#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 3.71 -0.27 -1.77 5.65 -1.26 -5.07 115.29 116.29 1mum s HIS 4 Ca 0.00 1.45 0.01 0.00 0.25 0.00 0.00 55.06 56.78 1mum s HIS 4 Cb 0.00 -2.66 0.07 0.00 -1.18 0.00 0.00 32.58 28.81 1mum s HIS 4 CO 0.00 0.37 -0.02 0.45 -0.65 0.00 0.00 174.74 174.90 1mum s SER 5 N -1.53 4.08 0.43 9.88 0.15 -1.26 -4.99 113.70 120.46 1mum s SER 5 Ca 0.41 -1.43 0.12 0.00 0.70 0.00 0.00 55.95 55.75 1mum s SER 5 Cb -0.18 -1.24 0.99 0.00 -1.71 0.00 0.00 66.02 63.88 1mum s SER 5 CO 0.22 -0.28 2.02 1.55 1.20 0.00 0.00 173.24 177.94 1mum h PRO 6 N 7.90 0.42 -0.57 5.44 0.13 -1.89 -1.18 132.00 142.25 1mum h PRO 6 Ca -0.15 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1mum h PRO 6 Cb 1.05 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 1mum h PRO 6 CO 0.44 0.27 0.37 0.78 -0.23 0.00 0.00 178.00 179.64 1mum h GLY 7 N 0.43 0.80 0.96 1.56 0.00 -1.77 0.33 103.07 105.38 1mum h GLY 7 Ca 0.22 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.27 1mum h GLY 7 CO -0.06 0.28 0.55 0.50 0.00 0.00 0.00 176.54 177.81 1mum h LYS 8 N 0.75 1.07 -0.45 4.80 1.57 -1.36 -1.45 116.57 121.51 1mum h LYS 8 Ca 0.21 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1mum h LYS 8 Cb -0.07 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 31.98 1mum h LYS 8 CO -0.05 0.71 0.13 0.00 -0.57 0.00 0.00 179.45 179.67 1mum h ALA 9 N 1.32 1.39 -0.10 3.86 0.00 -0.73 -0.58 119.26 124.41 1mum h ALA 9 Ca 0.32 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1mum h ALA 9 Cb -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1mum h ALA 9 CO -0.08 0.44 -0.06 0.35 0.00 0.00 0.00 179.25 179.90 1mum h PHE 10 N 0.64 0.26 -0.47 0.00 3.57 -0.03 -1.58 116.94 119.33 1mum h PHE 10 Ca 0.15 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1mum h PHE 10 Cb 0.21 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1mum h PHE 10 CO 0.01 0.59 0.23 0.00 -2.23 0.00 0.00 178.31 176.92 1mum h ARG 11 N -0.14 0.66 -0.30 1.11 3.08 -1.05 -1.85 114.38 115.89 1mum h ARG 11 Ca 0.02 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1mum h ARG 11 Cb 0.53 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1mum h ARG 11 CO 0.02 0.50 -0.40 0.00 -1.07 0.00 0.00 179.97 179.02 1mum h ALA 12 N 1.60 0.74 -0.84 0.04 0.00 -1.01 -2.88 119.26 116.91 1mum h ALA 12 Ca 0.17 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1mum h ALA 12 Cb 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1mum h ALA 12 CO -0.02 0.66 0.41 0.00 0.00 0.00 0.00 179.25 180.29 1mum h ALA 13 N 0.97 1.13 -0.28 0.00 0.00 -0.52 -1.90 119.26 118.67 1mum h ALA 13 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1mum h ALA 13 Cb 0.94 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1mum h ALA 13 CO 0.09 0.66 0.14 -0.07 0.00 0.00 0.00 179.25 180.07 1mum h LEU 14 N 1.20 0.33 -0.39 0.00 3.38 -1.18 -2.36 115.31 116.29 1mum h LEU 14 Ca 0.29 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.06 1mum h LEU 14 Cb 0.11 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1mum h LEU 14 CO -0.04 0.27 -0.71 0.74 0.09 0.00 0.00 178.44 178.80 1mum h THR 15 N 0.38 1.36 -0.02 0.22 2.02 -1.15 -3.29 112.91 112.43 1mum h THR 15 Ca 0.10 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1mum h THR 15 Cb 0.02 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1mum h THR 15 CO -0.02 0.63 -0.06 2.29 0.37 0.00 0.00 175.52 178.74 1mum n LYS 16 N -3.86 1.70 -3.55 6.66 2.85 -0.99 -4.75 118.16 116.21 1mum n LYS 16 Ca -0.05 -1.14 -0.26 0.00 -1.05 0.00 0.00 58.31 55.82 1mum n LYS 16 Cb 0.70 -1.48 -0.15 0.00 -0.65 0.00 0.00 35.03 33.45 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 -2.09 0.15 1.12 -1.58 2.12 -0.92 -5.10 118.70 112.41 1mum s GLU 17 Ca 0.33 -0.28 -0.14 0.00 0.36 0.00 0.00 54.97 55.24 1mum s GLU 17 Cb 0.20 -1.38 0.21 0.00 0.26 0.00 0.00 34.13 33.42 1mum s GLU 17 CO 0.36 -0.86 0.70 -1.71 -0.54 0.00 0.00 175.26 173.21 1mum n ASN 18 N 5.27 -1.74 -2.32 -1.70 2.85 -1.26 -2.44 115.26 113.92 1mum n ASN 18 Ca -0.06 -0.06 -0.11 0.00 -0.11 0.00 0.00 54.58 54.24 1mum n ASN 18 Cb 0.46 -1.19 0.01 0.00 1.24 0.00 0.00 39.78 40.29 1mum n ASN 18 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1mum n PRO 19 N -3.86 -0.60 -2.21 1.20 -0.02 -1.24 -4.66 135.00 123.61 1mum n PRO 19 Ca 0.03 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 1mum n PRO 19 Cb 0.56 -0.71 -0.02 0.00 -0.02 0.00 0.00 33.50 33.31 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 -1.77 3.92 0.00 2.45 2.96 -0.35 -4.72 118.68 121.17 1mum s LEU 20 Ca 0.08 1.53 -0.30 0.00 -0.22 0.00 0.00 54.13 55.21 1mum s LEU 20 Cb -0.01 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1mum s LEU 20 CO 0.30 -1.17 1.05 -1.10 -1.32 0.00 0.00 176.35 174.11 1mum s GLN 21 N 4.45 4.51 -0.17 1.98 -0.21 -1.26 -0.70 119.66 128.25 1mum s GLN 21 Ca 0.66 1.52 0.00 0.00 0.02 0.00 0.00 55.36 57.56 1mum s GLN 21 Cb -0.23 -3.44 0.04 0.00 1.00 0.00 0.00 33.01 30.38 1mum s GLN 21 CO 0.27 -0.14 -0.08 0.42 -2.12 0.00 0.00 175.29 173.63 1mum s ILE 22 N 1.17 1.34 -0.05 1.08 1.01 0.26 -4.35 121.20 121.66 1mum s ILE 22 Ca 0.54 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 1mum s ILE 22 Cb -0.23 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1mum s ILE 22 CO 0.27 0.20 0.06 0.68 0.00 0.00 0.00 174.94 176.16 1mum s VAL 23 N 1.54 4.71 0.29 2.92 -7.23 -1.23 -1.49 120.40 119.91 1mum s VAL 23 Ca 0.01 -0.26 -0.29 0.00 -1.81 0.00 0.00 61.98 59.63 1mum s VAL 23 Cb -0.15 -3.08 -0.10 0.00 0.56 0.00 0.00 36.38 33.61 1mum s VAL 23 CO -0.08 0.48 1.17 -0.83 -0.31 0.00 0.00 175.10 175.53 1mum s GLY 24 N -1.34 3.02 -0.21 2.32 0.00 -0.12 -0.98 107.32 110.01 1mum s GLY 24 Ca 0.18 1.01 0.01 0.00 0.00 0.00 0.00 44.72 45.93 1mum s GLY 24 CO 0.08 1.65 -0.11 -0.51 0.00 0.00 0.00 173.10 174.21 1mum s THR 25 N -1.09 1.78 0.37 0.90 -4.23 0.02 -4.72 115.64 108.68 1mum s THR 25 Ca 0.46 -1.15 0.17 0.00 -1.18 0.00 0.00 61.69 59.99 1mum s THR 25 Cb -0.34 -1.86 0.16 0.00 1.34 0.00 0.00 72.50 71.80 1mum s THR 25 CO 0.44 0.14 1.90 -0.29 -0.54 0.00 0.00 174.62 176.28 1mum h ILE 26 N 6.45 1.04 -3.57 2.99 6.09 -1.92 -3.44 117.51 125.16 1mum h ILE 26 Ca -0.27 -1.01 -0.12 0.00 -1.37 0.00 0.00 64.86 62.09 1mum h ILE 26 Cb 1.09 1.57 -0.05 0.00 0.47 0.00 0.00 36.82 39.90 1mum h ILE 26 CO 0.48 0.27 0.01 0.54 -3.07 0.00 0.00 178.15 176.39 1mum s ASN 27 N -6.72 0.32 0.24 2.19 2.20 -1.26 -4.90 114.94 107.01 1mum s ASN 27 Ca -0.03 -1.20 -0.05 0.00 -0.94 0.00 0.00 52.86 50.65 1mum s ASN 27 Cb 0.14 0.72 0.40 0.00 -2.00 0.00 0.00 41.25 40.50 1mum s ASN 27 CO 0.68 -1.40 1.78 0.00 -2.94 0.00 0.00 177.10 175.23 1mum h ALA 28 N 2.09 1.10 -0.47 3.54 0.00 -1.89 -2.28 119.26 121.35 1mum h ALA 28 Ca -0.28 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1mum h ALA 28 Cb 1.25 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1mum h ALA 28 CO 0.37 -0.02 0.25 -0.97 0.00 0.00 0.00 179.25 178.89 1mum