#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 1.21 0.06 0.00 -4.23 -0.38 -5.00 115.64 107.30 1oum s THR 2 Ca 0.00 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.82 1oum s THR 2 Cb 0.00 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.62 1oum s THR 2 CO 0.00 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.36 1oum h PRO 3 N 1.73 0.00 0.00 3.99 0.11 -2.04 -3.04 132.00 132.76 1oum h PRO 3 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1oum h PRO 3 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1oum h PRO 3 CO 0.70 0.00 -0.67 0.72 -0.21 0.00 0.00 178.00 178.54 1oum n HIS 4 N -2.62 0.00 -3.76 0.65 8.25 -1.26 -4.95 115.22 111.54 1oum n HIS 4 Ca -0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 1oum n HIS 4 Cb 0.12 -0.06 -0.17 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.93 0.54 -1.17 1.59 1.01 -1.15 -4.61 121.20 115.48 1oum s ILE 5 Ca 0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 1oum s ILE 5 Cb 0.05 -0.93 0.23 0.00 0.01 0.00 0.00 42.46 41.82 1oum s ILE 5 CO 0.28 -0.07 1.48 -3.20 0.00 0.00 0.00 174.94 173.43 1oum n ASN 6 N 5.06 5.58 -3.28 3.58 5.15 -1.26 -1.24 115.26 128.85 1oum n ASN 6 Ca -0.09 -3.14 -0.15 0.00 -0.60 0.00 0.00 54.58 50.61 1oum n ASN 6 Cb 0.48 -1.42 -0.04 0.00 -0.53 0.00 0.00 39.78 38.26 1oum n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oum s ALA 7 N -0.58 0.80 0.18 5.20 0.00 -1.26 -4.64 121.76 121.46 1oum s ALA 7 Ca 0.36 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 50.85 1oum s ALA 7 Cb 0.00 1.17 -0.05 0.00 0.00 0.00 0.00 23.12 24.25 1oum s ALA 7 CO 0.01 -0.78 -0.13 -1.21 0.00 0.00 0.00 175.76 173.65 1oum s GLU 8 N -3.10 1.21 0.09 0.00 0.41 -1.26 -2.77 118.70 113.28 1oum s GLU 8 Ca 0.31 -1.53 -0.36 0.00 -0.41 0.00 0.00 54.97 52.98 1oum s GLU 8 Cb -0.00 -0.91 -0.17 0.00 -1.78 0.00 0.00 34.13 31.27 1oum s GLU 8 CO 0.20 0.14 1.29 -0.12 -0.49 0.00 0.00 175.26 176.28 1oum n MET 9 N -0.30 1.05 0.00 1.61 0.00 -1.26 -0.97 117.12 117.26 1oum n MET 9 Ca -0.09 0.38 0.00 0.00 -0.00 0.00 0.00 57.70 57.99 1oum n MET 9 Cb 0.60 -1.99 0.00 0.00 0.00 0.00 0.00 33.22 31.84 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 2.36 2.29 0.25 -5.12 0.00 -1.26 -4.91 105.19 98.81 1oum n GLY 10 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 0.55 0.00 -3.18 1.61 5.19 -1.43 -3.42 116.42 115.74 1oum h ASP 11 Ca 0.00 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.78 1oum h ASP 11 Cb 0.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 1oum h ASP 11 CO 0.00 0.14 -0.64 -0.36 -3.12 0.00 0.00 179.24 175.25 1oum s PHE 12 N -4.39 3.00 0.89 4.55 0.40 -1.26 -4.71 117.98 116.47 1oum s PHE 12 Ca -0.03 -0.03 -0.13 0.00 -0.60 0.00 0.00 56.93 56.13 1oum s PHE 12 Cb 0.14 -1.52 0.14 0.00 0.51 0.00 0.00 43.02 42.29 1oum s PHE 12 CO 0.62 0.49 1.20 0.00 0.70 0.00 0.00 175.22 178.24 1oum s ALA 13 N -1.44 2.20 -2.02 5.36 0.00 -1.26 -4.93 121.76 119.67 1oum s ALA 13 Ca 0.27 -0.76 0.20 0.00 0.00 0.00 0.00 51.96 51.67 1oum s ALA 13 Cb -0.11 -2.93 1.14 0.00 0.00 0.00 0.00 23.12 21.21 1oum s ALA 13 CO 0.19 -2.13 1.74 -0.40 0.00 0.00 0.00 175.76 175.16 1oum n ASP 14 N -3.63 0.10 -3.86 0.00 3.85 -1.26 -4.58 116.55 107.17 1oum n ASP 14 Ca 0.10 -1.41 -0.20 0.00 -0.71 0.00 0.00 54.79 52.57 1oum n ASP 14 Cb 0.60 -0.01 -0.16 0.00 -1.35 0.00 0.00 41.12 40.20 1oum n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1oum s VAL 15 N -1.99 0.43 -0.09 2.12 1.01 -1.26 -0.26 120.40 120.36 1oum s VAL 15 Ca 0.29 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1oum s VAL 15 Cb 0.14 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1oum s VAL 15 CO 0.23 0.21 -0.09 -0.69 0.00 0.00 0.00 175.10 174.76 1oum s VAL 16 N 1.07 1.05 0.09 2.92 1.01 0.52 -2.55 120.40 124.51 1oum s VAL 16 Ca -0.09 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1oum s VAL 16 Cb -0.14 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 1oum s VAL 16 CO -0.01 0.36 0.71 -0.76 0.00 0.00 0.00 175.10 175.39 1oum s LEU 17 N 1.32 4.52 -0.18 3.92 1.02 -0.47 -1.29 118.68 127.53 1oum s LEU 17 Ca -0.02 1.45 -0.04 0.00 0.02 0.00 0.00 54.13 55.54 1oum s LEU 17 Cb -0.14 -3.14 0.06 0.00 0.02 0.00 0.00 46.19 42.99 1oum s LEU 17 CO -0.04 0.16 0.07 -0.04 0.02 0.00 0.00 176.35 176.52 1oum s MET 18 N -0.74 0.33 0.42 1.70 -1.94 0.10 -1.60 119.30 117.57 1oum s MET 18 Ca 0.34 -0.24 -0.01 0.00 -1.71 0.00 0.00 55.69 54.08 1oum s MET 18 Cb -0.21 -1.96 -0.02 0.00 2.01 0.00 0.00 34.83 34.65 1oum s MET 18 CO 0.23 -0.66 0.65 -1.25 -0.01 0.00 0.00 175.02 173.98 1oum s PRO 19 N 2.01 3.27 0.11 2.03 0.04 -1.25 -1.84 135.00 139.37 1oum s PRO 19 Ca 0.01 -0.33 -0.14 0.00 0.04 0.00 0.00 61.00 60.58 1oum s PRO 19 Cb -0.16 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 1oum s PRO 19 CO -0.08 -0.13 1.43 0.78 0.04 0.00 0.00 177.00 179.03 1oum h GLY 20 N 0.48 0.84 -6.15 0.56 0.00 -1.85 -1.82 103.07 95.13 1oum h GLY 20 Ca -0.47 -0.88 -0.57 0.00 0.00 0.00 0.00 47.33 45.41 1oum h GLY 20 CO 0.59 0.79 0.88 -0.35 0.00 0.00 0.00 176.54 178.46 1oum s ASP 21 N -6.65 6.79 0.52 0.19 2.15 -1.26 -2.11 116.67 116.30 1oum s ASP 21 Ca -0.12 0.78 0.21 0.00 0.43 0.00 0.00 52.55 53.85 1oum s ASP 21 Cb 0.09 -2.55 1.31 0.00 -0.30 0.00 0.00 42.92 41.48 1oum s ASP 21 CO 0.85 -1.06 2.05 1.55 -0.17 0.00 0.00 175.17 178.40 1oum h PRO 22 N 8.62 0.04 0.00 4.34 0.13 -1.88 0.40 132.00 143.65 1oum h PRO 22 Ca -0.22 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1oum h PRO 22 Cb 1.06 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1oum h PRO 22 CO 1.08 0.02 0.00 -0.07 -0.23 0.00 0.00 178.00 178.80 1oum h LEU 23 N 0.04 0.00 -0.47 1.56 3.38 -1.92 -1.95 115.31 115.95 1oum h LEU 23 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1oum h LEU 23 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1oum h LEU 23 CO -0.01 0.00 -0.60 -0.09 0.09 0.00 0.00 178.44 177.83 1oum h ARG 24 N 0.00 0.00 -0.55 1.13 9.65 -0.60 -2.57 114.38 121.44 1oum h ARG 24 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 1oum h ARG 24 Cb 0.61 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.17 1oum h ARG 24 CO 0.00 0.60 -0.04 0.00 2.80 0.00 0.00 179.97 183.33 1oum h ALA 25 N 1.40 0.75 -0.70 2.80 0.00 -1.14 -0.71 119.26 121.65 1oum h ALA 25 Ca -0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1oum h ALA 25 Cb 1.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1oum h ALA 25 CO 0.08 0.60 0.16 -0.22 0.00 0.00 0.00 179.25 179.87 1oum h LYS 26 N 0.88 1.13 -0.78 0.00 3.64 -1.47 -1.76 116.57 118.20 1oum h LYS 26 Ca 0.15 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1oum h LYS 26 Cb 0.59 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1oum h LYS 26 CO 0.04 1.00 0.44 -0.92 -2.27 0.00 0.00 179.45 177.74 1oum h TYR 27 N 1.07 1.07 -0.00 1.91 5.03 -1.05 -1.70 116.97 123.29 1oum h TYR 27 Ca 0.22 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.51 1oum h TYR 27 Cb 0.39 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.33 1oum h TYR 27 CO 0.03 0.74 0.00 0.82 -1.32 0.00 0.00 178.16 178.43 1oum h ILE 28 N 1.08 1.23 -0.42 1.81 1.08 -0.75 -1.89 117.51 119.66 1oum h ILE 28 Ca 0.28 -0.69 0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1oum h ILE 28 Cb 0.01 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 1oum h ILE 28 CO -0.05 0.18 0.25 0.00 -0.69 0.00 0.00 178.15 177.84 1oum h ALA 29 N 0.71 0.53 -0.06 1.87 0.00 -1.23 0.78 119.26 121.87 1oum h ALA 29 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1oum h ALA 29 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1oum h ALA 29 CO 0.00 -0.07 -0.41 0.93 0.00 0.00 0.00 179.25 179.70 1oum h GLU 30 N 0.51 0.12 0.16 0.00 4.39 -1.33 -2.04 114.58 116.38 1oum h GLU 30 Ca 0.17 -0.06 -0.33 0.00 0.34 0.00 0.00 59.36 59.48 1oum h GLU 30 Cb 0.00 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1oum h GLU 30 CO -0.07 0.52 -1.69 1.15 -1.16 0.00 0.00 179.01 177.76 1oum