#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mum s HIS 4 N 0.00 3.92 -0.28 -1.77 5.65 -1.26 -5.06 115.29 116.49 1mum s HIS 4 Ca 0.00 1.67 0.03 0.00 0.25 0.00 0.00 55.06 57.01 1mum s HIS 4 Cb 0.00 -2.80 0.07 0.00 -1.18 0.00 0.00 32.58 28.67 1mum s HIS 4 CO 0.00 0.51 -0.06 0.45 -0.65 0.00 0.00 174.74 174.98 1mum s SER 5 N -1.14 4.56 0.27 9.88 0.15 -1.26 -4.98 113.70 121.17 1mum s SER 5 Ca 0.36 -1.56 -0.02 0.00 0.70 0.00 0.00 55.95 55.44 1mum s SER 5 Cb -0.24 -1.58 0.45 0.00 -1.71 0.00 0.00 66.02 62.94 1mum s SER 5 CO 0.27 -0.24 1.86 1.55 1.20 0.00 0.00 173.24 177.88 1mum h PRO 6 N 7.76 1.04 -0.71 5.44 0.13 -1.89 -0.96 132.00 142.81 1mum h PRO 6 Ca -0.16 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 64.98 1mum h PRO 6 Cb 1.04 -0.23 -0.06 0.00 0.13 0.00 0.00 31.00 31.87 1mum h PRO 6 CO 0.48 0.69 0.39 0.78 -0.23 0.00 0.00 178.00 180.11 1mum h GLY 7 N 1.07 1.06 1.01 1.56 0.00 -1.77 0.11 103.07 106.10 1mum h GLY 7 Ca 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1mum h GLY 7 CO -0.21 0.13 0.40 0.50 0.00 0.00 0.00 176.54 177.36 1mum h LYS 8 N 0.69 1.07 -0.57 4.80 1.57 -1.34 -1.63 116.57 121.16 1mum h LYS 8 Ca 0.33 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1mum h LYS 8 Cb 0.26 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1mum h LYS 8 CO -0.21 0.81 0.11 0.00 -0.57 0.00 0.00 179.45 179.59 1mum h ALA 9 N 1.20 1.12 -0.09 3.86 0.00 -0.42 -0.66 119.26 124.28 1mum h ALA 9 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1mum h ALA 9 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1mum h ALA 9 CO -0.04 0.58 0.03 0.35 0.00 0.00 0.00 179.25 180.17 1mum h PHE 10 N 0.86 0.14 -0.89 0.00 3.57 -0.34 0.09 116.94 120.37 1mum h PHE 10 Ca 0.18 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1mum h PHE 10 Cb 0.35 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 1mum h PHE 10 CO 0.02 0.28 0.58 0.00 -2.23 0.00 0.00 178.31 176.97 1mum h ARG 11 N -0.04 1.06 -0.52 1.11 3.08 -1.05 -1.59 114.38 116.43 1mum h ARG 11 Ca 0.03 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1mum h ARG 11 Cb 0.21 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1mum h ARG 11 CO -0.00 0.70 0.11 0.00 -1.07 0.00 0.00 179.97 179.71 1mum h ALA 12 N 1.49 0.69 -1.00 0.04 0.00 -0.74 -2.83 119.26 116.91 1mum h ALA 12 Ca 0.36 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1mum h ALA 12 Cb 0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1mum h ALA 12 CO -0.11 0.41 0.64 0.00 0.00 0.00 0.00 179.25 180.18 1mum h ALA 13 N 0.99 1.43 -0.35 0.00 0.00 -0.02 -0.52 119.26 120.79 1mum h ALA 13 Ca 0.16 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1mum h ALA 13 Cb 0.37 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1mum h ALA 13 CO 0.01 0.35 0.24 -0.07 0.00 0.00 0.00 179.25 179.78 1mum h LEU 14 N 1.10 0.28 -0.36 0.00 3.38 -1.16 -2.42 115.31 116.12 1mum h LEU 14 Ca 0.45 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.24 1mum h LEU 14 Cb 0.29 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1mum h LEU 14 CO -0.21 0.19 -0.82 0.74 0.09 0.00 0.00 178.44 178.43 1mum h THR 15 N 0.32 1.51 -0.64 0.22 2.02 -1.06 -3.28 112.91 112.00 1mum h THR 15 Ca 0.15 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.72 1mum h THR 15 Cb 0.19 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1mum h THR 15 CO -0.03 0.75 0.00 2.29 0.37 0.00 0.00 175.52 178.90 1mum n LYS 16 N -3.65 2.84 -3.32 6.66 2.85 -0.93 -4.74 118.16 117.87 1mum n LYS 16 Ca -0.02 -2.45 -0.09 0.00 -1.05 0.00 0.00 58.31 54.69 1mum n LYS 16 Cb 0.78 -1.62 -0.07 0.00 -0.65 0.00 0.00 35.03 33.47 1mum n LYS 16 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1mum s GLU 17 N -1.34 0.39 0.95 -1.58 2.12 -1.07 -5.09 118.70 113.09 1mum s GLU 17 Ca 0.45 0.24 -0.10 0.00 0.36 0.00 0.00 54.97 55.91 1mum s GLU 17 Cb 0.25 -0.37 0.17 0.00 0.26 0.00 0.00 34.13 34.44 1mum s GLU 17 CO 0.28 -0.92 1.12 -1.71 -0.54 0.00 0.00 175.26 173.49 1mum n ASN 18 N 5.35 0.04 -3.02 -1.70 5.15 -1.26 -2.55 115.26 117.27 1mum n ASN 18 Ca -0.01 0.35 -0.26 0.00 -0.60 0.00 0.00 54.58 54.06 1mum n ASN 18 Cb 0.49 -1.45 0.02 0.00 -0.53 0.00 0.00 39.78 38.32 1mum n ASN 18 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1mum n PRO 19 N -4.31 -1.32 -2.30 1.20 -0.02 -1.24 -4.73 135.00 122.27 1mum n PRO 19 Ca 0.11 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 62.05 1mum n PRO 19 Cb 0.52 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.48 1mum n PRO 19 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1mum s LEU 20 N -2.51 4.19 -0.03 2.45 2.96 -0.12 -4.75 118.68 120.88 1mum s LEU 20 Ca 0.20 1.81 -0.30 0.00 -0.22 0.00 0.00 54.13 55.62 1mum s LEU 20 Cb -0.02 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1mum s LEU 20 CO 0.65 -0.84 0.97 -1.10 -1.32 0.00 0.00 176.35 174.71 1mum s GLN 21 N 3.71 4.52 -0.18 1.98 -0.21 -1.26 -0.93 119.66 127.30 1mum s GLN 21 Ca 0.60 1.39 0.00 0.00 0.02 0.00 0.00 55.36 57.37 1mum s GLN 21 Cb -0.25 -3.48 0.04 0.00 1.00 0.00 0.00 33.01 30.33 1mum s GLN 21 CO 0.19 -0.10 -0.09 0.42 -2.12 0.00 0.00 175.29 173.59 1mum s ILE 22 N 1.22 1.43 -0.09 1.08 1.01 0.03 -4.29 121.20 121.59 1mum s ILE 22 Ca 0.50 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1mum s ILE 22 Cb -0.20 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1mum s ILE 22 CO 0.25 0.21 0.02 0.68 0.00 0.00 0.00 174.94 176.10 1mum s VAL 23 N 1.50 4.48 0.43 2.92 -7.23 -1.23 -1.28 120.40 119.99 1mum s VAL 23 Ca 0.01 -0.19 -0.24 0.00 -1.81 0.00 0.00 61.98 59.74 1mum s VAL 23 Cb -0.15 -2.90 -0.08 0.00 0.56 0.00 0.00 36.38 33.81 1mum s VAL 23 CO -0.08 0.60 1.18 -0.83 -0.31 0.00 0.00 175.10 175.66 1mum s GLY 24 N -0.93 2.83 -0.21 2.32 0.00 0.35 -0.98 107.32 110.70 1mum s GLY 24 Ca 0.14 0.98 -0.00 0.00 0.00 0.00 0.00 44.72 45.84 1mum s GLY 24 CO 0.03 1.48 -0.03 -0.51 0.00 0.00 0.00 173.10 174.07 1mum s THR 25 N -1.46 1.19 0.43 0.90 -4.23 0.02 -4.75 115.64 107.74 1mum s THR 25 Ca 0.60 -0.94 0.17 0.00 -1.18 0.00 0.00 61.69 60.34 1mum s THR 25 Cb -0.31 -1.51 0.19 0.00 1.34 0.00 0.00 72.50 72.22 1mum s THR 25 CO 0.38 -0.09 1.99 -0.29 -0.54 0.00 0.00 174.62 176.07 1mum h ILE 26 N 6.58 1.02 -3.56 2.99 6.09 -1.92 -3.44 117.51 125.28 1mum h ILE 26 Ca -0.19 -0.69 -0.13 0.00 -1.37 0.00 0.00 64.86 62.48 1mum h ILE 26 Cb 1.09 1.39 -0.05 0.00 0.47 0.00 0.00 36.82 39.72 1mum h ILE 26 CO 0.39 0.19 0.02 0.54 -3.07 0.00 0.00 178.15 176.23 1mum s ASN 27 N -6.80 0.37 0.21 2.19 2.20 -1.26 -4.90 114.94 106.94 1mum s ASN 27 Ca -0.04 -1.23 -0.10 0.00 -0.94 0.00 0.00 52.86 50.56 1mum s ASN 27 Cb 0.15 0.73 0.22 0.00 -2.00 0.00 0.00 41.25 40.35 1mum s ASN 27 CO 0.68 -1.44 1.82 0.00 -2.94 0.00 0.00 177.10 175.22 1mum h ALA 28 N 2.08 0.89 -0.59 3.54 0.00 -1.89 -1.96 119.26 121.33 1mum h ALA 28 Ca -0.29 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1mum h ALA 28 Cb 1.25 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1mum h ALA 28 CO 0.38 0.08 0.23 -0.97 0.00 0.00 0.00 179.25 178.97 1mum h ASN 29 N 0.72 0.25 0.79 0.00 -0.73 -1.96 -0.88 115.58 113.77 1mum h ASN 29 Ca 0.29 0.07 -0.06 0.00 1.87 0.00 0.00 56.30 58.47 1mum h ASN 29 Cb 0.14 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 1mum h ASN 29 CO -0.16 0.16 -0.27 0.45 -0.37 0.00 0.00 177.43 177.23 1mum h HIS 30 N 0.42 0.00 -0.49 0.67 3.86 -1.82 -1.88 115.15 115.91 1mum h HIS 30 Ca 0.29 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.42 1mum h HIS 30 Cb 0.33 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 1mum h HIS 30 CO -0.16 0.27 0.01 0.00 0.86 0.00 0.00 177.93 178.92 1mum h ALA 31 N 1.73 0.66 -0.23 2.45 0.00 -0.46 -0.37 119.26 123.04 1mum h ALA 31 Ca -0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1mum h ALA 31 Cb 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1mum h ALA 31 CO 0.04 0.46 -0.22 -0.07 0.00 0.00 0.00 179.25 179.46 1mum h LEU 32 N 0.73 0.42 -0.50 0.00 3.38 -0.89 -1.45 115.31 117.00 1mum h LEU 32 Ca 0.14 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1mum h LEU 32 Cb 0.50 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1mum h LEU 32 CO 0.02 0.65 -0.06 -0.07 0.09 0.00 0.00 178.44 179.07 1mum h LEU 33 N 0.38 0.92 -0.74 1.67 3.38 -0.90 -0.96 115.31 119.07 1mum h LEU 33 Ca 0.06 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1mum h LEU 33 Cb 0.60 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1mum h LEU 33 CO 0.04 1.04 0.29 0.00 0.09 0.00 0.00 178.44 179.90 1mum h ALA 34 N 0.91 0.96 -0.36 1.53 0.00 -0.72 -0.31 119.26 121.27 1mum h ALA 34 Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1mum h ALA 34 Cb 0.61 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1mum h ALA 34 CO 0.04 0.59 0.10 0.37 0.00 0.00 0.00 179.25 180.35 1mum h GLN 35 N 1.07 0.56 0.00 0.00 4.15 -1.11 -1.68 115.11 118.10 1mum h GLN 35 Ca 0.25 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1mum h GLN 35 Cb 0.22 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 1mum h GLN 35 CO -0.02 0.59 -0.01 0.00 -1.93 0.00 0.00 178.83 177.46 1mum h ARG 36 N 0.43 0.00 -0.01 1.69 2.47 -0.82 0.08 114.38 118.21 1mum h ARG 36 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1mum h ARG 36 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1mum h ARG 36 CO -0.00 0.01 -0.02 0.00 0.56 0.00 0.00 179.97 180.52 1mum n ALA 37 N -2.11 2.65 -0.30 0.04 0.00 -0.16 -4.92 120.51 115.72 1mum n ALA 37 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1mum n ALA 37 Cb 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1mum n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mum n GLY 38 N 1.12 0.73 3.78 0.00 0.00 0.01 -5.06 105.19 105.78 1mum n GLY 38 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1mum n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mum s TYR 39 N -2.35 2.70 -0.98 1.61 1.51 -0.79 -4.97 117.35 114.09 1mum s TYR 39 Ca 0.00 1.54 0.09 0.00 -1.01 0.00 0.00 57.07 57.70 1mum s TYR 39 Cb 0.00 -3.16 0.03 0.00 -0.11 0.00 0.00 41.96 38.72 1mum s TYR 39 CO 0.00 -1.56 0.68 1.04 -1.11 0.00 0.00 175.55 174.61 1mum n GLN 40 N -2.12 1.35 -3.62 -0.62 1.13 -1.26 -4.64 117.38 107.60 1mum