#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oum s THR 2 N 0.00 1.64 0.56 0.00 -4.23 -0.01 -4.97 115.64 108.62 1oum s THR 2 Ca 0.00 -1.63 0.25 0.00 -1.18 0.00 0.00 61.69 59.13 1oum s THR 2 Cb 0.00 -2.27 0.35 0.00 1.34 0.00 0.00 72.50 71.92 1oum s THR 2 CO 0.00 0.00 2.10 -0.65 -0.54 0.00 0.00 174.62 175.53 1oum h PRO 3 N 0.97 0.00 0.00 3.99 0.11 -2.01 -3.10 132.00 131.96 1oum h PRO 3 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1oum h PRO 3 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1oum h PRO 3 CO 0.63 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.14 1oum n HIS 4 N -4.15 0.00 -3.73 0.65 8.25 -1.26 -4.97 115.22 110.01 1oum n HIS 4 Ca 0.02 -0.17 -0.26 0.00 -0.26 0.00 0.00 57.72 57.06 1oum n HIS 4 Cb 0.32 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.24 1oum n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1oum s ILE 5 N -0.33 0.39 -1.19 1.59 1.01 -1.17 -4.67 121.20 116.83 1oum s ILE 5 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 1oum s ILE 5 Cb 0.00 -0.79 0.20 0.00 0.01 0.00 0.00 42.46 41.88 1oum s ILE 5 CO 0.00 -0.05 1.38 -3.20 0.00 0.00 0.00 174.94 173.08 1oum n ASN 6 N 5.11 5.33 -3.25 3.58 4.05 -1.26 -0.83 115.26 127.99 1oum n ASN 6 Ca -0.08 -3.01 -0.15 0.00 0.45 0.00 0.00 54.58 51.79 1oum n ASN 6 Cb 0.48 -1.51 -0.04 0.00 1.23 0.00 0.00 39.78 39.94 1oum n ASN 6 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1oum s ALA 7 N 0.65 0.79 0.10 5.20 0.00 -1.26 -4.61 121.76 122.62 1oum s ALA 7 Ca 0.39 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.89 1oum s ALA 7 Cb -0.04 1.16 -0.03 0.00 0.00 0.00 0.00 23.12 24.21 1oum s ALA 7 CO -0.02 -0.79 -0.17 -2.00 0.00 0.00 0.00 175.76 172.79 1oum s GLU 8 N -3.06 1.01 0.06 0.00 2.12 -1.26 -0.77 118.70 116.80 1oum s GLU 8 Ca 0.31 -1.14 -0.37 0.00 0.36 0.00 0.00 54.97 54.13 1oum s GLU 8 Cb -0.00 -1.09 -0.17 0.00 0.26 0.00 0.00 34.13 33.13 1oum s GLU 8 CO 0.20 0.24 1.33 -0.12 -0.54 0.00 0.00 175.26 176.37 1oum n MET 9 N 0.94 1.02 0.00 4.30 0.00 -1.26 -0.35 117.12 121.77 1oum n MET 9 Ca -0.19 0.37 0.00 0.00 -0.00 0.00 0.00 57.70 57.88 1oum n MET 9 Cb 0.55 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.77 1oum n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1oum n GLY 10 N 2.47 3.05 0.22 -5.12 0.00 -1.26 -4.91 105.19 99.64 1oum n GLY 10 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1oum n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1oum h ASP 11 N 0.06 0.00 -3.23 1.61 3.32 -1.05 -3.44 116.42 113.68 1oum h ASP 11 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1oum h ASP 11 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 1oum h ASP 11 CO 0.00 0.20 -0.64 -0.36 -1.72 0.00 0.00 179.24 176.72 1oum s PHE 12 N -3.56 3.03 0.90 4.55 0.40 -1.26 -4.70 117.98 117.33 1oum s PHE 12 Ca 0.01 -0.01 -0.13 0.00 -0.60 0.00 0.00 56.93 56.20 1oum s PHE 12 Cb 0.09 -1.54 0.13 0.00 0.51 0.00 0.00 43.02 42.22 1oum s PHE 12 CO 0.64 0.49 1.17 0.00 0.70 0.00 0.00 175.22 178.22 1oum s ALA 13 N -1.39 2.06 -1.83 5.36 0.00 -1.26 -4.93 121.76 119.76 1oum s ALA 13 Ca 0.27 -0.65 0.30 0.00 0.00 0.00 0.00 51.96 51.87 1oum s ALA 13 Cb -0.11 -2.98 1.69 0.00 0.00 0.00 0.00 23.12 21.72 1oum s ALA 13 CO 0.19 -2.16 2.09 -0.40 0.00 0.00 0.00 175.76 175.48 1oum n ASP 14 N -3.66 0.00 -3.87 0.00 5.68 -1.26 -4.61 116.55 108.83 1oum n ASP 14 Ca 0.08 -0.70 -0.19 0.00 -0.50 0.00 0.00 54.79 53.49 1oum n ASP 14 Cb 0.60 -0.08 -0.16 0.00 -1.14 0.00 0.00 41.12 40.33 1oum n ASP 14 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1oum s VAL 15 N -2.17 0.39 -0.08 2.12 0.11 -1.26 0.13 120.40 119.65 1oum s VAL 15 Ca 0.40 -0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.43 1oum s VAL 15 Cb 0.20 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1oum s VAL 15 CO 0.37 0.19 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.49 1oum s VAL 16 N 0.91 1.37 -0.01 2.04 1.01 -0.11 -2.83 120.40 122.78 1oum s VAL 16 Ca -0.11 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 1oum s VAL 16 Cb -0.14 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1oum s VAL 16 CO -0.00 0.41 0.57 -0.76 0.00 0.00 0.00 175.10 175.31 1oum s LEU 17 N 0.62 4.42 -0.21 3.92 1.02 -0.08 -1.16 118.68 127.22 1oum s LEU 17 Ca -0.15 1.13 -0.03 0.00 0.02 0.00 0.00 54.13 55.10 1oum s LEU 17 Cb -0.16 -2.88 0.06 0.00 0.02 0.00 0.00 46.19 43.24 1oum s LEU 17 CO 0.04 0.13 0.04 -0.04 0.02 0.00 0.00 176.35 176.54 1oum s MET 18 N -0.27 0.65 0.56 1.70 -1.94 0.48 -1.56 119.30 118.92 1oum s MET 18 Ca 0.30 -0.49 -0.00 0.00 -1.71 0.00 0.00 55.69 53.79 1oum s MET 18 Cb -0.18 -2.08 0.03 0.00 2.01 0.00 0.00 34.83 34.61 1oum s MET 18 CO 0.16 -0.68 0.80 -1.25 -0.01 0.00 0.00 175.02 174.04 1oum s PRO 19 N 1.84 2.59 0.08 2.03 0.04 -1.24 -1.58 135.00 138.76 1oum s PRO 19 Ca 0.00 -0.63 -0.03 0.00 0.04 0.00 0.00 61.00 60.38 1oum s PRO 19 Cb -0.17 -2.44 -0.26 0.00 0.04 0.00 0.00 34.50 31.67 1oum s PRO 19 CO -0.10 -0.72 1.17 0.78 0.04 0.00 0.00 177.00 178.16 1oum h GLY 20 N 0.02 0.30 -5.69 0.56 0.00 -1.83 -1.71 103.07 94.71 1oum h GLY 20 Ca -0.43 -0.73 -0.59 0.00 0.00 0.00 0.00 47.33 45.58 1oum h GLY 20 CO 0.54 0.64 0.62 -0.35 0.00 0.00 0.00 176.54 177.99 1oum s ASP 21 N -7.11 6.88 0.31 0.19 2.15 -1.26 -2.16 116.67 115.68 1oum s ASP 21 Ca -0.04 1.04 0.01 0.00 0.43 0.00 0.00 52.55 54.00 1oum s ASP 21 Cb 0.07 -2.48 0.56 0.00 -0.30 0.00 0.00 42.92 40.78 1oum s ASP 21 CO 0.88 -0.66 1.93 -0.65 -0.17 0.00 0.00 175.17 176.51 1oum h PRO 22 N 7.81 0.96 0.00 4.34 0.11 -1.88 -0.98 132.00 142.35 1oum h PRO 22 Ca -0.22 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 1oum h PRO 22 Cb 1.08 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1oum h PRO 22 CO 0.94 0.63 -0.26 -0.07 -0.21 0.00 0.00 178.00 179.03 1oum h LEU 23 N 0.99 0.00 -0.44 2.35 3.38 -1.92 -1.95 115.31 117.72 1oum h LEU 23 Ca 0.35 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.15 1oum h LEU 23 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1oum h LEU 23 CO -0.12 0.26 -0.77 -0.09 0.09 0.00 0.00 178.44 177.82 1oum h ARG 24 N 0.00 0.17 -0.30 1.13 2.43 -1.60 -1.85 114.38 114.36 1oum h ARG 24 Ca -0.00 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1oum h ARG 24 Cb 0.55 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1oum h ARG 24 CO 0.03 0.86 -0.15 0.00 -1.51 0.00 0.00 179.97 179.20 1oum h ALA 25 N 1.09 1.19 -0.28 2.80 0.00 -0.98 -0.52 119.26 122.56 1oum h ALA 25 Ca -0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1oum h ALA 25 Cb 1.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1oum h ALA 25 CO 0.11 0.52 -0.01 -0.22 0.00 0.00 0.00 179.25 179.65 1oum h LYS 26 N 0.48 0.51 -0.55 0.00 3.64 -1.14 -1.74 116.57 117.78 1oum h LYS 26 Ca 0.08 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1oum h LYS 26 Cb 0.54 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1oum h LYS 26 CO 0.03 0.68 0.33 -0.92 -2.27 0.00 0.00 179.45 177.30 1oum h TYR 27 N 0.29 0.72 -0.41 1.91 5.03 -0.95 -1.88 116.97 121.69 1oum h TYR 27 Ca 0.08 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 1oum h TYR 27 Cb 0.45 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.48 1oum h TYR 27 CO 0.04 0.50 0.24 0.82 -1.32 0.00 0.00 178.16 178.44 1oum h ILE 28 N 0.74 1.13 -0.40 1.81 2.04 -0.99 -0.02 117.51 121.81 1oum h ILE 28 Ca 0.20 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1oum h ILE 28 Cb -0.01 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1oum h ILE 28 CO -0.04 0.13 0.24 0.00 0.00 0.00 0.00 178.15 178.49 1oum h ALA 29 N 1.11 0.50 0.00 1.87 0.00 -1.09 0.67 119.26 122.33 1oum h ALA 29 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1oum h ALA 29 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1oum h ALA 29 CO -0.03 -0.00 -0.39 0.93 0.00 0.00 0.00 179.25 179.76 1oum h GLU 30 N 0.52 0.00 0.02 0.00 5.08 -1.16 -2.67 114.58 116.37 1oum h GLU 30 Ca 0.14 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.15 1oum h GLU 30 Cb -0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1oum h GLU 30 CO -0.03 0.39 -2.17 2.41 -1.00 0.00 0.00 179.01 