h THR 31 N 0.11 0.92 0.00 1.13 2.02 -1.03 -3.43 112.91 112.63 1oum h THR 31 Ca 0.01 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 64.74 1oum h THR 31 Cb 0.78 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1oum h THR 31 CO 0.06 0.82 -0.61 0.49 0.37 0.00 0.00 175.52 176.65 1oum n PHE 32 N -3.68 0.00 -4.14 3.16 3.01 0.24 -5.04 117.46 111.02 1oum n PHE 32 Ca -0.26 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.87 1oum n PHE 32 Cb 1.02 -0.05 -0.07 0.00 -0.01 0.00 0.00 39.48 40.37 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 -2.66 3.85 -0.07 4.37 1.02 -0.77 -4.66 118.68 119.76 1oum s LEU 33 Ca 0.01 0.15 -0.03 0.00 0.02 0.00 0.00 54.13 54.28 1oum s LEU 33 Cb 0.04 -2.19 -0.04 0.00 0.02 0.00 0.00 46.19 44.03 1oum s LEU 33 CO 0.25 0.29 0.08 -1.61 0.02 0.00 0.00 176.35 175.38 1oum s GLU 34 N -1.58 3.19 -1.39 1.70 0.41 -0.14 -4.48 118.70 116.40 1oum s GLU 34 Ca 0.21 -0.32 -0.08 0.00 -0.41 0.00 0.00 54.97 54.37 1oum s GLU 34 Cb -0.12 -2.96 0.04 0.00 -1.78 0.00 0.00 34.13 29.30 1oum s GLU 34 CO 0.12 0.72 0.97 -0.25 -0.49 0.00 0.00 175.26 176.32 1oum n ASP 35 N 1.80 -3.97 -4.73 -0.19 10.43 -1.26 -1.82 116.55 116.81 1oum n ASP 35 Ca -0.17 -0.71 -0.41 0.00 2.57 0.00 0.00 54.79 56.06 1oum n ASP 35 Cb 0.54 -4.37 -0.04 0.00 1.84 0.00 0.00 41.12 39.09 1oum n ASP 35 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1oum s ALA 36 N -3.40 3.26 -0.03 2.24 0.00 -1.26 -4.47 121.76 118.10 1oum s ALA 36 Ca 0.40 0.62 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1oum s ALA 36 Cb -0.19 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1oum s ALA 36 CO 0.79 -0.08 -0.19 -0.98 0.00 0.00 0.00 175.76 175.30 1oum s ARG 37 N 0.04 1.76 -0.02 0.00 1.70 0.10 -4.91 118.95 117.61 1oum s ARG 37 Ca 0.48 -0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 54.76 1oum s ARG 37 Cb -0.24 -1.60 -0.05 0.00 -0.57 0.00 0.00 34.95 32.49 1oum s ARG 37 CO 0.30 0.34 1.35 -2.00 -1.08 0.00 0.00 175.30 174.21 1oum s GLU 38 N -0.23 4.30 0.00 3.89 2.12 -1.26 -1.17 118.70 126.35 1oum s GLU 38 Ca 0.02 1.88 0.08 0.00 0.36 0.00 0.00 54.97 57.31 1oum s GLU 38 Cb -0.10 -3.58 0.05 0.00 0.26 0.00 0.00 34.13 30.76 1oum s GLU 38 CO 0.01 -0.55 0.70 1.33 -0.54 0.00 0.00 175.26 176.21 1oum n VAL 39 N 4.68 0.00 -3.60 3.70 0.24 0.12 -4.96 118.33 118.52 1oum n VAL 39 Ca 0.13 -0.48 -0.15 0.00 -2.04 0.00 0.00 64.34 61.80 1oum n VAL 39 Cb 0.44 1.15 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 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 -0.77 -0.72 0.00 -1.34 3.04 -1.17 -4.32 114.94 109.66 1oum s ASN 40 Ca 0.09 1.25 0.00 0.00 0.04 0.00 0.00 52.86 54.24 1oum s ASN 40 Cb 0.06 1.22 0.00 0.00 -1.54 0.00 0.00 41.25 41.00 1oum s ASN 40 CO 0.12 -0.34 0.10 -0.46 -3.04 0.00 0.00 177.10 173.48 1oum n ASN 41 N 2.23 0.00 -4.69 -4.21 6.94 -1.26 -1.80 115.26 112.47 1oum n ASN 41 Ca -0.15 -1.00 -0.44 0.00 -0.02 0.00 0.00 54.58 52.96 1oum n ASN 41 Cb 0.56 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.94 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 0.06 -1.29 3.53 0.31 -1.26 -0.71 118.33 118.97 1oum n VAL 42 Ca 0.00 -0.01 -0.10 0.00 -0.01 0.00 0.00 64.34 64.21 1oum n VAL 42 Cb 0.31 -1.71 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 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 3.54 -1.66 -1.03 5.55 1.74 -1.26 -1.70 116.66 121.84 1oum n ARG 43 Ca 0.16 0.85 -0.01 0.00 -0.77 0.00 0.00 57.85 58.08 1oum n ARG 43 Cb 0.31 -5.25 -0.00 0.00 -1.02 0.00 0.00 32.46 26.50 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 0.18 0.44 3.05 -0.13 0.00 0.12 -4.93 105.19 103.91 1oum n GLY 44 Ca -0.10 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.09 3.41 -1.63 1.61 0.00 -0.69 -4.84 117.12 112.90 1oum n MET 45 Ca -0.01 -3.45 -0.47 0.00 0.00 0.00 0.00 57.70 53.77 1oum n MET 45 Cb 0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 33.22 30.27 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 4.98 2.38 -4.11 -0.89 4.77 -1.26 -4.43 117.00 118.44 1oum n LEU 46 Ca 0.42 1.13 -0.21 0.00 -0.03 0.00 0.00 56.01 57.32 1oum n LEU 46 Cb 0.39 -1.33 -0.15 0.00 -2.33 0.00 0.00 43.42 40.01 1oum n LEU 46 CO 0.78 -0.83 -0.47 -0.83 -1.33 0.00 0.00 177.39 174.71 1oum s GLY 47 N 0.25 0.69 0.05 -0.72 0.00 -0.75 -2.96 107.32 103.88 1oum s GLY 47 Ca 0.72 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.82 1oum s GLY 47 CO 0.49 -0.56 -0.08 -1.36 0.00 0.00 0.00 173.10 171.59 1oum s PHE 48 N -0.45 0.68 -0.03 1.90 0.08 0.32 0.16 117.98 120.64 1oum s PHE 48 Ca 0.04 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.58 1oum s PHE 48 Cb -0.06 -0.41 0.00 0.00 -0.57 0.00 0.00 43.02 41.99 1oum s PHE 48 CO -0.00 -0.09 -0.08 0.99 -0.10 0.00 0.00 175.22 175.93 1oum s THR 49 N -1.58 0.74 0.00 0.64 2.01 -0.32 -0.80 115.64 116.34 1oum s THR 49 Ca -0.08 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1oum s THR 49 Cb -0.09 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.76 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 3.36 2.90 3.06 4.40 0.00 -0.35 0.03 105.19 118.58 1oum n GLY 50 Ca -0.19 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1oum n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oum s THR 51 N -1.62 0.55 -0.19 2.61 -4.23 -0.76 -0.58 115.64 111.42 1oum s THR 51 Ca 0.00 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1oum s THR 51 Cb 0.00 -0.60 0.04 0.00 1.34 0.00 0.00 72.50 73.28 1oum s THR 51 CO 0.00 -0.32 -0.12 -0.47 -0.54 0.00 0.00 174.62 173.17 1oum s TYR 52 N -1.25 2.45 -1.48 3.99 6.14 0.37 -0.97 117.35 126.61 1oum s TYR 52 Ca -0.08 -1.57 -0.06 0.00 0.64 0.00 0.00 57.07 55.99 1oum s TYR 52 Cb -0.09 -1.67 0.05 0.00 0.42 0.00 0.00 41.96 40.67 1oum s TYR 52 CO 0.00 -0.74 0.62 1.63 0.64 0.00 0.00 175.55 177.70 1oum n LYS 53 N 4.68 -3.80 -0.91 4.97 5.02 -1.26 -0.79 118.16 126.06 1oum n LYS 53 Ca -0.15 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1oum n LYS 53 Cb 0.47 -4.88 0.00 0.00 -0.02 0.00 0.00 35.03 30.60 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 -1.76 0.99 3.72 0.72 0.00 -1.26 -5.01 105.19 102.58 1oum n GLY 54 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1oum n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oum s ARG 55 N -0.09 4.17 0.18 1.61 3.52 0.03 -5.03 118.95 123.34 1oum s ARG 55 Ca 0.00 -0.23 -0.31 0.00 -0.13 0.00 0.00 55.73 55.06 1oum s ARG 55 Cb 0.00 -3.44 -0.10 0.00 -1.56 0.00 0.00 34.95 29.85 1oum s ARG 55 CO 0.00 0.26 1.53 0.21 -0.81 0.00 0.00 175.30 176.49 1oum s LYS 56 N 0.46 4.23 -0.06 5.12 2.20 -1.26 -0.47 119.74 129.96 1oum s LYS 56 Ca 0.08 2.32 -0.09 0.00 -0.36 0.00 0.00 55.97 57.92 1oum s LYS 56 Cb -0.11 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 33.07 1oum s LYS 56 CO -0.01 -0.55 0.23 0.42 -0.36 0.00 0.00 175.35 175.07 1oum s ILE 57 N 0.89 0.03 0.23 5.43 -1.09 0.25 -4.77 121.20 122.18 1oum s ILE 57 Ca 0.67 -0.21 0.11 0.00 -2.23 0.00 0.00 60.65 58.99 1oum s ILE 57 Cb -0.43 -0.40 -0.05 0.00 -1.58 0.00 0.00 42.46 40.01 1oum s ILE 57 CO 0.34 -0.12 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.30 1oum s SER 58 N -0.39 3.67 -0.11 3.58 0.01 -1.06 -1.21 113.70 118.18 1oum s SER 58 Ca -0.05 -0.89 -0.05 0.00 1.31 0.00 0.00 55.95 56.27 1oum s SER 58 Cb -0.03 -0.37 0.05 0.00 0.21 0.00 0.00 66.02 65.88 1oum s SER 58 CO 0.01 0.08 0.26 0.54 0.41 0.00 0.00 173.24 174.54 1oum s VAL 59 N -2.08 -0.12 -0.13 3.43 0.11 0.02 -1.37 120.40 120.26 1oum s VAL 59 Ca 0.26 0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 59.34 1oum s VAL 59 Cb -0.07 -0.41 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1oum s VAL 59 CO 0.13 0.07 0.38 -0.32 -3.33 0.00 0.00 175.10 172.04 1oum s MET 60 N 1.52 0.47 0.66 1.54 0.00 -0.63 -0.52 119.30 122.35 1oum s MET 60 Ca -0.07 0.48 -0.15 0.00 0.00 0.00 0.00 55.69 55.94 1oum s MET 60 Cb -0.11 0.23 0.00 0.00 0.00 0.00 0.00 34.83 34.96 1oum s MET 60 CO -0.09 -0.07 1.14 0.20 0.00 0.00 