n GLN 40 Ca 0.10 -0.79 -0.15 0.00 -1.94 0.00 0.00 57.00 54.22 1mum n GLN 40 Cb 0.52 -1.11 -0.07 0.00 0.11 0.00 0.00 30.24 29.69 1mum n GLN 40 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mum s ALA 41 N -1.06 -1.52 0.31 -1.58 0.00 -1.26 -4.26 121.76 112.39 1mum s ALA 41 Ca 0.09 1.39 0.03 0.00 0.00 0.00 0.00 51.96 53.47 1mum s ALA 41 Cb 0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 1mum s ALA 41 CO 0.18 -0.32 0.07 0.96 0.00 0.00 0.00 175.76 176.65 1mum s ILE 42 N -0.48 1.04 0.02 0.00 -4.36 -0.58 -3.54 121.20 113.32 1mum s ILE 42 Ca -0.06 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.36 1mum s ILE 42 Cb -0.03 -2.76 -0.02 0.00 1.25 0.00 0.00 42.46 40.91 1mum s ILE 42 CO 0.05 0.00 -0.10 -0.47 0.24 0.00 0.00 174.94 174.66 1mum s TYR 43 N -3.40 0.84 -0.39 1.37 5.04 -0.16 -1.07 117.35 119.58 1mum s TYR 43 Ca 0.37 -0.31 -0.03 0.00 -2.44 0.00 0.00 57.07 54.65 1mum s TYR 43 Cb 0.09 -0.51 0.10 0.00 0.35 0.00 0.00 41.96 41.98 1mum s TYR 43 CO 0.15 -0.02 0.18 -1.17 -1.34 0.00 0.00 175.55 173.35 1mum s LEU 44 N -0.92 5.02 0.14 6.97 2.96 -0.20 -0.80 118.68 131.85 1mum s LEU 44 Ca -0.01 -1.84 -0.30 0.00 -0.22 0.00 0.00 54.13 51.75 1mum s LEU 44 Cb -0.07 -1.83 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 1mum s LEU 44 CO 0.00 -0.50 1.27 -0.55 -1.32 0.00 0.00 176.35 175.26 1mum s SER 45 N 1.77 6.98 0.21 3.68 0.15 -1.26 -1.94 113.70 123.28 1mum s SER 45 Ca 0.05 2.23 -0.06 0.00 0.70 0.00 0.00 55.95 58.88 1mum s SER 45 Cb -0.22 -2.59 0.16 0.00 -1.71 0.00 0.00 66.02 61.65 1mum s SER 45 CO -0.03 -0.50 1.65 1.23 1.20 0.00 0.00 173.24 176.79 1mum h GLY 46 N 6.10 0.97 2.00 9.45 0.00 -1.97 -0.57 103.07 119.04 1mum h GLY 46 Ca -0.43 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.08 1mum h GLY 46 CO 0.80 0.70 -0.31 -1.33 0.00 0.00 0.00 176.54 176.40 1mum h GLY 47 N 0.96 0.00 1.32 4.60 0.00 -1.95 -2.13 103.07 105.87 1mum h GLY 47 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.22 1mum h GLY 47 CO 0.04 0.00 -0.90 -1.33 0.00 0.00 0.00 176.54 174.36 1mum h GLY 48 N 1.29 0.71 0.94 4.60 0.00 -1.73 -0.21 103.07 108.66 1mum h GLY 48 Ca -0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 47.33 46.19 1mum h GLY 48 CO 0.04 0.99 0.15 -2.08 0.00 0.00 0.00 176.54 175.64 1mum h VAL 49 N 0.40 1.19 0.71 4.60 2.07 -0.84 0.35 116.25 124.72 1mum h VAL 49 Ca -0.08 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1mum h VAL 49 Cb 1.53 0.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1mum h VAL 49 CO 0.17 0.21 -0.34 0.00 0.02 0.00 0.00 177.57 177.63 1mum h ALA 50 N 1.00 -1.06 -0.16 1.67 0.00 -1.37 -1.42 119.26 117.92 1mum h ALA 50 Ca 0.12 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1mum h ALA 50 Cb 0.18 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1mum h ALA 50 CO -0.01 -0.99 -0.45 0.00 0.00 0.00 0.00 179.25 177.79 1mum h ALA 51 N -1.40 0.93 0.00 0.00 0.00 0.56 0.37 119.26 119.71 1mum h ALA 51 Ca -0.10 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1mum h ALA 51 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1mum h ALA 51 CO 0.16 0.64 -0.81 0.41 0.00 0.00 0.00 179.25 179.65 1mum n GLY 52 N -0.00 -0.89 0.15 0.00 0.00 0.12 -2.81 105.19 101.76 1mum n GLY 52 Ca -0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1mum n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1mum h SER 53 N -1.00 0.28 0.00 1.61 0.02 -1.14 -3.34 113.55 109.98 1mum h SER 53 Ca -0.12 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1mum h SER 53 Cb 0.79 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1mum h SER 53 CO -0.07 0.90 -1.00 0.18 -1.14 0.00 0.00 176.83 175.69 1mum n LEU 54 N -3.80 0.31 -1.45 5.07 4.77 -0.63 -5.00 117.00 116.27 1mum n LEU 54 Ca -0.03 -0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 55.55 1mum n LEU 54 Cb 0.69 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.77 1mum n LEU 54 CO 0.46 0.08 -0.16 0.61 -1.33 0.00 0.00 177.39 177.04 1mum n GLY 55 N 1.52 -0.10 3.45 -0.72 0.00 0.32 -4.95 105.19 104.71 1mum n GLY 55 Ca 0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1mum n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mum s LEU 56 N -3.67 2.53 0.78 0.99 1.43 0.10 -4.90 118.68 115.94 1mum s LEU 56 Ca 0.00 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.11 1mum s LEU 56 Cb 0.00 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 45.08 1mum s LEU 56 CO 0.00 0.10 1.08 -2.16 0.23 0.00 0.00 176.35 175.60 1mum s PRO 57 N -2.91 2.21 -1.47 1.29 0.04 -1.26 -1.13 135.00 131.76 1mum s PRO 57 Ca 0.24 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.11 1mum s PRO 57 Cb -0.07 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1mum s PRO 57 CO 0.12 -1.62 2.36 -3.47 0.04 0.00 0.00 177.00 174.43 1mum n ASP 58 N -3.48 5.28 -0.63 6.66 2.03 -1.26 -4.56 116.55 120.60 1mum n ASP 58 Ca 0.08 -2.82 0.05 0.00 0.52 0.00 0.00 54.79 52.61 1mum n ASP 58 Cb 0.54 -1.60 0.20 0.00 -0.72 0.00 0.00 41.12 39.53 1mum n ASP 58 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1mum n LEU 59 N 5.09 3.04 -1.17 -2.67 4.32 -1.26 -4.97 117.00 119.39 1mum n LEU 59 Ca 0.57 -3.63 -0.09 0.00 -0.02 0.00 0.00 56.01 52.84 1mum n LEU 59 Cb 0.35 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1mum n LEU 59 CO 0.87 1.16 -0.07 0.61 -1.22 0.00 0.00 177.39 178.75 1mum n GLY 60 N -1.15 0.07 0.09 -0.72 0.00 -1.26 -4.93 105.19 97.29 1mum n GLY 60 Ca 0.22 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 1mum n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mum n ILE 61 N -3.92 1.31 -1.88 -0.61 5.41 -1.26 -4.91 119.36 113.49 1mum n ILE 61 Ca -0.08 -0.74 -0.37 0.00 1.00 0.00 0.00 62.75 62.56 1mum n ILE 61 Cb 0.57 -0.79 0.04 0.00 -0.71 0.00 0.00 39.64 38.74 1mum n ILE 61 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1mum s SER 62 N -5.82 5.21 0.41 4.38 0.15 -1.26 -5.03 113.70 111.73 1mum s SER 62 Ca -0.04 2.59 0.08 0.00 0.70 0.00 0.00 55.95 59.28 1mum s SER 62 Cb 0.08 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1mum s SER 62 CO 0.82 -1.60 0.32 0.42 1.20 0.00 0.00 173.24 174.40 1mum s THR 63 N -1.42 2.65 0.21 6.45 -4.23 -1.26 -5.00 115.64 113.03 1mum s THR 63 Ca 0.74 -1.44 -0.09 0.00 -1.18 0.00 0.00 61.69 59.72 1mum s THR 63 Cb -0.36 -3.01 0.14 0.00 1.34 0.00 0.00 72.50 70.61 1mum s THR 63 CO 0.41 -0.02 1.81 0.25 -0.54 0.00 0.00 174.62 176.53 1mum h LEU 64 N 1.15 0.57 -1.67 4.79 5.85 -1.96 -2.11 115.31 121.93 1mum h LEU 64 Ca -0.42 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1mum h LEU 64 Cb 1.26 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1mum h LEU 64 CO 0.61 0.37 0.02 0.44 -0.34 0.00 0.00 178.44 179.53 1mum h ASP 65 N 0.70 0.20 -0.60 1.25 3.32 -1.98 0.18 116.42 119.50 1mum h ASP 65 Ca 0.30 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 1mum h ASP 65 Cb 0.18 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1mum h ASP 65 CO -0.18 0.23 0.15 0.44 -1.72 0.00 0.00 179.24 178.16 1mum h ASP 66 N 0.23 0.90 -0.24 6.45 3.32 -1.78 -1.50 116.42 123.81 1mum h ASP 66 Ca 0.06 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.75 1mum h ASP 66 Cb 0.13 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1mum h ASP 66 CO -0.00 0.90 -0.32 0.58 -1.72 0.00 0.00 179.24 178.68 1mum h VAL 67 N 0.86 1.32 -0.95 -1.35 2.07 -1.21 -3.11 116.25 113.88 1mum h VAL 67 Ca 0.19 -1.52 0.05 0.00 0.82 0.00 0.00 66.70 66.24 1mum h VAL 67 Cb 0.35 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1mum h VAL 67 CO 0.00 0.48 0.61 -0.07 0.02 0.00 0.00 177.57 178.61 1mum h LEU 68 N 0.34 0.99 -0.67 2.57 3.38 -0.51 -0.55 115.31 120.87 1mum h LEU 68 Ca 0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1mum h LEU 68 Cb 0.91 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1mum h LEU 68 CO 0.08 0.65 0.43 0.74 0.09 0.00 0.00 178.44 180.44 1mum h THR 69 N 1.14 1.15 -0.25 0.22 2.02 -1.25 -1.04 112.91 114.90 1mum h THR 69 Ca 0.39 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 1mum h THR 69 Cb 0.09 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1mum h THR 69 CO -0.15 0.16 -0.38 0.44 0.37 0.00 0.00 175.52 175.96 1mum h ASP 70 N 0.88 0.59 -0.10 4.18 5.19 -1.33 -1.55 116.42 124.28 1mum h ASP 70 Ca 0.25 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1mum h ASP 70 Cb -0.07 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.27 1mum h ASP 70 CO -0.07 0.92 0.05 0.40 -3.12 0.00 0.00 179.24 177.42 1mum h ILE 71 N 0.47 1.08 -0.37 0.35 2.04 -0.61 -1.61 117.51 118.87 1mum h ILE 71 Ca 0.04 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1mum h ILE 71 Cb 0.87 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1mum h ILE 71 CO 0.07 0.07 0.17 0.03 0.00 0.00 0.00 178.15 178.50 1mum h ARG 72 N 0.07 0.53 -0.39 2.37 3.08 -1.12 -0.25 114.38 118.67 1mum h ARG 72 Ca 0.03 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1mum h ARG 72 Cb 0.07 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1mum h ARG 72 CO -0.01 0.49 0.15 0.00 -1.07 0.00 0.00 179.97 179.53 1mum h ARG 73 N 0.45 0.31 0.22 0.04 3.08 -1.19 0.41 114.38 117.70 1mum h ARG 73 Ca 0.13 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1mum h ARG 73 Cb 0.13 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1mum h ARG 73 CO -0.01 0.21 -0.11 0.82 -1.07 0.00 0.00 179.97 179.80 1mum h ILE 74 N 0.32 0.85 0.00 2.04 2.04 -1.15 -3.28 117.51 118.33 1mum h ILE 74 Ca 0.17 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1mum h ILE 74 Cb 0.14 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1mum h ILE 74 CO -0.16 0.14 0.00 0.71 0.00 0.00 0.00 178.15 178.84 1mum h THR 75 N -0.66 0.00 0.00 -0.27 1.35 -0.99 0.67 112.91 113.00 1mum h THR 75 Ca -0.03 -0.39 -0.08 0.00 -0.55 0.00 0.00 66.41 65.36 1mum h THR 75 Cb 0.47 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1mum h THR 75 CO 0.05 0.00 -0.36 0.44 -0.25 0.00 0.00 175.52 175.40 1mum h ASP 76 N 0.00 0.00 0.00 5.36 3.32 -0.97 -3.34 116.42 120.78 1mum h ASP 76 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1mum h ASP 76 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1mum h ASP 76 CO 0.00 0.36 -1.24 0.55 -1.72 0.00 0.00 