178.61 1oum n THR 31 N -3.51 1.52 0.08 1.13 -1.04 -0.04 -4.71 114.28 107.71 1oum n THR 31 Ca -0.00 -0.76 0.02 0.00 -2.04 0.00 0.00 64.05 61.27 1oum n THR 31 Cb 0.53 -0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 68.05 1oum n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1oum n PHE 32 N -3.02 0.00 -4.15 -1.42 3.01 0.21 -5.04 117.46 107.05 1oum n PHE 32 Ca -0.31 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.83 1oum n PHE 32 Cb 1.09 -0.07 -0.08 0.00 -0.01 0.00 0.00 39.48 40.41 1oum n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1oum s LEU 33 N -2.94 3.70 -0.09 4.37 1.43 -1.01 -4.68 118.68 119.46 1oum s LEU 33 Ca -0.01 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1oum s LEU 33 Cb 0.03 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1oum s LEU 33 CO 0.20 0.24 0.09 -1.61 0.23 0.00 0.00 176.35 175.51 1oum s GLU 34 N -1.90 3.25 -1.39 1.70 2.02 0.63 -4.40 118.70 118.62 1oum s GLU 34 Ca 0.24 -0.27 -0.05 0.00 0.02 0.00 0.00 54.97 54.90 1oum s GLU 34 Cb -0.12 -3.02 0.01 0.00 0.10 0.00 0.00 34.13 31.10 1oum s GLU 34 CO 0.15 0.73 0.70 -0.25 0.02 0.00 0.00 175.26 176.61 1oum n ASP 35 N 1.85 -5.85 -4.73 -0.19 9.92 -1.26 -1.57 116.55 114.72 1oum n ASP 35 Ca -0.18 -0.32 -0.42 0.00 -0.53 0.00 0.00 54.79 53.34 1oum n ASP 35 Cb 0.54 -4.62 -0.03 0.00 -0.64 0.00 0.00 41.12 36.37 1oum n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1oum n ALA 36 N -3.78 2.79 -3.42 2.24 0.00 -1.26 -4.65 120.51 112.43 1oum n ALA 36 Ca -0.08 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.52 1oum n ALA 36 Cb 0.60 -2.51 -0.16 0.00 0.00 0.00 0.00 19.45 17.37 1oum n ALA 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1oum s ARG 37 N 0.78 1.51 0.05 0.00 3.52 -0.79 -4.96 118.95 119.06 1oum s ARG 37 Ca 0.72 -0.37 -0.31 0.00 -0.13 0.00 0.00 55.73 55.65 1oum s ARG 37 Cb -0.50 -1.28 -0.06 0.00 -1.56 0.00 0.00 34.95 31.54 1oum s ARG 37 CO 0.36 0.03 1.31 -2.00 -0.81 0.00 0.00 175.30 174.19 1oum s GLU 38 N 0.63 4.35 0.00 5.12 2.12 -1.26 -1.53 118.70 128.13 1oum s GLU 38 Ca -0.13 1.91 0.05 0.00 0.36 0.00 0.00 54.97 57.16 1oum s GLU 38 Cb -0.15 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1oum s GLU 38 CO 0.03 -0.41 0.46 1.33 -0.54 0.00 0.00 175.26 176.12 1oum n VAL 39 N 4.17 0.00 -3.59 3.70 0.24 0.17 -4.96 118.33 118.06 1oum n VAL 39 Ca 0.11 -0.46 -0.15 0.00 -2.04 0.00 0.00 64.34 61.80 1oum n VAL 39 Cb 0.44 1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.80 1oum n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1oum s ASN 40 N -0.81 -0.70 0.00 -1.34 2.47 -1.16 -4.36 114.94 109.04 1oum s ASN 40 Ca 0.04 1.14 0.00 0.00 0.42 0.00 0.00 52.86 54.46 1oum s ASN 40 Cb 0.04 1.09 0.00 0.00 -1.45 0.00 0.00 41.25 40.93 1oum s ASN 40 CO 0.11 -0.38 0.31 -0.46 -3.72 0.00 0.00 177.10 172.95 1oum n ASN 41 N 2.02 0.00 -4.73 -4.21 6.94 -1.26 -1.55 115.26 112.47 1oum n ASN 41 Ca -0.16 -1.00 -0.42 0.00 -0.02 0.00 0.00 54.58 52.98 1oum n ASN 41 Cb 0.56 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.96 1oum n ASN 41 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1oum n VAL 42 N 0.00 0.71 -1.30 3.53 0.31 -1.26 -0.73 118.33 119.59 1oum n VAL 42 Ca 0.00 -0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 64.03 1oum n VAL 42 Cb 0.46 -1.93 -0.05 0.00 -0.91 0.00 0.00 33.84 31.41 1oum n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1oum n ARG 43 N 2.68 -1.56 -1.00 5.55 1.74 -1.26 -0.92 116.66 121.88 1oum n ARG 43 Ca 0.11 0.83 -0.00 0.00 -0.77 0.00 0.00 57.85 58.02 1oum n ARG 43 Cb 0.36 -5.10 -0.00 0.00 -1.02 0.00 0.00 32.46 26.70 1oum n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1oum n GLY 44 N 0.02 0.38 3.01 -0.13 0.00 0.09 -4.93 105.19 103.63 1oum n GLY 44 Ca -0.12 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1oum n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1oum n MET 45 N -1.98 3.21 -1.64 1.61 0.00 -0.10 -4.85 117.12 113.37 1oum n MET 45 Ca -0.00 -3.15 -0.54 0.00 0.00 0.00 0.00 57.70 54.00 1oum n MET 45 Cb 0.13 -3.18 -0.07 0.00 0.00 0.00 0.00 33.22 30.10 1oum n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1oum n LEU 46 N 5.75 1.94 -4.18 -0.89 4.77 -1.25 -4.41 117.00 118.72 1oum n LEU 46 Ca 0.46 1.10 -0.26 0.00 -0.03 0.00 0.00 56.01 57.28 1oum n LEU 46 Cb 0.40 -1.17 -0.16 0.00 -2.33 0.00 0.00 43.42 40.17 1oum n LEU 46 CO 0.82 -0.80 -0.51 -0.83 -1.33 0.00 0.00 177.39 174.74 1oum s GLY 47 N 1.78 0.95 0.07 -0.72 0.00 -0.59 -2.77 107.32 106.04 1oum s GLY 47 Ca 0.90 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.86 1oum s GLY 47 CO 0.55 -0.59 -0.10 -1.36 0.00 0.00 0.00 173.10 171.61 1oum s PHE 48 N -0.29 0.93 -0.05 1.90 0.08 0.16 0.42 117.98 121.13 1oum s PHE 48 Ca 0.04 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.51 1oum s PHE 48 Cb -0.09 -0.53 0.02 0.00 -0.57 0.00 0.00 43.02 41.85 1oum s PHE 48 CO 0.00 -0.04 -0.06 0.99 -0.10 0.00 0.00 175.22 176.02 1oum s THR 49 N -1.97 0.62 0.00 0.64 2.01 -0.58 -0.16 115.64 116.20 1oum s THR 49 Ca -0.01 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1oum s THR 49 Cb -0.06 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.83 1oum s THR 49 CO 0.00 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 1oum n GLY 50 N 3.98 3.92 3.21 4.40 0.00 0.16 -1.89 105.19 118.96 1oum n GLY 50 Ca -0.25 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 1oum n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oum s THR 51 N -1.31 1.55 -0.24 2.61 2.01 -0.61 -0.21 115.64 119.45 1oum s THR 51 Ca 0.00 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 1oum s THR 51 Cb 0.00 -1.31 0.07 0.00 0.01 0.00 0.00 72.50 71.27 1oum s THR 51 CO 0.00 0.34 0.03 -0.47 -0.69 0.00 0.00 174.62 173.83 1oum s TYR 52 N -0.58 1.69 -1.44 4.92 6.14 -0.04 -0.27 117.35 127.78 1oum s TYR 52 Ca 0.07 -1.43 -0.10 0.00 0.64 0.00 0.00 57.07 56.26 1oum s TYR 52 Cb -0.08 -1.44 0.06 0.00 0.42 0.00 0.00 41.96 40.93 1oum s TYR 52 CO 0.00 -0.74 0.69 1.63 0.64 0.00 0.00 175.55 177.77 1oum n LYS 53 N 4.86 -4.54 0.00 4.97 5.02 -1.26 -1.25 118.16 125.96 1oum n LYS 53 Ca -0.07 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1oum n LYS 53 Cb 0.45 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 30.02 1oum n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oum n GLY 54 N -1.44 3.13 3.70 0.72 0.00 -1.26 -5.04 105.19 105.00 1oum n GLY 54 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1oum n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oum s ARG 55 N -0.39 4.47 0.06 1.61 1.81 -0.38 -4.97 118.95 121.15 1oum s ARG 55 Ca 0.00 1.53 -0.31 0.00 -1.72 0.00 0.00 55.73 55.23 1oum s ARG 55 Cb 0.00 -3.47 -0.07 0.00 -0.45 0.00 0.00 34.95 30.96 1oum s ARG 55 CO 0.00 -0.22 1.46 0.21 -0.68 0.00 0.00 175.30 176.07 1oum s LYS 56 N 1.44 4.28 0.02 3.54 2.20 -1.26 -0.86 119.74 129.10 1oum s LYS 56 Ca 0.53 2.09 0.01 0.00 -0.36 0.00 0.00 55.97 58.24 1oum s LYS 56 Cb -0.23 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1oum s LYS 56 CO 0.25 -0.56 -0.04 0.42 -0.36 0.00 0.00 175.35 175.06 1oum s ILE 57 N 1.95 0.22 0.20 5.43 -1.09 0.71 -4.71 121.20 123.91 1oum s ILE 57 Ca 0.66 -0.84 0.10 0.00 -2.23 0.00 0.00 60.65 58.34 1oum s ILE 57 Cb -0.35 -0.33 -0.04 0.00 -1.58 0.00 0.00 42.46 40.15 1oum s ILE 57 CO 0.29 -0.40 -0.21 -0.44 -1.23 0.00 0.00 174.94 172.96 1oum s SER 58 N -1.30 3.15 -0.10 3.58 0.01 -1.13 0.36 113.70 118.27 1oum s SER 58 Ca -0.12 -0.91 -0.04 0.00 1.31 0.00 0.00 55.95 56.19 1oum s SER 58 Cb -0.09 -0.22 0.05 0.00 0.21 0.00 0.00 66.02 65.97 1oum s SER 58 CO -0.01 0.03 0.22 0.54 0.41 0.00 0.00 173.24 174.44 1oum s VAL 59 N -2.05 -0.09 -0.13 3.43 0.11 0.78 -0.90 120.40 121.55 1oum s VAL 59 Ca 0.21 0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 59.26 1oum s VAL 59 Cb -0.06 -0.35 0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1oum s VAL 59 CO 0.10 0.07 0.46 -0.32 -3.33 0.00 0.00 175.10 172.08 1oum s MET 60 N 1.40 0.63 0.66 1.54 0.00 -0.60 0.37 119.30 123.30 1oum s MET 60 Ca -0.08 0.42 -0.14 0.00 0.00 0.00 0.00 55.69 55.89 1oum s MET 60 Cb -0.11 0.30 -0.00 0.00 0.00 