0.00 175.02 176.20 1oum s GLY 61 N 0.07 2.25 0.00 2.11 0.00 -1.16 -3.78 107.32 106.82 1oum s GLY 61 Ca -0.01 0.66 0.01 0.00 0.00 0.00 0.00 44.72 45.38 1oum s GLY 61 CO 0.01 1.03 0.51 -2.39 0.00 0.00 0.00 173.10 172.26 1oum n HIS 62 N -2.38 0.00 -0.20 1.90 1.44 -0.68 -4.90 115.22 110.41 1oum n HIS 62 Ca 0.11 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.85 1oum n HIS 62 Cb 0.51 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.62 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 0.13 -1.84 3.75 -1.39 0.00 -0.89 -2.51 105.19 102.44 1oum n GLY 63 Ca 0.01 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.87 4.96 0.00 1.61 1.01 -1.26 -4.56 120.40 120.28 1oum s VAL 64 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1oum s VAL 64 Cb 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1oum s VAL 64 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1oum n GLY 65 N 2.63 1.22 0.18 4.51 0.00 -1.25 -4.45 105.19 108.02 1oum n GLY 65 Ca -0.06 -1.68 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 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 0.72 -0.60 -0.61 2.04 -1.68 -2.30 117.51 115.08 1oum h ILE 66 Ca 0.00 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1oum h ILE 66 Cb 0.00 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1oum h ILE 66 CO 0.00 0.03 0.40 -0.65 0.00 0.00 0.00 178.15 177.93 1oum h PRO 67 N 0.16 0.66 0.43 2.37 0.11 -1.90 -0.71 132.00 133.12 1oum h PRO 67 Ca 0.21 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1oum h PRO 67 Cb 0.29 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1oum h PRO 67 CO -0.31 0.44 -0.20 1.03 -0.21 0.00 0.00 178.00 178.74 1oum h SER 68 N 0.68 -0.48 0.08 -2.05 0.87 -1.68 -3.24 113.55 107.74 1oum h SER 68 Ca 0.24 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1oum h SER 68 Cb 0.11 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1oum h SER 68 CO -0.07 -0.05 -0.02 0.00 -0.53 0.00 0.00 176.83 176.16 1oum h SER 70 N 0.00 0.71 0.07 0.00 0.02 -1.18 -1.27 113.55 111.90 1oum h SER 70 Ca -0.00 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1oum h SER 70 Cb 0.07 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1oum h SER 70 CO 0.00 0.79 -0.03 0.40 -1.14 0.00 0.00 176.83 176.85 1oum h ILE 71 N 0.69 1.18 -0.12 3.27 2.04 -1.42 -2.57 117.51 120.58 1oum h ILE 71 Ca 0.13 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1oum h ILE 71 Cb 0.46 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1oum h ILE 71 CO 0.02 0.24 0.03 1.88 0.00 0.00 0.00 178.15 180.32 1oum h TYR 72 N -0.54 0.19 -0.61 1.37 0.05 -1.51 -1.41 116.97 114.52 1oum h TYR 72 Ca -0.01 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1oum h TYR 72 Cb 0.46 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 1oum h TYR 72 CO 0.07 0.33 0.32 1.79 -1.05 0.00 0.00 178.16 179.61 1oum h THR 73 N -0.00 1.20 -0.10 -2.88 1.35 -1.36 -0.61 112.91 110.52 1oum h THR 73 Ca 0.04 -0.53 0.02 0.00 -0.55 0.00 0.00 66.41 65.39 1oum h THR 73 Cb 0.23 0.44 -0.02 0.00 -1.73 0.00 0.00 68.15 67.07 1oum h THR 73 CO -0.00 0.22 -0.03 0.50 -0.25 0.00 0.00 175.52 175.96 1oum h LYS 74 N 0.83 -0.01 -0.69 4.72 3.11 -1.33 -1.50 116.57 121.70 1oum h LYS 74 Ca 0.21 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.98 1oum h LYS 74 Cb 0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.27 1oum h LYS 74 CO -0.03 -0.00 0.16 0.93 -2.81 0.00 0.00 179.45 177.69 1oum h GLU 75 N -0.01 1.10 -0.85 1.90 5.08 -1.08 -0.90 114.58 119.83 1oum h GLU 75 Ca 0.05 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1oum h GLU 75 Cb 0.08 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 1oum h GLU 75 CO -0.11 0.98 0.53 -0.07 -1.00 0.00 0.00 179.01 179.35 1oum h LEU 76 N 1.03 0.84 -0.05 1.33 3.38 -0.83 0.43 115.31 121.45 1oum h LEU 76 Ca 0.21 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1oum h LEU 76 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1oum h LEU 76 CO 0.00 0.55 -0.23 0.40 0.09 0.00 0.00 178.44 179.26 1oum h ILE 77 N 0.99 1.45 0.00 1.22 2.04 -0.95 -2.11 117.51 120.15 1oum h ILE 77 Ca 0.36 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.55 1oum h ILE 77 Cb 0.12 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1oum h ILE 77 CO -0.16 0.47 -0.78 0.71 0.00 0.00 0.00 178.15 178.39 1oum h THR 78 N -0.30 0.00 0.00 -0.27 1.35 -1.11 -3.33 112.91 109.25 1oum h THR 78 Ca -0.01 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1oum h THR 78 Cb 0.88 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1oum h THR 78 CO 0.05 0.00 -0.61 0.47 -0.25 0.00 0.00 175.52 175.18 1oum n ASP 79 N -2.55 2.41 -0.14 5.36 8.00 0.13 -4.75 116.55 125.01 1oum n ASP 79 Ca 0.01 -0.26 0.08 0.00 0.71 0.00 0.00 54.79 55.33 1oum n ASP 79 Cb 0.51 1.05 0.11 0.00 -0.02 0.00 0.00 41.12 42.77 1oum n ASP 79 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1oum n PHE 80 N -1.32 0.00 -1.24 1.24 3.01 -0.96 -4.53 117.46 113.66 1oum n PHE 80 Ca -0.00 -0.79 -0.10 0.00 1.01 0.00 0.00 57.45 57.57 1oum n PHE 80 Cb 0.04 -0.13 -0.04 0.00 -0.01 0.00 0.00 39.48 39.34 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 -1.12 0.95 3.74 1.37 0.00 -1.17 -4.68 105.19 104.27 1oum n GLY 81 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.80 2.55 -0.06 1.61 1.01 -0.84 -4.75 120.40 118.13 1oum s VAL 82 Ca 0.00 0.46 0.13 0.00 0.00 0.00 0.00 61.98 62.57 1oum s VAL 82 Cb 0.00 -3.29 -0.20 0.00 0.00 0.00 0.00 36.38 32.89 1oum s VAL 82 CO 0.00 0.07 0.21 0.29 0.00 0.00 0.00 175.10 175.67 1oum n LYS 83 N 2.53 0.97 -3.99 2.72 5.02 0.65 -4.46 118.16 121.60 1oum n LYS 83 Ca 0.08 -0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 1oum n LYS 83 Cb 0.39 -1.34 -0.15 0.00 -0.02 0.00 0.00 35.03 33.91 1oum n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1oum s LYS 84 N -2.74 0.31 -0.21 1.97 1.02 -0.73 -1.72 119.74 117.65 1oum s LYS 84 Ca -0.06 -0.01 0.02 0.00 0.02 0.00 0.00 55.97 55.93 1oum s LYS 84 Cb 0.07 -0.40 0.04 0.00 -0.52 0.00 0.00 37.83 37.01 1oum s LYS 84 CO 0.58 -0.05 -0.15 0.42 -0.92 0.00 0.00 175.35 175.23 1oum s ILE 85 N 0.56 1.99 -0.14 2.17 1.09 -0.72 -0.36 121.20 125.79 1oum s ILE 85 Ca -0.06 -1.15 -0.04 0.00 -1.10 0.00 0.00 60.65 58.30 1oum s ILE 85 Cb -0.09 -1.94 -0.03 0.00 -1.06 0.00 0.00 42.46 39.34 1oum s ILE 85 CO -0.01 0.30 0.02 -0.63 -0.10 0.00 0.00 174.94 174.52 1oum s ILE 86 N 1.26 4.42 -0.12 2.92 1.01 -0.41 -1.57 121.20 128.71 1oum s ILE 86 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 1oum s ILE 86 Cb -0.16 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1oum s ILE 86 CO -0.10 0.53 0.05 0.00 0.00 0.00 0.00 174.94 175.42 1oum s ARG 87 N -0.16 3.40 -0.28 2.79 1.70 0.02 0.03 118.95 126.46 1oum s ARG 87 Ca 0.05 -0.33 0.02 0.00 -0.47 0.00 0.00 55.73 55.01 1oum s ARG 87 Cb -0.12 -3.01 0.07 0.00 -0.57 0.00 0.00 34.95 31.32 1oum s ARG 87 CO 0.02 0.58 -0.03 0.14 -1.08 0.00 0.00 175.30 174.93 1oum s VAL 88 N -0.51 1.84 0.00 4.99 -7.23 -0.77 -0.90 120.40 117.81 1oum s VAL 88 Ca 0.10 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1oum s VAL 88 Cb -0.12 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1oum s VAL 88 CO 0.02 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 1oum n GLY 89 N 4.51 5.52 3.34 2.32 0.00 -0.43 -4.03 105.19 116.43 1oum n GLY 89 Ca -0.07 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 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 1.00 2.78 0.08 1.61 1.04 -1.26 -2.12 113.70 116.83 1oum s SER 90 Ca 0.00 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.54 1oum s SER 90 Cb 0.00 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1oum s SER 90 CO 0.00 -0.02 0.02 0.00 0.98 0.00 0.00 173.24 174.23 1oum s GLY 92 N -2.95 2.32 0.17 0.00 0.00 0.26 -2.36 107.32 104.75 1oum s GLY 92 Ca 0.12 -0.45 -0.18 0.00 0.00 0.00 0.00 44.72 44.21 1oum s GLY 92 CO -0.06 -0.18 0.65 0.00 0.00 0.00 0.00 173.10 173.51 1oum s ALA 93 N -1.18 3.49 -0.01 3.20 0.00 0.91 -0.11 121.76 128.07 1oum s ALA 93 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1oum s ALA 93 Cb -0.14 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1oum s ALA 93 CO 0.13 0.38 0.00 1.33 0.00 0.00 0.00 175.76 177.59 1oum n VAL 94 N 0.96 0.03 -3.01 0.00 0.24 -1.26 -1.79 118.33 113.50 1oum n VAL 94 Ca -0.05 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.34 61.84 1oum n VAL 94 Cb 0.51 -0.88 -0.05 0.00 -1.47 0.00 0.00 33.84 31.95 1oum n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1oum s LEU 95 N -4.26 4.35 0.53 1.34 1.43 -1.26 -4.77 118.68 116.04 1oum s LEU 95 Ca -0.00 1.27 0.20 0.00 -1.03 0.00 0.00 54.13 54.57 1oum s LEU 95 Cb 0.00 -3.15 1.37 0.00 0.03 0.00 0.00 46.19 44.45 1oum s LEU 95 CO 0.02 -0.10 2.12 -0.65 0.23 0.00 0.00 176.35 177.97 1oum h PRO 96 N 6.54 0.00 -0.03 1.29 0.11 -1.98 -1.94 132.00 135.99 1oum h PRO 96 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1oum h PRO 96 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1oum h PRO 96 CO 0.74 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 176.14 1oum n HIS 97 N -4.39 0.03 -3.35 0.65 1.44 -1.26 -4.60 115.22 103.73 1oum n HIS 97 Ca 0.00 -0.01 -0.45 0.00 -2.01 0.00 0.00 57.72 55.25 1oum n HIS 97 Cb 0.24 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.28 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 -1.97 5.21 0.65 0.61 1.01 -0.73 -5.06 120.40 120.12 1oum s VAL 98 Ca 0.40 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1oum s VAL 98 Cb 0.20 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.43 1oum s VAL 98 CO 0.33 -0.69 0.94 -0.54 0.00 0.00 0.00 175.10 175.14 1oum s LYS 99 N 1.69 2.32 0.62 2.72 -0.14 -1.26 -4.85 119.74 120.84 1oum s LYS 99 Ca 0.04 -0.41 -0.18 0.00 -1.36 0.00 0.00 55.97 54.06 1oum s LYS 99 Cb -0.26 -2.27 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1oum s LYS 99 CO 0.06 -1.06 1.23 -0.51 -0.76 0.00 0.00 175.35 174.30 1oum s LEU 100 N -5.09 3.61 -1.21 3.17 2.01 -1.26 -3.04 118.68 116.87 1oum s LEU 100 Ca 0.59 2.43 -0.08 0.00 0.01 0.00 0.00 54.13 57.08 1oum s LEU 100 Cb -0.11 -4.60 0.01 0.00 0.01 0.00 0.00 46.19 41.50 1oum s LEU 100 CO 0.43 -1.75 1.05 0.54 1.01 0.00 0.00 176.35 177.64 1oum n ARG 101 N -1.78 -7.09 -4.58 1.70 1.74 -1.00 -4.97 116.66 100.69 1oum n ARG 101 Ca 0.14 0.74 -0.34 0.00 -0.77 0.00 0.00 57.85 57.62 1oum n ARG 101 Cb 0.49 -5.51 -0.12 0.00 -1.02 0.00 0.00 32.46 26.30 1oum n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1oum s ASP 102 N -3.30 4.64 -0.29 0.55 3.68 -1.17 -4.91 116.67 115.86 1oum s ASP 102 Ca 0.51 -0.08 -0.20 0.00 2.13 0.00 0.00 52.55 54.92 1oum s ASP 102 Cb -0.23 -1.38 -0.01 0.00 -1.45 0.00 0.00 42.92 39.85 1oum s ASP 102 CO 0.65 0.29 0.60 -0.69 0.13 0.00 0.00 175.17 176.15 1oum s VAL 103 N -0.39 4.98 -0.13 1.11 1.01 -1.26 -2.06 120.40 123.66 1oum s VAL 103 Ca 0.06 0.86 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 1oum s VAL 103 Cb -0.12 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1oum s VAL 103 CO 0.02 -0.07 -0.07 -0.69 0.00 0.00 0.00 175.10 174.29 1oum s VAL 104 N 2.51 3.59 -0.19 2.92 1.01 0.13 -1.63 120.40 128.74 1oum s VAL 104 Ca 0.24 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1oum s VAL 104 Cb -0.15 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 1oum s VAL 104 CO 0.11 0.53 -0.10 -0.63 0.00 0.00 0.00 175.10 175.01 1oum s ILE 105 N 0.07 3.01 -0.89 2.22 1.01 0.32 -0.10 121.20 126.83 1oum s ILE 105 Ca -0.02 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.79 1oum s ILE 105 Cb -0.14 -2.33 0.10 0.00 0.01 0.00 0.00 42.46 40.11 1oum s ILE 105 CO 0.03 0.47 1.16 -0.83 0.00 0.00 0.00 174.94 175.78 1oum s GLY 106 N 1.15 1.67 0.33 6.18 0.00 -0.44 -1.99 107.32 114.20 1oum s GLY 106 Ca 0.01 -2.46 0.08 0.00 0.00 0.00 0.00 44.72 42.35 1oum s GLY 106 CO -0.03 2.17 1.77 1.98 0.00 0.00 0.00 173.10 178.99 1oum h MET 107 N 9.19 0.21 -4.32 2.90 4.05 -1.52 -3.39 114.93 122.04 1oum h MET 107 Ca 0.07 -0.08 -0.15 0.00 -0.28 0.00 0.00 59.70 59.26 1oum h MET 107 Cb 1.03 -0.01 -0.15 0.00 -0.80 0.00 0.00 31.60 31.67 1oum h MET 107 CO 1.19 0.52 -0.67 0.20 0.23 0.00 0.00 176.91 178.38 1oum s GLY 108 N -4.19 0.67 -0.12 1.39 0.00 -1.15 -1.12 107.32 102.79 1oum s GLY 108 Ca -0.04 -1.31 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 1oum s GLY 108 CO 0.76 -1.34 0.11 0.00 0.00 0.00 0.00 173.10 172.62 1oum s ALA 109 N -3.95 0.18 0.82 3.20 0.00 0.05 -1.48 121.76 120.57 1oum s ALA 109 Ca 0.13 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 1oum s ALA 109 Cb 0.08 -0.89 0.08 0.00 0.00 0.00 0.00 23.12 22.39 1oum s ALA 109 CO -0.06 -0.84 1.12 0.00 0.00 0.00 0.00 175.76 175.98 1oum s THR 111 N -3.29 0.00 -0.12 0.00 -1.32 -1.26 -0.46 115.64 109.19 1oum s THR 111 Ca 0.61 -0.06 0.19 0.00 -1.21 0.00 0.00 61.69 61.22 1oum s THR 111 Cb -0.13 -1.06 -0.21 0.00 -1.51 0.00 0.00 72.50 69.58 1oum s THR 111 CO 0.53 0.00 0.55 0.47 -2.21 0.00 0.00 174.62 173.96 1oum n ASP 112 N -0.38 0.39 -4.73 8.08 10.43 -1.09 -4.96 116.55 124.29 1oum n ASP 112 Ca -0.16 0.17 -0.32 0.00 2.57 0.00 0.00 54.79 57.05 1oum n ASP 112 Cb 0.65 0.92 0.11 0.00 1.84 0.00 0.00 41.12 44.64 1oum n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1oum s SER 113 N -5.31 3.96 0.00 -2.24 0.15 -1.26 -4.91 113.70 104.09 1oum s SER 113 Ca -0.06 2.07 0.16 0.00 0.70 0.00 0.00 55.95 58.82 1oum s SER 113 Cb 0.10 -2.55 0.26 0.00 -1.71 0.00 0.00 66.02 62.11 1oum s SER 113 CO 0.84 -2.41 1.16 1.17 1.20 0.00 0.00 173.24 175.21 1oum n LYS 114 N -3.49 1.89 -0.30 5.44 4.81 -1.26 -4.65 118.16 120.60 1oum n LYS 114 Ca 0.11 -1.81 -0.05 0.00 -0.87 0.00 0.00 58.31 55.69 1oum n LYS 114 Cb 0.52 -1.34 0.07 0.00 0.02 0.00 0.00 35.03 34.30 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 3.09 1.24 0.00 3.15 -1.51 -2.00 -1.42 116.25 118.81 1oum h VAL 115 Ca 0.00 -0.61 -0.11 0.00 -1.23 0.00 0.00 66.70 64.75 1oum h VAL 115 Cb 0.74 0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 30.04 1oum h VAL 115 CO 0.00 0.27 -0.51 0.78 -1.23 0.00 0.00 177.57 176.89 1oum h ASN 116 N 1.14 0.00 -0.05 4.19 2.35 -1.93 -2.35 115.58 118.93 1oum h ASN 116 Ca 0.29 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.88 1oum h ASN 116 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1oum h ASN 116 CO -0.05 0.51 -0.49 0.03 -1.65 0.00 0.00 177.43 175.78 1oum h ARG 117 N 0.00 0.61 -0.74 0.81 3.08 -1.72 0.23 114.38 116.66 1oum h ARG 117 Ca -0.01 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 1oum h ARG 117 Cb 1.07 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 1oum h ARG 117 CO 0.07 0.96 0.34 0.82 -1.07 0.00 0.00 179.97 181.09 1oum h ILE 118 N 0.48 1.24 0.01 2.04 1.08 -1.03 0.21 117.51 121.54 1oum h ILE 118 Ca 0.02 -0.68 -0.24 0.00 -0.39 0.00 0.00 64.86 63.57 1oum h ILE 118 Cb 1.03 0.30 0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1oum h ILE 118 CO 0.10 0.29 -0.99 0.03 -0.69 0.00 0.00 178.15 176.88 1oum h ARG 119 N 1.05 0.47 -0.91 2.37 3.08 -1.07 -3.37 114.38 116.00 1oum h ARG 119 Ca 0.25 -0.53 -0.58 0.00 0.07 0.00 0.00 59.98 59.19 1oum h ARG 119 Cb 0.12 0.15 -0.30 0.00 0.08 0.00 0.00 29.97 30.03 1oum h ARG 119 CO -0.03 1.17 0.52 0.34 -1.07 0.00 0.00 179.97 180.90 1oum n PHE 120 N -3.76 2.95 -3.97 3.04 7.35 0.79 -4.93 117.46 118.94 1oum n PHE 120 Ca -0.08 -2.55 -0.30 0.00 -0.76 0.00 0.00 57.45 53.75 1oum n PHE 120 Cb 0.86 -1.12 0.01 0.00 0.35 0.00 0.00 39.48 39.58 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 -0.96 -4.68 -1.45 -4.13 4.76 -1.11 -1.50 118.16 109.10 1oum n LYS 121 Ca 0.57 0.53 -0.15 0.00 -2.87 0.00 0.00 58.31 56.38 1oum n LYS 121 Cb 0.95 -5.27 -0.07 0.00 -1.84 0.00 0.00 35.03 28.81 1oum n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1oum n ASP 122 N -2.83 -5.13 -3.52 4.39 4.64 0.71 -5.00 116.55 109.80 1oum n ASP 122 Ca -0.02 0.38 -0.11 0.00 -1.38 0.00 0.00 54.79 53.66 1oum n ASP 122 Cb 0.55 -3.99 0.03 0.00 -1.04 0.00 0.00 41.12 36.67 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 -2.46 -2.25 -3.05 -0.67 8.25 -0.56 -5.01 115.22 109.47 1oum n HIS 123 Ca -0.15 -1.13 -0.43 0.00 -0.26 0.00 0.00 57.72 55.74 1oum n HIS 123 Cb 0.55 -0.28 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 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 -2.84 6.32 -0.25 0.41 1.11 -1.26 -4.58 116.67 115.58 1oum s ASP 124 Ca 0.28 -0.43 -0.12 0.00 0.18 0.00 0.00 52.55 52.46 1oum s ASP 124 Cb -0.02 -2.34 -0.05 0.00 1.07 0.00 0.00 42.92 41.58 1oum s ASP 124 CO 0.18 -0.91 0.24 0.12 1.18 0.00 0.00 175.17 175.99 1oum s PHE 125 N 3.05 3.28 -0.63 4.23 5.36 -1.26 -5.02 117.98 126.99 1oum s PHE 125 Ca 0.24 0.28 -0.27 0.00 -0.96 0.00 0.00 56.93 56.21 1oum s PHE 125 Cb -0.15 -2.40 0.03 0.00 -0.34 0.00 0.00 43.02 40.17 1oum s PHE 125 CO 0.18 -0.08 1.20 0.00 -1.46 0.00 0.00 175.22 175.06 1oum s ALA 126 N 1.52 2.93 -0.56 11.12 0.00 -1.26 -4.96 121.76 130.56 1oum s ALA 126 Ca 0.10 -1.05 -0.28 0.00 0.00 0.00 0.00 51.96 50.74 1oum s ALA 126 Cb -0.15 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 18.89 1oum s ALA 126 CO 0.08 -2.84 1.56 0.00 0.00 0.00 0.00 175.76 174.56 1oum s ALA 127 N 5.12 2.65 0.24 0.00 0.00 -1.26 -4.98 121.76 123.53 1oum s ALA 127 Ca 0.39 -0.60 0.11 0.00 0.00 0.00 0.00 51.96 51.87 1oum s ALA 127 Cb -0.08 -4.15 -0.05 0.00 0.00 0.00 0.00 23.12 18.84 1oum s ALA 127 CO 0.21 -3.16 -0.21 0.96 0.00 0.00 0.00 175.76 173.57 1oum s ILE 128 N 6.88 2.36 0.83 0.00 -4.36 -1.26 -0.77 121.20 124.87 1oum s ILE 128 Ca 0.58 -2.25 -0.11 0.00 -0.26 0.00 0.00 60.65 58.61 1oum s ILE 128 Cb -0.12 -2.20 0.12 0.00 1.25 0.00 0.00 42.46 41.51 1oum s ILE 128 CO 0.24 -0.32 1.17 0.00 0.24 0.00 0.00 174.94 176.27 1oum s ALA 129 N -2.25 2.76 0.00 2.27 0.00 -0.28 -4.83 121.76 119.44 1oum s ALA 129 Ca 0.26 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 1oum s ALA 129 Cb -0.06 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1oum s ALA 129 CO 0.12 -1.83 0.97 0.34 0.00 0.00 0.00 175.76 175.37 1oum s ASP 130 N -4.70 7.36 0.15 0.00 -1.08 -0.47 -4.95 116.67 112.98 1oum s ASP 130 Ca 0.66 1.65 -0.18 0.00 -0.52 0.00 0.00 52.55 54.16 1oum s ASP 130 Cb -0.08 -2.57 0.04 0.00 -1.46 0.00 0.00 42.92 38.86 1oum s ASP 130 CO 0.49 -0.25 1.68 0.15 0.52 0.00 0.00 175.17 177.76 1oum h PHE 131 N 6.77 -0.17 -0.81 -5.34 3.57 -1.95 -2.36 116.94 116.65 1oum h PHE 131 Ca -0.41 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 1oum h PHE 131 Cb 1.22 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 1oum h PHE 131 CO 0.68 -0.14 0.48 -0.44 -2.23 0.00 0.00 178.31 176.66 1oum h ASP 132 N -0.00 0.98 -0.43 0.41 3.32 -1.99 -1.25 116.42 117.45 1oum h ASP 132 Ca 0.15 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1oum h ASP 132 Cb 0.23 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1oum h ASP 132 CO -0.32 0.76 0.10 0.24 -1.72 0.00 0.00 179.24 178.30 1oum h MET 133 N 1.12 0.77 -0.15 3.56 2.86 -1.86 0.11 114.93 121.35 1oum h MET 133 Ca 0.29 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1oum h MET 133 Cb -0.03 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1oum h MET 133 CO -0.05 0.72 0.01 0.28 1.06 0.00 0.00 176.91 178.93 1oum h VAL 134 N 0.74 1.24 -0.63 -2.22 2.07 -0.89 -1.97 116.25 114.59 1oum h VAL 134 Ca 0.16 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 1oum h VAL 134 Cb 0.31 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1oum h VAL 134 CO 0.00 0.23 0.33 -0.09 0.02 0.00 0.00 177.57 178.07 1oum h ARG 135 N 0.01 0.90 -0.98 1.57 2.43 -0.98 -1.39 114.38 115.93 1oum h ARG 135 Ca 0.04 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1oum h ARG 135 Cb 0.35 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 1oum h ARG 135 CO 0.01 0.70 0.64 -0.91 -1.51 0.00 0.00 179.97 178.89 1oum h ASN 136 N 0.87 1.05 -0.39 -3.80 2.35 -0.69 -1.44 115.58 113.52 1oum h ASN 136 Ca 0.22 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 1oum h ASN 136 Cb 0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1oum h ASN 136 CO -0.03 0.71 -0.16 0.00 -1.65 0.00 0.00 177.43 176.29 1oum h ALA 137 N 1.41 0.55 -0.53 -0.83 0.00 -0.77 -0.56 119.26 118.53 1oum h ALA 137 Ca 0.40 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1oum h ALA 137 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1oum h ALA 137 CO -0.14 0.48 0.22 0.28 0.00 0.00 0.00 179.25 180.10 1oum h VAL 138 N 0.61 1.21 -0.52 0.00 2.07 -0.90 -0.32 116.25 118.41 1oum h VAL 138 Ca 0.09 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 1oum h VAL 138 Cb 0.71 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1oum h VAL 138 CO 0.05 0.25 -0.05 0.44 0.02 0.00 0.00 177.57 178.28 1oum h ASP 139 N 0.71 0.90 -0.55 0.57 3.45 -1.19 0.52 116.42 120.82 1oum h ASP 139 Ca 0.18 -0.26 -0.10 0.00 0.43 0.00 0.00 57.03 57.28 1oum h ASP 139 Cb 0.18 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.69 1oum h ASP 139 CO -0.02 0.98 -0.05 0.00 -1.57 0.00 0.00 179.24 178.59 1oum h ALA 140 N 1.11 0.84 -0.36 3.45 0.00 -0.85 -1.01 119.26 122.43 1oum h ALA 140 Ca 0.15 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1oum h ALA 140 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1oum h ALA 140 CO 0.03 0.66 0.13 0.00 0.00 0.00 0.00 179.25 180.07 1oum h ALA 141 N 1.01 0.48 -0.15 0.00 0.00 -0.71 -2.43 119.26 117.45 1oum h ALA 141 Ca 0.16 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1oum h ALA 141 Cb 0.60 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1oum h ALA 141 CO 0.04 0.10 -0.06 -0.22 0.00 0.00 0.00 179.25 179.10 1oum h LYS 142 N 0.44 -0.04 -0.08 0.00 3.64 -0.60 -0.11 116.57 119.81 1oum h LYS 142 Ca 0.12 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1oum h LYS 142 Cb 0.23 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1oum h LYS 142 CO -0.01 -0.03 0.11 0.00 -2.27 0.00 0.00 179.45 177.26 1oum h ALA 143 N 1.09 1.58 -0.58 5.00 0.00 -1.03 0.11 119.26 125.43 1oum h ALA 143 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1oum h ALA 143 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1oum h ALA 143 CO -0.18 -0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.20 1oum n LEU 144 N -3.69 3.16 -2.53 0.00 4.77 -0.36 -4.93 117.00 113.42 1oum n LEU 144 Ca -0.01 -1.57 -0.17 0.00 -0.03 0.00 0.00 56.01 54.24 1oum n LEU 144 Cb 0.21 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1oum n LEU 144 CO 0.26 0.78 0.10 0.61 -1.33 0.00 0.00 177.39 177.81 1oum n GLY 145 N 1.44 -0.16 3.19 -0.72 0.00 0.38 -5.02 105.19 104.31 1oum n GLY 145 Ca 0.20 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.13 1.68 -0.18 -0.61 1.01 -0.20 -5.02 121.20 114.75 1oum s ILE 146 Ca 0.34 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 1oum s ILE 146 Cb -0.15 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1oum s ILE 146 CO 0.42 0.48 0.76 -1.81 0.00 0.00 0.00 174.94 174.78 1oum s ASP 147 N -0.09 6.86 -0.12 3.58 1.01 -1.26 -3.76 116.67 122.89 1oum s ASP 147 Ca -0.02 1.05 0.02 0.00 0.71 0.00 0.00 52.55 54.31 1oum s ASP 147 Cb -0.12 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 1oum s ASP 147 CO 0.02 -0.35 -0.19 0.00 0.21 0.00 0.00 175.17 174.86 1oum s ALA 148 N 2.06 2.37 -0.14 5.23 0.00 -1.26 -4.26 121.76 125.76 1oum s ALA 148 Ca 0.35 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 1oum s ALA 148 Cb -0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1oum s ALA 148 CO 0.12 0.24 0.34 1.03 0.00 0.00 0.00 175.76 177.49 1oum s ARG 149 N 0.39 4.23 -0.13 0.00 0.52 -0.65 -4.96 118.95 118.37 1oum s ARG 149 Ca -0.15 0.19 -0.01 0.00 -0.52 0.00 0.00 55.73 55.24 1oum s ARG 149 Cb -0.17 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 1oum s ARG 149 CO 0.07 0.26 -0.10 0.08 0.02 0.00 0.00 175.30 175.63 1oum s VAL 150 N 0.37 3.39 -0.69 3.52 1.01 -1.26 -0.52 120.40 126.22 1oum s VAL 150 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1oum