179.24 177.19 1mum n VAL 77 N -3.77 0.16 -4.05 -1.35 3.14 -1.10 -4.99 118.33 106.37 1mum n VAL 77 Ca -0.01 -0.14 -0.35 0.00 -2.96 0.00 0.00 64.34 60.88 1mum n VAL 77 Cb 0.44 -0.36 -0.12 0.00 -1.06 0.00 0.00 33.84 32.74 1mum n VAL 77 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1mum n SER 79 N 4.21 0.06 -4.77 0.00 3.41 -1.26 -4.36 113.62 110.90 1mum n SER 79 Ca -0.17 -0.08 -0.38 0.00 -0.26 0.00 0.00 58.87 57.97 1mum n SER 79 Cb 0.52 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1mum n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1mum s LEU 80 N -2.64 4.13 0.19 1.04 1.43 -1.26 -4.94 118.68 116.63 1mum s LEU 80 Ca 0.26 2.47 -0.31 0.00 -1.03 0.00 0.00 54.13 55.52 1mum s LEU 80 Cb 0.20 -4.05 -0.10 0.00 0.03 0.00 0.00 46.19 42.27 1mum s LEU 80 CO 0.48 -0.86 1.48 -2.16 0.23 0.00 0.00 176.35 175.52 1mum s PRO 81 N -2.42 4.26 -0.23 1.29 0.04 -1.26 -4.80 135.00 131.88 1mum s PRO 81 Ca 0.60 2.28 -0.06 0.00 0.04 0.00 0.00 61.00 63.86 1mum s PRO 81 Cb -0.33 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 1mum s PRO 81 CO 0.42 -0.49 0.03 -1.17 0.04 0.00 0.00 177.00 175.82 1mum s LEU 82 N 0.48 3.25 -0.11 -3.56 2.96 -1.26 -1.52 118.68 118.92 1mum s LEU 82 Ca 0.64 -0.26 -0.19 0.00 -0.22 0.00 0.00 54.13 54.11 1mum s LEU 82 Cb -0.42 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 1mum s LEU 82 CO 0.36 -0.01 0.51 -0.22 -1.32 0.00 0.00 176.35 175.66 1mum s LEU 83 N 1.48 4.29 -0.06 -0.68 2.96 -0.24 -0.85 118.68 125.58 1mum s LEU 83 Ca 0.06 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.86 1mum s LEU 83 Cb -0.15 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 1mum s LEU 83 CO 0.01 -0.01 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.20 1mum s VAL 84 N 0.61 3.06 -0.45 1.68 1.01 0.18 -1.03 120.40 125.46 1mum s VAL 84 Ca 0.27 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 1mum s VAL 84 Cb -0.15 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1mum s VAL 84 CO 0.11 0.58 1.06 -0.62 0.00 0.00 0.00 175.10 176.24 1mum s ASP 85 N -0.60 6.63 -0.07 3.32 2.15 -0.82 -1.28 116.67 126.00 1mum s ASP 85 Ca 0.09 0.43 0.17 0.00 0.43 0.00 0.00 52.55 53.68 1mum s ASP 85 Cb -0.11 -2.52 0.59 0.00 -0.30 0.00 0.00 42.92 40.58 1mum s ASP 85 CO 0.01 -1.14 1.50 0.00 -0.17 0.00 0.00 175.17 175.38 1mum n ALA 86 N 7.50 2.71 -0.38 3.66 0.00 -0.55 -4.53 120.51 128.93 1mum n ALA 86 Ca 0.10 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1mum n ALA 86 Cb 0.49 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1mum n ALA 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mum n ASP 87 N 0.93 0.00 -1.10 0.00 8.00 -1.24 -0.90 116.55 122.24 1mum n ASP 87 Ca 0.22 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.80 1mum n ASP 87 Cb 0.73 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 42.09 1mum n ASP 87 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1mum n ILE 88 N 0.00 1.48 0.00 0.53 -5.35 -1.26 -0.76 119.36 114.00 1mum n ILE 88 Ca 0.00 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.27 1mum n ILE 88 Cb 0.00 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 1mum n ILE 88 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mum n GLY 89 N 0.73 0.65 3.46 3.28 0.00 -0.08 -4.66 105.19 108.57 1mum n GLY 89 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1mum n GLY 89 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mum n PHE 90 N -1.45 -2.19 0.00 1.61 3.72 -1.26 -3.96 117.46 113.93 1mum n PHE 90 Ca 0.00 0.73 0.00 0.00 -0.05 0.00 0.00 57.45 58.13 1mum n PHE 90 Cb 0.00 -4.01 0.00 0.00 -0.94 0.00 0.00 39.48 34.53 1mum n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mum n GLY 91 N -1.41 4.28 0.04 1.37 0.00 -1.26 -4.80 105.19 103.40 1mum n GLY 91 Ca -0.13 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.88 1mum n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mum n SER 92 N 0.00 0.63 -4.89 1.61 3.41 -1.26 -4.69 113.62 108.43 1mum n SER 92 Ca 0.00 -0.13 -0.30 0.00 -0.26 0.00 0.00 58.87 58.18 1mum n SER 92 Cb 0.00 0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1mum n SER 92 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1mum s SER 93 N -3.85 6.53 0.56 4.04 0.15 -1.26 -4.96 113.70 114.91 1mum s SER 93 Ca 0.06 0.80 0.24 0.00 0.70 0.00 0.00 55.95 57.75 1mum s SER 93 Cb 0.15 -2.18 1.54 0.00 -1.71 0.00 0.00 66.02 63.82 1mum s SER 93 CO 0.76 -0.12 2.17 0.00 1.20 0.00 0.00 173.24 177.24 1mum h ALA 94 N 2.15 1.84 -0.23 5.45 0.00 -1.97 -0.14 119.26 126.37 1mum h ALA 94 Ca -0.47 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1mum h ALA 94 Cb 1.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1mum h ALA 94 CO 0.68 -0.10 -0.27 0.74 0.00 0.00 0.00 179.25 180.29 1mum h PHE 95 N 0.00 0.50 -0.16 0.00 0.04 -1.98 -1.19 116.94 114.16 1mum h PHE 95 Ca 0.03 -0.11 -0.14 0.00 2.80 0.00 0.00 57.97 60.56 1mum h PHE 95 Cb 0.16 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1mum h PHE 95 CO 0.00 0.68 -0.45 -0.91 -0.60 0.00 0.00 178.31 177.04 1mum h ASN 96 N 0.39 0.66 -0.64 2.17 -0.26 -1.37 -1.85 115.58 114.68 1mum h ASN 96 Ca 0.06 -0.59 0.04 0.00 -0.56 0.00 0.00 56.30 55.24 1mum h ASN 96 Cb 0.69 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.71 1mum h ASN 96 CO 0.05 1.13 0.39 0.58 -1.06 0.00 0.00 177.43 178.52 1mum h VAL 97 N 0.23 1.05 -0.23 2.81 2.07 -1.28 0.53 116.25 121.43 1mum h VAL 97 Ca -0.01 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1mum h VAL 97 Cb 1.06 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1mum h VAL 97 CO 0.10 0.14 0.08 0.00 0.02 0.00 0.00 177.57 177.90 1mum h ALA 98 N 1.29 0.31 -0.62 1.67 0.00 -1.19 -1.19 119.26 119.52 1mum h ALA 98 Ca 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1mum h ALA 98 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1mum h ALA 98 CO -0.12 -0.08 0.24 -0.09 0.00 0.00 0.00 179.25 179.20 1mum h ARG 99 N 0.22 0.91 -0.10 0.00 2.43 -0.88 -0.81 114.38 116.15 1mum h ARG 99 Ca 0.08 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1mum h ARG 99 Cb 0.21 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1mum h ARG 99 CO -0.00 0.75 0.05 1.15 -1.51 0.00 0.00 179.97 180.41 1mum h THR 100 N 0.90 1.10 0.37 0.20 2.02 -0.65 0.28 112.91 117.13 1mum h THR 100 Ca 0.21 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1mum h THR 100 Cb 0.19 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1mum h THR 100 CO -0.02 0.09 -0.23 0.58 0.37 0.00 0.00 175.52 176.31 1mum h VAL 101 N 0.05 0.51 -0.87 3.16 2.07 -0.85 -0.61 116.25 119.72 1mum h VAL 101 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1mum h VAL 101 Cb 0.10 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1mum h VAL 101 CO -0.01 0.00 0.53 0.11 0.02 0.00 0.00 177.57 178.22 1mum h LYS 102 N -0.58 1.17 -0.46 1.57 1.57 -1.10 -1.56 116.57 117.18 1mum h LYS 102 Ca -0.04 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 1mum h LYS 102 Cb 0.48 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1mum h LYS 102 CO 0.04 0.82 -0.09 0.77 -0.57 0.00 0.00 179.45 180.42 1mum h SER 103 N 1.20 0.87 -0.36 0.86 0.02 -0.77 -2.09 113.55 113.28 1mum h SER 103 Ca 0.31 -0.35 -0.11 0.00 -0.84 0.00 0.00 61.79 60.81 1mum h SER 103 Cb -0.06 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1mum h SER 103 CO -0.06 1.01 -0.15 0.24 -1.14 0.00 0.00 176.83 176.73 1mum h MET 104 N 0.70 0.83 0.09 3.45 2.86 -0.82 0.96 114.93 123.00 1mum h MET 104 Ca 0.12 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1mum h MET 104 Cb 0.62 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1mum h MET 104 CO 0.04 0.93 -0.04 0.82 1.06 0.00 0.00 176.91 179.72 1mum h ILE 105 N 0.74 0.96 -0.25 -1.22 2.04 -1.18 -1.65 117.51 116.94 1mum h ILE 105 Ca 0.11 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1mum h ILE 105 Cb 0.66 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1mum h ILE 105 CO 0.05 0.04 0.07 0.50 0.00 0.00 0.00 178.15 178.81 1mum h LYS 106 N -0.19 0.35 0.00 2.37 3.64 -1.18 -0.39 116.57 121.17 1mum h LYS 106 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1mum h LYS 106 Cb 0.15 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1mum h LYS 106 CO 0.02 0.32 0.00 0.00 -2.27 0.00 0.00 179.45 177.52 1mum h ALA 107 N 1.74 1.00 0.00 5.00 0.00 -0.36 -3.46 119.26 123.17 1mum h ALA 107 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1mum h ALA 107 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1mum h ALA 107 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1mum n GLY 108 N -0.22 0.93 3.75 0.00 0.00 -0.15 -3.92 105.19 105.58 1mum n GLY 108 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1mum n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mum s ALA 109 N -2.00 2.40 -0.11 4.61 0.00 -0.67 -4.75 121.76 121.24 1mum s ALA 109 Ca 0.00 0.73 0.22 0.00 0.00 0.00 0.00 51.96 52.91 1mum s ALA 109 Cb 0.00 -3.38 -0.22 0.00 0.00 0.00 0.00 23.12 19.52 1mum s ALA 109 CO 0.00 -1.39 0.66 0.00 0.00 0.00 0.00 175.76 175.03 1mum n ALA 110 N -2.29 2.59 -3.80 0.00 0.00 -0.03 -4.56 120.51 112.42 1mum n ALA 110 Ca 0.12 -0.48 0.03 0.00 0.00 0.00 0.00 53.44 53.11 1mum n ALA 110 Cb 0.51 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1mum n ALA 110 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1mum s GLY 111 N -4.54 -0.29 0.14 0.00 0.00 -1.14 -1.63 107.32 99.85 1mum s GLY 111 Ca -0.05 0.40 -0.16 0.00 0.00 0.00 0.00 44.72 44.91 1mum s GLY 111 CO 0.86 3.07 0.42 0.48 0.00 0.00 0.00 173.10 177.93 1mum s LEU 112 N -3.42 0.36 -0.02 0.66 0.05 -0.24 -0.64 118.68 115.43 1mum s LEU 112 Ca 0.22 -0.36 0.07 0.00 0.05 0.00 0.00 54.13 54.11 1mum s LEU 112 Cb 0.03 1.87 -0.02 0.00 -2.05 0.00 0.00 46.19 46.02 1mum s LEU 112 CO -0.03 -0.89 -0.22 -1.38 -0.55 0.00 0.00 176.35 173.28 1mum s HIS 113 N -3.82 2.02 -0.00 3.48 -3.43 -0.40 -0.84 115.29 112.29 1mum s HIS 113 Ca 0.04 -0.39 0.08 0.00 -0.80 0.00 0.00 55.06 53.99 1mum s HIS 113 Cb 0.01 -1.30 -0.02 0.00 -1.43 0.00 0.00 32.58 29.84 1mum s HIS 113 CO -0.10 -0.04 -0.25 -1.50 -2.00 0.00 0.00 174.74 170.85 1mum s ILE 114 N -0.51 1.99 0.43 -5.38 2.07 -0.64 -1.48 121.20 117.67 1mum s ILE 114 