h ASN 29 N 0.65 0.38 0.84 0.00 -0.73 -1.97 -2.03 115.58 112.74 1mum h ASN 29 Ca 0.39 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.55 1mum h ASN 29 Cb 0.44 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 38.96 1mum h ASN 29 CO -0.29 0.27 -0.12 0.45 -0.37 0.00 0.00 177.43 177.37 1mum h HIS 30 N 0.50 0.00 -0.49 0.67 3.86 -1.82 -2.15 115.15 115.72 1mum h HIS 30 Ca 0.20 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.29 1mum h HIS 30 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1mum h HIS 30 CO -0.09 0.12 -0.15 0.00 0.86 0.00 0.00 177.93 178.67 1mum h ALA 31 N 1.88 0.80 -0.28 2.45 0.00 -0.90 0.08 119.26 123.29 1mum h ALA 31 Ca -0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1mum h ALA 31 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1mum h ALA 31 CO 0.02 0.66 -0.36 -0.07 0.00 0.00 0.00 179.25 179.49 1mum h LEU 32 N 0.84 0.67 -0.50 0.00 3.38 -1.07 -0.62 115.31 118.01 1mum h LEU 32 Ca 0.12 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1mum h LEU 32 Cb 0.70 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1mum h LEU 32 CO 0.05 0.97 0.05 -0.07 0.09 0.00 0.00 178.44 179.53 1mum h LEU 33 N 0.53 0.83 -1.03 1.67 3.38 -1.07 -0.65 115.31 118.96 1mum h LEU 33 Ca 0.05 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1mum h LEU 33 Cb 0.87 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1mum h LEU 33 CO 0.08 0.90 -0.12 0.00 0.09 0.00 0.00 178.44 179.39 1mum h ALA 34 N 0.96 1.19 -0.43 1.53 0.00 -0.78 -0.28 119.26 121.45 1mum h ALA 34 Ca 0.15 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1mum h ALA 34 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1mum h ALA 34 CO 0.02 0.52 -0.20 0.37 0.00 0.00 0.00 179.25 179.96 1mum h GLN 35 N 0.52 0.89 0.00 0.00 4.15 -0.78 -2.20 115.11 117.68 1mum h GLN 35 Ca 0.09 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.12 1mum h GLN 35 Cb 0.51 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1mum h GLN 35 CO 0.03 1.04 -0.05 0.00 -1.93 0.00 0.00 178.83 177.92 1mum h ARG 36 N 0.72 0.00 0.00 1.69 2.47 -0.75 -2.36 114.38 116.15 1mum h ARG 36 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1mum h ARG 36 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1mum h ARG 36 CO 0.06 0.05 -0.01 0.00 0.56 0.00 0.00 179.97 180.63 1mum n ALA 37 N -2.12 2.35 0.00 0.04 0.00 -0.15 -4.92 120.51 115.70 1mum n ALA 37 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1mum n ALA 37 Cb 0.36 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.45 0.70 3.77 0.00 0.00 -0.89 -5.07 105.19 105.15 1mum n GLY 38 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 2.80 -1.13 1.61 1.51 -0.86 -4.96 117.35 114.32 1mum s TYR 39 Ca 0.00 1.53 0.19 0.00 -1.01 0.00 0.00 57.07 57.78 1mum s TYR 39 Cb 0.00 -3.40 -0.16 0.00 -0.11 0.00 0.00 41.96 38.30 1mum s TYR 39 CO 0.00 -1.62 0.86 1.04 -1.11 0.00 0.00 175.55 174.72 1mum n GLN 40 N -0.64 0.90 -3.64 -0.62 1.13 -1.26 -4.68 117.38 108.56 1mum n GLN 40 Ca 0.08 -0.24 -0.15 0.00 -1.94 0.00 0.00 57.00 54.75 1mum n GLN 40 Cb 0.48 -1.40 -0.07 0.00 0.11 0.00 0.00 30.24 29.36 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 -2.66 -1.31 0.39 -1.58 0.00 -1.26 -4.26 121.76 111.08 1mum s ALA 41 Ca 0.10 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.06 1mum s ALA 41 Cb 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1mum s ALA 41 CO 0.71 -0.31 0.08 0.96 0.00 0.00 0.00 175.76 177.21 1mum s ILE 42 N -0.99 0.94 0.02 0.00 -4.36 -0.62 -3.56 121.20 112.64 1mum s ILE 42 Ca -0.10 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.30 1mum s ILE 42 Cb -0.03 -2.53 -0.01 0.00 1.25 0.00 0.00 42.46 41.14 1mum s ILE 42 CO 0.06 0.00 -0.05 -0.47 0.24 0.00 0.00 174.94 174.72 1mum s TYR 43 N -3.20 0.42 -0.43 1.37 5.04 -0.15 -1.42 117.35 118.99 1mum s TYR 43 Ca 0.27 -0.28 -0.03 0.00 -2.44 0.00 0.00 57.07 54.59 1mum s TYR 43 Cb 0.05 -0.27 0.11 0.00 0.35 0.00 0.00 41.96 42.21 1mum s TYR 43 CO 0.14 -0.06 0.23 -1.17 -1.34 0.00 0.00 175.55 173.35 1mum s LEU 44 N -0.80 5.27 0.15 6.97 2.96 -0.30 -0.80 118.68 132.14 1mum s LEU 44 Ca -0.05 -2.10 -0.31 0.00 -0.22 0.00 0.00 54.13 51.46 1mum s LEU 44 Cb -0.06 -1.84 -0.08 0.00 0.50 0.00 0.00 46.19 44.71 1mum s LEU 44 CO -0.00 -0.54 1.34 -0.55 -1.32 0.00 0.00 176.35 175.28 1mum s SER 45 N 1.77 6.87 0.20 3.68 0.15 -1.26 -1.88 113.70 123.23 1mum s SER 45 Ca 0.09 2.34 -0.04 0.00 0.70 0.00 0.00 55.95 59.04 1mum s SER 45 Cb -0.23 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 61.63 1mum s SER 45 CO -0.04 -0.58 1.55 1.23 1.20 0.00 0.00 173.24 176.60 1mum h GLY 46 N 6.11 0.71 2.00 9.45 0.00 -1.97 -0.52 103.07 118.84 1mum h GLY 46 Ca -0.43 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.11 1mum h GLY 46 CO 0.82 0.65 -0.30 -1.33 0.00 0.00 0.00 176.54 176.38 1mum h GLY 47 N 0.99 0.00 1.24 4.60 0.00 -1.95 -2.07 103.07 105.88 1mum h GLY 47 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.13 1mum h GLY 47 CO 0.09 0.00 -0.91 -1.33 0.00 0.00 0.00 176.54 174.38 1mum h GLY 48 N 0.94 0.78 1.00 4.60 0.00 -1.78 -0.68 103.07 107.93 1mum h GLY 48 Ca -0.00 -1.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.08 1mum h GLY 48 CO 0.04 1.10 0.35 -2.08 0.00 0.00 0.00 176.54 175.96 1mum h VAL 49 N 0.44 1.17 0.55 4.60 2.07 -0.80 0.51 116.25 124.79 1mum h VAL 49 Ca -0.09 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1mum h VAL 49 Cb 1.55 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1mum h VAL 49 CO 0.18 0.17 -0.27 0.00 0.02 0.00 0.00 177.57 177.67 1mum h ALA 50 N 1.18 -0.97 -0.51 1.67 0.00 -1.35 -1.35 119.26 117.93 1mum h ALA 50 Ca 0.21 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1mum h ALA 50 Cb -0.03 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1mum h ALA 50 CO -0.04 -0.91 -0.13 0.00 0.00 0.00 0.00 179.25 178.16 1mum h ALA 51 N -1.49 0.79 0.00 0.00 0.00 -0.00 0.41 119.26 118.97 1mum h ALA 51 Ca -0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1mum h ALA 51 Cb 0.57 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mum h ALA 51 CO 0.12 0.66 -0.34 0.78 0.00 0.00 0.00 179.25 180.48 1mum h GLY 52 N 0.93 0.00 1.74 0.00 0.00 -0.10 -2.82 103.07 102.82 1mum h GLY 52 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.31 1mum h GLY 52 CO 0.05 0.00 -0.64 1.76 0.00 0.00 0.00 176.54 177.71 1mum h SER 53 N -1.00 0.30 0.00 0.19 0.02 -1.15 -3.34 113.55 108.56 1mum h SER 53 Ca -0.03 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1mum h SER 53 Cb 0.40 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1mum h SER 53 CO -0.02 0.86 -0.56 0.18 -1.14 0.00 0.00 176.83 176.16 1mum n LEU 54 N -3.85 0.41 -2.06 5.07 4.77 -0.59 -4.99 117.00 115.75 1mum n LEU 54 Ca -0.03 -0.45 -0.17 0.00 -0.03 0.00 0.00 56.01 55.33 1mum n LEU 54 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1mum n LEU 54 CO 0.45 0.10 -0.16 0.61 -1.33 0.00 0.00 177.39 177.06 1mum n GLY 55 N 1.30 -0.32 3.48 -0.72 