s VAL 150 Cb -0.14 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1oum s VAL 150 CO 0.06 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1oum n GLY 151 N 3.30 -0.74 3.80 4.51 0.00 -0.84 -4.94 105.19 110.27 1oum n GLY 151 Ca -0.18 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 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 7.14 0.34 1.61 0.02 -1.26 -1.30 114.94 117.48 1oum s ASN 152 Ca 0.00 1.35 0.08 0.00 -1.02 0.00 0.00 52.86 53.27 1oum s ASN 152 Cb 0.00 -2.39 -0.05 0.00 0.02 0.00 0.00 41.25 38.83 1oum s ASN 152 CO 0.00 0.25 0.10 -0.76 0.02 0.00 0.00 177.10 176.72 1oum s LEU 153 N -1.07 3.19 -0.13 0.60 1.43 -0.55 -0.37 118.68 121.78 1oum s LEU 153 Ca 0.31 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1oum s LEU 153 Cb -0.20 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1oum s LEU 153 CO 0.21 -0.28 -0.15 0.12 0.23 0.00 0.00 176.35 176.48 1oum s PHE 154 N -2.45 2.07 -0.52 0.29 5.36 0.04 -0.09 117.98 122.68 1oum s PHE 154 Ca 0.37 -1.06 -0.16 0.00 -0.96 0.00 0.00 56.93 55.12 1oum s PHE 154 Cb -0.02 -1.51 0.11 0.00 -0.34 0.00 0.00 43.02 41.26 1oum s PHE 154 CO 0.22 -0.56 0.48 -1.12 -1.46 0.00 0.00 175.22 172.77 1oum s SER 155 N 1.20 6.18 0.19 6.13 0.01 0.39 -0.73 113.70 127.07 1oum s SER 155 Ca -0.02 -1.59 -0.17 0.00 1.31 0.00 0.00 55.95 55.48 1oum s SER 155 Cb -0.14 -2.21 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 1oum s SER 155 CO -0.05 -0.80 0.65 0.00 0.41 0.00 0.00 173.24 173.45 1oum s ALA 156 N 1.69 3.48 0.01 1.44 0.00 0.24 -2.69 121.76 125.93 1oum s ALA 156 Ca 0.04 0.03 0.11 0.00 0.00 0.00 0.00 51.96 52.14 1oum s ALA 156 Cb -0.27 -2.69 -0.19 0.00 0.00 0.00 0.00 23.12 19.96 1oum s ALA 156 CO 0.05 0.38 1.00 -0.44 0.00 0.00 0.00 175.76 176.75 1oum h ASP 157 N 3.46 0.00 -3.73 0.00 3.45 -1.90 -3.41 116.42 114.28 1oum h ASP 157 Ca -0.48 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.30 1oum h ASP 157 Cb 1.19 0.00 -0.35 0.00 -0.56 0.00 0.00 39.33 39.61 1oum h ASP 157 CO 0.65 0.92 -0.70 -0.76 -1.57 0.00 0.00 179.24 177.79 1oum s LEU 158 N -6.35 4.17 0.28 1.55 1.43 -1.26 -4.94 118.68 113.56 1oum s LEU 158 Ca -0.01 -1.55 -0.03 0.00 -1.03 0.00 0.00 54.13 51.51 1oum s LEU 158 Cb 0.09 -1.69 0.39 0.00 0.03 0.00 0.00 46.19 45.01 1oum s LEU 158 CO 0.82 -0.31 1.93 0.15 0.23 0.00 0.00 176.35 179.16 1oum h PHE 159 N 7.91 1.15 -3.61 0.29 3.04 -1.98 -3.16 116.94 120.59 1oum h PHE 159 Ca -0.17 0.03 -0.74 0.00 3.98 0.00 0.00 57.97 61.07 1oum h PHE 159 Cb 1.05 -0.38 -0.32 0.00 2.56 0.00 0.00 35.95 38.86 1oum h PHE 159 CO 0.59 0.68 -0.09 0.71 -2.02 0.00 0.00 178.31 178.18 1oum s TYR 160 N -6.01 3.68 0.14 0.41 2.02 -1.26 -5.07 117.35 111.26 1oum s TYR 160 Ca -0.12 -2.53 -0.10 0.00 -0.37 0.00 0.00 57.07 53.95 1oum s TYR 160 Cb 0.19 -3.47 -0.06 0.00 -0.40 0.00 0.00 41.96 38.21 1oum s TYR 160 CO 0.81 -0.88 0.46 -1.54 -1.57 0.00 0.00 175.55 172.82 1oum s SER 161 N 1.08 6.65 0.31 2.29 1.04 -1.20 -4.99 113.70 118.88 1oum s SER 161 Ca 0.20 0.84 0.17 0.00 0.48 0.00 0.00 55.95 57.64 1oum s SER 161 Cb -0.14 -2.20 0.12 0.00 0.10 0.00 0.00 66.02 63.91 1oum s SER 161 CO -0.07 0.09 1.48 1.55 0.98 0.00 0.00 173.24 177.26 1oum h PRO 162 N 3.28 0.00 -4.88 4.02 0.13 -1.97 -3.40 132.00 129.18 1oum h PRO 162 Ca -0.48 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.94 1oum h PRO 162 Cb 1.18 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.13 1oum h PRO 162 CO 0.68 0.41 1.04 0.34 -0.23 0.00 0.00 178.00 180.24 1oum s ASP 163 N -6.41 6.83 0.28 1.44 -1.08 -1.26 -4.82 116.67 111.64 1oum s ASP 163 Ca 0.05 -2.47 0.24 0.00 -0.52 0.00 0.00 52.55 49.85 1oum s ASP 163 Cb 0.07 -2.40 1.01 0.00 -1.46 0.00 0.00 42.92 40.14 1oum s ASP 163 CO 0.73 -0.92 1.73 0.61 0.52 0.00 0.00 175.17 177.84 1oum n GLY 164 N 4.86 -1.29 0.04 2.66 0.00 -1.26 -2.68 105.19 107.52 1oum n GLY 164 Ca 0.29 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.51 1oum n GLY 164 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1oum n GLU 165 N -2.29 0.07 0.16 1.61 4.71 -1.26 -3.11 120.64 120.53 1oum n GLU 165 Ca 0.02 0.21 0.02 0.00 -0.01 0.00 0.00 57.16 57.40 1oum n GLU 165 Cb 0.23 -1.61 0.25 0.00 -1.01 0.00 0.00 31.44 29.30 1oum n GLU 165 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 1oum h MET 166 N 0.00 0.00 -0.16 3.49 4.05 -1.93 -3.08 114.93 117.29 1oum h MET 166 Ca 0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1oum h MET 166 Cb 0.40 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1oum h MET 166 CO 0.00 0.50 -0.15 0.74 0.23 0.00 0.00 176.91 178.23 1oum h PHE 167 N 0.00 0.28 -0.20 1.39 -1.00 -1.78 -0.05 116.94 115.58 1oum h PHE 167 Ca -0.00 -0.04 -0.20 0.00 2.81 0.00 0.00 57.97 60.54 1oum h PHE 167 Cb 1.00 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.49 1oum h PHE 167 CO 0.00 0.42 -0.68 -0.44 -1.61 0.00 0.00 178.31 176.00 1oum h ASP 168 N 0.25 0.90 -0.49 2.17 3.32 -1.75 -2.12 116.42 118.71 1oum h ASP 168 Ca 0.05 -0.54 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 1oum h ASP 168 Cb 0.43 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1oum h ASP 168 CO 0.03 1.33 0.29 0.58 -1.72 0.00 0.00 179.24 179.75 1oum h VAL 169 N 0.56 1.15 -0.84 -1.35 2.07 -1.42 -0.65 116.25 115.78 1oum h VAL 169 Ca -0.02 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1oum h VAL 169 Cb 1.29 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1oum h VAL 169 CO 0.14 0.16 0.54 0.24 0.02 0.00 0.00 177.57 178.67 1oum h MET 170 N 0.65 1.02 -0.28 1.57 2.86 -0.92 -2.15 114.93 117.67 1oum h MET 170 Ca 0.17 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1oum h MET 170 Cb 0.00 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1oum h MET 170 CO -0.03 0.67 -0.01 1.49 1.06 0.00 0.00 176.91 180.10 1oum h GLU 171 N 1.05 0.51 -0.83 1.72 4.81 -0.94 -1.09 114.58 119.81 1oum h GLU 171 Ca 0.34 -0.17 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 1oum h GLU 171 Cb 0.01 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 1oum h GLU 171 CO -0.12 0.67 0.50 -0.22 -0.73 0.00 0.00 179.01 179.11 1oum h LYS 172 N 0.29 0.85 -0.61 1.92 3.64 -0.79 -1.99 116.57 119.87 1oum h LYS 172 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1oum h LYS 172 Cb 0.44 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1oum h LYS 172 CO 0.02 0.56 0.00 0.66 -2.27 0.00 0.00 179.45 178.42 1oum n TYR 173 N -4.68 0.78 -1.53 1.91 4.01 -0.84 -4.93 117.16 111.87 1oum n TYR 173 Ca 0.13 -0.30 -0.09 0.00 -0.16 0.00 0.00 57.90 57.48 1oum n TYR 173 Cb 0.22 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.62 0.76 3.70 2.72 0.00 -0.75 -4.99 105.19 107.25 1oum n GLY 174 Ca 0.13 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.37 2.69 0.15 -0.61 1.09 -0.43 -4.58 121.20 117.14 1oum s ILE 175 Ca 0.00 0.34 0.06 0.00 -1.10 0.00 0.00 60.65 59.95 1oum s ILE 175 Cb 0.00 -3.22 -0.18 0.00 -1.06 0.00 0.00 42.46 38.01 1oum s ILE 175 CO 0.00 0.01 1.34 -0.07 -0.10 0.00 0.00 174.94 176.12 1oum h LEU 176 N 7.78 0.05 -7.00 2.97 3.38 -1.04 -3.39 115.31 118.06 1oum h LEU 176 Ca -0.43 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1oum h LEU 176 Cb 1.21 -0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.77 1oum h LEU 176 CO 0.93 0.96 0.30 -0.83 0.09 0.00 0.00 178.44 179.88 1oum s GLY 177 N -4.64 -0.53 -0.20 0.83 0.00 -1.24 -4.30 107.32 97.24 1oum s GLY 177 Ca -0.00 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 45.77 1oum s GLY 177 CO 0.81 0.60 -0.04 0.14 0.00 0.00 0.00 173.10 174.61 1oum s VAL 178 N -2.35 3.53 0.00 1.40 1.01 0.84 -0.78 120.40 124.05 1oum s VAL 178 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1oum s VAL 178 Cb -0.01 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1oum s VAL 178 CO -0.02 0.44 0.00 -1.84 0.00 0.00 0.00 175.10 173.68 1oum n GLU 179 N 4.36 0.00 -0.42 2.72 -0.00 0.09 -0.57 120.64 126.83 1oum n GLU 179 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1oum n GLU 179 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 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 0.00 0.00 3.44 2.81 -1.26 -0.59 117.12 121.52 1oum n MET 180 Ca 0.00 -0.90 0.00 0.00 -1.81 0.00 0.00 57.70 54.99 1oum n MET 180 Cb 0.00 -0.