Ca 0.08 -1.14 0.07 0.00 -1.41 0.00 0.00 60.65 58.25 1mum s ILE 114 Cb -0.09 -1.67 -0.03 0.00 0.13 0.00 0.00 42.46 40.80 1mum s ILE 114 CO -0.01 0.50 0.25 -1.83 -1.91 0.00 0.00 174.94 171.94 1mum s GLU 115 N -0.76 2.31 -0.12 3.50 -1.05 0.06 -0.77 118.70 121.87 1mum s GLU 115 Ca 0.10 -1.80 0.12 0.00 -0.15 0.00 0.00 54.97 53.24 1mum s GLU 115 Cb -0.10 -2.08 0.55 0.00 -0.44 0.00 0.00 34.13 32.06 1mum s GLU 115 CO -0.00 -0.19 1.39 -0.40 0.95 0.00 0.00 175.26 177.00 1mum n ASP 116 N -1.37 3.96 -4.77 0.83 5.68 -1.04 -4.69 116.55 115.15 1mum n ASP 116 Ca -0.00 -2.49 -0.34 0.00 -0.50 0.00 0.00 54.79 51.46 1mum n ASP 116 Cb 0.64 -0.56 0.01 0.00 -1.14 0.00 0.00 41.12 40.07 1mum n ASP 116 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1mum s GLN 117 N -2.00 3.20 -0.09 0.11 -0.21 -1.26 -0.60 119.66 118.80 1mum s GLN 117 Ca 0.38 1.55 -0.28 0.00 0.02 0.00 0.00 55.36 57.03 1mum s GLN 117 Cb 0.27 -1.99 -0.24 0.00 1.00 0.00 0.00 33.01 32.05 1mum s GLN 117 CO 0.15 -0.96 0.97 -0.39 -2.12 0.00 0.00 175.29 172.93 1mum h VAL 118 N 0.86 1.64 0.00 1.09 -1.51 -1.57 -3.41 116.25 113.35 1mum h VAL 118 Ca -0.49 -1.88 0.00 0.00 -1.23 0.00 0.00 66.70 63.10 1mum h VAL 118 Cb 1.26 2.91 0.00 0.00 -2.13 0.00 0.00 31.29 33.33 1mum h VAL 118 CO 0.56 0.49 0.00 0.61 -1.23 0.00 0.00 177.57 178.00 1mum n GLY 119 N 1.06 0.15 0.06 5.19 0.00 -1.26 -4.77 105.19 105.62 1mum n GLY 119 Ca -0.09 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.01 1mum n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mum h ALA 120 N 0.00 0.00 0.00 4.61 0.00 -1.95 -3.47 119.26 118.46 1mum h ALA 120 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1mum h ALA 120 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1mum h ALA 120 CO 0.00 0.21 0.00 1.17 0.00 0.00 0.00 179.25 180.63 1mum n LYS 121 N -4.71 0.00 -4.22 0.00 4.81 -1.26 -4.74 118.16 108.03 1mum n LYS 121 Ca -0.03 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.11 1mum n LYS 121 Cb 0.12 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.07 1mum n LYS 121 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1mum s ARG 122 N 0.00 2.14 0.18 1.64 0.52 -1.26 -5.05 118.95 117.13 1mum s ARG 122 Ca 0.00 -1.03 -0.13 0.00 -0.52 0.00 0.00 55.73 54.05 1mum s ARG 122 Cb 0.00 -2.31 0.16 0.00 0.52 0.00 0.00 34.95 33.32 1mum s ARG 122 CO 0.00 0.50 1.76 0.00 0.02 0.00 0.00 175.30 177.58 1mum n GLY 124 N -1.26 3.48 3.75 0.00 0.00 -1.26 -4.97 105.19 104.92 1mum n GLY 124 Ca 0.05 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1mum n GLY 124 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1mum s HIS 125 N -2.86 3.36 0.29 1.61 2.46 -0.89 -5.02 115.29 114.25 1mum s HIS 125 Ca 0.53 1.44 -0.15 0.00 0.47 0.00 0.00 55.06 57.35 1mum s HIS 125 Cb 0.42 -3.48 -0.09 0.00 -0.13 0.00 0.00 32.58 29.31 1mum s HIS 125 CO 0.13 -1.31 0.71 1.03 -2.47 0.00 0.00 174.74 172.83 1mum s ARG 126 N -0.73 4.02 0.48 2.88 0.52 -1.26 -4.99 118.95 119.87 1mum s ARG 126 Ca 0.51 0.65 -0.23 0.00 -0.52 0.00 0.00 55.73 56.15 1mum s ARG 126 Cb -0.34 -2.53 -0.08 0.00 0.52 0.00 0.00 34.95 32.52 1mum s ARG 126 CO 0.41 0.21 1.12 -2.30 0.02 0.00 0.00 175.30 174.76 1mum n PRO 127 N -0.16 1.46 -3.50 3.54 -0.02 -1.26 -5.00 135.00 130.06 1mum n PRO 127 Ca 0.02 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 61.94 1mum n PRO 127 Cb 0.53 -2.24 0.02 0.00 -0.02 0.00 0.00 33.50 31.79 1mum n PRO 127 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1mum n ASN 128 N -0.06 -1.91 -0.50 2.55 0.23 -1.26 -5.04 115.26 109.28 1mum n ASN 128 Ca 0.10 -2.46 0.05 0.00 -0.53 0.00 0.00 54.58 51.74 1mum n ASN 128 Cb 0.42 3.22 0.14 0.00 -2.08 0.00 0.00 39.78 41.47 1mum n ASN 128 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1mum n LYS 129 N -0.48 2.79 -1.71 -3.83 5.02 -1.26 -4.98 118.16 113.71 1mum n LYS 129 Ca -0.06 -2.12 -0.41 0.00 -2.02 0.00 0.00 58.31 53.70 1mum n LYS 129 Cb 0.53 -1.34 0.02 0.00 -0.02 0.00 0.00 35.03 34.22 1mum n LYS 129 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mum n ALA 130 N -0.07 1.38 -2.54 7.82 0.00 -1.26 -4.88 120.51 120.95 1mum n ALA 130 Ca 0.11 0.25 -0.23 0.00 0.00 0.00 0.00 53.44 53.56 1mum n ALA 130 Cb 0.49 -2.28 -0.12 0.00 0.00 0.00 0.00 19.45 17.53 1mum n ALA 130 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mum s ILE 131 N -1.21 1.68 1.10 0.00 -4.36 -1.26 -1.51 121.20 115.64 1mum s ILE 131 Ca 0.62 -1.55 -0.16 0.00 -0.26 0.00 0.00 60.65 59.30 1mum s ILE 131 Cb -0.49 -1.54 0.24 0.00 1.25 0.00 0.00 42.46 41.92 1mum s ILE 131 CO 0.57 -0.08 1.11 0.68 0.24 0.00 0.00 174.94 177.46 1mum s VAL 132 N -1.22 1.79 0.80 8.37 -7.23 0.23 -4.77 120.40 118.37 1mum s VAL 132 Ca 0.06 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.13 1mum s VAL 132 Cb -0.10 -2.52 0.07 0.00 0.56 0.00 0.00 36.38 34.39 1mum s VAL 132 CO 0.04 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 174.99 1mum s SER 133 N -3.77 4.27 0.23 4.85 1.04 -1.26 -4.83 113.70 114.23 1mum s SER 133 Ca 0.69 1.80 -0.07 0.00 0.48 0.00 0.00 55.95 58.84 1mum s SER 133 Cb -0.13 -2.48 0.25 0.00 0.10 0.00 0.00 66.02 63.76 1mum s SER 133 CO 0.56 -2.18 1.88 0.50 0.98 0.00 0.00 173.24 174.99 1mum h LYS 134 N -1.23 1.06 -0.62 4.02 3.64 -1.99 -1.56 116.57 119.89 1mum h LYS 134 Ca -0.44 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1mum h LYS 134 Cb 1.24 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1mum h LYS 134 CO 0.51 0.70 0.39 0.93 -2.27 0.00 0.00 179.45 179.71 1mum h GLU 135 N 1.09 0.84 -0.07 1.90 3.07 -2.00 -1.46 114.58 117.96 1mum h GLU 135 Ca 0.34 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1mum h GLU 135 Cb -0.01 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 27.71 1mum h GLU 135 CO -0.11 0.59 0.03 1.49 -1.40 0.00 0.00 179.01 179.61 1mum h GLU 136 N 0.84 0.10 -0.90 2.33 4.57 -1.72 -2.54 114.58 117.26 1mum h GLU 136 Ca 0.22 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1mum h GLU 136 Cb -0.05 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 1mum h GLU 136 CO -0.04 0.19 0.56 1.98 -1.18 0.00 0.00 179.01 180.51 1mum h MET 137 N -0.02 1.22 -0.68 1.92 4.05 -1.17 -1.68 114.93 118.57 1mum h MET 137 Ca 0.02 -0.10 0.09 0.00 -0.28 0.00 0.00 59.70 59.43 1mum h MET 137 Cb 0.12 -0.26 -0.07 0.00 -0.80 0.00 0.00 31.60 30.60 1mum h MET 137 CO -0.00 0.85 0.33 0.28 0.23 0.00 0.00 176.91 178.59 1mum h VAL 138 N 1.24 0.84 -0.52 -5.77 2.07 -1.02 0.63 116.25 113.73 1mum h VAL 138 Ca 0.33 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 1mum h VAL 138 Cb -0.07 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1mum h VAL 138 CO -0.06 0.10 0.08 0.44 0.02 0.00 0.00 177.57 178.15 1mum h ASP 139 N 0.57 0.82 -0.60 0.57 3.32 -0.92 0.04 116.42 120.21 1mum h ASP 139 Ca 0.34 -0.26 0.09 0.00 0.02 0.00 0.00 57.03 57.21 1mum h ASP 139 Cb 0.36 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 1mum h ASP 139 CO -0.27 0.87 0.25 -0.09 -1.72 0.00 0.00 179.24 178.28 1mum h ARG 140 N 0.73 0.43 -0.26 3.56 2.43 -0.40 -0.13 114.38 120.74 1mum h ARG 140 Ca 0.16 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1mum h ARG 140 Cb 0.40 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1mum h ARG 140 CO 0.01 0.28 -0.09 0.82 -1.51 0.00 0.00 179.97 179.49 1mum h ILE 141 N 0.44 1.29 -0.78 1.20 2.04 -0.56 -2.23 117.51 118.91 1mum h ILE 141 Ca 0.30 -1.14 0.05 0.00 1.00 0.00 0.00 64.86 65.07 1mum h ILE 141 Cb 0.34 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1mum h ILE 141 CO -0.28 0.36 0.48 0.03 0.00 0.00 0.00 178.15 178.74 1mum h ARG 142 N 0.27 0.88 -0.59 2.37 3.08 -0.34 0.84 114.38 120.90 1mum h ARG 142 Ca 0.06 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 1mum h ARG 142 Cb 0.58 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1mum h ARG 142 CO 0.03 0.58 0.09 0.00 -1.07 0.00 0.00 179.97 179.60 1mum h ALA 143 N 1.36 0.78 -0.05 0.04 0.00 -0.99 -0.76 119.26 119.64 1mum h ALA 143 Ca 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mum h ALA 143 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1mum h ALA 143 CO -0.15 0.54 0.01 0.00 0.00 0.00 0.00 179.25 179.65 1mum h ALA 144 N 1.01 0.06 -0.55 0.00 0.00 -0.73 -2.30 119.26 116.75 1mum h ALA 144 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1mum h ALA 144 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1mum h ALA 144 CO 0.01 -0.30 0.31 0.28 0.00 0.00 0.00 179.25 179.55 1mum h VAL 145 N -0.17 1.17 -0.10 0.00 2.07 -0.80 -2.43 116.25 115.99 1mum h VAL 145 Ca 0.01 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1mum h VAL 145 Cb 0.26 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1mum h VAL 145 CO 0.00 0.18 0.07 -0.78 0.02 0.00 0.00 177.57 177.06 1mum h ASP 146 N 0.73 0.09 1.03 0.57 3.58 -1.07 -2.49 116.42 118.87 1mum h ASP 146 Ca 0.19 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1mum h ASP 146 Cb 0.02 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1mum h ASP 146 CO -0.03 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.39 1mum n ALA 147 N -2.53 2.19 -1.68 -0.78 0.00 -0.87 -4.89 120.51 111.96 1mum n ALA 147 Ca -0.01 -0.07 -0.47 0.00 0.00 0.00 0.00 53.44 52.89 1mum n ALA 147 Cb 0.11 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.08 1mum n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mum n LYS 148 N -1.72 2.21 0.01 0.00 5.02 -0.94 -4.52 118.16 118.22 1mum n LYS 148 Ca 0.06 0.81 0.11 0.00 -2.02 0.00 0.00 58.31 57.26 1mum n LYS 148 Cb 0.33 -2.63 -0.08 0.00 -0.02 0.00 0.00 35.03 32.64 1mum n LYS 148 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1mum n THR 149 N 4.45 0.07 -4.02 -0.18 -2.24 -1.26 -4.73 114.28 106.37 1mum n THR 149 Ca 0.20 -0.24 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 1mum n THR 149 Cb 0.30 0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.76 1mum n THR 149 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mum s ASP 150 N -3.82 3.88 0.62 3.42 -1.08 -1.26 -5.01 116.67 113.42 1mum s ASP 150 Ca 0.02 -1.13 0.32 0.00 -0.52 0.00 0.00 52.55 51.24 1mum s ASP 150 Cb 0.15 -1.36 1.83 0.00 -1.46 0.00 0.00 42.92 42.08 1mum s ASP 150 CO 0.85 -0.17 2.14 1.55 0.52 0.00 0.00 175.17 