0.00 0.00 34.83 35.02 1oum s MET 60 CO -0.08 -0.12 1.09 0.20 0.00 0.00 0.00 175.02 176.11 1oum s GLY 61 N -0.26 2.02 0.00 2.11 0.00 -1.12 -3.64 107.32 106.44 1oum s GLY 61 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1oum s GLY 61 CO 0.02 0.74 0.46 -2.39 0.00 0.00 0.00 173.10 171.93 1oum n HIS 62 N -2.54 0.00 0.00 1.90 1.44 -0.64 -4.89 115.22 110.49 1oum n HIS 62 Ca 0.09 -0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1oum n HIS 62 Cb 0.53 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1oum n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1oum n GLY 63 N -0.02 -1.40 3.78 -1.39 0.00 -0.92 -2.46 105.19 102.79 1oum n GLY 63 Ca 0.00 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 1oum n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oum s VAL 64 N -1.21 5.20 0.00 1.61 1.01 -1.26 -4.61 120.40 121.13 1oum s VAL 64 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1oum s VAL 64 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1oum s VAL 64 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1oum n GLY 65 N 2.71 0.82 0.20 4.51 0.00 -1.25 -4.38 105.19 107.80 1oum n GLY 65 Ca -0.12 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.22 1oum n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1oum h ILE 66 N 0.00 0.83 -0.95 -0.61 2.04 -1.67 -2.24 117.51 114.91 1oum h ILE 66 Ca 0.00 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1oum h ILE 66 Cb 0.00 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 1oum h ILE 66 CO 0.00 0.06 0.62 -0.65 0.00 0.00 0.00 178.15 178.18 1oum h PRO 67 N 0.35 1.10 0.31 2.37 0.11 -1.90 -0.44 132.00 133.90 1oum h PRO 67 Ca 0.24 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1oum h PRO 67 Cb 0.26 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1oum h PRO 67 CO -0.25 0.73 -0.15 1.03 -0.21 0.00 0.00 178.00 179.15 1oum h SER 68 N 1.13 -0.35 0.41 -2.05 0.87 -1.67 -3.18 113.55 108.71 1oum h SER 68 Ca 0.39 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1oum h SER 68 Cb 0.11 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1oum h SER 68 CO -0.14 0.09 -0.16 0.00 -0.53 0.00 0.00 176.83 176.09 1oum h SER 70 N 0.00 1.08 0.31 0.00 0.02 -1.11 -1.25 113.55 112.61 1oum h SER 70 Ca -0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1oum h SER 70 Cb 0.41 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1oum h SER 70 CO 0.02 0.91 -0.15 0.40 -1.14 0.00 0.00 176.83 176.87 1oum h ILE 71 N 1.19 0.71 -0.26 3.27 2.04 -1.44 -2.20 117.51 120.83 1oum h ILE 71 Ca 0.29 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1oum h ILE 71 Cb 0.10 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1oum h ILE 71 CO -0.04 0.07 0.08 1.88 0.00 0.00 0.00 178.15 180.15 1oum h TYR 72 N -0.61 0.41 -0.88 1.37 0.05 -1.46 -1.93 116.97 113.91 1oum h TYR 72 Ca -0.04 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 1oum h TYR 72 Cb 0.44 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 1oum h TYR 72 CO -0.01 0.45 0.46 1.79 -1.05 0.00 0.00 178.16 179.81 1oum h THR 73 N 0.25 1.26 0.39 -2.88 1.35 -1.31 -1.58 112.91 110.40 1oum h THR 73 Ca 0.08 -0.68 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 1oum h THR 73 Cb 0.23 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 1oum h THR 73 CO -0.00 0.30 -0.19 0.50 -0.25 0.00 0.00 175.52 175.88 1oum h LYS 74 N 1.24 -0.51 -0.89 4.72 3.11 -1.25 -1.75 116.57 121.25 1oum h LYS 74 Ca 0.31 0.03 0.03 0.00 -2.81 0.00 0.00 60.65 58.21 1oum h LYS 74 Cb 0.06 0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 31.36 1oum h LYS 74 CO -0.05 -0.30 0.59 0.93 -2.81 0.00 0.00 179.45 177.81 1oum h GLU 75 N -0.59 1.10 -0.45 1.90 5.08 -1.22 -0.51 114.58 119.89 1oum h GLU 75 Ca -0.05 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1oum h GLU 75 Cb 0.44 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1oum h GLU 75 CO 0.09 0.73 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.75 1oum h LEU 76 N 1.13 0.70 -0.11 1.33 3.38 -1.13 -1.26 115.31 119.33 1oum h LEU 76 Ca 0.35 -0.16 -0.24 0.00 0.09 0.00 0.00 57.88 57.92 1oum h LEU 76 Cb 0.00 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.57 1oum h LEU 76 CO -0.10 0.77 -0.99 0.40 0.09 0.00 0.00 178.44 178.61 1oum h ILE 77 N 0.69 1.38 0.00 1.22 2.04 -0.37 -2.62 117.51 119.85 1oum h ILE 77 Ca 0.14 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.55 1oum h ILE 77 Cb 0.43 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1oum h ILE 77 CO 0.02 0.74 -1.08 0.35 0.00 0.00 0.00 178.15 178.17 1oum n THR 78 N -3.75 0.46 0.00 -0.27 -2.24 -0.29 -4.39 114.28 103.79 1oum n THR 78 Ca -0.08 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1oum n THR 78 Cb 0.86 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1oum n THR 78 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1oum n ASP 79 N -2.47 0.27 -0.17 3.42 9.92 -0.48 -4.82 116.55 122.21 1oum n ASP 79 Ca 0.00 -0.35 0.07 0.00 -0.53 0.00 0.00 54.79 53.98 1oum n ASP 79 Cb 0.52 0.76 0.10 0.00 -0.64 0.00 0.00 41.12 41.87 1oum n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1oum n PHE 80 N -0.79 0.00 -2.04 1.24 3.01 -1.02 -4.41 117.46 113.45 1oum n PHE 80 Ca 0.00 -0.74 -0.20 0.00 1.01 0.00 0.00 57.45 57.52 1oum n PHE 80 Cb 0.00 -0.12 -0.04 0.00 -0.01 0.00 0.00 39.48 39.31 1oum n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1oum n GLY 81 N -1.06 0.55 3.68 1.37 0.00 -1.23 -4.59 105.19 103.91 1oum n GLY 81 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1oum n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oum s VAL 82 N -2.86 4.38 -0.18 1.61 1.01 -1.03 -4.61 120.40 118.72 1oum s VAL 82 Ca 0.00 1.68 0.15 0.00 0.00 0.00 0.00 61.98 63.81 1oum s VAL 82 Cb 0.00 -4.08 -0.24 0.00 0.00 0.00 0.00 36.38 32.06 1oum s VAL 82 CO 0.00 -0.05 0.16 0.29 0.00 0.00 0.00 175.10 175.50 1oum n LYS 83 N 5.59 0.68 -4.32 2.72 4.76 0.12 -4.52 118.16 123.19 1oum n LYS 83 Ca 0.11 0.07 -0.21 0.00 -2.87 0.00 0.00 58.31 55.41 1oum n LYS 83 Cb 0.46 -1.57 -0.16 0.00 -1.84 0.00 0.00 35.03 31.92 1oum n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1oum s LYS 84 N -2.51 1.02 -0.14 1.97 1.02 -0.53 -1.36 119.74 119.21 1oum s LYS 84 Ca -0.12 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.64 1oum s LYS 84 Cb 0.07 -0.94 -0.01 0.00 -0.52 0.00 0.00 37.83 36.43 1oum s LYS 84 CO 0.81 0.01 -0.15 0.42 -0.92 0.00 0.00 175.35 175.52 1oum s ILE 85 N 0.57 2.79 -0.30 2.17 -1.09 -0.17 -0.94 121.20 124.23 1oum s ILE 85 Ca -0.09 -0.74 0.03 0.00 -2.23 0.00 0.00 60.65 57.61 1oum s ILE 85 Cb -0.12 -2.16 0.09 0.00 -1.58 0.00 0.00 42.46 38.68 1oum s ILE 85 CO 0.01 0.52 0.01 -0.63 -1.23 0.00 0.00 174.94 173.62 1oum s ILE 86 N 0.53 1.94 0.04 2.92 1.01 -0.31 -1.03 121.20 126.31 1oum s ILE 86 Ca -0.10 -1.89 -0.30 0.00 0.00 0.00 0.00 60.65 58.36 1oum s ILE 86 Cb -0.16 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 1oum s ILE 86 CO 0.04 -0.41 1.13 -0.60 0.00 0.00 0.00 174.94 175.10 1oum s ARG 87 N 1.12 4.47 -0.42 2.79 3.52 0.58 -0.38 118.95 130.63 1oum s ARG 87 Ca 0.04 1.66 0.04 0.00 -0.13 0.00 0.00 55.73 57.33 1oum s ARG 87 Cb -0.19 -3.38 0.11 0.00 -1.56 0.00 0.00 34.95 29.93 1oum s ARG 87 CO -0.09 -0.19 0.15 0.14 -0.81 0.00 0.00 175.30 174.50 1oum s VAL 88 N 1.03 2.24 0.00 7.11 -7.23 -0.61 -0.55 120.40 122.39 1oum s VAL 88 Ca 0.56 -2.