0.00 0.44 -4.95 105.19 104.43 1mum n GLY 55 Ca 0.01 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.00 2.65 0.78 0.99 1.43 0.12 -4.90 118.68 114.74 1mum s LEU 56 Ca 0.06 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 1mum s LEU 56 Cb -0.03 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.91 1mum s LEU 56 CO 0.07 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.69 1mum s PRO 57 N -2.83 2.21 -1.46 1.29 0.04 -1.26 -1.50 135.00 131.49 1mum s PRO 57 Ca 0.23 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 1mum s PRO 57 Cb -0.08 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1mum s PRO 57 CO 0.12 -1.67 2.38 -3.47 0.04 0.00 0.00 177.00 174.41 1mum n ASP 58 N -3.54 5.82 -0.68 6.66 2.03 -1.26 -4.53 116.55 121.05 1mum n ASP 58 Ca 0.09 -2.85 0.07 0.00 0.52 0.00 0.00 54.79 52.62 1mum n ASP 58 Cb 0.53 -1.57 0.21 0.00 -0.72 0.00 0.00 41.12 39.57 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 4.59 3.42 -0.64 -2.67 4.32 -1.26 -4.96 117.00 119.80 1mum n LEU 59 Ca 0.58 -3.19 -0.05 0.00 -0.02 0.00 0.00 56.01 53.33 1mum n LEU 59 Cb 0.33 -0.52 -0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1mum n LEU 59 CO 0.85 0.80 -0.06 0.61 -1.22 0.00 0.00 177.39 178.38 1mum n GLY 60 N -0.90 0.19 0.09 -0.72 0.00 -1.26 -4.94 105.19 97.64 1mum n GLY 60 Ca 0.21 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.94 1.25 -1.86 -0.61 5.41 -1.26 -4.92 119.36 113.43 1mum n ILE 61 Ca -0.06 -0.74 -0.37 0.00 1.00 0.00 0.00 62.75 62.58 1mum n ILE 61 Cb 0.54 -0.70 0.05 0.00 -0.71 0.00 0.00 39.64 38.83 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 -5.69 4.97 0.37 4.38 0.15 -1.26 -5.04 113.70 111.58 1mum s SER 62 Ca -0.05 2.56 0.08 0.00 0.70 0.00 0.00 55.95 59.24 1mum s SER 62 Cb 0.08 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1mum s SER 62 CO 0.83 -1.75 0.22 0.42 1.20 0.00 0.00 173.24 174.15 1mum s THR 63 N -1.45 2.87 0.23 6.45 -4.23 -1.26 -5.01 115.64 113.24 1mum s THR 63 Ca 0.78 -1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 59.66 1mum s THR 63 Cb -0.35 -3.02 0.19 0.00 1.34 0.00 0.00 72.50 70.66 1mum s THR 63 CO 0.39 -0.10 1.79 0.25 -0.54 0.00 0.00 174.62 176.40 1mum h LEU 64 N 1.37 0.55 -1.54 4.79 5.85 -1.96 -1.72 115.31 122.65 1mum h LEU 64 Ca -0.43 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1mum h LEU 64 Cb 1.26 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1mum h LEU 64 CO 0.63 0.31 -0.02 0.44 -0.34 0.00 0.00 178.44 179.46 1mum h ASP 65 N 0.68 0.24 -0.64 1.25 3.32 -1.98 0.14 116.42 119.43 1mum h ASP 65 Ca 0.37 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 1mum h ASP 65 Cb 0.36 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1mum h ASP 65 CO -0.26 0.31 0.22 0.44 -1.72 0.00 0.00 179.24 178.24 1mum h ASP 66 N 0.26 0.94 -0.09 6.45 3.32 -1.71 -1.35 116.42 124.24 1mum h ASP 66 Ca 0.06 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 1mum h ASP 66 Cb 0.22 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1mum h ASP 66 CO 0.01 0.86 -0.37 0.58 -1.72 0.00 0.00 179.24 178.61 1mum h VAL 67 N 0.98 1.40 -0.72 -1.35 2.07 -1.07 -3.18 116.25 114.37 1mum h VAL 67 Ca 0.22 -1.73 0.06 0.00 0.82 0.00 0.00 66.70 66.07 1mum h VAL 67 Cb 0.25 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1mum h VAL 67 CO -0.01 0.51 0.42 -0.07 0.02 0.00 0.00 177.57 178.44 1mum h LEU 68 N -0.05 0.64 -0.63 2.57 3.38 -0.58 -0.54 115.31 120.10 1mum h LEU 68 Ca -0.02 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1mum h LEU 68 Cb 1.01 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 1mum h LEU 68 CO 0.08 0.42 0.28 0.74 0.09 0.00 0.00 178.44 180.04 1mum h THR 69 N 0.78 0.82 -0.21 0.22 2.02 -1.30 0.71 112.91 115.95 1mum h THR 69 Ca 0.32 -0.17 -0.12 0.00 0.77 0.00 0.00 66.41 67.21 1mum h THR 69 Cb 0.17 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1mum h THR 69 CO -0.17 0.09 -0.40 0.44 0.37 0.00 0.00 175.52 175.84 1mum h ASP 70 N 0.49 0.50 -0.07 4.18 5.19 -1.34 -1.73 116.42 123.64 1mum h ASP 70 Ca 0.31 -0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1mum h ASP 70 Cb 0.35 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 1mum h ASP 70 CO -0.28 0.85 0.03 0.40 -3.12 0.00 0.00 179.24 177.13 1mum h ILE 71 N 0.40 1.11 -0.55 0.35 2.04 0.06 -2.00 117.51 118.91 1mum h ILE 71 Ca 0.04 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1mum h ILE 71 Cb 0.87 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1mum h ILE 71 CO 0.07 0.09 0.30 0.03 0.00 0.00 0.00 178.15 178.64 1mum h ARG 72 N -0.01 0.78 -0.41 2.37 3.08 -0.82 -0.90 114.38 118.48 1mum h ARG 72 Ca 0.02 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1mum h ARG 72 Cb 0.11 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1mum h ARG 72 CO -0.00 0.60 0.23 0.00 -1.07 0.00 0.00 179.97 179.73 1mum h ARG 73 N 0.75 0.45 0.03 0.04 3.08 -1.20 0.08 114.38 117.60 1mum h ARG 73 Ca 0.19 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1mum h ARG 73 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1mum h ARG 73 CO -0.03 0.30 -0.01 0.82 -1.07 0.00 0.00 179.97 179.98 1mum h ILE 74 N 0.47 1.32 0.00 2.04 2.04 -1.23 -3.28 117.51 118.86 1mum h ILE 74 Ca 0.16 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1mum h ILE 74 Cb 0.03 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1mum h ILE 74 CO -0.09 0.28 0.00 0.71 0.00 0.00 0.00 178.15 179.06 1mum h THR 75 N -0.53 0.00 -0.04 -0.27 1.35 -1.14 0.07 112.91 112.35 1mum h THR 75 Ca -0.00 -0.42 -0.11 0.00 -0.55 0.00 0.00 66.41 65.33 1mum h THR 75 Cb 0.49 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1mum h THR 75 CO 0.01 0.00 -0.49 0.44 -0.25 0.00 0.00 175.52 175.23 1mum h ASP 76 N 0.00 0.11 0.00 5.36 3.32 -1.03 -3.35 116.42 120.82 1mum h ASP 76 Ca 0.00 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1mum h ASP 76 Cb 0.55 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1mum h ASP 76 CO 0.00 0.58 -1.48 0.55 -1.72 0.00 0.00 179.24 177.18 1mum n VAL 77 N -3.96 0.24 -4.47 -1.35 3.14 -1.09 -4.99 118.33 105.85 1mum n VAL 77 Ca -0.02 -0.27 -0.34 0.00 -2.96 0.00 0.00 64.34 60.76 1mum n VAL 77 Cb 0.52 -0.15 -0.13 0.00 -1.06 0.00 0.00 33.84 33.01 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 3.69 0.23 -4.77 0.00 3.41 -1.26 -4.40 113.62 110.52 1mum n SER 79 Ca -0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.04 1mum n SER 79 Cb 0.52 -0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 -2.83 4.20 0.21 1.04 1.43 -1.26 -4.93 118.68 116.53 1mum s LEU 80 Ca 0.18 2.70 -0.31 0.00 -1.03 0.00 0.00 54.13 55.68 1mum s LEU 80 Cb 0.19 -3.90 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 1mum s LEU 80 CO 0.55 -0.90 1.49 -2.16 0.23 0.00 0.00 176.35 175.56 1mum s PRO 81 N -2.27 4.25 -0.22 1.29 0.04 -1.26 -4.80 135.00 132.02 1mum s PRO 81 Ca 0.57 2.32 -0.05 0.00 0.04 0.00 0.00 61.00 63.89 1mum s PRO 81 Cb -0.39 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 