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 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 0.00 0.28 -0.32 0.03 4.71 -1.26 -1.84 120.64 122.23 1oum n GLU 181 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 1oum n GLU 181 Cb 0.66 -0.61 -0.08 0.00 -1.01 0.00 0.00 31.44 30.40 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 -1.44 -0.49 -0.00 0.62 0.00 -1.26 -0.47 120.51 117.45 1oum n ALA 182 Ca 0.00 0.66 0.11 0.00 0.00 0.00 0.00 53.44 54.20 1oum n ALA 182 Cb 0.11 -0.10 0.53 0.00 0.00 0.00 0.00 19.45 20.00 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 0.36 2.02 -0.17 0.00 0.00 -1.83 0.62 119.26 120.26 1oum h ALA 183 Ca 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1oum h ALA 183 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1oum h ALA 183 CO -0.73 -0.11 -0.36 0.78 0.00 0.00 0.00 179.25 178.84 1oum h GLY 184 N 0.32 0.59 1.03 0.00 0.00 -1.13 -1.68 103.07 102.20 1oum h GLY 184 Ca 0.21 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1oum h GLY 184 CO -0.05 0.63 0.12 -2.22 0.00 0.00 0.00 176.54 175.03 1oum h ILE 185 N 0.18 1.26 -0.19 2.60 2.04 -0.51 -1.55 117.51 121.34 1oum h ILE 185 Ca 0.00 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 1oum h ILE 185 Cb 0.96 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1oum h ILE 185 CO 0.08 0.36 -0.23 1.88 0.00 0.00 0.00 178.15 180.24 1oum h TYR 186 N 0.91 0.38 -0.29 1.37 0.99 -0.91 -0.52 116.97 118.90 1oum h TYR 186 Ca 0.19 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.79 1oum h TYR 186 Cb 0.39 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.02 1oum h TYR 186 CO 0.03 0.55 -0.07 0.78 -0.00 0.00 0.00 178.16 179.46 1oum h GLY 187 N 0.97 0.61 0.97 3.88 0.00 -0.97 -2.42 103.07 106.10 1oum h GLY 187 Ca 0.05 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1oum h GLY 187 CO 0.04 0.45 0.01 -2.08 0.00 0.00 0.00 176.54 174.97 1oum h VAL 188 N 0.32 1.03 -0.85 4.60 2.07 -0.94 -0.20 116.25 122.29 1oum h VAL 188 Ca 0.07 -0.09 0.12 0.00 0.82 0.00 0.00 66.70 67.62 1oum h VAL 188 Cb 0.55 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 1oum h VAL 188 CO 0.03 0.03 0.47 0.00 0.02 0.00 0.00 177.57 178.12 1oum h ALA 189 N 0.97 1.24 -0.14 1.67 0.00 -1.08 0.70 119.26 122.62 1oum h ALA 189 Ca 0.01 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1oum h ALA 189 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1oum h ALA 189 CO -0.00 0.04 -0.33 0.00 0.00 0.00 0.00 179.25 178.95 1oum h ALA 190 N 1.50 0.23 -0.81 0.00 0.00 -1.22 0.26 119.26 119.22 1oum h ALA 190 Ca 0.43 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1oum h ALA 190 Cb 0.48 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1oum h ALA 190 CO -0.29 0.28 0.47 1.49 0.00 0.00 0.00 179.25 181.20 1oum h GLU 191 N 0.09 1.11 -0.54 0.00 4.81 -0.37 -3.01 114.58 116.67 1oum h GLU 191 Ca -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1oum h GLU 191 Cb 0.94 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1oum h GLU 191 CO 0.07 0.79 0.00 1.19 -0.73 0.00 0.00 179.01 180.34 1oum n PHE 192 N -4.36 0.80 -3.15 0.92 3.01 0.18 -5.00 117.46 109.85 1oum n PHE 192 Ca 0.09 -0.53 -0.14 0.00 1.01 0.00 0.00 57.45 57.88 1oum n PHE 192 Cb 0.08 -0.05 0.05 0.00 -0.01 0.00 0.00 39.48 39.55 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 1.01 0.03 0.54 1.37 0.00 -0.27 -4.98 105.19 102.90 1oum n GLY 193 Ca 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.97 0.07 -2.42 4.61 0.00 0.74 -5.02 120.51 114.52 1oum n ALA 194 Ca -0.01 -0.34 -0.27 0.00 0.00 0.00 0.00 53.44 52.82 1oum n ALA 194 Cb 0.54 0.18 -0.15 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.28 1.66 0.07 0.00 1.02 -0.70 -4.51 119.74 115.00 1oum s LYS 195 Ca 0.01 -0.85 -0.06 0.00 0.02 0.00 0.00 55.97 55.09 1oum s LYS 195 Cb -0.00 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 1oum s LYS 195 CO 0.00 0.45 0.11 0.00 -0.92 0.00 0.00 175.35 174.99 1oum s ALA 196 N -0.61 0.02 -0.08 5.17 0.00 -1.26 -1.76 121.76 123.24 1oum s ALA 196 Ca 0.08 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 1oum s ALA 196 Cb -0.09 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.44 1oum s ALA 196 CO 0.00 -0.42 0.38 -1.17 0.00 0.00 0.00 175.76 174.54 1oum s LEU 197 N -2.70 0.57 -0.11 0.00 2.96 -0.61 -1.37 118.68 117.42 1oum s LEU 197 Ca 0.03 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1oum s LEU 197 Cb 0.04 1.40 0.01 0.00 0.50 0.00 0.00 46.19 48.14 1oum s LEU 197 CO -0.09 -0.31 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.54 1oum s THR 198 N -0.58 1.79 -0.06 3.68 2.01 -1.26 -0.80 115.64 120.42 1oum s THR 198 Ca -0.07 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.15 1oum s THR 198 Cb -0.04 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1oum s THR 198 CO 0.03 0.50 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.60 1oum s ILE 199 N 0.68 1.88 0.09 1.82 -1.09 -0.08 -1.33 121.20 123.17 1oum s ILE 199 Ca -0.12 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 57.36 1oum s ILE 199 Cb -0.16 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 1oum s ILE 199 CO 0.03 0.53 -0.08 0.00 -1.23 0.00 0.00 174.94 174.19 1oum s THR 201 N -2.95 3.23 -0.38 0.00 -4.23 -0.90 0.19 115.64 110.60 1oum s THR 201 Ca 0.07 -0.81 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 1oum s THR 201 Cb 0.01 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.53 1oum s THR 201 CO -0.03 0.48 1.03 -0.69 -0.54 0.00 0.00 174.62 174.87 1oum s VAL 202 N -0.86 4.47 -2.59 2.29 1.01 -0.88 -1.87 120.40 121.98 1oum s VAL 202 Ca 0.14 1.39 0.21 0.00 0.00 0.00 0.00 61.98 63.72 1oum s VAL 202 Cb -0.11 -4.43 0.15 0.00 0.00 0.00 0.00 36.38 32.00 1oum s VAL 202 CO 0.04 -0.63 1.16 -1.54 0.00 0.00 0.00 175.10 174.13 1oum n SER 203 N 7.05 2.69 -3.59 3.32 3.41 -1.00 -2.36 113.62 123.14 1oum n SER 203 Ca 0.10 -1.85 -0.11 0.00 -0.26 0.00 0.00 58.87 56.75 1oum n SER 203 Cb 0.48 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1oum n SER 203 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oum s ASP 204 N -1.83 -0.44 -0.39 4.04 -1.08 -1.25 -3.34 116.67 112.38 1oum s ASP 204 Ca 0.24 0.62 -0.03 0.00 -0.52 0.00 0.00 52.55 52.86 1oum s ASP 204 Cb 0.18 0.55 0.10 0.00 -1.46 0.00 0.00 42.92 42.28 1oum s ASP 204 CO 0.29 -0.31 0.17 -2.28 0.52 0.00 0.00 175.17 173.56 1oum s HIS 205 N -0.67 3.54 0.25 -5.34 5.65 0.13 -0.06 115.29 118.78 1oum s HIS 205 Ca -0.01 -2.31 0.28 0.00 0.25 0.00 0.00 55.06 53.27 1oum s HIS 205 Cb -0.02 -3.04 1.53 0.00 -1.18 0.00 0.00 32.58 29.88 1oum s HIS 205 CO 0.00 -0.94 1.85 0.82 -0.65 0.00 0.00 174.74 175.82 1oum h ILE 206 N 6.37 0.00 0.00 0.89 2.04 -1.64 0.21 117.51 125.38 1oum h ILE 206 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1oum h ILE 206 Cb 1.05 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1oum h ILE 206 CO 0.67 0.00 0.00 0.54 0.00 0.00 0.00 178.15 179.36 1oum n ARG 207 N -2.57 0.00 0.00 2.37 5.12 -1.26 -3.98 116.66 116.34 1oum n ARG 207 Ca -0.02 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.95 1oum n ARG 207 Cb 0.16 -0.53 0.24 0.00 -1.16 0.00 0.00 32.46 31.18 1oum n ARG 207 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1oum n THR 208 N -0.36 0.51 -2.79 0.55 -2.24 -1.21 -4.90 114.28 103.83 1oum n THR 208 Ca 0.00 0.13 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 1oum n THR 208 Cb 0.00 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1oum n THR 208 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1oum n HIS 209 N -1.18 -3.62 -3.64 4.78 8.25 0.71 -5.05 115.22 115.47 1oum n HIS 209 Ca 0.05 1.58 -0.08 0.00 -0.26 0.00 0.00 57.72 59.02 1oum n HIS 