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1oum s VAL 88 Cb -0.27 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1oum s VAL 88 CO 0.29 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 1oum n GLY 89 N 3.77 6.80 3.67 2.32 0.00 -0.70 -3.90 105.19 117.15 1oum n GLY 89 Ca 0.04 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 1oum n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oum s SER 90 N 0.89 4.26 0.13 1.61 1.04 -1.26 -1.23 113.70 119.14 1oum s SER 90 Ca 0.00 -1.05 -0.22 0.00 0.48 0.00 0.00 55.95 55.15 1oum s SER 90 Cb 0.00 -0.51 0.06 0.00 0.10 0.00 0.00 66.02 65.67 1oum s SER 90 CO 0.00 -0.38 0.56 0.00 0.98 0.00 0.00 173.24 174.41 1oum s GLY 92 N -2.60 2.08 0.25 0.00 0.00 0.44 0.14 107.32 107.64 1oum s GLY 92 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 44.72 43.91 1oum s GLY 92 CO -0.10 0.03 0.66 0.00 0.00 0.00 0.00 173.10 173.68 1oum s ALA 93 N -0.00 3.44 0.00 3.20 0.00 -0.17 0.61 121.76 128.84 1oum s ALA 93 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1oum s ALA 93 Cb -0.11 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1oum s ALA 93 CO 0.00 0.39 0.00 1.55 0.00 0.00 0.00 175.76 177.70 1oum n VAL 94 N 0.16 0.00 -2.95 0.00 3.14 -1.26 -1.05 118.33 116.36 1oum n VAL 94 Ca -0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 1oum n VAL 94 Cb 0.52 -0.05 -0.06 0.00 -1.06 0.00 0.00 33.84 33.19 1oum n VAL 94 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1oum s LEU 95 N -2.95 4.36 0.20 6.55 1.43 -1.26 -4.87 118.68 122.15 1oum s LEU 95 Ca 0.00 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 1oum s LEU 95 Cb 0.00 -3.75 0.20 0.00 0.03 0.00 0.00 46.19 42.68 1oum s LEU 95 CO 0.00 0.00 1.80 -0.65 0.23 0.00 0.00 176.35 177.73 1oum h PRO 96 N 3.39 0.59 0.00 1.29 0.11 -1.99 -2.74 132.00 132.64 1oum h PRO 96 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1oum h PRO 96 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1oum h PRO 96 CO 0.65 0.39 0.00 -2.39 -0.21 0.00 0.00 178.00 176.44 1oum n HIS 97 N -4.83 0.00 -3.63 0.65 1.44 -1.26 -4.73 115.22 102.86 1oum n HIS 97 Ca 0.07 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.41 1oum n HIS 97 Cb 0.16 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.17 1oum n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1oum s VAL 98 N -2.00 5.32 0.37 0.61 1.01 -1.04 -5.08 120.40 119.59 1oum s VAL 98 Ca 0.21 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.45 1oum s VAL 98 Cb 0.10 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1oum s VAL 98 CO 0.16 0.30 0.05 -1.59 0.00 0.00 0.00 175.10 174.03 1oum s LYS 99 N 1.40 2.09 0.32 2.72 0.00 -1.26 -4.88 119.74 120.13 1oum s LYS 99 Ca 0.07 -1.84 -0.27 0.00 0.00 0.00 0.00 55.97 53.92 1oum s LYS 99 Cb -0.15 -1.88 -0.13 0.00 0.00 0.00 0.00 37.83 35.67 1oum s LYS 99 CO 0.08 0.03 1.04 1.28 0.00 0.00 0.00 175.35 177.78 1oum n LEU 100 N -1.03 2.13 0.00 2.77 4.32 -1.26 -1.98 117.00 121.95 1oum n LEU 100 Ca -0.03 1.16 0.00 0.00 -0.02 0.00 0.00 56.01 57.11 1oum n LEU 100 Cb 0.64 -1.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 1oum n LEU 100 CO 0.45 -1.31 0.00 0.54 -1.22 0.00 0.00 177.39 175.85 1oum n ARG 101 N 0.61 -0.67 -2.58 3.23 1.74 -0.15 -4.93 116.66 113.90 1oum n ARG 101 Ca 0.09 0.17 -0.38 0.00 -0.77 0.00 0.00 57.85 56.96 1oum n ARG 101 Cb 0.34 -3.68 -0.05 0.00 -1.02 0.00 0.00 32.46 28.06 1oum n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1oum s ASP 102 N -2.03 7.04 -0.18 0.55 1.01 -0.84 -4.71 116.67 117.52 1oum s ASP 102 Ca 0.00 2.05 -0.13 0.00 0.71 0.00 0.00 52.55 55.18 1oum s ASP 102 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1oum s ASP 102 CO 0.00 -0.29 0.26 -0.69 0.21 0.00 0.00 175.17 174.66 1oum s VAL 103 N -1.50 5.32 -0.02 -1.27 1.01 -1.26 -1.33 120.40 121.34 1oum s VAL 103 Ca 0.52 0.46 0.07 0.00 0.00 0.00 0.00 61.98 63.03 1oum s VAL 103 Cb -0.24 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1oum s VAL 103 CO 0.30 0.37 -0.23 0.68 0.00 0.00 0.00 175.10 176.22 1oum s VAL 104 N 0.63 1.85 -0.22 2.92 -7.23 0.15 -1.75 120.40 116.76 1oum s VAL 104 Ca 0.14 -1.00 -0.04 0.00 -1.81 0.00 0.00 61.98 59.28 1oum s VAL 104 Cb -0.13 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 1oum s VAL 104 CO 0.03 0.52 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.67 1oum s ILE 105 N -0.49 3.34 -0.62 -0.62 1.09 0.10 -0.61 121.20 123.39 1oum s ILE 105 Ca 0.07 -0.53 -0.20 0.00 -1.10 0.00 0.00 60.65 58.89 1oum s ILE 105 Cb -0.10 -2.53 0.09 0.00 -1.06 0.00 0.00 42.46 38.87 1oum s ILE 105 CO -0.00 0.40 0.81 -0.83 -0.10 0.00 0.00 174.94 175.22 1oum s GLY 106 N 1.47 1.63 0.46 6.18 0.00 -0.76 -1.69 107.32 114.62 1oum s GLY 106 Ca 0.05 -2.10 0.26 0.00 0.00 0.00 0.00 44.72 42.93 1oum s GLY 106 CO -0.03 1.76 1.72 0.00 0.00 0.00 0.00 173.10 176.55 1oum h MET 107 N 9.31 0.00 -4.48 2.90 -0.00 -1.50 -3.40 114.93 117.76 1oum h MET 107 Ca -0.28 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.22 1oum h MET 107 Cb 1.08 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.53 1oum h MET 107 CO 1.13 0.05 -0.67 0.20 -0.00 0.00 0.00 176.91 177.62 1oum s GLY 108 N -4.22 0.84 -0.14 -3.00 0.00 -1.15 -0.70 107.32 98.95 1oum s GLY 108 Ca 0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 1oum s GLY 108 CO 0.64 -1.40 0.24 0.00 0.00 0.00 0.00 173.10 172.58 1oum s ALA 109 N -3.86 -0.43 0.73 3.20 0.00 -0.04 -1.77 121.76 119.59 1oum s ALA 109 Ca 0.17 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.75 1oum s ALA 109 Cb 0.07 -1.08 0.06 0.00 0.00 0.00 0.00 23.12 22.18 1oum s ALA 109 CO -0.03 -0.78 1.06 0.00 0.00 0.00 0.00 175.76 176.02 1oum s THR 111 N -3.34 0.00 -0.64 0.00 -1.32 -1.26 0.16 115.64 109.24 1oum s THR 111 Ca 0.60 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.18 1oum s THR 111 Cb -0.11 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.17 1oum s THR 111 CO 0.46 0.00 1.23 -0.90 -2.21 0.00 0.00 174.62 173.21 1oum n ASP 112 N 0.01 2.90 -4.87 8.08 3.85 -1.19 -4.97 116.55 120.36 1oum n ASP 112 Ca -0.09 -2.18 -0.31 0.00 -0.71 0.00 0.00 54.79 51.50 1oum n ASP 112 Cb 0.61 -0.25 0.01 0.00 -1.35 0.00 0.00 41.12 40.14 1oum n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1oum s SER 113 N -1.20 6.20 0.00 -1.12 0.15 -1.26 -4.89 113.70 111.58 1oum s SER 113 Ca 0.22 1.44 0.20 0.00 0.70 0.00 0.00 55.95 58.51 1oum s SER 113 Cb 0.14 -2.47 0.11 0.00 -1.71 0.00 0.00 66.02 62.08 1oum s SER 113 CO 0.12 -0.89 1.08 1.17 1.20 0.00 0.00 173.24 175.91 1oum n LYS 114 N -2.73 1.69 -0.36 5.44 4.81 -1.26 -4.65 118.16 121.10 1oum n LYS 114 Ca 0.06 -1.45 0.05 0.00 -0.87 0.00 0.00 58.31 56.10 1oum n LYS 114 Cb 0.54 -1.38 0.22 0.00 0.02 0.00 0.00 35.03 34.43 1oum n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1oum h VAL 115 N 3.36 1.01 0.00 3.15 -1.51 -2.00 -1.45 116.25 118.82 1oum h VAL 115 Ca 0.00 -0.37 -0.17 0.00 -1.23 0.00 0.00 66.70 64.93 1oum h VAL 115 Cb 0.77 -0.16 -0.02 0.00 -2.13 0.00 0.00 31.29 29.75 1oum h VAL 115 CO 0.00 0.20 -0.81 0.78 -1.23 0.00 0.00 177.57 176.51 1oum h ASN 116 N 1.07 0.00 0.32 4.19 -0.26 -1.94 -2.70 115.58 116.26 1oum h ASN 116 Ca 0.45 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 56.09 1oum h ASN 116 Cb 0.32 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1oum h ASN 116 CO -0.21 0.81 -0.45 0.03 -1.06 0.00 0.00 177.43 176.56 1oum h ARG 117 N 0.00 0.16 -0.05 0.81 3.08 -1.66 0.16 114.38 116.88 1oum h ARG 117 Ca -0.01 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1oum h ARG 117 Cb 1.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 1oum h ARG 117 CO 0.11 0.58 -0.51 0.82 -1.07 0.00 0.00 179.97 179.90 1oum h ILE 118 N 0.13 1.36 0.02 2.04 2.04 -1.14 0.33 117.51 122.28 1oum h ILE 118 Ca 0.01 -1.75 -0.24 0.00 1.00 0.00 0.00 64.86 63.89 1oum h ILE 118 Cb 0.85 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 1oum h ILE 118 CO 0.07 0.51 -1.18 0.03 0.00 0.00 0.00 178.15 177.57 1oum h ARG 119 N 0.10 0.03 -0.87 2.37 3.08 -1.11 -3.38 114.38 114.60 1oum h ARG 119 Ca 0.00 -0.06 -0.61 0.00 0.07 0.00 0.00 59.98 59.39 1oum h ARG 119 Cb 0.93 0.02 -0.35 0.00 0.08 0.00 0.00 29.97 30.66 1oum h ARG 119 CO 0.07 0.93 0.11 0.34 -1.07 0.00 0.00 179.97 180.35 1oum n PHE 120 N -3.31 2.96 -3.47 3.04 7.35 0.53 -4.94 117.46 119.62 1oum n PHE 120 Ca -0.05 -2.63 -0.24 0.00 -0.76 0.00 0.00 57.45 53.77 1oum n PHE 120 Cb 0.97 -0.94 -0.01 0.00 0.35 0.00 0.00 39.48 39.85 1oum n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1oum n LYS 121 N -0.84 -3.16 -1.16 -4.13 5.02 -1.14 -1.12 118.16 111.64 1oum n LYS 121 Ca 0.54 0.41 -0.05 0.00 -2.02 0.00 0.00 58.31 57.19 1oum n LYS 121 Cb 0.82 -5.10 -0.02 0.00 -0.02 0.00 0.00 35.03 30.70 1oum n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1oum n ASP 122 N -2.28 -4.25 -2.86 4.39 4.64 0.11 -5.02 116.55 111.28 1oum n ASP 122 Ca 0.00 0.13 -0.06 0.00 -1.38 0.00 0.00 54.79 53.48 1oum n ASP 122 Cb 0.53 -2.22 0.03 0.00 -1.04 0.00 0.00 41.12 38.42 1oum n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1oum n HIS 123 N -2.64 -2.95 -3.19 -0.67 8.25 -0.27 -5.00 115.22 108.74 1oum n HIS 123 Ca -0.05 -0.61 -0.43 0.00 -0.26 0.00 0.00 57.72 56.36 1oum n HIS 123 Cb 0.28 -0.19 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 1oum n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oum s ASP 124 N -2.17 6.24 -0.26 0.41 -0.00 -1.26 -4.59 116.67 115.04 1oum s ASP 124 Ca 0.19 -0.75 -0.18 0.00 -0.00 0.00 0.00 52.55 51.81 1oum s ASP 124 Cb -0.01 -2.28 -0.03 0.00 -0.00 0.00 0.00 42.92 40.60 1oum s ASP 124 CO 0.13 -0.79 0.50 0.12 -0.00 0.00 0.00 175.17 175.12 1oum s PHE 125 N 2.53 3.27 -0.76 4.23 5.36 -1.26 -4.99 117.98 126.36 1oum s PHE 125 Ca 0.16 0.63 -0.26 0.00 -0.96 0.00 0.00 56.93 56.49 1oum s PHE 125 Cb -0.18 -2.70 0.00 0.00 -0.34 0.00 0.00 43.02 39.81 1oum s PHE 125 CO 0.14 -0.26 1.60 0.00 -1.46 0.00 0.00 175.22 175.24 1oum s ALA 126 N 2.21 2.39 -0.60 11.12 0.00 -1.26 -4.93 121.76 130.70 1oum s ALA 126 Ca 0.21 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 50.63 1oum s ALA 126 Cb -0.16 -4.36 -0.01 0.00 0.00 0.00 0.00 23.12 18.60 1oum s ALA 126 CO 0.09 -3.76 1.72 0.00 0.00 0.00 0.00 175.76 173.81 1oum s ALA 127 N 7.38 2.39 0.26 0.00 0.00 -1.26 -4.96 121.76 125.56 1oum s ALA 127 Ca 0.53 -0.69 0.11 0.00 0.00 0.00 0.00 51.96 51.91 1oum s ALA 127 Cb -0.08 -4.25 -0.05 0.00 0.00 0.00 0.00 23.12 18.74 1oum s ALA 127 CO 0.11 -3.60 -0.18 0.96 0.00 0.00 0.00 175.76 173.06 1oum s ILE 128 N 8.06 2.61 0.74 0.00 -4.36 -1.26 -0.86 121.20 126.12 1oum s ILE 128 Ca 0.62 -2.26 -0.09 0.00 -0.26 0.00 0.00 60.65 58.66 1oum s ILE 128 Cb -0.12 -2.35 0.06 0.00 1.25 0.00 0.00 42.46 41.30 1oum s ILE 128 CO 0.21 -0.34 1.07 0.00 0.24 0.00 0.00 174.94 176.13 1oum s ALA 129 N -2.31 2.98 -0.04 2.27 0.00 0.12 -4.86 121.76 119.92 1oum s ALA 129 Ca 0.28 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1oum s ALA 129 Cb -0.06 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1oum s ALA 129 CO 0.15 -1.41 1.15 0.34 0.00 0.00 0.00 175.76 175.98 1oum s ASP 130 N -4.53 7.12 0.16 0.00 -1.08 -0.94 -4.95 116.67 112.45 1oum s ASP 130 Ca 0.61 1.79 -0.18 0.00 -0.52 0.00 0.00 52.55 54.25 1oum s ASP 130 Cb -0.11 -2.56 0.07 0.00 -1.46 0.00 0.00 42.92 38.86 1oum s ASP 130 CO 0.46 -0.51 1.67 0.15 0.52 0.00 0.00 175.17 177.47 1oum h PHE 131 N 7.22 -0.21 -0.72 -5.34 3.57 -1.95 -2.12 116.94 117.39 1oum h PHE 131 Ca -0.36 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.19 1oum h PHE 131 Cb 1.17 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.02 1oum h PHE 131 CO 0.71 -0.16 0.48 -0.44 -2.23 0.00 0.00 178.31 176.67 1oum h ASP 132 N -0.01 0.81 -0.57 0.41 3.32 -1.99 -1.40 116.42 116.98 1oum h ASP 132 Ca 0.17 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1oum h ASP 132 Cb 0.27 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1oum h ASP 132 CO -0.37 0.58 0.10 0.24 -1.72 0.00 0.00 179.24 178.07 1oum h MET 133 N 0.96 0.98 -0.22 3.56 2.86 -1.80 0.61 114.93 121.88 1oum h MET 133 Ca 0.27 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1oum h MET 133 Cb -0.07 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1oum h MET 133 CO -0.06 0.91 0.07 0.28 1.06 0.00 0.00 176.91 179.17 1oum h VAL 134 N 0.93 1.19 -0.76 -2.22 2.07 -0.70 -1.69 116.25 115.06 1oum h VAL 134 Ca 0.19 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1oum h VAL 134 Cb 0.41 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1oum h VAL 134 CO 0.01 0.19 0.33 -0.09 0.02 0.00 0.00 177.57 178.03 1oum h ARG 135 N 0.19 1.12 -0.56 1.57 2.43 -1.06 0.13 114.38 118.19 1oum h ARG 135 Ca 0.07 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1oum h ARG 135 Cb 0.23 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1oum h ARG 135 CO -0.00 0.89 0.26 -0.91 -1.51 0.00 0.00 179.97 178.70 1oum h ASN 136 N 1.10 0.75 -0.62 -3.80 2.35 -0.68 -0.65 115.58 114.02 1oum h ASN 136 Ca 0.26 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 1oum h ASN 136 Cb 0.17 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1oum h ASN 136 CO -0.03 0.68 0.02 0.00 -1.65 0.00 0.00 177.43 176.45 1oum h ALA 137 N 1.10 0.83 -0.34 -0.83 0.00 -0.85 0.76 119.26 119.93 1oum h ALA 137 Ca 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1oum h ALA 137 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1oum h ALA 137 CO -0.02 0.66 0.14 0.28 0.00 0.00 0.00 179.25 180.31 1oum h VAL 138 N 0.98 1.18 -0.32 0.00 2.07 -0.70 -1.49 116.25 117.98 1oum h VAL 138 Ca 0.18 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1oum h VAL 138 Cb 0.54 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1oum h VAL 138 CO 0.03 0.20 0.10 0.44 0.02 0.00 0.00 177.57 178.35 1oum h ASP 139 N 0.41 0.47 -0.89 0.57 3.45 -0.93 -1.74 116.42 117.76 1oum h ASP 139 Ca 0.11 -0.21 0.03 0.00 0.43 0.00 0.00 57.03 57.40 1oum h ASP 139 Cb 0.18 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.77 1oum h ASP 139 CO -0.01 0.56 0.58 0.00 -1.57 0.00 0.00 179.24 178.80 1oum h ALA 140 N 0.94 1.43 -0.52 3.45 0.00 -0.77 -0.90 119.26 122.89 1oum h ALA 140 Ca 0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1oum h ALA 140 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1oum h ALA 140 CO -0.00 0.48 -0.06 0.00 0.00 0.00 0.00 179.25 179.67 1oum h ALA 141 N 1.48 0.91 0.07 0.00 0.00 -1.01 -1.62 119.26 119.09 1oum h ALA 141 Ca 0.35 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1oum h ALA 141 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1oum h ALA 141 CO -0.10 0.64 -0.03 0.87 0.00 0.00 0.00 179.25 180.62 1oum h LYS 142 N 0.84 -0.09 -0.10 0.00 1.79 -0.40 0.04 116.57 118.65 1oum h LYS 142 Ca 0.14 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1oum h LYS 142 Cb 0.59 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1oum h LYS 142 CO 0.04 0.11 0.07 0.00 -1.08 0.00 0.00 179.45 178.59 1oum h ALA 143 N 0.63 1.98 0.00 3.86 0.00 -1.13 -0.82 119.26 123.77 1oum h ALA 143 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1oum h ALA 143 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1oum h ALA 143 CO 0.02 0.01 -0.23 1.28 0.00 0.00 0.00 179.25 180.33 1oum n LEU 144 N -4.52 0.49 -1.71 0.00 4.77 -0.62 -4.93 117.00 110.48 1oum n LEU 144 Ca -0.01 0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 56.24 1oum n LEU 144 Cb 0.11 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1oum n LEU 144 CO 0.34 -0.04 0.07 0.61 -1.33 0.00 0.00 177.39 177.04 1oum n GLY 145 N 1.41 0.26 3.20 -0.72 0.00 -0.31 -5.03 105.19 103.99 1oum n GLY 145 Ca 0.05 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1oum n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oum s ILE 146 N -3.03 2.18 0.54 -0.61 1.01 -0.14 -5.04 121.20 116.11 1oum s ILE 146 Ca 0.21 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 1oum s ILE 146 Cb -0.09 -1.