1mum s PRO 81 CO 0.50 -0.50 -0.01 -1.17 0.04 0.00 0.00 177.00 175.86 1mum s LEU 82 N 0.28 3.09 -0.06 -3.56 2.96 -1.26 -1.58 118.68 118.54 1mum s LEU 82 Ca 0.64 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 54.05 1mum s LEU 82 Cb -0.42 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 1mum s LEU 82 CO 0.38 -0.00 0.52 -0.22 -1.32 0.00 0.00 176.35 175.71 1mum s LEU 83 N 1.40 4.35 -0.05 -0.68 2.96 -0.51 -0.67 118.68 125.48 1mum s LEU 83 Ca 0.05 0.97 0.05 0.00 -0.22 0.00 0.00 54.13 54.97 1mum s LEU 83 Cb -0.15 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 1mum s LEU 83 CO -0.00 0.07 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.21 1mum s VAL 84 N 0.15 2.57 -0.43 1.68 1.01 0.11 -1.15 120.40 124.34 1mum s VAL 84 Ca 0.28 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1mum s VAL 84 Cb -0.16 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.26 1mum s VAL 84 CO 0.13 0.58 1.25 -0.62 0.00 0.00 0.00 175.10 176.44 1mum s ASP 85 N -0.44 6.55 -0.03 3.32 -1.08 -0.79 -1.38 116.67 122.81 1mum s ASP 85 Ca 0.05 0.71 0.17 0.00 -0.52 0.00 0.00 52.55 52.96 1mum s ASP 85 Cb -0.12 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.34 1mum s ASP 85 CO 0.01 -1.28 1.46 0.00 0.52 0.00 0.00 175.17 175.88 1mum n ALA 86 N 8.12 2.48 -0.40 3.66 0.00 -0.59 -4.53 120.51 129.26 1mum n ALA 86 Ca 0.14 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1mum n ALA 86 Cb 0.48 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 1.04 0.00 -1.08 0.00 8.00 -1.24 -1.04 116.55 122.22 1mum n ASP 87 Ca 0.20 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.78 1mum n ASP 87 Cb 0.63 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 42.01 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 2.27 -0.07 0.53 -5.35 -1.26 -0.60 119.36 114.88 1mum n ILE 88 Ca 0.00 -1.71 0.00 0.00 -0.27 0.00 0.00 62.75 60.77 1mum n ILE 88 Cb 0.00 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 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 -0.17 0.70 3.40 3.28 0.00 -0.21 -4.67 105.19 107.51 1mum n GLY 89 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.03 -2.64 0.00 1.61 3.72 -1.26 -3.84 117.46 113.02 1mum n PHE 90 Ca 0.00 1.06 0.00 0.00 -0.05 0.00 0.00 57.45 58.46 1mum n PHE 90 Cb 0.00 -3.17 0.00 0.00 -0.94 0.00 0.00 39.48 35.37 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 -1.23 4.06 0.13 1.37 0.00 -1.26 -4.67 105.19 103.59 1mum n GLY 91 Ca -0.12 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.59 1mum n GLY 91 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mum h SER 92 N 0.00 0.00 -3.92 1.61 4.64 -1.91 -3.42 113.55 110.55 1mum h SER 92 Ca 0.00 -0.05 -0.49 0.00 -0.47 0.00 0.00 61.79 60.78 1mum h SER 92 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1mum h SER 92 CO 0.00 0.03 0.23 -0.55 -0.87 0.00 0.00 176.83 175.67 1mum s SER 93 N -5.20 6.50 0.47 4.97 0.15 -1.26 -4.95 113.70 114.39 1mum s SER 93 Ca 0.05 1.29 0.21 0.00 0.70 0.00 0.00 55.95 58.20 1mum s SER 93 Cb 0.10 -2.39 1.19 0.00 -1.71 0.00 0.00 66.02 63.21 1mum s SER 93 CO 0.70 -0.53 2.00 0.00 1.20 0.00 0.00 173.24 176.62 1mum h ALA 94 N 0.89 1.39 -0.17 5.45 0.00 -1.96 -1.09 119.26 123.77 1mum h ALA 94 Ca -0.47 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 1mum h ALA 94 Cb 1.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1mum h ALA 94 CO 0.63 0.23 -0.42 0.74 0.00 0.00 0.00 179.25 180.42 1mum h PHE 95 N 0.00 0.47 -0.13 0.00 0.04 -1.97 -0.99 116.94 114.37 1mum h PHE 95 Ca -0.00 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.58 1mum h PHE 95 Cb 0.40 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 1mum h PHE 95 CO 0.00 0.76 -0.12 -0.91 -0.60 0.00 0.00 178.31 177.44 1mum h ASN 96 N 0.33 0.32 -0.89 2.17 -0.26 -1.55 -1.63 115.58 114.07 1mum h ASN 96 Ca 0.03 -0.48 0.01 0.00 -0.56 0.00 0.00 56.30 55.30 1mum h ASN 96 Cb 0.88 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 38.01 1mum h ASN 96 CO 0.07 0.73 0.58 0.58 -1.06 0.00 0.00 177.43 178.33 1mum h VAL 97 N -0.08 1.23 -0.28 2.81 2.07 -1.24 -1.51 116.25 119.26 1mum h VAL 97 Ca 0.02 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1mum h VAL 97 Cb 0.64 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1mum h VAL 97 CO 0.03 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1mum h ALA 98 N 1.32 0.37 -0.49 1.67 0.00 -1.14 -1.87 119.26 119.12 1mum h ALA 98 Ca 0.32 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1mum h ALA 98 Cb -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1mum h ALA 98 CO -0.07 0.11 0.14 -0.09 0.00 0.00 0.00 179.25 179.34 1mum h ARG 99 N 0.27 0.72 -0.12 0.00 2.43 -1.05 -1.05 114.38 115.58 1mum h ARG 99 Ca 0.08 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1mum h ARG 99 Cb 0.42 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1mum h ARG 99 CO 0.01 0.64 0.06 1.15 -1.51 0.00 0.00 179.97 180.32 1mum h THR 100 N 0.71 1.10 0.46 0.20 2.02 -1.09 0.18 112.91 116.49 1mum h THR 100 Ca 0.16 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1mum h THR 100 Cb 0.23 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1mum h THR 100 CO -0.01 0.09 -0.22 0.58 0.37 0.00 0.00 175.52 176.33 1mum h VAL 101 N 0.09 0.55 -0.92 3.16 2.07 -0.93 -0.76 116.25 119.51 1mum h VAL 101 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1mum h VAL 101 Cb 0.09 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1mum h VAL 101 CO -0.01 0.00 0.58 0.11 0.02 0.00 0.00 177.57 178.28 1mum h LYS 102 N -0.61 1.23 -0.52 1.57 1.57 -1.16 -1.56 116.57 117.08 1mum h LYS 102 Ca -0.06 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1mum h LYS 102 Cb 0.47 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1mum h LYS 102 CO 0.10 0.84 -0.15 0.77 -0.57 0.00 0.00 179.45 180.44 1mum h SER 103 N 1.26 1.03 -0.12 0.86 0.02 -0.83 -1.45 113.55 114.32 1mum h SER 103 Ca 0.33 -0.37 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 1mum h SER 103 Cb -0.10 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 1mum h SER 103 CO -0.07 1.16 -0.31 0.24 -1.14 0.00 0.00 176.83 176.72 1mum h MET 104 N 0.89 0.60 -0.25 3.45 2.86 -0.79 0.64 114.93 122.33 1mum h MET 104 Ca 0.13 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1mum h MET 104 Cb 0.72 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1mum h MET 104 CO 0.06 0.84 0.05 0.82 1.06 0.00 0.00 176.91 179.74 1mum h ILE 105 N 0.52 1.22 -0.09 -1.22 2.04 -1.18 -1.72 117.51 117.07 1mum h ILE 105 Ca 0.06 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1mum h ILE 105 Cb 0.79 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1mum h ILE 105 CO 0.06 0.23 -0.13 0.50 0.00 0.00 0.00 178.15 178.81 1mum h LYS 106 N 0.23 0.14 0.00 2.37 3.64 -1.02 -1.13 116.57 120.80 1mum h LYS 106 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1mum h LYS 106 Cb 0.30 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1mum h LYS 106 CO 0.00 0.28 0.00 0.00 -2.27 0.00 0.00 179.45 177.47 1mum n ALA 107 N -2.50 1.89 0.00 5.00 0.00 0.20 -4.89 120.51 120.21 1mum n ALA 107 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1mum n ALA 107 Cb 0.24 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1mum n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mum n GLY 108 N 0.49 1.02 3.78 0.00 0.00 -0.43 -3.97 105.19 106.08 1mum n GLY 108 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 2.70 -0.15 4.61 0.00 -0.68 -4.74 121.76 121.50 1mum s ALA 109 Ca 0.00 0.72 0.19 0.00 0.00 0.00 0.00 51.96 52.87 1mum s ALA 109 Cb 0.00 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.65 1mum s ALA 109 CO 0.00 -0.76 0.76 0.00 0.00 0.00 0.00 175.76 175.76 1mum n ALA 110 N -1.44 2.20 -3.77 0.00 0.00 0.15 -4.60 120.51 113.06 1mum n ALA 110 Ca 0.11 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 53.05 1mum n ALA 110 Cb 0.51 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -4.69 -0.30 0.12 0.00 0.00 -1.16 -2.01 107.32 99.27 1mum s GLY 111 Ca -0.04 0.44 -0.14 0.00 0.00 0.00 0.00 44.72 44.99 1mum s GLY 111 CO 0.82 2.42 0.34 0.48 0.00 0.00 0.00 173.10 177.16 1mum s LEU 112 N -3.33 0.72 -0.02 0.66 0.05 -0.50 0.05 118.68 116.31 1mum s LEU 112 Ca 0.21 -0.44 0.08 0.00 0.05 0.00 0.00 54.13 54.02 1mum s LEU 112 Cb 0.03 1.58 -0.02 0.00 -2.05 0.00 0.00 46.19 45.73 1mum s LEU 112 CO -0.03 -0.82 -0.24 -1.38 -0.55 0.00 0.00 176.35 173.33 1mum s HIS 113 N -3.83 2.19 -0.04 3.48 -3.43 -0.48 -0.94 115.29 112.24 1mum s HIS 113 Ca 0.04 -0.41 0.06 0.00 -0.80 0.00 0.00 55.06 53.94 1mum s HIS 113 Cb 0.03 -1.41 -0.01 0.00 -1.43 0.00 0.00 32.58 29.76 1mum s HIS 113 CO -0.11 -0.04 -0.22 -1.50 -2.00 0.00 0.00 174.74 170.87 1mum s ILE 114 N -0.57 1.78 0.42 -5.38 2.07 -0.53 -1.54 121.20 117.44 1mum s ILE 114 Ca 0.09 -0.92 0.07 0.00 -1.41 0.00 0.00 60.65 58.49 1mum s ILE 114 Cb -0.09 -1.50 -0.03 0.00 0.13 0.00 0.00 42.46 40.97 1mum s ILE 114 CO -0.01 0.50 0.31 -1.83 -1.91 0.00 0.00 174.94 172.01 1mum s GLU 115 N -0.18 2.42 -0.14 3.50 -1.05 0.23 -0.90 118.70 122.57 1mum s GLU 115 Ca -0.01 -1.66 0.10 0.00 -0.15 0.00 0.00 54.97 53.25 1mum s GLU 115 Cb -0.12 -2.23 0.53 0.00 -0.44 0.00 0.00 34.13 31.87 1mum s GLU 115 CO 0.02 -0.19 1.33 -0.40 0.95 0.00 0.00 175.26 176.98 1mum n ASP 116 N -1.46 3.97 -4.78 0.83 5.68 -1.03 -4.66 116.55 115.11 1mum n ASP 116 Ca 0.02 -2.55 -0.33 0.00 -0.50 0.00 0.00 54.79 51.44 1mum n ASP 116 Cb 0.63 -0.59 0.04 0.00 -1.14 0.00 0.00 41.12 40.06 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 -2.07 2.85 -0.00 0.11 -0.21 -1.26 -0.44 119.66 118.64 1mum s GLN 117 Ca 0.36 1.31 -0.03 0.00 0.02 0.00 0.00 55.36 57.02 1mum s GLN 117 Cb 0.26 -1.96 -0.28 0.00 1.00 0.00 0.00 33.01 32.03 1mum s GLN 117 CO 0.12 -1.20 0.84 0.28 -2.12 0.00 0.00 175.29 173.21 1mum h VAL 118 N -0.05 1.14 0.00 1.09 2.07 -1.56 -3.41 116.25 115.53 1mum h VAL 118 Ca -0.46 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.28 1mum h VAL 118 Cb 1.24 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 1mum h VAL 118 CO 0.55 0.82 0.00 0.61 0.02 0.00 0.00 177.57 179.56 1mum n GLY 119 N 1.68 -0.62 3.68 2.17 0.00 -1.26 -4.73 105.19 106.11 1mum n GLY 119 Ca -0.17 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 1mum n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mum s ALA 120 N -1.01 3.48 -0.45 4.61 0.00 -1.26 -4.89 121.76 122.24 1mum s ALA 120 Ca 0.00 -0.12 0.21 0.00 0.00 0.00 0.00 51.96 52.04 1mum s ALA 120 Cb 0.00 -2.96 -0.28 0.00 0.00 0.00 0.00 23.12 19.88 1mum s ALA 120 CO 0.00 -0.39 0.64 1.17 0.00 0.00 0.00 175.76 177.18 1mum n LYS 121 N 4.59 0.48 -3.88 0.00 3.00 -1.26 -4.97 118.16 116.12 1mum n LYS 121 Ca -0.01 -0.11 -0.10 0.00 -0.00 0.00 0.00 58.31 58.09 1mum n LYS 121 Cb 0.50 -1.48 -0.09 0.00 0.00 0.00 0.00 35.03 33.96 1mum n LYS 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1mum s ARG 122 N -3.21 0.61 0.25 1.64 3.52 -1.26 -5.03 118.95 115.47 1mum s ARG 122 Ca -0.01 -0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 54.92 1mum s ARG 122 Cb 0.14 0.25 0.43 0.00 -1.56 0.00 0.00 34.95 34.21 1mum s ARG 122 CO 0.85 -0.16 1.79 0.00 -0.81 0.00 0.00 175.30 176.97 1mum n GLY 124 N -1.32 1.36 3.64 0.00 0.00 -1.26 -4.92 105.19 102.69 1mum n GLY 124 Ca 0.14 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.58 1.57 0.83 1.61 2.46 -0.34 -4.97 115.29 114.86 1mum s HIS 125 Ca 0.30 0.07 -0.10 0.00 0.47 0.00 0.00 55.06 55.79 1mum s HIS 125 Cb 0.17 -4.06 0.10 0.00 -0.13 0.00 0.00 32.58 28.66 1mum s HIS 125 CO 0.17 -4.39 1.11 1.03 -2.47 0.00 0.00 174.74 170.18 1mum s ARG 126 N 4.79 1.72 0.25 2.88 0.52 -1.26 -4.91 118.95 122.94 1mum s ARG 126 Ca 0.84 1.27 -0.31 0.00 -0.52 0.00 0.00 55.73 57.01 1mum s ARG 126 Cb -0.35 -1.83 -0.13 0.00 0.52 0.00 0.00 34.95 33.16 1mum s ARG 126 CO 0.35 -2.05 1.47 -2.30 0.02 0.00 0.00 175.30 172.79 1mum n PRO 127 N -3.81 2.22 -4.01 3.54 -0.02 -1.26 -4.96 135.00 126.70 1mum n PRO 127 Ca 0.10 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.27 1mum n PRO 127 Cb 0.53 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 1mum n PRO 127 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1mum s ASN 128 N 0.38 -0.01 -0.04 2.55 2.20 -1.26 -5.04 114.94 113.71 1mum s ASN 128 Ca 0.68 -0.98 0.12 0.00 -0.94 0.00 0.00 52.86 51.74 1mum s ASN 128 Cb -0.61 0.50 0.36 0.00 -2.00 0.00 0.00 41.25 39.50 1mum s ASN 128 CO 0.49 -1.01 1.29 0.29 -2.94 0.00 0.00 177.10 175.22 1mum n LYS 129 N -0.31 2.90 -1.55 3.55 5.02 -1.26 -4.86 118.16 121.65 1mum n LYS 129 Ca -0.03 -2.24 -0.36 0.00 -2.02 0.00 0.00 58.31 53.66 1mum n LYS 129 Cb 0.63 -1.41 0.08 0.00 -0.02 0.00 0.00 35.03 34.31 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 0.25 0.70 -2.52 7.82 0.00 -1.26 -4.89 120.51 120.61 1mum n ALA 130 Ca 0.14 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 1mum n ALA 130 Cb 0.54 -2.28 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.60 1.43 0.87 0.00 -4.36 -1.26 -1.48 121.20 114.80 1mum s ILE 131 Ca 0.80 -1.69 -0.13 0.00 -0.26 0.00 0.00 60.65 59.37 1mum s ILE 131 Cb -0.36 -1.54 0.12 0.00 1.25 0.00 0.00 42.46 41.93 1mum s ILE 131 CO 0.44 -0.34 1.17 0.68 0.24 0.00 0.00 174.94 177.14 1mum s VAL 132 N -1.92 1.99 0.87 8.37 -7.23 0.42 -4.76 120.40 118.15 1mum s VAL 132 Ca 0.09 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.15 1mum s VAL 132 Cb -0.06 -2.89 0.12 0.00 0.56 0.00 0.00 36.38 34.10 1mum s VAL 132 CO 0.04 0.00 1.11 -0.94 -0.31 0.00 0.00 175.10 174.99 1mum s SER 133 N -4.38 3.54 0.20 4.85 1.04 -1.26 -4.82 113.70 112.88 1mum s SER 133 Ca 0.64 1.87 -0.10 0.00 0.48 0.00 0.00 55.95 58.84 1mum s SER 133 Cb -0.12 -2.46 0.21 0.00 0.10 0.00 0.00 66.02 63.75 1mum s SER 133 CO 0.51 -2.66 1.80 0.50 0.98 0.00 0.00 173.24 174.38 1mum h LYS 134 N -1.56 0.63 -0.63 4.02 3.64 -1.99 -2.15 116.57 118.54 1mum h LYS 134 Ca -0.46 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1mum h LYS 134 Cb 1.26 