180.06 1mum h PRO 151 N 7.89 0.00 0.00 4.34 0.13 -2.01 -1.18 132.00 141.17 1mum h PRO 151 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1mum h PRO 151 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1mum h PRO 151 CO 0.47 0.00 -0.42 -0.25 -0.23 0.00 0.00 178.00 177.56 1mum n ASP 152 N -3.51 0.42 -4.78 1.44 8.00 -1.26 -4.87 116.55 112.00 1mum n ASP 152 Ca -0.00 -0.13 -0.41 0.00 0.71 0.00 0.00 54.79 54.96 1mum n ASP 152 Cb 0.26 0.13 -0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1mum n ASP 152 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1mum s PHE 153 N -3.00 2.63 -0.16 1.24 5.36 -0.45 -3.98 117.98 119.62 1mum s PHE 153 Ca 0.11 1.16 -0.14 0.00 -0.96 0.00 0.00 56.93 57.11 1mum s PHE 153 Cb 0.18 -4.00 -0.05 0.00 -0.34 0.00 0.00 43.02 38.81 1mum s PHE 153 CO 0.67 -2.94 0.29 0.08 -1.46 0.00 0.00 175.22 171.86 1mum s VAL 154 N -1.05 5.31 -0.41 3.12 1.01 -0.65 -4.97 120.40 122.76 1mum s VAL 154 Ca 0.53 0.54 -0.07 0.00 0.00 0.00 0.00 61.98 62.98 1mum s VAL 154 Cb -0.46 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.38 1mum s VAL 154 CO 0.61 0.40 0.22 -0.63 0.00 0.00 0.00 175.10 175.70 1mum s ILE 155 N 0.42 3.86 -0.14 2.22 -1.09 -1.26 -1.07 121.20 124.13 1mum s ILE 155 Ca 0.16 -1.57 -0.07 0.00 -2.23 0.00 0.00 60.65 56.94 1mum s ILE 155 Cb -0.13 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1mum s ILE 155 CO 0.04 -0.52 0.12 -0.32 -1.23 0.00 0.00 174.94 173.03 1mum s MET 156 N 1.34 3.63 -0.18 2.79 -2.45 -0.02 -0.93 119.30 123.47 1mum s MET 156 Ca 0.03 -0.18 -0.07 0.00 -1.25 0.00 0.00 55.69 54.22 1mum s MET 156 Cb -0.23 -3.22 -0.04 0.00 1.25 0.00 0.00 34.83 32.59 1mum s MET 156 CO 0.00 0.62 0.06 0.00 1.05 0.00 0.00 175.02 176.75 1mum s ALA 157 N -0.58 3.41 -0.08 4.11 0.00 -0.29 -1.62 121.76 126.71 1mum s ALA 157 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1mum s ALA 157 Cb -0.12 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 1mum s ALA 157 CO 0.02 0.20 -0.07 0.50 0.00 0.00 0.00 175.76 176.41 1mum s ARG 158 N 0.30 2.87 -0.06 0.00 3.52 0.05 -0.50 118.95 125.12 1mum s ARG 158 Ca 0.03 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.11 1mum s ARG 158 Cb -0.12 -2.62 0.01 0.00 -1.56 0.00 0.00 34.95 30.66 1mum s ARG 158 CO 0.00 0.59 -0.16 -0.08 -0.81 0.00 0.00 175.30 174.84 1mum s THR 159 N -0.61 1.39 -0.28 4.11 -1.32 -0.71 -2.48 115.64 115.74 1mum s THR 159 Ca 0.09 -0.65 0.11 0.00 -1.21 0.00 0.00 61.69 60.03 1mum s THR 159 Cb -0.12 -1.23 0.60 0.00 -1.51 0.00 0.00 72.50 70.24 1mum s THR 159 CO 0.02 0.41 1.59 0.47 -2.21 0.00 0.00 174.62 174.89 1mum n ASP 160 N 3.54 3.68 0.26 8.08 10.43 -1.26 -1.68 116.55 139.60 1mum n ASP 160 Ca -0.21 -3.38 0.17 0.00 2.57 0.00 0.00 54.79 53.94 1mum n ASP 160 Cb 0.52 -0.66 0.66 0.00 1.84 0.00 0.00 41.12 43.49 1mum n ASP 160 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1mum h ALA 161 N 1.70 1.00 0.50 2.24 0.00 -1.93 -3.32 119.26 119.45 1mum h ALA 161 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1mum h ALA 161 Cb 1.89 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1mum h ALA 161 CO 0.50 0.00 -0.29 1.25 0.00 0.00 0.00 179.25 180.71 1mum h LEU 162 N 0.00 -0.73 -2.09 0.00 5.85 -1.83 0.70 115.31 117.21 1mum h LEU 162 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1mum h LEU 162 Cb 0.49 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1mum h LEU 162 CO 0.00 -0.47 -0.05 0.00 -0.34 0.00 0.00 178.44 177.58 1mum h ALA 163 N -0.28 1.68 0.00 1.25 0.00 -1.90 -0.98 119.26 119.03 1mum h ALA 163 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1mum h ALA 163 Cb 0.61 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1mum h ALA 163 CO 0.07 0.06 -1.49 1.33 0.00 0.00 0.00 179.25 179.22 1mum n VAL 164 N -4.13 0.01 0.00 0.00 0.24 -1.14 -4.77 118.33 108.53 1mum n VAL 164 Ca -0.03 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1mum n VAL 164 Cb 0.14 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1mum n VAL 164 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mum n GLU 165 N -1.87 4.43 0.00 7.34 1.02 0.24 -5.10 120.64 126.69 1mum n GLU 165 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1mum n GLU 165 Cb 0.28 -0.42 0.00 0.00 -0.02 0.00 0.00 31.44 31.28 1mum n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mum n GLY 166 N 0.85 0.74 0.23 0.62 0.00 -0.38 -4.34 105.19 102.91 1mum n GLY 166 Ca 0.00 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 1mum n GLY 166 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mum h LEU 167 N 0.00 -0.43 -1.24 0.99 5.85 -1.87 -2.02 115.31 116.59 1mum h LEU 167 Ca 0.00 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1mum h LEU 167 Cb 0.00 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1mum h LEU 167 CO 0.00 -0.26 0.56 0.44 -0.34 0.00 0.00 178.44 178.84 1mum h ASP 168 N -0.57 0.75 -0.21 1.25 3.45 -1.98 -1.49 116.42 117.61 1mum h ASP 168 Ca -0.05 0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.34 1mum h ASP 168 Cb 0.43 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1mum h ASP 168 CO 0.09 0.44 -0.21 0.00 -1.57 0.00 0.00 179.24 177.99 1mum h ALA 169 N 1.57 0.31 -0.92 3.45 0.00 -1.73 -2.58 119.26 119.36 1mum h ALA 169 Ca 0.41 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1mum h ALA 169 Cb 0.45 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1mum h ALA 169 CO -0.17 0.24 0.61 0.00 0.00 0.00 0.00 179.25 179.93 1mum h ALA 170 N 0.65 1.36 -0.30 0.00 0.00 -0.77 -1.48 119.26 118.72 1mum h ALA 170 Ca 0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1mum h ALA 170 Cb 0.75 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1mum h ALA 170 CO 0.05 0.58 -0.32 0.82 0.00 0.00 0.00 179.25 180.39 1mum h ILE 171 N 1.22 1.28 -0.40 0.00 2.04 -1.27 -1.12 117.51 119.26 1mum h ILE 171 Ca 0.34 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 1mum h ILE 171 Cb -0.11 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1mum h ILE 171 CO -0.08 0.46 0.11 -0.08 0.00 0.00 0.00 178.15 178.56 1mum h GLU 172 N 0.54 0.64 -0.01 2.37 4.81 -0.97 -2.36 114.58 119.60 1mum h GLU 172 Ca 0.06 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1mum h GLU 172 Cb 0.81 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1mum h GLU 172 CO 0.07 0.65 0.01 0.00 -0.73 0.00 0.00 179.01 179.01 1mum h ARG 173 N 0.50 0.01 -0.56 1.92 3.08 -1.13 -2.67 114.38 115.54 1mum h ARG 173 Ca 0.13 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.29 1mum h ARG 173 Cb 0.30 -0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.23 1mum h ARG 173 CO -0.00 0.05 -0.21 0.00 -1.07 0.00 0.00 179.97 178.74 1mum h ALA 174 N 0.96 0.23 -0.87 0.04 0.00 -1.03 0.32 119.26 118.91 1mum h ALA 174 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1mum h ALA 174 Cb 0.04 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1mum h ALA 174 CO -0.00 -0.52 0.57 1.96 0.00 0.00 0.00 179.25 181.25 1mum h GLN 175 N -0.07 1.08 -0.59 0.00 4.20 -1.30 0.22 115.11 118.64 1mum h GLN 175 Ca 0.26 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 1mum h GLN 175 Cb 0.48 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1mum h GLN 175 CO -0.62 0.71 0.01 0.00 -0.67 0.00 0.00 178.83 178.27 1mum h ALA 176 N 1.35 0.80 -0.29 3.87 0.00 -0.64 -0.17 119.26 124.18 1mum h ALA 176 Ca 0.34 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1mum h ALA 176 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1mum h ALA 176 CO -0.11 0.62 0.14 1.88 0.00 0.00 0.00 179.25 181.79 1mum h TYR 177 N 0.93 0.42 -0.59 0.00 0.05 0.36 -0.22 116.97 117.93 1mum h TYR 177 Ca 0.17 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.87 1mum h TYR 177 Cb 0.54 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 1mum h TYR 177 CO 0.04 0.38 0.12 0.28 -1.05 0.00 0.00 178.16 177.93 1mum h VAL 178 N 0.34 1.25 -0.45 -2.88 2.07 -0.88 -1.58 116.25 114.13 1mum h VAL 178 Ca 0.10 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1mum h VAL 178 Cb 0.11 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1mum h VAL 178 CO -0.01 0.35 0.30 -0.08 0.02 0.00 0.00 177.57 178.14 1mum h GLU 179 N 0.86 0.48 0.00 1.57 4.22 -0.71 0.46 114.58 121.46 1mum h GLU 179 Ca 0.18 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.59 1mum h GLU 179 Cb 0.39 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1mum h GLU 179 CO 0.01 0.32 0.00 0.00 -2.18 0.00 0.00 179.01 177.15 1mum n ALA 180 N -2.49 2.25 0.00 2.92 0.00 -0.12 -4.86 120.51 118.21 1mum n ALA 180 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1mum n ALA 180 Cb 0.15 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1mum n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mum n GLY 181 N 0.90 1.15 3.70 0.00 0.00 0.15 -4.33 105.19 106.76 1mum n GLY 181 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1mum n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mum n ALA 182 N 0.00 2.24 0.08 4.61 0.00 -0.67 -4.88 120.51 121.88 1mum n ALA 182 Ca 0.00 0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.91 1mum n ALA 182 Cb 0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 16.93 1mum n ALA 182 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mum n GLU 183 N 4.24 0.61 -3.82 0.00 1.02 -0.11 -4.50 120.64 118.09 1mum n GLU 183 Ca 0.17 0.13 -0.10 0.00 -0.02 0.00 0.00 57.16 57.34 1mum n GLU 183 Cb 0.33 -1.80 -0.07 0.00 -0.02 0.00 0.00 31.44 29.88 1mum n GLU 183 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1mum s MET 184 N -3.25 0.80 -0.03 3.49 -1.94 -1.24 -4.31 119.30 112.83 1mum s MET 184 Ca -0.02 -0.75 0.07 0.00 -1.71 0.00 0.00 55.69 53.28 1mum s MET 184 Cb 0.10 0.33 -0.02 0.00 2.01 0.00 0.00 34.83 37.25 1mum s MET 184 CO 0.80 -0.25 -0.24 -1.17 -0.01 0.00 0.00 175.02 174.15 1mum s LEU 185 N -2.46 2.04 -0.52 -0.03 2.96 -0.17 -1.14 118.68 119.37 1mum s LEU 185 Ca -0.00 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1mum s LEU 185 Cb 0.02 -1.25 0.14 0.00 0.50 0.00 0.00 46.19 45.59 1mum s LEU 185 CO -0.07 0.28 0.29 0.12 -1.32 0.00 0.00 176.35 175.65 1mum s PHE 186 N -0.44 2.73 -0.48 5.38 5.99 0.34 -0.48 117.98 131.02 1mum s PHE 186 Ca 0.06 -2.90 -0.29 0.00 0.00 0.00 0.00 56.93 53.79 1mum s PHE 186 Cb -0.10 -2.40 0.03 0.00 0.00 0.00 0.00 43.02 40.55 1mum s PHE 186 CO 0.00 -0.73 1.19 -2.14 -0.00 0.00 0.00 175.22 173.55 1mum s PRO 187 N -0.24 3.67 0.54 10.12 0.02 -1.26 -1.73 135.00 146.13 1mum s PRO 187 Ca 0.19 0.59 -0.18 0.00 0.02 0.00 0.00 61.00 61.62 1mum s PRO 187 Cb -0.21 -3.94 -0.06 0.00 0.02 0.00 0.00 34.50 30.31 1mum s PRO 187 CO -0.03 -1.46 1.04 -2.00 -0.33 0.00 0.00 177.00 174.22 1mum s GLU 188 N 4.61 3.59 -1.61 5.54 -6.30 -0.68 -4.27 118.70 119.58 1mum s GLU 188 Ca 0.50 1.23 -0.10 0.00 -2.50 0.00 0.00 54.97 54.09 1mum s GLU 188 Cb -0.08 -2.07 0.09 0.00 0.00 0.00 0.00 34.13 32.07 1mum s GLU 188 CO 0.31 -0.59 0.48 0.00 0.02 0.00 0.00 175.26 175.48 1mum n ALA 189 N -1.56 -1.64 -1.80 6.30 0.00 -1.26 -4.77 120.51 115.77 1mum n ALA 189 Ca 0.09 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 1mum n ALA 189 Cb 0.53 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 1mum n ALA 189 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1mum s ILE 190 N -3.72 3.07 -0.05 0.00 -1.09 -1.26 -4.77 121.20 113.37 1mum s ILE 190 Ca 0.38 1.04 0.18 0.00 -2.23 0.00 0.00 60.65 60.02 1mum s ILE 190 Cb -0.21 -3.66 -0.27 0.00 -1.58 0.00 0.00 42.46 36.74 1mum s ILE 190 CO 0.95 0.23 0.33 0.35 -1.23 0.00 0.00 174.94 175.57 1mum n THR 191 N 1.21 0.24 -4.93 2.92 -2.24 -1.26 -4.11 114.28 106.11 1mum n THR 191 Ca 0.00 -0.48 -0.27 0.00 -2.27 0.00 0.00 64.05 61.03 1mum n THR 191 Cb 0.43 -0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.45 1mum n THR 191 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1mum s GLU 192 N -3.10 1.78 0.29 -0.78 2.02 -1.26 -4.60 118.70 113.04 1mum s GLU 192 Ca -0.07 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.27 1mum s GLU 192 Cb 0.10 -1.60 0.59 0.00 0.10 0.00 0.00 34.13 33.33 1mum s GLU 192 CO 0.75 0.33 1.83 1.25 0.02 0.00 0.00 175.26 179.45 1mum h LEU 193 N 5.99 0.89 -2.17 1.80 5.85 -1.99 -1.07 115.31 124.61 1mum h LEU 193 Ca -0.35 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1mum h LEU 193 Cb 1.16 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1mum h LEU 193 CO 0.48 0.46 -0.07 0.00 -0.34 0.00 0.00 178.44 178.97 1mum h ALA 194 N 1.55 1.35 -0.67 1.25 0.00 -1.97 -2.35 119.26 118.42 1mum h ALA 194 Ca 0.50 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 1mum h ALA 194 Cb 0.55 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1mum h ALA 194 CO -0.27 0.08 0.12 0.52 0.00 0.00 0.00 179.25 179.71 1mum h MET 195 N 0.00 1.10 -0.53 0.00 2.86 -1.61 -2.41 114.93 114.35 1mum h MET 195 Ca -0.00 -0.29 0.04 0.00 -2.06 0.00 0.00 59.70 57.39 1mum h MET 195 Cb 0.20 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 1mum h MET 195 CO 0.01 1.00 0.29 1.88 1.06 0.00 0.00 176.91 181.15 1mum h TYR 196 N 1.03 0.53 -0.99 -0.22 0.05 -1.50 -1.29 116.97 114.57 1mum h TYR 196 Ca 0.21 0.02 0.03 0.00 0.05 0.00 0.00 58.73 59.04 1mum h TYR 196 Cb 0.42 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.95 1mum h TYR 196 CO 0.03 0.27 0.65 -0.09 -1.05 0.00 0.00 178.16 177.97 1mum h ARG 197 N 0.56 1.24 -0.42 4.88 9.65 -1.26 -0.22 114.38 128.80 1mum h ARG 197 Ca 0.23 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1mum h ARG 197 Cb 0.11 -0.28 -0.02 0.00 -1.39 0.00 0.00 29.97 28.39 1mum h ARG 197 CO -0.14 0.82 0.22 1.96 2.80 0.00 0.00 179.97 185.63 1mum h GLN 198 N 1.28 0.60 -0.29 0.20 4.20 -0.82 -1.05 115.11 119.24 1mum h GLN 198 Ca 0.39 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1mum h GLN 198 Cb -0.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1mum h GLN 198 CO -0.11 0.51 0.13 0.74 -0.67 0.00 0.00 178.83 179.43 1mum h PHE 199 N 0.55 0.42 -0.27 2.96 -1.00 -0.64 -2.04 116.94 116.92 1mum h PHE 199 Ca 0.15 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.96 1mum h PHE 199 Cb 0.09 -0.13 -0.05 0.00 3.61 0.00 0.00 35.95 39.47 1mum h PHE 199 CO -0.02 0.39 -0.07 0.00 -1.61 0.00 0.00 178.31 177.00 1mum h ALA 200 N 0.99 0.16 0.00 2.45 0.00 -0.82 -1.18 119.26 120.87 1mum h ALA 200 Ca 0.10 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1mum h ALA 200 Cb 0.13 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1mum h ALA 200 CO -0.01 -0.48 -0.09 -0.44 0.00 0.00 0.00 179.25 178.23 1mum h ASP 201 N -0.01 0.00 0.52 0.00 3.32 -1.08 -2.88 116.42 116.29 1mum h ASP 201 Ca 0.13 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.89 1mum h ASP 201 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1mum h ASP 201 CO -0.28 0.09 -1.48 0.00 -1.72 0.00 0.00 179.24 175.85 1mum h ALA 202 N 1.91 0.33 0.00 3.45 0.00 -0.50 -3.41 119.26 121.04 1mum h ALA 202 Ca -0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 54.91 53.71 1mum h ALA 202 Cb 0.39 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1mum h ALA 202 CO 0.01 1.20 -1.90 1.33 0.00 0.00 0.00 179.25 179.89 1mum n VAL 203 N -3.40 0.30 -2.17 0.00 0.24 -0.71 -4.86 118.33 107.74 1mum n VAL 203 Ca -0.14 -0.49 -0.17 0.00 -2.04 0.00 0.00 64.34 61.51 1mum n VAL 203 Cb 1.03 -0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.30 1mum n VAL 203 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1mum n GLN 204 N -2.25 -1.30 -4.17 7.34 7.27 -1.09 -5.00 117.38 118.19 1mum n GLN 204 Ca -0.10 0.86 -0.13 0.00 0.07 0.00 0.00 57.00 57.70 1mum n GLN 204 Cb 0.62 -5.24 -0.11 0.00 2.41 0.00 0.00 30.24 27.92 1mum n GLN 204 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1mum s VAL 205 N -2.79 0.85 0.26 1.69 -7.23 -1.26 -5.11 120.40 106.81 1mum s VAL 205 Ca 0.00 -1.69 -0.30 0.00 -1.81 0.00 0.00 61.98 58.18 1mum s VAL 205 Cb 0.00 -1.40 -0.13 0.00 0.56 0.00 0.00 36.38 35.40 1mum s VAL 205 CO 0.00 -0.64 1.30 -2.65 -0.31 0.00 0.00 175.10 172.80 1mum n PRO 206 N 0.44 1.87 -4.52 4.82 -0.02 -1.26 -4.71 135.00 131.61 1mum n PRO 206 Ca -0.15 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 1mum n PRO 206 Cb 0.58 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 1mum n PRO 206 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1mum s ILE 207 N -0.45 3.83 -0.11 4.25 -1.09 -1.26 -1.00 121.20 125.36 1mum s ILE 207 Ca 0.64 -0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 58.62 1mum s ILE 207 Cb -0.66 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 1mum s ILE 207 CO 0.54 0.56 0.01 -0.22 -1.23 0.00 0.00 174.94 174.60 1mum s LEU 208 N -0.32 3.61 -0.21 2.97 0.20 0.36 -0.87 118.68 124.43 1mum s LEU 208 Ca 0.05 0.11 -0.04 0.00 0.69 0.00 0.00 54.13 54.95 1mum s LEU 208 Cb -0.12 -1.85 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 1mum s LEU 208 CO 0.02 0.32 -0.04 0.00 -0.29 0.00 0.00 176.35 176.36 1mum s ALA 209 N -0.52 2.85 -0.84 5.97 0.00 0.43 -4.08 121.76 125.57 1mum s ALA 209 Ca 0.09 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 1mum s ALA 209 Cb -0.12 -1.67 0.13 0.00 0.00 0.00 0.00 23.12 21.45 1mum s ALA 209 CO 0.02 -0.30 1.02 1.21 0.00 0.00 0.00 175.76 177.72 1mum s ASN 210 N 1.25 6.53 -1.28 0.00 2.47 -1.26 -0.04 114.94 122.61 1mum s ASN 210 Ca 0.03 -1.90 -0.08 0.00 0.42 0.00 0.00 52.86 51.33 1mum s ASN 210 Cb -0.14 -2.37 0.17 0.00 -1.45 0.00 0.00 41.25 37.45 1mum s ASN 210 CO -0.01 -1.07 1.96 -0.38 -3.72 0.00 0.00 177.10 173.88 1mum n ILE 211 N 5.41 4.61 -3.65 -5.21 2.08 0.50 -4.87 119.36 118.23 1mum n ILE 211 Ca 0.15 -4.48 -0.33 0.00 0.56 0.00 0.00 62.75 58.65 1mum n ILE 211 Cb 0.48 -2.28 -0.05 0.00 -0.75 0.00 0.00 39.64 37.04 1mum n ILE 211 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1mum s THR 212 N -0.17 5.16 0.59 1.39 -1.32 -1.26 -4.56 115.64 115.47 1mum s THR 212 Ca 0.42 0.15 -0.07 0.00 -1.21 0.00 0.00 61.69 60.98 1mum s THR 212 Cb 0.11 -3.62 -0.00 0.00 -1.51 0.00 0.00 72.50 67.48 1mum s THR 212 CO -0.01 0.13 0.92 -1.83 -2.21 0.00 0.00 174.62 171.62 1mum s GLU 213 N -2.39 3.06 -1.66 7.08 1.03 -1.26 -4.20 118.70 120.37 1mum s GLU 213 Ca 0.38 0.16 -0.02 0.00 0.03 0.00 0.00 54.97 55.51 1mum s GLU 213 Cb -0.13 -2.24 0.00 0.00 -0.80 0.00 0.00 34.13 30.97 1mum s GLU 213 CO 0.22 -0.66 0.33 1.19 -1.33 0.00 0.00 175.26 175.01 1mum n PHE 214 N -2.61 -1.51 -3.03 4.83 3.72 -1.26 -4.97 117.46 112.63 1mum n PHE 214 Ca 0.04 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 1mum n PHE 214 Cb 0.57 -4.26 0.00 0.00 -0.94 0.00 0.00 39.48 34.84 1mum n PHE 214 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mum n GLY 215 N -1.29 7.13 0.04 1.37 0.00 -1.26 -5.05 105.19 106.13 1mum n GLY 215 Ca -0.18 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.08 1mum n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mum n ALA 216 N -3.00 2.84 -2.72 4.61 0.00 -1.26 -4.85 120.51 116.13 1mum n ALA 216 Ca 0.00 -0.20 -0.36 0.00 0.00 0.00 0.00 53.44 52.88 1mum n ALA 216 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.10 1mum n ALA 216 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mum s THR 217 N -3.07 5.32 0.84 0.00 2.01 -1.26 -4.55 115.64 114.94 1mum s THR 217 Ca 0.10 0.48 -0.11 0.00 0.31 0.00 0.00 61.69 62.47 1mum s THR 217 Cb 0.16 -3.59 0.10 0.00 0.01 0.00 0.00 72.50 69.18 1mum s THR 217 CO 0.65 0.43 1.15 -2.84 -0.69 0.00 0.00 174.62 173.32 1mum s PRO 218 N 0.20 1.53 -1.34 4.92 0.02 -1.26 -4.85 135.00 134.21 1mum s PRO 218 Ca 0.15 1.52 -0.16 0.00 0.02 0.00 0.00 61.00 62.54 1mum s PRO 218 Cb -0.13 -1.79 0.07 0.00 0.02 0.00 0.00 34.50 32.68 1mum s PRO 218 CO 0.04 -2.25 1.87 1.28 -0.33 0.00 0.00 177.00 177.61 1mum n LEU 219 N -3.74 5.65 -4.77 -5.54 4.77 -1.26 -4.93 117.00 107.18 1mum n LEU 219 Ca 0.12 -4.07 -0.40 0.00 -0.03 0.00 0.00 56.01 51.62 1mum n LEU 219 Cb 0.52 -1.70 -0.02 0.00 -2.33 0.00 0.00 43.42 39.89 1mum n LEU 219 CO 0.50 0.56 0.93 -0.36 -1.33 0.00 0.00 177.39 177.69 1mum s PHE 220 N 3.48 3.07 0.61 -1.77 2.99 -1.26 -5.03 117.98 120.07 1mum s PHE 220 Ca 0.50 1.47 -0.08 0.00 0.00 0.00 0.00 56.93 58.82 1mum s PHE 220 Cb 0.07 -3.59 -0.00 0.00 0.00 0.00 0.00 43.02 39.50 1mum s PHE 220 CO 0.02 -1.66 0.95 0.95 -0.00 0.00 0.00 175.22 175.48 1mum s THR 221 N -1.21 3.95 0.36 0.64 -4.23 -1.26 -4.89 115.64 109.00 1mum s THR 221 Ca 0.51 0.27 0.04 0.00 -1.18 0.00 0.00 61.69 61.33 1mum s THR 221 Cb -0.37 -3.58 0.28 0.00 1.34 