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.44 1oum s ILE 146 CO 0.26 0.54 1.15 -1.81 0.00 0.00 0.00 174.94 175.09 1oum s ASP 147 N 0.73 5.71 -0.28 3.58 1.01 -1.26 -4.39 116.67 121.77 1oum s ASP 147 Ca -0.09 2.24 -0.15 0.00 0.71 0.00 0.00 52.55 55.26 1oum s ASP 147 Cb -0.16 -2.59 0.10 0.00 1.01 0.00 0.00 42.92 41.29 1oum s ASP 147 CO 0.00 -1.23 0.77 0.00 0.21 0.00 0.00 175.17 174.92 1oum s ALA 148 N -1.70 -2.02 0.08 5.23 0.00 -1.26 -4.29 121.76 117.80 1oum s ALA 148 Ca 0.72 2.35 -0.13 0.00 0.00 0.00 0.00 51.96 54.91 1oum s ALA 148 Cb -0.26 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.25 1oum s ALA 148 CO 0.29 -0.44 0.45 1.03 0.00 0.00 0.00 175.76 177.10 1oum s ARG 149 N 1.70 3.88 -0.15 0.00 0.52 -0.72 -4.92 118.95 119.26 1oum s ARG 149 Ca -0.09 0.34 0.01 0.00 -0.52 0.00 0.00 55.73 55.47 1oum s ARG 149 Cb -0.05 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.38 1oum s ARG 149 CO -0.19 0.57 -0.18 0.08 0.02 0.00 0.00 175.30 175.61 1oum s VAL 150 N -1.33 2.44 -0.35 3.52 1.01 -1.26 0.03 120.40 124.46 1oum s VAL 150 Ca 0.32 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1oum s VAL 150 Cb -0.15 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1oum s VAL 150 CO 0.17 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1oum n GLY 151 N 4.00 -0.87 3.81 4.51 0.00 -0.68 -4.95 105.19 111.01 1oum n GLY 151 Ca -0.19 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1oum n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1oum s ASN 152 N -4.00 6.77 0.41 1.61 0.01 -1.26 -1.24 114.94 117.24 1oum s ASN 152 Ca 0.00 0.91 0.08 0.00 -0.71 0.00 0.00 52.86 53.14 1oum s ASN 152 Cb 0.00 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.39 1oum s ASN 152 CO 0.00 0.26 0.40 -0.76 -1.51 0.00 0.00 177.10 175.49 1oum s LEU 153 N -0.72 3.45 -0.14 0.60 1.43 -0.73 -1.12 118.68 121.45 1oum s LEU 153 Ca 0.24 -0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1oum s LEU 153 Cb -0.16 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 43.93 1oum s LEU 153 CO 0.12 -0.65 -0.07 0.12 0.23 0.00 0.00 176.35 176.11 1oum s PHE 154 N -2.44 1.62 -0.43 0.29 5.36 -0.34 -0.38 117.98 121.66 1oum s PHE 154 Ca 0.49 -0.94 -0.19 0.00 -0.96 0.00 0.00 56.93 55.32 1oum s PHE 154 Cb -0.04 -1.29 0.02 0.00 -0.34 0.00 0.00 43.02 41.37 1oum s PHE 154 CO 0.29 -0.57 0.57 -1.12 -1.46 0.00 0.00 175.22 172.92 1oum s SER 155 N 1.66 6.28 0.05 6.13 0.01 0.12 -1.10 113.70 126.87 1oum s SER 155 Ca 0.03 -0.44 -0.06 0.00 1.31 0.00 0.00 55.95 56.79 1oum s SER 155 Cb -0.14 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 1oum s SER 155 CO -0.08 -0.70 0.31 0.00 0.41 0.00 0.00 173.24 173.18 1oum s ALA 156 N 2.58 3.83 -0.01 1.44 0.00 0.71 -3.14 121.76 127.17 1oum s ALA 156 Ca 0.19 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.64 1oum s ALA 156 Cb -0.15 -2.09 -0.24 0.00 0.00 0.00 0.00 23.12 20.64 1oum s ALA 156 CO 0.17 0.66 0.79 -0.44 0.00 0.00 0.00 175.76 176.94 1oum h ASP 157 N 3.59 0.14 -3.69 0.00 3.45 -1.90 -3.40 116.42 114.62 1oum h ASP 157 Ca -0.48 -0.24 -0.69 0.00 0.43 0.00 0.00 57.03 56.05 1oum h ASP 157 Cb 1.19 -0.05 -0.32 0.00 -0.56 0.00 0.00 39.33 39.59 1oum h ASP 157 CO 0.69 1.20 -0.64 -0.76 -1.57 0.00 0.00 179.24 178.16 1oum s LEU 158 N -6.52 4.28 0.16 1.55 1.43 -1.26 -4.95 118.68 113.38 1oum s LEU 158 Ca -0.07 -1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 51.51 1oum s LEU 158 Cb 0.08 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.55 1oum s LEU 158 CO 0.82 -0.33 1.82 0.15 0.23 0.00 0.00 176.35 179.04 1oum h PHE 159 N 8.08 0.55 -2.74 0.29 3.04 -1.97 -3.02 116.94 121.17 1oum h PHE 159 Ca -0.20 0.01 -0.78 0.00 3.98 0.00 0.00 57.97 60.98 1oum h PHE 159 Cb 1.07 -0.19 -0.24 0.00 2.56 0.00 0.00 35.95 39.15 1oum h PHE 159 CO 0.60 0.34 0.99 0.66 -2.02 0.00 0.00 178.31 178.89 1oum n TYR 160 N -4.78 4.11 -2.27 0.41 4.01 -1.26 -5.02 117.16 112.36 1oum n TYR 160 Ca 0.01 -3.28 -0.41 0.00 -0.16 0.00 0.00 57.90 54.06 1oum n TYR 160 Cb 0.02 -1.75 -0.03 0.00 -0.31 0.00 0.00 39.34 37.28 1oum n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1oum s SER 161 N 0.83 6.95 0.00 7.72 0.15 -1.14 -4.92 113.70 123.28 1oum s SER 161 Ca 0.35 2.31 0.30 0.00 0.70 0.00 0.00 55.95 59.61 1oum s SER 161 Cb -0.02 -2.60 1.47 0.00 -1.71 0.00 0.00 66.02 63.16 1oum s SER 161 CO -0.00 -0.50 2.02 -0.81 1.20 0.00 0.00 173.24 175.14 1oum n PRO 162 N 2.96 0.45 -3.64 5.44 -0.04 -1.26 -4.40 135.00 134.51 1oum n PRO 162 Ca 0.07 -0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 63.13 1oum n PRO 162 Cb 0.43 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 1oum n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1oum s ASP 163 N -2.57 5.99 0.30 3.54 3.68 -1.26 -4.93 116.67 121.41 1oum s ASP 163 Ca 0.28 -3.68 -0.02 0.00 2.13 0.00 0.00 52.55 51.27 1oum s ASP 163 Cb 0.20 -1.91 0.45 0.00 -1.45 0.00 0.00 42.92 40.21 1oum s ASP 163 CO 0.47 -0.19 1.95 1.23 0.13 0.00 0.00 175.17 178.75 1oum h GLY 164 N 6.08 1.22 0.50 2.66 0.00 -2.02 -2.75 103.07 108.76 1oum h GLY 164 Ca 0.15 -0.44 0.16 0.00 0.00 0.00 0.00 47.33 47.20 1oum h GLY 164 CO 0.85 0.40 0.56 0.83 0.00 0.00 0.00 176.54 179.19 1oum h GLU 165 N 1.12 0.54 -0.70 4.80 5.08 -1.98 -2.12 114.58 121.32 1oum h GLU 165 Ca 0.33 -0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.86 1oum h GLU 165 Cb -0.05 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1oum h GLU 165 CO -0.09 0.35 0.55 1.98 -1.00 0.00 0.00 179.01 180.81 1oum h MET 166 N 0.55 0.00 -0.12 2.33 4.05 -1.92 0.13 114.93 119.95 1oum h MET 166 Ca 0.44 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.80 1oum h MET 166 Cb 0.87 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 1oum h MET 166 CO -0.18 0.00 -0.20 0.74 0.23 0.00 0.00 176.91 177.50 1oum h PHE 167 N 0.00 0.21 -0.52 1.39 0.05 -1.58 -0.58 116.94 115.91 1oum h PHE 167 Ca 0.33 -0.03 -0.12 0.00 3.82 0.00 0.00 57.97 61.98 1oum h PHE 167 Cb 1.43 -0.06 -0.02 0.00 2.00 0.00 0.00 35.95 39.30 1oum h PHE 167 CO 0.00 0.39 -0.13 -0.44 -0.18 0.00 0.00 178.31 177.95 1oum h ASP 168 N 0.18 0.99 -0.59 2.17 3.45 -0.92 -0.08 116.42 121.62 1oum h ASP 168 Ca 0.03 -0.34 -0.10 0.00 0.43 0.00 0.00 57.03 57.05 1oum h ASP 168 Cb 0.46 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 1oum h ASP 168 CO 0.03 1.12 -0.04 0.58 -1.57 0.00 0.00 179.24 179.36 1oum h VAL 169 N 0.88 1.27 -0.20 -1.35 2.07 -1.36 0.07 116.25 117.62 1oum h VAL 169 Ca 0.13 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1oum h VAL 169 Cb 0.69 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1oum h VAL 169 CO 0.05 0.43 0.11 0.24 0.02 0.00 0.00 177.57 178.42 1oum h MET 170 N 0.96 0.27 -0.26 1.57 2.86 -0.81 -2.01 114.93 117.52 1oum h MET 170 Ca 0.16 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1oum h MET 170 Cb 0.61 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1oum h MET 170 CO 0.04 0.26 0.11 1.49 1.06 0.00 0.00 176.91 179.87 1oum h GLU 171 N 0.21 0.23 -0.94 1.72 4.81 -0.78 -1.66 114.58 118.17 1oum h GLU 171 Ca 0.07 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.43 1oum h GLU 171 Cb 0.07 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.31 1oum h GLU 171 CO -0.01 0.15 0.56 -0.22 -0.73 0.00 0.00 179.01 178.76 1oum h LYS 172 N 0.24 0.79 -0.67 1.92 3.64 -0.71 -1.15 116.57 120.63 1oum h LYS 172 Ca 0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1oum h LYS 172 Cb 0.06 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1oum h LYS 172 CO -0.10 0.52 0.00 0.66 -2.27 0.00 0.00 179.45 178.27 1oum n TYR 173 N -4.74 1.02 -1.89 1.91 4.01 -0.78 -4.93 117.16 111.76 1oum n TYR 173 Ca 0.19 -0.38 -0.11 0.00 -0.16 0.00 0.00 57.90 57.44 1oum n TYR 173 Cb 0.43 -0.24 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 1oum n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oum n GLY 174 N 0.59 0.38 3.68 2.72 0.00 -0.43 -4.97 105.19 107.16 1oum n GLY 174 Ca 0.15 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1oum n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oum s ILE 175 N -2.50 2.79 0.08 -0.61 -1.09 -0.68 -4.61 121.20 114.58 1oum s ILE 175 Ca 0.00 0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.57 1oum s ILE 175 Cb 0.00 -3.10 -0.26 0.00 -1.58 0.00 0.00 42.46 37.52 1oum s ILE 175 CO 0.00 -0.00 1.15 -0.07 -1.23 0.00 0.00 174.94 174.79 1oum h LEU 176 N 9.13 0.29 -7.19 2.97 3.38 -1.47 -3.40 115.31 119.02 1oum h LEU 176 Ca -0.46 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.11 1oum h LEU 176 Cb 1.22 -0.09 -0.22 0.00 0.09 0.00 0.00 40.66 41.66 1oum h LEU 176 CO 0.94 1.25 -0.05 -0.83 0.09 0.00 0.00 178.44 179.85 1oum s GLY 177 N -4.70 -0.41 -0.32 0.83 0.00 -1.26 -4.52 107.32 96.94 1oum s GLY 177 Ca -0.03 1.35 -0.10 0.00 0.00 0.00 0.00 44.72 45.94 1oum s GLY 177 CO 0.86 1.11 0.17 0.14 0.00 0.00 0.00 173.10 175.39 1oum s VAL 178 N -0.19 4.71 0.00 1.40 1.01 0.20 -1.20 120.40 126.34 1oum s VAL 178 Ca -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1oum s VAL 178 Cb -0.03 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1oum s VAL 178 CO 0.03 0.02 0.00 -1.84 0.00 0.00 0.00 175.10 173.31 1oum n GLU 179 N 5.00 1.90 -0.42 2.72 -0.00 -0.25 -0.42 120.64 129.18 1oum n GLU 179 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.03 1oum n GLU 179 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.93 1oum n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1oum n MET 180 N 0.00 0.06 0.00 3.44 2.81 -1.26 -0.20 117.12 121.97 1oum n MET 180 Ca 0.00 -0.99 0.00 0.00 -1.81 0.00 0.00 57.70 54.90 1oum n MET 180 Cb 0.00 -0.