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 1mum h LYS 134 CO 0.48 0.42 0.39 0.93 -2.27 0.00 0.00 179.45 179.40 1mum h GLU 135 N 0.65 0.75 -0.54 1.90 3.07 -1.99 -1.05 114.58 117.37 1mum h GLU 135 Ca 0.28 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 1mum h GLU 135 Cb 0.17 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1mum h GLU 135 CO -0.17 0.50 0.22 1.49 -1.40 0.00 0.00 179.01 179.64 1mum h GLU 136 N 0.77 0.80 -0.48 2.33 4.57 -1.79 -2.24 114.58 118.55 1mum h GLU 136 Ca 0.25 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 1mum h GLU 136 Cb -0.00 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1mum h GLU 136 CO -0.09 0.70 -0.03 1.98 -1.18 0.00 0.00 179.01 180.39 1mum h MET 137 N 0.73 0.82 -0.97 1.92 4.05 -1.08 -1.47 114.93 118.92 1mum h MET 137 Ca 0.18 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1mum h MET 137 Cb 0.19 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.86 1mum h MET 137 CO -0.02 0.84 0.62 0.28 0.23 0.00 0.00 176.91 178.87 1mum h VAL 138 N 0.75 1.26 -0.64 -5.77 2.07 -0.92 0.89 116.25 113.89 1mum h VAL 138 Ca 0.14 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 1mum h VAL 138 Cb 0.50 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1mum h VAL 138 CO 0.02 0.25 0.05 0.44 0.02 0.00 0.00 177.57 178.36 1mum h ASP 139 N 1.33 1.06 -0.28 0.57 3.32 -0.90 0.10 116.42 121.62 1mum h ASP 139 Ca 0.35 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1mum h ASP 139 Cb -0.12 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.13 1mum h ASP 139 CO -0.07 1.08 0.18 -0.09 -1.72 0.00 0.00 179.24 178.62 1mum h ARG 140 N 1.01 0.35 -0.49 3.56 2.43 -0.48 -1.25 114.38 119.52 1mum h ARG 140 Ca 0.19 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1mum h ARG 140 Cb 0.51 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1mum h ARG 140 CO 0.02 0.23 0.11 0.82 -1.51 0.00 0.00 179.97 179.64 1mum h ILE 141 N 0.36 1.24 -0.90 1.20 2.04 -0.61 -2.19 117.51 118.66 1mum h ILE 141 Ca 0.11 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.13 1mum h ILE 141 Cb -0.03 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1mum h ILE 141 CO -0.03 0.31 0.58 0.03 0.00 0.00 0.00 178.15 179.04 1mum h ARG 142 N 0.68 1.11 -0.55 2.37 3.08 -0.69 -0.33 114.38 120.06 1mum h ARG 142 Ca 0.15 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1mum h ARG 142 Cb 0.35 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1mum h ARG 142 CO 0.00 0.74 0.14 0.00 -1.07 0.00 0.00 179.97 179.78 1mum h ALA 143 N 1.36 0.72 -0.29 0.04 0.00 -1.04 -1.71 119.26 118.34 1mum h ALA 143 Ca 0.35 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1mum h ALA 143 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1mum h ALA 143 CO -0.11 0.42 0.02 0.00 0.00 0.00 0.00 179.25 179.57 1mum h ALA 144 N 1.02 0.39 -0.51 0.00 0.00 -0.80 -2.43 119.26 116.93 1mum h ALA 144 Ca 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1mum h ALA 144 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1mum h ALA 144 CO 0.00 0.12 0.08 0.28 0.00 0.00 0.00 179.25 179.73 1mum h VAL 145 N 0.31 1.25 0.00 0.00 2.07 -1.05 -2.77 116.25 116.07 1mum h VAL 145 Ca 0.09 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1mum h VAL 145 Cb 0.40 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1mum h VAL 145 CO 0.01 0.34 -0.10 -0.78 0.02 0.00 0.00 177.57 177.06 1mum h ASP 146 N 0.73 0.00 1.10 0.57 3.58 -1.27 -2.44 116.42 118.69 1mum h ASP 146 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1mum h ASP 146 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1mum h ASP 146 CO 0.01 0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.47 1mum n ALA 147 N -2.48 2.27 -1.68 -0.78 0.00 -0.92 -4.88 120.51 112.04 1mum n ALA 147 Ca -0.03 -0.07 -0.49 0.00 0.00 0.00 0.00 53.44 52.85 1mum n ALA 147 Cb 0.18 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.73 1.97 0.01 0.00 5.02 -0.92 -4.50 118.16 118.00 1mum n LYS 148 Ca 0.06 0.72 0.11 0.00 -2.02 0.00 0.00 58.31 57.18 1mum n LYS 148 Cb 0.35 -2.51 -0.11 0.00 -0.02 0.00 0.00 35.03 32.74 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 4.41 0.08 -4.02 -0.18 -2.24 -1.26 -4.74 114.28 106.33 1mum n THR 149 Ca 0.21 -0.35 -0.31 0.00 -2.27 0.00 0.00 64.05 61.33 1mum n THR 149 Cb 0.26 0.23 -0.15 0.00 -2.10 0.00 0.00 70.33 68.57 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 -4.14 4.01 0.58 3.42 -1.08 -1.26 -5.01 116.67 113.19 1mum s ASP 150 Ca -0.02 -1.20 0.29 0.00 -0.52 0.00 0.00 52.55 51.09 1mum s ASP 150 Cb 0.14 -1.37 1.49 0.00 -1.46 0.00 0.00 42.92 41.72 1mum s ASP 150 CO 0.87 -0.19 1.92 1.55 0.52 0.00 0.00 175.17 179.84 1mum h PRO 151 N 7.87 0.00 -0.00 4.34 0.13 -2.01 0.07 132.00 142.40 1mum h PRO 151 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1mum h PRO 151 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1mum h PRO 151 CO 0.45 0.00 -0.27 -0.25 -0.23 0.00 0.00 178.00 177.70 1mum n ASP 152 N -3.78 0.60 -4.76 1.44 8.00 -1.26 -4.86 116.55 111.93 1mum n ASP 152 Ca 0.08 -0.45 -0.39 0.00 0.71 0.00 0.00 54.79 54.74 1mum n ASP 152 Cb 0.65 0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.82 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 -2.71 2.59 -0.22 1.24 5.36 0.01 -3.95 117.98 120.29 1mum s PHE 153 Ca 0.20 1.35 -0.10 0.00 -0.96 0.00 0.00 56.93 57.42 1mum s PHE 153 Cb 0.19 -3.78 -0.05 0.00 -0.34 0.00 0.00 43.02 39.04 1mum s PHE 153 CO 0.57 -2.54 0.13 0.08 -1.46 0.00 0.00 175.22 172.00 1mum s VAL 154 N -1.26 5.20 -0.42 3.12 1.01 -0.85 -4.99 120.40 122.21 1mum s VAL 154 Ca 0.61 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 1mum s VAL 154 Cb -0.40 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 32.64 1mum s VAL 154 CO 0.51 0.38 0.28 -0.63 0.00 0.00 0.00 175.10 175.64 1mum s ILE 155 N 0.87 4.45 -0.17 2.22 -1.09 -1.26 -1.41 121.20 124.81 1mum s ILE 155 Ca 0.07 -1.27 -0.07 0.00 -2.23 0.00 0.00 60.65 57.14 1mum s ILE 155 Cb -0.13 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1mum s ILE 155 CO 0.03 -0.49 0.08 -0.32 -1.23 0.00 0.00 174.94 173.01 1mum s MET 156 N 1.48 3.83 -0.13 2.79 -2.45 -0.11 -0.89 119.30 123.82 1mum s MET 156 Ca 0.03 -0.29 -0.08 0.00 -1.25 0.00 0.00 55.69 54.10 1mum s MET 156 Cb -0.23 -3.21 -0.04 0.00 1.25 0.00 0.00 34.83 32.60 1mum s MET 156 CO 0.03 0.41 0.15 0.00 1.05 0.00 0.00 175.02 176.66 1mum s ALA 157 N 0.00 3.83 -0.05 4.11 0.00 -0.54 -1.45 121.76 127.66 1mum s ALA 157 Ca 0.07 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1mum s ALA 157 Cb -0.12 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 1mum s ALA 157 CO 0.00 0.52 -0.23 0.50 0.00 0.00 0.00 175.76 176.56 1mum s ARG 158 N -0.74 2.45 -0.08 0.00 3.52 -0.08 -0.61 118.95 123.41 1mum s ARG 158 Ca 0.14 -0.86 0.04 0.00 -0.13 0.00 0.00 55.73 54.92 1mum s ARG 158 Cb -0.12 -2.19 -0.00 0.00 -1.56 0.00 0.00 34.95 31.08 1mum s ARG 158 CO 0.03 0.47 -0.22 -0.08 -0.81 0.00 0.00 175.30 174.69 1mum s THR 