0.00 0.00 72.50 70.17 1mum s THR 221 CO 0.49 -0.66 1.99 0.71 -0.54 0.00 0.00 174.62 176.61 1mum h THR 222 N -0.25 1.10 -0.46 3.99 1.35 -1.98 -1.11 112.91 115.55 1mum h THR 222 Ca -0.45 -0.27 -0.09 0.00 -0.55 0.00 0.00 66.41 65.04 1mum h THR 222 Cb 1.24 0.23 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1mum h THR 222 CO 0.62 0.15 -0.05 0.44 -0.25 0.00 0.00 175.52 176.42 1mum h ASP 223 N 0.80 0.85 -0.66 5.36 3.32 -1.99 -0.62 116.42 123.47 1mum h ASP 223 Ca 0.26 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1mum h ASP 223 Cb 0.05 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1mum h ASP 223 CO -0.07 0.98 0.30 -0.33 -1.72 0.00 0.00 179.24 178.40 1mum h GLU 224 N 0.70 0.97 -0.46 3.56 5.08 -1.75 -2.13 114.58 120.54 1mum h GLU 224 Ca 0.12 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1mum h GLU 224 Cb 0.58 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1mum h GLU 224 CO 0.03 0.78 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.67 1mum h LEU 225 N 0.92 0.81 -1.10 1.33 3.38 -1.06 -2.53 115.31 117.07 1mum h LEU 225 Ca 0.22 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1mum h LEU 225 Cb 0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1mum h LEU 225 CO -0.02 0.93 0.18 -0.09 0.09 0.00 0.00 178.44 179.52 1mum h ARG 226 N 0.75 0.82 0.00 1.13 2.43 -0.76 -1.17 114.38 117.58 1mum h ARG 226 Ca 0.13 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1mum h ARG 226 Cb 0.57 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1mum h ARG 226 CO 0.04 0.71 -0.13 0.66 -1.51 0.00 0.00 179.97 179.73 1mum h SER 227 N 0.81 0.00 -0.60 -3.80 4.64 -0.97 -2.14 113.55 111.49 1mum h SER 227 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1mum h SER 227 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1mum h SER 227 CO -0.01 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 1mum n ALA 228 N -2.21 2.46 -3.06 5.18 0.00 -0.65 -4.94 120.51 117.30 1mum n ALA 228 Ca -0.01 -1.08 -0.19 0.00 0.00 0.00 0.00 53.44 52.16 1mum n ALA 228 Cb 0.31 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.85 1mum n ALA 228 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mum n HIS 229 N 1.23 -1.91 -3.00 0.00 -0.00 -0.80 -2.68 115.22 108.06 1mum n HIS 229 Ca 0.20 0.57 -0.40 0.00 -0.00 0.00 0.00 57.72 58.10 1mum n HIS 229 Cb 0.53 -4.11 -0.05 0.00 -0.00 0.00 0.00 29.99 26.36 1mum n HIS 229 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1mum s VAL 230 N -3.14 4.86 -0.06 1.59 1.01 -0.54 -4.68 120.40 119.45 1mum s VAL 230 Ca 0.33 1.57 0.13 0.00 0.00 0.00 0.00 61.98 64.01 1mum s VAL 230 Cb -0.15 -4.09 -0.21 0.00 0.00 0.00 0.00 36.38 31.93 1mum s VAL 230 CO 0.41 0.32 0.72 0.00 0.00 0.00 0.00 175.10 176.54 1mum h ALA 231 N 6.11 0.74 -3.86 5.51 0.00 -1.33 -3.34 119.26 123.09 1mum h ALA 231 Ca -0.43 -1.33 -0.34 0.00 0.00 0.00 0.00 54.91 52.82 1mum h ALA 231 Cb 1.20 0.43 -0.29 0.00 0.00 0.00 0.00 17.79 19.13 1mum h ALA 231 CO 0.73 1.44 -0.76 -1.64 0.00 0.00 0.00 179.25 179.02 1mum s MET 232 N -2.67 0.47 -0.25 0.00 -1.94 -0.70 -0.95 119.30 113.26 1mum s MET 232 Ca -0.04 -0.18 -0.02 0.00 -1.71 0.00 0.00 55.69 53.74 1mum s MET 232 Cb 0.08 -0.46 0.02 0.00 2.01 0.00 0.00 34.83 36.48 1mum s MET 232 CO 0.82 0.09 -0.05 0.00 -0.01 0.00 0.00 175.02 175.87 1mum s ALA 233 N -0.00 2.73 -0.15 3.03 0.00 -0.11 -0.43 121.76 126.83 1mum s ALA 233 Ca 0.01 -1.42 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 1mum s ALA 233 Cb -0.04 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1mum s ALA 233 CO -0.00 -0.76 0.06 -1.17 0.00 0.00 0.00 175.76 173.88 1mum s LEU 234 N 1.35 3.85 -0.60 0.00 2.96 0.94 -0.79 118.68 126.39 1mum s LEU 234 Ca 0.01 0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 1mum s LEU 234 Cb -0.16 -1.94 0.18 0.00 0.50 0.00 0.00 46.19 44.76 1mum s LEU 234 CO -0.04 0.26 0.46 -1.22 -1.32 0.00 0.00 176.35 174.49 1mum n TYR 235 N 2.95 1.83 -0.26 5.38 4.02 -0.41 -0.37 117.16 130.31 1mum n TYR 235 Ca -0.18 -3.96 0.04 0.00 -0.01 0.00 0.00 57.90 53.79 1mum n TYR 235 Cb 0.53 -0.33 0.17 0.00 -0.02 0.00 0.00 39.34 39.69 1mum n TYR 235 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1mum h PRO 236 N 5.38 0.53 0.00 -0.72 0.13 -1.85 0.10 132.00 135.57 1mum h PRO 236 Ca 0.19 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1mum h PRO 236 Cb 0.80 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1mum h PRO 236 CO 0.60 0.35 -0.05 1.28 -0.23 0.00 0.00 178.00 179.96 1mum n LEU 237 N -4.92 0.81 -0.16 1.56 4.77 -1.26 -3.97 117.00 113.84 1mum n LEU 237 Ca 0.13 -0.95 -0.09 0.00 -0.03 0.00 0.00 56.01 55.07 1mum n LEU 237 Cb 0.35 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1mum n LEU 237 CO 0.22 0.23 0.58 0.28 -1.33 0.00 0.00 177.39 177.38 1mum h SER 238 N 0.00 -1.39 -0.27 -1.43 0.02 -1.90 -0.01 113.55 108.57 1mum h SER 238 Ca 0.00 0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1mum h SER 238 Cb 0.87 0.63 -0.02 0.00 0.14 0.00 0.00 62.40 64.02 1mum h SER 238 CO 0.00 -0.35 -0.10 0.00 -1.14 0.00 0.00 176.83 175.24 1mum h ALA 239 N 0.57 1.10 -0.45 3.77 0.00 -1.87 -2.89 119.26 119.49 1mum h ALA 239 Ca 0.16 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1mum h ALA 239 Cb 0.57 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1mum h ALA 239 CO -0.61 0.56 0.25 0.35 0.00 0.00 0.00 179.25 179.80 1mum h PHE 240 N 0.61 0.47 -0.78 0.00 3.57 -1.56 0.10 116.94 119.35 1mum h PHE 240 Ca 0.11 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1mum h PHE 240 Cb 0.54 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1mum h PHE 240 CO 0.02 0.26 0.42 0.00 -2.23 0.00 0.00 178.31 176.78 1mum h ARG 241 N 0.51 1.09 -0.30 1.11 3.08 -0.86 -1.12 114.38 117.88 1mum h ARG 241 Ca 0.19 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.94 1mum h ARG 241 Cb 0.04 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1mum h ARG 241 CO -0.10 0.81 -0.46 0.00 -1.07 0.00 0.00 179.97 179.15 1mum h ALA 242 N 1.22 0.61 -0.74 0.04 0.00 -1.26 -2.93 119.26 116.20 1mum h ALA 242 Ca 0.27 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1mum h ALA 242 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1mum h ALA 242 CO -0.04 0.68 0.27 0.00 0.00 0.00 0.00 179.25 180.15 1mum h MET 243 N 0.64 1.11 -0.37 0.00 -0.00 -0.43 -1.97 114.93 113.91 1mum h MET 243 Ca 0.04 -0.21 -0.07 0.00 -0.00 0.00 0.00 59.70 59.46 1mum h MET 243 Cb 1.04 -0.18 -0.01 0.00 -0.00 0.00 0.00 31.60 32.45 1mum h MET 243 CO 0.10 0.92 -0.03 -0.91 -0.00 0.00 0.00 176.91 176.99 1mum h ASN 244 N 1.08 0.67 -0.67 -0.10 -0.26 -1.20 -1.14 115.58 113.96 1mum h ASN 244 Ca 0.24 -0.33 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 1mum h ASN 244 Cb 0.24 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.29 1mum h ASN 244 CO -0.02 0.83 0.38 -0.09 -1.06 0.00 0.00 177.43 177.48 1mum h ARG 245 N 0.48 0.92 -0.45 0.81 9.65 -1.37 0.05 114.38 124.47 1mum h ARG 245 Ca 0.10 -0.10 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 1mum h ARG 245 Cb 0.51 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1mum h ARG 245 CO 0.02 0.67 -0.21 0.00 2.80 0.00 0.00 179.97 183.26 1mum h ALA 246 N 1.19 0.78 -0.21 2.80 0.00 -1.25 -1.86 119.26 120.71 1mum h ALA 246 Ca 0.24 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1mum h ALA 246 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1mum h ALA 246 CO -0.04 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.87 1mum h ALA 247 N 0.97 0.28 -0.98 0.00 0.00 -0.91 -2.41 119.26 116.21 1mum h ALA 247 Ca 0.11 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1mum h ALA 247 Cb 0.76 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1mum h ALA 247 CO 0.06 -0.01 0.63 1.49 0.00 0.00 0.00 179.25 181.41 1mum h GLU 248 N 0.13 1.08 -0.28 0.00 4.81 -0.91 -0.88 114.58 118.54 1mum h GLU 248 Ca 0.06 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1mum h GLU 248 Cb 0.38 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1mum h GLU 248 CO 0.01 0.72 0.15 1.25 -0.73 0.00 0.00 179.01 180.40 1mum h HIS 249 N 1.12 0.38 -0.43 0.92 2.76 -1.15 -1.08 115.15 117.67 1mum h HIS 249 Ca 0.43 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1mum h HIS 249 Cb 0.22 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1mum h HIS 249 CO -0.01 0.32 0.27 0.28 -1.30 0.00 0.00 177.93 177.49 1mum h VAL 250 N 0.33 1.13 -0.63 5.26 2.07 -0.85 -0.64 116.25 122.92 1mum h VAL 250 Ca 0.10 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1mum h VAL 250 Cb 0.07 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1mum h VAL 250 CO -0.02 0.13 0.40 1.88 0.02 0.00 0.00 177.57 179.99 1mum h TYR 251 N 0.57 0.80 -0.02 1.57 0.05 -0.94 -0.54 116.97 118.46 1mum h TYR 251 Ca 0.15 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1mum h TYR 251 Cb -0.02 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 1mum h TYR 251 CO -0.04 0.52 -0.01 -0.91 -1.05 0.00 0.00 178.16 176.67 1mum h ASN 252 N 0.85 0.05 -0.67 3.88 2.35 -0.97 -1.82 115.58 119.25 1mum h ASN 252 Ca 0.23 -0.40 0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1mum h ASN 252 Cb -0.07 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1mum h ASN 252 CO -0.05 0.44 0.43 0.58 -1.65 0.00 0.00 177.43 177.18 1mum h VAL 253 N -0.34 1.12 -0.63 2.81 2.07 -1.06 0.39 116.25 120.61 1mum h VAL 253 Ca 0.01 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1mum h VAL 253 Cb 0.42 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1mum h VAL 253 CO 0.00 0.16 0.22 0.25 0.02 0.00 0.00 177.57 178.22 1mum h LEU 254 N 0.86 0.87 -0.22 2.57 5.85 -1.10 0.10 115.31 124.24 1mum h LEU 254 Ca 0.26 -0.13 -0.20 0.00 0.84 0.00 0.00 57.88 58.65 1mum h LEU 254 Cb -0.03 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 40.78 1mum h LEU 254 CO -0.08 0.80 -0.64 -0.09 -0.34 0.00 0.00 178.44 178.08 1mum h ARG 255 N 0.92 0.82 0.01 1.25 9.65 -0.72 -2.07 114.38 124.25 1mum h ARG 255 Ca 0.21 -0.59 -0.20 0.00 -1.10 0.00 0.00 59.98 58.30 1mum h ARG 255 Cb 0.23 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1mum h ARG 255 CO -0.01 1.21 -0.93 1.96 2.80 0.00 0.00 179.97 185.00 1mum h GLN 256 N 0.58 