209 Cb 0.06 -3.77 -0.07 0.00 1.12 0.00 0.00 29.99 27.33 1oum n HIS 209 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1oum s GLU 210 N -1.73 0.58 0.00 -0.41 2.12 -1.04 -4.96 118.70 113.25 1oum s GLU 210 Ca 0.04 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.21 1oum s GLU 210 Cb -0.01 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.58 1oum s GLU 210 CO 0.73 -0.10 0.00 1.04 -0.54 0.00 0.00 175.26 176.39 1oum n GLN 211 N 3.24 0.00 -3.60 4.30 3.00 -1.26 0.18 117.38 123.24 1oum n GLN 211 Ca -0.16 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.72 1oum n GLN 211 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.78 1oum n GLN 211 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1oum s THR 212 N 2.16 0.02 0.00 5.09 -1.32 -1.21 -4.29 115.64 116.09 1oum s THR 212 Ca 0.00 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 1oum s THR 212 Cb 0.00 -1.30 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 1oum s THR 212 CO 0.00 -0.11 0.00 0.41 -2.21 0.00 0.00 174.62 172.71 1oum n THR 213 N -0.34 0.00 0.00 5.08 -1.04 -1.26 -5.15 114.28 111.56 1oum n THR 213 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1oum n THR 213 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 1oum n THR 213 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oum n ALA 214 N 0.00 0.00 0.55 2.41 0.00 -1.26 -4.95 120.51 117.26 1oum n ALA 214 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1oum n ALA 214 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 1.00 0.04 0.00 0.00 -2.03 -2.94 119.26 115.33 1oum h ALA 215 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1oum h ALA 215 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1oum h ALA 215 CO 0.00 0.00 -1.03 0.93 0.00 0.00 0.00 179.25 179.15 1oum h GLU 216 N 0.00 0.16 -0.37 0.00 5.08 -1.99 -2.56 114.58 114.89 1oum h GLU 216 Ca 0.00 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1oum h GLU 216 Cb 0.69 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1oum h GLU 216 CO 0.00 1.05 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.97 1oum h ARG 217 N 0.06 0.66 0.00 2.33 1.12 -1.88 -1.66 114.38 115.01 1oum h ARG 217 Ca -0.06 -0.21 -0.05 0.00 -1.11 0.00 0.00 59.98 58.55 1oum h ARG 217 Cb 1.73 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.63 1oum h ARG 217 CO 0.15 0.77 -0.22 1.96 -3.11 0.00 0.00 179.97 179.52 1oum h GLN 218 N 0.48 0.00 -0.19 0.20 4.20 -1.58 -1.28 115.11 116.94 1oum h GLN 218 Ca 0.11 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 1oum h GLN 218 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1oum h GLN 218 CO 0.02 0.22 -0.34 1.15 -0.67 0.00 0.00 178.83 179.21 1oum h THR 219 N 0.00 1.34 -0.46 -0.54 2.02 -1.01 -2.28 112.91 111.98 1oum h THR 219 Ca -0.00 -1.57 -0.09 0.00 0.77 0.00 0.00 66.41 65.51 1oum h THR 219 Cb 0.59 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1oum h THR 219 CO 0.03 0.48 -0.08 0.74 0.37 0.00 0.00 175.52 177.06 1oum h THR 220 N 0.22 1.26 -0.67 3.16 2.02 -0.95 -1.09 112.91 116.85 1oum h THR 220 Ca 0.01 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.02 1oum h THR 220 Cb 0.94 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1oum h THR 220 CO 0.08 0.40 0.32 0.15 0.37 0.00 0.00 175.52 176.83 1oum h PHE 221 N 0.74 0.97 -0.30 3.16 3.04 -1.19 -1.81 116.94 121.56 1oum h PHE 221 Ca 0.13 -0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.94 1oum h PHE 221 Cb 0.57 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1oum h PHE 221 CO 0.03 0.73 -0.19 -0.91 -2.02 0.00 0.00 178.31 175.95 1oum h ASN 222 N 0.94 0.53 -0.89 0.41 -0.26 -1.06 -2.67 115.58 112.57 1oum h ASN 222 Ca 0.23 -0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1oum h ASN 222 Cb 0.12 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.20 1oum h ASN 222 CO -0.03 0.74 0.50 0.44 -1.06 0.00 0.00 177.43 178.02 1oum h ASP 223 N 0.49 1.11 -0.56 5.81 3.32 -0.60 -0.37 116.42 125.62 1oum h ASP 223 Ca 0.08 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1oum h ASP 223 Cb 0.60 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1oum h ASP 223 CO 0.04 0.88 0.34 -0.03 -1.72 0.00 0.00 179.24 178.75 1oum h MET 224 N 1.25 0.75 -0.64 3.56 1.85 -1.02 0.76 114.93 121.44 1oum h MET 224 Ca 0.32 -0.07 -0.03 0.00 -0.61 0.00 0.00 59.70 59.31 1oum h MET 224 Cb 0.01 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 31.85 1oum h MET 224 CO -0.05 0.54 0.27 0.82 -0.40 0.00 0.00 176.91 178.09 1oum h ILE 225 N 0.75 1.23 -0.69 1.77 1.08 -1.17 -0.24 117.51 120.24 1oum h ILE 225 Ca 0.20 -0.70 -0.04 0.00 -0.39 0.00 0.00 64.86 63.93 1oum h ILE 225 Cb -0.02 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.20 1oum h ILE 225 CO -0.04 0.28 0.27 0.11 -0.69 0.00 0.00 178.15 178.08 1oum h LYS 226 N 0.89 1.01 -0.36 2.37 1.57 -0.62 0.22 116.57 121.66 1oum h LYS 226 Ca 0.21 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1oum h LYS 226 Cb 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1oum h LYS 226 CO -0.02 0.83 0.16 0.82 -0.57 0.00 0.00 179.45 180.67 1oum h ILE 227 N 0.99 1.18 0.32 1.86 2.04 -0.31 0.02 117.51 123.61 1oum h ILE 227 Ca 0.23 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1oum h ILE 227 Cb 0.20 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1oum h ILE 227 CO -0.02 0.19 -0.18 0.00 0.00 0.00 0.00 178.15 178.14 1oum h ALA 228 N 1.00 -0.46 -0.12 1.87 0.00 -0.49 -0.06 119.26 121.00 1oum h ALA 228 Ca 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1oum h ALA 228 Cb 0.16 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1oum h ALA 228 CO -0.01 -0.77 0.07 -0.07 0.00 0.00 0.00 179.25 178.47 1oum h LEU 229 N -0.47 0.15 -1.28 0.00 3.38 -0.88 -2.67 115.31 113.54 1oum h LEU 229 Ca -0.04 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1oum h LEU 229 Cb 0.38 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1oum h LEU 229 CO 0.05 0.19 -0.02 -0.33 0.09 0.00 0.00 178.44 178.42 1oum h GLU 230 N 0.11 0.46 -0.23 1.13 4.39 -0.98 -2.50 114.58 116.96 1oum h GLU 230 Ca 0.04 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1oum h GLU 230 Cb 0.07 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1oum h GLU 230 CO -0.01 0.51 -0.10 0.66 -1.16 0.00 0.00 179.01 178.91 1oum h SER 231 N 0.45 0.34 0.41 1.42 4.64 -0.69 -1.39 113.55 118.73 1oum h SER 231 Ca 0.10 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 1oum h SER 231 Cb 0.32 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1oum h SER 231 CO 0.01 0.48 -0.55 1.62 -0.87 0.00 0.00 176.83 177.53 1oum h VAL 232 N 0.34 1.38 -0.51 0.95 3.04 -1.12 -1.31 116.25 119.02 1oum h VAL 232 Ca 0.07 -1.86 -0.09 0.00 -1.01 0.00 0.00 66.70 63.81 1oum h VAL 232 Cb 0.39 1.95 -0.02 0.00 -2.01 0.00 0.00 31.29 31.60 1oum h VAL 232 CO 0.02 0.54 -0.05 -0.07 -1.01 0.00 0.00 177.57 177.00 1oum h LEU 233 N 0.11 0.93 -1.15 3.16 3.38 -1.20 -2.20 115.31 118.35 1oum h LEU 233 Ca -0.00 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1oum h LEU 233 Cb 1.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1oum h LEU 233 CO 0.08 1.04 -0.10 -0.07 0.09 0.00 0.00 178.44 179.48 1oum h LEU 234 N 0.80 0.45 -1.25 1.67 3.38 -1.09 -2.63 115.31 116.64 1oum h LEU 234 Ca 0.14 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1oum h LEU 234 Cb 0.59 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1oum h LEU 234 CO 0.04 0.60 -0.15 1.23 0.09 0.00 0.00 178.44 180.24 1oum h GLY 235 N 0.89 0.35 1.14 0.83 0.00 -0.71 -3.01 103.07 102.56 1oum h GLY 235 Ca 0.09 -0.23 -0.23 0.00 0.00 0.00 0.00 47.33 46.96 1oum h GLY 235 CO 0.02 0.21 -0.82 -0.55 0.00 0.00 0.00 176.54 175.40 1oum h ASP 236 N 0.30 0.89 0.00 0.19 3.32 -1.06 -3.51 116.42 116.54 1oum h ASP 236 Ca 0.06 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1oum h ASP 236 Cb 0.45 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1oum h ASP 236 CO 0.03 1.43 0.00 0.29 -1.72 0.00 0.00 179.24 179.26