12 0.14 0.00 -1.81 0.00 0.00 57.70 56.41 1klf n MET 204 Cb 0.43 -1.55 0.61 0.00 -0.71 0.00 0.00 33.22 32.00 1klf n MET 204 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63