0.04 -0.00 0.20 4.20 -0.72 -3.37 115.11 116.05 1mum h GLN 256 Ca -0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1mum h GLN 256 Cb 1.27 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1mum h GLN 256 CO 0.14 0.94 -0.40 0.39 -0.67 0.00 0.00 178.83 179.22 1mum n GLU 257 N -3.49 2.56 -1.12 1.46 1.02 0.33 -4.99 120.64 116.42 1mum n GLU 257 Ca -0.01 -0.33 -0.04 0.00 -0.02 0.00 0.00 57.16 56.75 1mum n GLU 257 Cb 0.87 -1.10 -0.02 0.00 -0.02 0.00 0.00 31.44 31.17 1mum n GLU 257 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mum n GLY 258 N 1.13 0.66 3.55 0.62 0.00 -0.78 -4.97 105.19 105.41 1mum n GLY 258 Ca 0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 1mum n GLY 258 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mum s THR 259 N -1.98 0.00 -2.47 2.61 -1.32 -1.24 -5.04 115.64 106.21 1mum s THR 259 Ca 0.00 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.71 1mum s THR 259 Cb 0.00 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.41 1mum s THR 259 CO 0.00 0.00 1.42 0.00 -2.21 0.00 0.00 174.62 173.83 1mum n GLN 260 N 0.23 2.36 -0.33 7.08 0.00 -1.26 -4.25 117.38 121.21 1mum n GLN 260 Ca -0.08 -2.04 0.10 0.00 0.00 0.00 0.00 57.00 54.98 1mum n GLN 260 Cb 0.59 -1.49 0.22 0.00 0.00 0.00 0.00 30.24 29.56 1mum n GLN 260 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1mum h LYS 261 N 4.06 0.02 0.00 2.61 1.57 -1.97 0.18 116.57 123.03 1mum h LYS 261 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mum h LYS 261 Cb 0.89 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1mum h LYS 261 CO 0.00 0.01 0.00 0.77 -0.57 0.00 0.00 179.45 179.66 1mum h SER 262 N 0.02 0.00 -0.05 0.86 0.02 -1.98 -3.09 113.55 109.32 1mum h SER 262 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1mum h SER 262 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1mum h SER 262 CO -0.91 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 176.11 1mum n VAL 263 N -2.81 1.64 -0.27 2.27 0.24 0.04 -4.69 118.33 114.75 1mum n VAL 263 Ca -0.01 -1.79 -0.02 0.00 -2.04 0.00 0.00 64.34 60.48 1mum n VAL 263 Cb 0.13 0.01 0.17 0.00 -1.47 0.00 0.00 33.84 32.68 1mum n VAL 263 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1mum h ILE 264 N 0.35 1.23 0.00 1.34 1.08 -1.45 -1.99 117.51 118.07 1mum h ILE 264 Ca 0.00 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1mum h ILE 264 Cb 0.90 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 1mum h ILE 264 CO 0.03 0.24 0.00 -0.90 -0.69 0.00 0.00 178.15 176.83 1mum n ASP 265 N -4.37 0.00 -1.01 1.72 5.75 -1.26 -1.23 116.55 116.15 1mum n ASP 265 Ca 0.09 0.15 0.11 0.00 -0.01 0.00 0.00 54.79 55.13 1mum n ASP 265 Cb 0.07 -0.29 0.15 0.00 -1.03 0.00 0.00 41.12 40.02 1mum n ASP 265 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1mum n THR 266 N -1.29 0.28 -4.00 2.12 -2.24 -0.75 -4.98 114.28 103.43 1mum n THR 266 Ca 0.05 -0.64 -0.34 0.00 -2.27 0.00 0.00 64.05 60.85 1mum n THR 266 Cb 0.09 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.45 1mum n THR 266 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1mum s MET 267 N -1.62 3.28 0.18 -0.78 -1.94 -0.36 -5.07 119.30 112.99 1mum s MET 267 Ca 0.32 -0.35 -0.31 0.00 -1.71 0.00 0.00 55.69 53.64 1mum s MET 267 Cb 0.20 -3.01 -0.10 0.00 2.01 0.00 0.00 34.83 33.93 1mum s MET 267 CO 0.29 0.69 1.49 -1.14 -0.01 0.00 0.00 175.02 176.34 1mum s GLN 268 N -1.62 4.26 0.89 2.03 0.74 -1.26 -4.98 119.66 119.72 1mum s GLN 268 Ca 0.22 2.28 -0.12 0.00 0.05 0.00 0.00 55.36 57.79 1mum s GLN 268 Cb -0.12 -3.16 0.13 0.00 1.10 0.00 0.00 33.01 30.95 1mum s GLN 268 CO 0.13 -0.51 1.11 0.95 -0.55 0.00 0.00 175.29 176.42 1mum s THR 269 N 0.79 2.49 0.18 -0.34 -4.23 -1.26 -4.83 115.64 108.45 1mum s THR 269 Ca 0.66 0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 61.21 1mum s THR 269 Cb -0.42 -2.79 0.10 0.00 1.34 0.00 0.00 72.50 70.74 1mum s THR 269 CO 0.34 -0.21 1.77 -0.09 -0.54 0.00 0.00 174.62 175.90 1mum h ARG 270 N -1.47 0.94 -0.67 3.99 2.43 -1.99 -0.89 114.38 116.71 1mum h ARG 270 Ca -0.50 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1mum h ARG 270 Cb 1.30 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 1mum h ARG 270 CO 0.58 0.76 0.42 -0.91 -1.51 0.00 0.00 179.97 179.31 1mum h ASN 271 N 0.90 0.80 -0.66 -3.80 -0.26 -1.99 -0.97 115.58 109.60 1mum h ASN 271 Ca 0.22 -0.05 -0.06 0.00 -0.56 0.00 0.00 56.30 55.85 1mum h ASN 271 Cb 0.13 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.16 1mum h ASN 271 CO -0.03 0.62 0.16 -0.33 -1.06 0.00 0.00 177.43 176.79 1mum h GLU 272 N 0.92 1.06 0.14 0.81 5.08 -1.82 -0.87 114.58 119.89 1mum h GLU 272 Ca 0.24 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1mum h GLU 272 Cb -0.05 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1mum h GLU 272 CO -0.05 0.95 -0.07 1.25 -1.00 0.00 0.00 179.01 180.09 1mum h LEU 273 N 0.98 -0.16 -0.56 1.33 6.46 -0.75 -0.35 115.31 122.27 1mum h LEU 273 Ca 0.21 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1mum h LEU 273 Cb 0.36 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.29 1mum h LEU 273 CO 0.00 -0.05 0.30 1.88 -0.62 0.00 0.00 178.44 179.95 1mum h TYR 274 N -0.25 0.55 -0.61 1.25 -1.99 -1.05 -1.96 116.97 112.91 1mum h TYR 274 Ca -0.02 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1mum h TYR 274 Cb 0.20 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 1mum h TYR 274 CO -0.05 0.27 0.34 1.49 -0.00 0.00 0.00 178.16 180.22 1mum h GLU 275 N 0.57 0.84 0.00 4.88 4.81 -1.02 -0.61 114.58 124.05 1mum h GLU 275 Ca 0.24 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1mum h GLU 275 Cb 0.13 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1mum h GLU 275 CO -0.15 0.63 -0.23 0.77 -0.73 0.00 0.00 179.01 179.30 1mum h SER 276 N 0.83 0.00 -0.51 1.04 0.02 -0.46 -2.58 113.55 111.89 1mum h SER 276 Ca 0.22 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1mum h SER 276 Cb 0.03 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 1mum h SER 276 CO -0.04 0.23 0.09 2.30 -1.14 0.00 0.00 176.83 178.27 1mum n ILE 277 N -4.00 2.66 -3.88 3.27 -5.35 -0.79 -4.71 119.36 106.56 1mum n ILE 277 Ca -0.02 -1.76 -0.31 0.00 -0.27 0.00 0.00 62.75 60.39 1mum n ILE 277 Cb 0.31 -0.30 -0.02 0.00 -1.74 0.00 0.00 39.64 37.89 1mum n ILE 277 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1mum n ASN 278 N -0.17 -3.46 -0.24 7.28 3.02 -0.97 -4.83 115.26 115.88 1mum n ASN 278 Ca 0.31 -0.75 0.01 0.00 -0.03 0.00 0.00 54.58 54.12 1mum n ASN 278 Cb 1.16 -2.85 0.09 0.00 -0.61 0.00 0.00 39.78 37.57 1mum n ASN 278 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1mum h TYR 279 N -1.30 -0.32 0.00 3.10 3.20 -1.36 -1.45 116.97 118.84 1mum h TYR 279 Ca -0.52 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.40 1mum h TYR 279 Cb 1.34 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.86 1mum h TYR 279 CO 0.65 -0.29 -0.06 1.88 -1.64 0.00 0.00 178.16 178.71 1mum h TYR 280 N 0.02 0.00 0.00 -3.82 -1.99 -1.88 -2.15 116.97 107.14 1mum h TYR 280 Ca 0.35 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.08 1mum h TYR 280 Cb 0.54 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.27 1mum h TYR 280 CO -0.54 0.06 0.00 1.96 -0.00 0.00 0.00 178.16 179.64 1mum h GLN 281 N 0.00 0.00 0.15 4.88 4.20 -1.63 -2.72 115.11 119.99 1mum h GLN 281 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1mum h GLN 281 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1mum h GLN 281 CO 0.01 0.00 -0.07 1.88 -0.67 0.00 0.00 178.83 179.98 1mum h TYR 282 N 0.00 -0.18 0.00 2.96 -1.99 -1.50 -2.08 116.97 114.18 1mum h TYR 282 Ca 0.00 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 1mum h TYR 282 Cb 0.12 0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 1mum h TYR 282 CO 0.00 0.27 -0.26 1.49 -0.00 0.00 0.00 178.16 179.66 1mum h GLU 283 N -0.80 0.00 -0.15 4.88 4.81 -1.71 -1.94 114.58 119.66 1mum h GLU 283 Ca -0.02 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1mum h GLU 283 Cb 0.54 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1mum h GLU 283 CO 0.03 0.26 -0.28 0.93 -0.73 0.00 0.00 179.01 179.22 1mum h GLU 284 N 0.00 0.29 -0.24 1.92 5.08 -1.49 -1.60 114.58 118.53 1mum h GLU 284 Ca -0.00 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 1mum h GLU 284 Cb 0.65 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1mum h GLU 284 CO 0.03 0.55 -0.52 -0.22 -1.00 0.00 0.00 179.01 177.86 1mum h LYS 285 N 0.26 0.69 -0.76 2.33 3.64 -0.62 -1.59 116.57 120.51 1mum h LYS 285 Ca 0.04 -0.42 -0.05 0.00 -1.27 0.00 0.00 60.65 58.95 1mum h LYS 285 Cb 0.64 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1mum h LYS 285 CO 0.05 1.04 0.28 -0.07 -2.27 0.00 0.00 179.45 178.48 1mum h LEU 286 N 0.54 1.07 -0.65 5.20 3.38 -1.07 0.21 115.31 123.99 1mum h LEU 286 Ca 0.02 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 1mum h LEU 286 Cb 1.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1mum h LEU 286 CO 0.11 0.97 -0.45 0.44 0.09 0.00 0.00 178.44 179.60 1mum h ASP 287 N 1.12 0.57 0.01 -0.43 3.32 -1.17 -0.30 116.42 119.55 1mum h ASP 287 Ca 0.25 -0.27 -0.20 0.00 0.02 0.00 0.00 57.03 56.84 1mum h ASP 287 Cb 0.25 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1mum h ASP 287 CO -0.02 0.94 -0.70 0.78 -1.72 0.00 0.00 179.24 178.52 1mum h ASN 288 N 0.43 0.73 0.07 6.45 2.35 -0.95 -3.32 115.58 121.35 1mum h ASN 288 Ca 0.03 -0.46 -0.19 0.00 -0.55 0.00 0.00 56.30 55.13 1mum h ASN 288 Cb 0.95 -0.22 0.02 0.00 0.05 0.00 0.00 38.32 39.12 1mum h ASN 288 CO 0.08 1.22 -0.79 -0.07 -1.65 0.00 0.00 177.43 176.23 1mum h LEU 289 N 0.44 0.57 0.00 1.61 3.38 -0.93 -3.48 115.31 116.90 1mum h LEU 289 Ca -0.03 -0.84 -0.14 0.00 0.09 0.00 0.00 57.88 56.96 1mum h LEU 289 Cb 1.30 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1mum h LEU 289 CO 0.14 1.35 -0.09 0.49 0.09 0.00 0.00 178.44 180.41 1mum n PHE 290 N -4.11 -0.20 -0.54 1.13 3.01 -0.13 -5.09 117.46 111.52 1mum n PHE 290 Ca -0.12 -0.54 0.00 0.00 1.01 0.00 0.00 57.45 57.80 1mum n PHE 290 Cb 0.78 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 1mum n PHE 290 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77