159 N -0.37 1.87 -0.30 4.11 -1.32 -0.46 -2.46 115.64 116.71 1mum s THR 159 Ca 0.03 -0.93 0.10 0.00 -1.21 0.00 0.00 61.69 59.68 1mum s THR 159 Cb -0.12 -1.62 0.57 0.00 -1.51 0.00 0.00 72.50 69.82 1mum s THR 159 CO 0.02 0.52 1.58 0.47 -2.21 0.00 0.00 174.62 175.00 1mum n ASP 160 N 3.42 3.36 0.21 8.08 10.43 -1.26 -1.40 116.55 139.39 1mum n ASP 160 Ca -0.19 -3.49 0.08 0.00 2.57 0.00 0.00 54.79 53.76 1mum n ASP 160 Cb 0.53 -0.66 0.40 0.00 1.84 0.00 0.00 41.12 43.22 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 1.44 1.00 -0.36 2.24 0.00 -1.94 -3.33 119.26 118.30 1mum h ALA 161 Ca 0.24 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1mum h ALA 161 Cb 1.90 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.58 1mum h ALA 161 CO 0.52 0.35 -0.12 1.25 0.00 0.00 0.00 179.25 181.24 1mum h LEU 162 N 0.00 -0.44 -1.91 0.00 5.85 -1.83 0.35 115.31 117.33 1mum h LEU 162 Ca -0.00 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1mum h LEU 162 Cb 0.83 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1mum h LEU 162 CO 0.04 -0.16 -0.12 0.00 -0.34 0.00 0.00 178.44 177.86 1mum h ALA 163 N 1.29 1.56 -0.00 1.25 0.00 -1.89 -1.47 119.26 119.99 1mum h ALA 163 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1mum h ALA 163 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1mum h ALA 163 CO -0.40 0.14 -0.17 1.33 0.00 0.00 0.00 179.25 180.15 1mum n VAL 164 N -4.04 0.00 0.00 0.00 0.24 -0.89 -4.77 118.33 108.87 1mum n VAL 164 Ca -0.02 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1mum n VAL 164 Cb 0.20 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.70 1.41 0.00 7.34 1.02 0.12 -5.11 120.64 124.72 1mum n GLU 165 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1mum n GLU 165 Cb 0.10 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 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 0.19 -0.26 0.41 0.62 0.00 -0.55 -4.41 105.19 101.20 1mum n GLY 166 Ca 0.00 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.96 -0.95 0.99 5.85 -1.89 -2.44 115.31 115.92 1mum h LEU 167 Ca 0.00 0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.95 1mum h LEU 167 Cb 0.00 0.29 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 1mum h LEU 167 CO 0.00 -0.58 0.55 0.44 -0.34 0.00 0.00 178.44 178.51 1mum h ASP 168 N -0.92 0.70 -0.52 1.25 3.45 -1.99 0.13 116.42 118.52 1mum h ASP 168 Ca -0.07 0.09 -0.12 0.00 0.43 0.00 0.00 57.03 57.36 1mum h ASP 168 Cb 0.75 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.47 1mum h ASP 168 CO 0.06 0.28 -0.15 0.00 -1.57 0.00 0.00 179.24 177.85 1mum h ALA 169 N 1.60 0.72 -0.77 3.45 0.00 -1.75 -1.50 119.26 121.01 1mum h ALA 169 Ca 0.53 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1mum h ALA 169 Cb 0.76 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1mum h ALA 169 CO -0.36 0.67 0.33 0.00 0.00 0.00 0.00 179.25 179.88 1mum h ALA 170 N 0.90 0.99 -0.38 0.00 0.00 -0.58 -0.93 119.26 119.27 1mum h ALA 170 Ca 0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1mum h ALA 170 Cb 0.73 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1mum h ALA 170 CO 0.06 0.60 -0.06 0.82 0.00 0.00 0.00 179.25 180.67 1mum h ILE 171 N 1.10 1.27 -0.59 0.00 2.04 -0.90 -0.86 117.51 119.57 1mum h ILE 171 Ca 0.26 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 65.03 1mum h ILE 171 Cb 0.18 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1mum h ILE 171 CO -0.03 0.37 0.38 -0.08 0.00 0.00 0.00 178.15 178.79 1mum h GLU 172 N 0.51 0.73 -0.20 2.37 4.81 -1.01 -1.24 114.58 120.56 1mum h GLU 172 Ca 0.10 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1mum h GLU 172 Cb 0.55 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1mum h GLU 172 CO 0.03 0.49 0.11 0.00 -0.73 0.00 0.00 179.01 178.91 1mum h ARG 173 N 0.76 0.28 -0.60 1.92 3.08 -1.02 -2.44 114.38 116.36 1mum h ARG 173 Ca 0.22 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.35 1mum h ARG 173 Cb -0.04 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 29.87 1mum h ARG 173 CO -0.07 0.26 0.13 0.00 -1.07 0.00 0.00 179.97 179.23 1mum h ALA 174 N 1.00 0.71 -0.79 0.04 0.00 -0.61 0.18 119.26 119.79 1mum h ALA 174 Ca 0.07 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1mum h ALA 174 Cb 0.06 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1mum h ALA 174 CO -0.01 -0.30 0.42 1.96 0.00 0.00 0.00 179.25 181.31 1mum h GLN 175 N 0.26 1.11 -0.23 0.00 4.20 -1.02 -0.89 115.11 118.54 1mum h GLN 175 Ca 0.31 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.76 1mum h GLN 175 Cb 0.46 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1mum h GLN 175 CO -0.40 0.82 -0.41 0.00 -0.67 0.00 0.00 178.83 178.18 1mum h ALA 176 N 1.35 0.87 -0.47 3.87 0.00 -0.63 -1.18 119.26 123.07 1mum h ALA 176 Ca 0.28 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1mum h ALA 176 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1mum h ALA 176 CO -0.04 0.64 0.03 1.88 0.00 0.00 0.00 179.25 181.75 1mum h TYR 177 N 0.44 0.87 -0.27 0.00 0.05 -0.03 -0.87 116.97 117.15 1mum h TYR 177 Ca 0.04 -0.14 -0.11 0.00 0.05 0.00 0.00 58.73 58.57 1mum h TYR 177 Cb 0.90 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 38.41 1mum h TYR 177 CO 0.03 0.83 -0.25 0.28 -1.05 0.00 0.00 178.16 178.00 1mum h VAL 178 N 0.66 1.31 0.00 -2.88 2.07 -1.10 -1.49 116.25 114.82 1mum h VAL 178 Ca 0.14 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1mum h VAL 178 Cb 0.46 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1mum h VAL 178 CO 0.02 0.45 -0.05 -0.08 0.02 0.00 0.00 177.57 177.93 1mum h GLU 179 N 0.38 0.00 0.00 1.57 4.22 -1.12 0.45 114.58 120.08 1mum h GLU 179 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1mum h GLU 179 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1mum h GLU 179 CO 0.06 0.05 0.00 0.00 -2.18 0.00 0.00 179.01 176.94 1mum h ALA 180 N 1.95 1.00 0.00 2.92 0.00 -0.72 -3.46 119.26 120.94 1mum h ALA 180 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mum h ALA 180 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1mum h ALA 180 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1mum n GLY 181 N 1.06 0.76 3.69 0.00 0.00 0.14 -4.49 105.19 106.36 1mum n GLY 181 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 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 1.95 0.05 4.61 0.00 -0.60 -4.90 120.51 121.63 1mum n ALA 182 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.90 1mum n ALA 182 Cb 0.00 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 16.98 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 3.46 0.62 -3.90 0.00 1.02 -0.07 -4.53 120.64 117.23 1mum n GLU 183 Ca 0.16 0.18 -0.09 0.00 -0.02 0.00 0.00 57.16 57.39 1mum n GLU 183 Cb 0.32 -1.81 -0.08 0.00 -0.02 0.00 0.00 31.44 29.85 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 -3.08 0.75 -0.03 3.49 -1.94 -1.24 -4.33 119.30 112.91 1mum s MET 184 Ca -0.02 -0.92 0.07 0.00 -1.71 0.00 