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.97 1oum n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1oum n GLU 181 N -0.05 0.10 -0.32 0.03 4.71 -1.26 -1.80 120.64 122.04 1oum n GLU 181 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.11 1oum n GLU 181 Cb 0.67 -0.59 -0.02 0.00 -1.01 0.00 0.00 31.44 30.49 1oum n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1oum n ALA 182 N -1.56 -0.30 -0.30 0.62 0.00 -1.26 -0.59 120.51 117.12 1oum n ALA 182 Ca 0.00 0.75 0.04 0.00 0.00 0.00 0.00 53.44 54.22 1oum n ALA 182 Cb 0.09 -0.24 0.24 0.00 0.00 0.00 0.00 19.45 19.54 1oum n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oum h ALA 183 N 0.77 1.51 -0.18 0.00 0.00 -1.83 -0.45 119.26 119.09 1oum h ALA 183 Ca 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1oum h ALA 183 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1oum h ALA 183 CO -0.78 0.37 -0.01 0.78 0.00 0.00 0.00 179.25 179.61 1oum h GLY 184 N 1.03 0.35 1.00 0.00 0.00 -1.21 -0.78 103.07 103.47 1oum h GLY 184 Ca 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1oum h GLY 184 CO -0.14 0.25 0.44 -2.22 0.00 0.00 0.00 176.54 174.86 1oum h ILE 185 N 0.07 1.18 -0.47 2.60 2.04 -0.81 0.08 117.51 122.20 1oum h ILE 185 Ca 0.05 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 1oum h ILE 185 Cb 0.40 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1oum h ILE 185 CO 0.01 0.18 0.05 1.88 0.00 0.00 0.00 178.15 180.27 1oum h TYR 186 N 0.91 0.77 -0.63 1.37 0.99 -1.02 0.31 116.97 119.66 1oum h TYR 186 Ca 0.24 -0.08 -0.06 0.00 2.00 0.00 0.00 58.73 60.83 1oum h TYR 186 Cb -0.08 -0.22 -0.03 0.00 1.00 0.00 0.00 36.73 37.40 1oum h TYR 186 CO -0.02 0.69 0.16 0.78 -0.00 0.00 0.00 178.16 179.76 1oum h GLY 187 N 0.94 1.09 0.91 3.88 0.00 -0.03 -2.08 103.07 107.77 1oum h GLY 187 Ca 0.15 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1oum h GLY 187 CO 0.01 0.63 -0.16 -2.08 0.00 0.00 0.00 176.54 174.94 1oum h VAL 188 N 0.93 1.30 -0.91 4.60 2.07 -0.54 -0.95 116.25 122.75 1oum h VAL 188 Ca 0.20 -1.27 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1oum h VAL 188 Cb 0.36 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1oum h VAL 188 CO 0.00 0.41 0.58 0.00 0.02 0.00 0.00 177.57 178.58 1oum h ALA 189 N 0.74 1.23 -0.17 1.67 0.00 -0.83 0.97 119.26 122.87 1oum h ALA 189 Ca 0.06 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1oum h ALA 189 Cb 0.69 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1oum h ALA 189 CO 0.05 0.40 -0.61 0.00 0.00 0.00 0.00 179.25 179.08 1oum h ALA 190 N 1.40 0.30 -0.44 0.00 0.00 -1.30 0.57 119.26 119.79 1oum h ALA 190 Ca 0.38 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1oum h ALA 190 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1oum h ALA 190 CO -0.15 0.56 -0.14 1.49 0.00 0.00 0.00 179.25 181.02 1oum h GLU 191 N 0.42 0.87 -0.16 0.00 4.81 -0.71 -3.27 114.58 116.54 1oum h GLU 191 Ca -0.03 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1oum h GLU 191 Cb 1.24 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1oum h GLU 191 CO 0.13 0.99 0.00 1.19 -0.73 0.00 0.00 179.01 180.59 1oum n PHE 192 N -4.25 0.18 -2.20 0.92 3.01 0.30 -5.01 117.46 110.40 1oum n PHE 192 Ca -0.01 -0.09 -0.01 0.00 1.01 0.00 0.00 57.45 58.35 1oum n PHE 192 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1oum n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1oum n GLY 193 N 1.38 0.52 1.72 1.37 0.00 -0.54 -4.94 105.19 104.69 1oum n GLY 193 Ca 0.16 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 1oum n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oum n ALA 194 N -1.55 0.32 -2.39 4.61 0.00 0.08 -5.04 120.51 116.54 1oum n ALA 194 Ca -0.01 -1.06 -0.30 0.00 0.00 0.00 0.00 53.44 52.07 1oum n ALA 194 Cb 0.51 0.76 -0.14 0.00 0.00 0.00 0.00 19.45 20.58 1oum n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1oum s LYS 195 N -2.77 1.76 0.08 0.00 1.02 -0.46 -4.46 119.74 114.91 1oum s LYS 195 Ca 0.14 -1.15 -0.08 0.00 0.02 0.00 0.00 55.97 54.91 1oum s LYS 195 Cb 0.01 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.30 1oum s LYS 195 CO 0.10 0.50 0.16 0.00 -0.92 0.00 0.00 175.35 175.19 1oum s ALA 196 N -0.91 -0.14 -0.20 5.17 0.00 -1.26 -1.00 121.76 123.42 1oum s ALA 196 Ca 0.13 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.22 1oum s ALA 196 Cb -0.10 0.45 0.05 0.00 0.00 0.00 0.00 23.12 23.52 1oum s ALA 196 CO 0.04 -0.49 0.55 -1.17 0.00 0.00 0.00 175.76 174.70 1oum s LEU 197 N -2.84 -0.12 -0.11 0.00 2.96 -0.20 -2.23 118.68 116.15 1oum s LEU 197 Ca 0.05 1.09 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 1oum s LEU 197 Cb 0.05 1.91 -0.01 0.00 0.50 0.00 0.00 46.19 48.64 1oum s LEU 197 CO -0.11 -0.21 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.66 1oum s THR 198 N 0.23 2.75 -0.09 3.68 2.01 -1.26 -0.31 115.64 122.65 1oum s THR 198 Ca -0.01 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1oum s THR 198 Cb -0.04 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.36 1oum s THR 198 CO 0.01 0.54 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.69 1oum s ILE 199 N 0.27 1.50 0.19 1.82 1.01 0.29 -1.83 121.20 124.45 1oum s ILE 199 Ca -0.12 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 59.95 1oum s ILE 199 Cb -0.16 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 1oum s ILE 199 CO 0.06 0.44 -0.18 0.00 0.00 0.00 0.00 174.94 175.26 1oum s THR 201 N -2.32 2.96 -0.28 0.00 2.01 -0.37 -0.67 115.64 116.96 1oum s THR 201 Ca 0.19 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1oum s THR 201 Cb -0.04 -2.27 -0.07 0.00 0.01 0.00 0.00 72.50 70.12 1oum s THR 201 CO 0.08 0.50 2.24 0.52 -0.69 0.00 0.00 174.62 177.26 1oum n VAL 202 N 4.11 0.26 0.17 3.82 0.31 -0.44 -1.87 118.33 124.70 1oum n VAL 202 Ca -0.19 -0.43 0.10 0.00 -0.01 0.00 0.00 64.34 63.82 1oum n VAL 202 Cb 0.52 -2.31 0.10 0.00 -0.91 0.00 0.00 33.84 31.24 1oum n VAL 202 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1oum h SER 203 N 14.66 0.00 -5.91 4.52 0.87 -0.65 -0.37 113.55 126.67 1oum h SER 203 Ca -0.35 0.00 0.37 0.00 -1.23 0.00 0.00 61.79 60.58 1oum h SER 203 Cb 1.27 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.11 1oum h SER 203 CO 1.00 0.10 0.94 1.51 -0.53 0.00 0.00 176.83 179.84 1oum s ASP 204 N -6.02 -0.02 -0.18 6.23 -4.77 -1.20 -1.93 116.67 108.78 1oum s ASP 204 Ca 0.04 -0.07 -0.01 0.00 -3.30 0.00 0.00 52.55 49.21 1oum s ASP 204 Cb 0.07 0.07 -0.00 0.00 -1.09 0.00 0.00 42.92 41.96 1oum s ASP 204 CO 0.72 -0.13 -0.11 -2.28 0.70 0.00 0.00 175.17 174.06 1oum s HIS 205 N -2.12 2.86 0.41 2.11 2.46 -1.15 -1.00 115.29 118.85 1oum s HIS 205 Ca 0.20 -1.04 0.18 0.00 0.47 0.00 0.00 55.06 54.87 1oum s HIS 205 Cb 0.05 -1.97 1.07 0.00 -0.13 0.00 0.00 32.58 31.60 1oum s HIS 205 CO -0.05 -0.52 1.97 0.82 -2.47 0.00 0.00 174.74 174.50 1oum h ILE 206 N 5.68 0.98 0.00 0.89 2.04 -1.42 0.61 117.51 126.30 1oum h ILE 206 Ca -0.37 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 1oum h ILE 206 Cb 1.17 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1oum h ILE 206 CO 0.59 0.21 -0.50 0.03 0.00 0.00 0.00 178.15 178.48 1oum h ARG 207 N 0.00 0.00 0.00 2.37 2.47 -1.90 -3.38 114.38 113.94 1oum h ARG 207 Ca -0.00 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 1oum h ARG 207 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 1oum h ARG 207 CO 0.03 0.83 -0.46 1.79 0.56 0.00 0.00 179.97 182.72 1oum h THR 208 N -1.00 0.85 -0.13 2.04 1.35 -1.93 -3.47 112.91 110.61 1oum h THR 208 Ca -0.13 -2.00 -0.06 0.00 -0.55 0.00 0.00 66.41 63.67 1oum h THR 208 Cb 0.98 2.28 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 1oum h THR 208 CO -0.08 0.45 -0.05 1.41 -0.25 0.00 0.00 175.52 177.00 1oum n HIS 209 N -3.30 0.00 -2.86 4.73 8.25 0.21 -4.99 115.22 117.26 1oum n HIS 209 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 1oum n HIS 209 Cb 0.67 -0.87 -0.04 0.00 1.12 0.00 0.00 29.99 30.86 1oum n HIS 209 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1oum s GLU 210 N -1.65 3.24 0.53 -0.41 -1.05 -1.25 -4.90 118.70 113.22 1oum s GLU 210 Ca 0.00 -0.49 -0.09 0.00 -0.15 0.00 0.00 54.97 54.24 1oum s GLU 210 Cb 0.00 -4.12 0.13 0.00 -0.44 0.00 0.00 34.13 29.70 1oum s GLU 210 CO 0.00 -1.60 0.59 1.04 0.95 0.00 0.00 175.26 176.25 1oum n GLN 211 N 7.52 -1.29 -1.22 -4.83 3.00 -1.26 -2.93 117.38 116.37 1oum n GLN 211 Ca -0.01 -0.93 -0.38 0.00 -0.01 0.00 0.00 57.00 55.67 1oum n GLN 211 Cb 0.47 -0.73 0.02 0.00 0.00 0.00 0.00 30.24 30.00 1oum n GLN 211 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1oum n THR 212 N -3.25 0.37 -3.54 5.09 -2.24 -0.81 -4.86 114.28 105.04 1oum n THR 212 Ca 0.08 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 1oum n THR 212 Cb 0.28 -0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 1oum n THR 212 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1oum s THR 213 N -1.97 0.00 0.56 4.28 -1.32 -1.26 -5.09 115.64 110.84 1oum s THR 213 Ca 0.56 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 1oum s THR 213 Cb -0.42 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.57 1oum s THR 213 CO 0.67 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 173.08 1oum n ALA 214 N 0.54 -3.85 0.33 11.08 0.00 -1.26 -3.02 120.51 124.34 1oum n ALA 214 Ca -0.13 0.82 0.22 0.00 0.00 0.00 0.00 53.44 54.36 1oum n ALA 214 Cb 0.59 -1.53 1.18 0.00 0.00 0.00 0.00 19.45 19.68 1oum n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oum h ALA 215 N -1.43 1.00 -0.00 0.00 0.00 -2.05 0.22 119.26 116.99 1oum h ALA 215 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1oum h ALA 215 Cb 1.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1oum h ALA 215 CO 0.06 0.00 0.01 0.93 0.00 0.00 0.00 179.25 180.25 1oum h GLU 216 N 0.00 0.00 0.00 0.00 3.07 -2.01 -3.32 114.58 112.32 1oum h GLU 216 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1oum h GLU 216 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1oum h GLU 216 CO 0.00 0.00 0.00 -2.13 -1.40 0.00 0.00 179.01 175.48 1oum n ARG 217 N -3.41 0.00 0.32 2.33 0.63 0.75 -2.35 116.66 114.94 1oum n ARG 217 Ca -0.03 0.00 0.20 0.00 -0.92 0.00 0.00 57.85 57.10 1oum n ARG 217 Cb 0.08 -0.08 1.06 0.00 0.45 0.00 0.00 32.46 33.97 1oum n ARG 217 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1oum h GLN 218 N 0.00 0.00 -0.84 -0.14 4.15 -1.83 -2.96 115.11 113.49 1oum h GLN 218 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.59 1oum h GLN 218 Cb 0.00 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 1oum h GLN 218 CO 0.00 0.00 0.55 1.15 -1.93 0.00 0.00 178.83 178.60 1oum h THR 219 N 0.00 0.75 0.00 2.39 2.02 -1.56 0.60 112.91 117.11 1oum h THR 219 Ca 0.01 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1oum h THR 219 Cb 0.23 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1oum h THR 219 CO -0.00 0.08 -0.61 0.74 0.37 0.00 0.00 175.52 176.10 1oum h THR 220 N 0.45 0.07 0.00 3.16 2.02 -1.44 -2.69 112.91 114.48 1oum h THR 220 Ca 0.42 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1oum h THR 220 Cb 0.97 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1oum h THR 220 CO -0.16 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.27 1oum n PHE 221 N -2.88 0.00 -0.02 3.16 3.01 0.20 -1.09 117.46 119.83 1oum n PHE 221 Ca 0.01 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.26 1oum n PHE 221 Cb 0.57 -0.28 -0.13 0.00 -0.01 0.00 0.00 39.48 39.63 1oum n PHE 221 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1oum n ASN 222 N -1.28 2.09 -0.05 4.37 3.02 -0.23 -3.71 115.26 119.47 1oum n ASN 222 Ca 0.11 0.15 -0.08 0.00 -0.03 0.00 0.00 54.58 54.73 1oum n ASN 222 Cb 0.17 -0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 38.54 1oum n ASN 222 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1oum h ASP 223 N 0.02 -0.29 -0.54 6.41 3.32 -0.91 0.11 116.42 124.55 1oum h ASP 223 Ca -0.45 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 1oum h ASP 223 Cb 1.99 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 41.68 1oum h ASP 223 CO 0.04 -0.11 0.23 0.00 -1.72 0.00 0.00 179.24 177.68 1oum h MET 224 N -0.04 0.84 -0.32 3.56 -0.00 -1.56 -0.78 114.93 116.64 1oum h MET 224 Ca 0.12 -0.13 -0.02 0.00 -0.00 0.00 0.00 59.70 59.67 1oum h MET 224 Cb 0.22 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 31.66 1oum h MET 224 CO -0.26 0.69 0.14 0.82 -0.00 0.00 0.00 176.91 178.30 1oum h ILE 225 N 0.83 1.17 -0.58 -0.10 1.08 -1.39 0.10 117.51 118.63 1oum h ILE 225 Ca 0.20 -0.51 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1oum h ILE 225 Cb 0.17 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 1oum h ILE 225 CO -0.02 0.18 0.32 0.50 -0.69 0.00 0.00 178.15 178.45 1oum h LYS 226 N 0.37 0.80 -0.54 2.37 1.63 -0.62 -0.54 116.57 120.04 1oum h LYS 226 Ca 0.11 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1oum h LYS 226 Cb 0.16 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1oum h LYS 226 CO -0.01 0.60 0.31 0.82 -3.45 0.00 0.00 179.45 177.72 1oum h ILE 227 N 0.78 1.17 0.01 2.00 2.04 -0.85 -0.42 117.51 122.24 1oum h ILE 227 Ca 0.20 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1oum h ILE 227 Cb 0.03 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1oum h ILE 227 CO -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 178.15 178.29 1oum h ALA 228 N 1.15 -0.02 -0.59 1.87 0.00 -0.60 0.22 119.26 121.28 1oum h ALA 228 Ca 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1oum h ALA 228 Cb 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1oum h ALA 228 CO -0.03 -0.45 0.29 -0.07 0.00 0.00 0.00 179.25 178.99 1oum h LEU 229 N -0.15 0.77 -0.99 0.00 3.38 -0.96 -2.22 115.31 115.14 1oum h LEU 229 Ca -0.00 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1oum h LEU 229 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1oum h LEU 229 CO 0.00 0.68 -0.49 -0.33 0.09 0.00 0.00 178.44 178.39 1oum h GLU 230 N 0.81 0.03 -0.20 1.13 4.39 -1.03 -2.65 114.58 117.06 1oum h GLU 230 Ca 0.20 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 1oum h GLU 230 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1oum h GLU 230 CO -0.03 0.52 -0.25 0.66 -1.16 0.00 0.00 179.01 178.75 1oum h SER 231 N 0.03 0.37 -0.15 1.42 4.64 -0.50 -1.81 113.55 117.55 1oum h SER 231 Ca -0.00 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 1oum h SER 231 Cb 0.88 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1oum h SER 231 CO 0.07 0.63 0.06 0.58 -0.87 0.00 0.00 176.83 177.29 1oum h VAL 232 N 0.34 1.16 -0.68 0.95 2.07 -1.05 0.14 116.25 119.17 1oum h VAL 232 Ca 0.05 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1oum h VAL 232 Cb 0.63 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1oum h VAL 232 CO 0.04 0.15 0.44 -0.07 0.02 0.00 0.00 177.57 178.15 1oum h LEU 233 N 0.09 0.72 -0.58 2.57 3.38 -1.38 -0.86 115.31 119.26 1oum h LEU 233 Ca 0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1oum h LEU 233 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1oum h LEU 233 CO -0.00 0.51 0.38 0.25 0.09 0.00 0.00 178.44 179.67 1oum h LEU 234 N 0.86 0.65 -1.62 1.67 5.85 -1.10 -2.04 115.31 119.58 1oum h LEU 234 Ca 0.27 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1oum h LEU 234 Cb -0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1oum h LEU 234 CO -0.09 0.47 0.04 1.23 -0.34 0.00 0.00 178.44 179.75 1oum h GLY 235 N 0.78 0.30 1.21 3.75 0.00 0.06 -2.63 103.07 106.54 1oum h GLY 235 Ca 0.22 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 1oum h GLY 235 CO -0.05 0.13 -0.39 -0.55 0.00 0.00 0.00 176.54 175.68 1oum h ASP 236 N 0.28 0.92 0.00 0.19 3.32 -0.49 -3.51 116.42 117.13 1oum h ASP 236 Ca 0.07 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1oum h ASP 236 Cb 0.13 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1oum h ASP 236 CO -0.00 1.20 0.00 0.29 -1.72 0.00 0.00 179.24 179.01