0.00 55.69 53.10 1mum s MET 184 Cb 0.09 0.30 -0.01 0.00 2.01 0.00 0.00 34.83 37.21 1mum s MET 184 CO 0.81 -0.21 -0.23 -1.17 -0.01 0.00 0.00 175.02 174.20 1mum s LEU 185 N -2.65 2.04 -0.40 -0.03 2.96 -0.08 -1.47 118.68 119.05 1mum s LEU 185 Ca 0.02 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1mum s LEU 185 Cb 0.04 -1.25 0.12 0.00 0.50 0.00 0.00 46.19 45.60 1mum s LEU 185 CO -0.09 0.26 0.16 0.12 -1.32 0.00 0.00 176.35 175.48 1mum s PHE 186 N -0.36 2.65 -0.51 5.38 5.99 0.22 -0.60 117.98 130.75 1mum s PHE 186 Ca 0.03 -2.59 -0.26 0.00 0.00 0.00 0.00 56.93 54.11 1mum s PHE 186 Cb -0.11 -2.33 0.03 0.00 0.00 0.00 0.00 43.02 40.61 1mum s PHE 186 CO 0.01 -0.84 1.02 -2.14 -0.00 0.00 0.00 175.22 173.27 1mum s PRO 187 N 0.64 3.50 0.38 10.12 0.02 -1.25 -1.35 135.00 147.06 1mum s PRO 187 Ca 0.14 0.13 -0.25 0.00 0.02 0.00 0.00 61.00 61.04 1mum s PRO 187 Cb -0.22 -3.98 -0.09 0.00 0.02 0.00 0.00 34.50 30.24 1mum s PRO 187 CO -0.08 -1.41 1.08 -2.00 -0.33 0.00 0.00 177.00 174.26 1mum s GLU 188 N 4.17 4.19 -1.49 5.54 -6.30 -0.49 -4.16 118.70 120.16 1mum s GLU 188 Ca 0.38 1.61 -0.09 0.00 -2.50 0.00 0.00 54.97 54.37 1mum s GLU 188 Cb -0.10 -2.65 0.06 0.00 0.00 0.00 0.00 34.13 31.45 1mum s GLU 188 CO 0.25 -0.14 0.81 0.00 0.02 0.00 0.00 175.26 176.21 1mum n ALA 189 N 0.11 -1.56 -1.98 6.30 0.00 -1.26 -4.73 120.51 117.39 1mum n ALA 189 Ca 0.04 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 1mum n ALA 189 Cb 0.48 -3.33 -0.03 0.00 0.00 0.00 0.00 19.45 16.58 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 -3.48 3.16 -0.12 0.00 -1.09 -1.26 -4.67 121.20 113.74 1mum s ILE 190 Ca 0.42 0.97 0.22 0.00 -2.23 0.00 0.00 60.65 60.03 1mum s ILE 190 Cb -0.22 -3.62 -0.24 0.00 -1.58 0.00 0.00 42.46 36.81 1mum s ILE 190 CO 0.85 0.15 0.66 0.35 -1.23 0.00 0.00 174.94 175.72 1mum n THR 191 N 2.46 0.18 -4.48 2.92 -2.24 -1.26 -3.84 114.28 108.01 1mum n THR 191 Ca 0.06 -0.50 -0.20 0.00 -2.27 0.00 0.00 64.05 61.13 1mum n THR 191 Cb 0.43 -0.07 -0.15 0.00 -2.10 0.00 0.00 70.33 68.43 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 -3.46 0.95 0.24 -0.78 2.02 -1.26 -4.63 118.70 111.77 1mum s GLU 192 Ca -0.05 -0.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.49 1mum s GLU 192 Cb 0.13 -0.90 0.39 0.00 0.10 0.00 0.00 34.13 33.84 1mum s GLU 192 CO 0.87 0.22 1.77 1.25 0.02 0.00 0.00 175.26 179.40 1mum h LEU 193 N 5.97 0.48 -2.07 1.80 5.85 -2.00 -0.91 115.31 124.42 1mum h LEU 193 Ca -0.32 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.54 1mum h LEU 193 Cb 1.17 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1mum h LEU 193 CO 0.49 0.25 0.21 0.00 -0.34 0.00 0.00 178.44 179.05 1mum h ALA 194 N 1.47 2.14 -0.71 1.25 0.00 -1.97 -1.74 119.26 119.69 1mum h ALA 194 Ca 0.38 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 1mum h ALA 194 Cb 0.45 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1mum h ALA 194 CO -0.30 -0.35 0.25 0.52 0.00 0.00 0.00 179.25 179.38 1mum h MET 195 N 0.00 1.07 -0.73 0.00 2.86 -1.58 -2.26 114.93 114.28 1mum h MET 195 Ca 0.13 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1mum h MET 195 Cb 0.54 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1mum h MET 195 CO -0.00 0.89 0.46 1.88 1.06 0.00 0.00 176.91 181.20 1mum h TYR 196 N 1.04 0.95 -0.90 -0.22 0.05 -1.39 -1.61 116.97 114.89 1mum h TYR 196 Ca 0.23 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.01 1mum h TYR 196 Cb 0.25 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 1mum h TYR 196 CO 0.02 0.62 0.52 -0.09 -1.05 0.00 0.00 178.16 178.18 1mum h ARG 197 N 1.00 1.25 -0.72 4.88 9.65 -1.38 -0.64 114.38 128.41 1mum h ARG 197 Ca 0.27 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1mum h ARG 197 Cb -0.07 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.22 1mum h ARG 197 CO -0.05 0.89 0.39 1.96 2.80 0.00 0.00 179.97 185.96 1mum h GLN 198 N 1.26 1.02 -0.45 0.20 4.20 -0.81 -0.46 115.11 120.06 1mum h GLN 198 Ca 0.32 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 1mum h GLN 198 Cb -0.01 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1mum h GLN 198 CO -0.06 0.77 -0.02 0.74 -0.67 0.00 0.00 178.83 179.59 1mum h PHE 199 N 1.00 0.89 -0.12 2.96 -1.00 -0.84 -1.97 116.94 117.86 1mum h PHE 199 Ca 0.25 -0.16 0.03 0.00 2.81 0.00 0.00 57.97 60.90 1mum h PHE 199 Cb 0.05 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 1mum h PHE 199 CO -0.00 0.87 -0.05 0.00 -1.61 0.00 0.00 178.31 177.52 1mum h ALA 200 N 0.90 0.06 0.00 2.45 0.00 -0.65 -1.44 119.26 120.58 1mum h ALA 200 Ca 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1mum h ALA 200 Cb 0.53 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1mum h ALA 200 CO 0.03 -0.50 -0.15 -0.44 0.00 0.00 0.00 179.25 178.18 1mum h ASP 201 N -0.03 0.00 0.81 0.00 3.32 -1.05 -2.62 116.42 116.85 1mum h ASP 201 Ca 0.06 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.87 1mum h ASP 201 Cb 0.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1mum h ASP 201 CO -0.14 0.15 -1.20 0.00 -1.72 0.00 0.00 179.24 176.33 1mum h ALA 202 N 1.85 0.38 0.00 3.45 0.00 -0.54 -3.40 119.26 121.00 1mum h ALA 202 Ca -0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 54.91 53.84 1mum h ALA 202 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1mum h ALA 202 CO 0.02 1.26 -1.62 1.33 0.00 0.00 0.00 179.25 180.24 1mum n VAL 203 N -3.33 0.18 -1.61 0.00 0.24 -0.62 -4.85 118.33 108.33 1mum n VAL 203 Ca -0.06 -0.33 -0.16 0.00 -2.04 0.00 0.00 64.34 61.75 1mum n VAL 203 Cb 0.98 0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.31 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 -2.05 -1.15 -4.26 7.34 7.27 -0.99 -4.99 117.38 118.55 1mum n GLN 204 Ca -0.06 1.02 -0.17 0.00 0.07 0.00 0.00 57.00 57.86 1mum n GLN 204 Cb 0.45 -5.24 -0.10 0.00 2.41 0.00 0.00 30.24 27.76 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 -2.63 1.34 0.19 1.69 -7.23 -1.26 -5.10 120.40 107.40 1mum s VAL 205 Ca 0.00 -1.94 -0.32 0.00 -1.81 0.00 0.00 61.98 57.91 1mum s VAL 205 Cb 0.00 -1.74 -0.15 0.00 0.56 0.00 0.00 36.38 35.05 1mum s VAL 205 CO 0.00 -0.58 1.23 -2.65 -0.31 0.00 0.00 175.10 172.80 1mum n PRO 206 N 0.09 1.42 -4.38 4.82 -0.02 -1.26 -4.70 135.00 130.97 1mum n PRO 206 Ca -0.12 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 1mum n PRO 206 Cb 0.59 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.91 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 -0.17 4.11 -0.11 4.25 -1.09 -1.26 -0.90 121.20 126.03 1mum s ILE 207 Ca 0.71 -0.30 -0.02 0.00 -2.23 0.00 0.00 60.65 58.82 1mum s ILE 207 Cb -0.79 -2.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1mum s ILE 207 CO 0.52 0.54 -0.03 -0.22 -1.23 0.00 0.00 174.94 174.52 1mum s LEU 208 N -0.23 3.34 -0.23 2.97 0.20 0.23 -0.94 118.68 124.02 1mum s LEU 208 Ca 0.05 -0.01 -0.03 0.00 0.69 0.00 0.00 54.13 54.83 1mum s LEU 208 Cb -0.13 -1.77 0.00 0.00 -0.43 0.00 0.00 46.19 43.87 1mum s LEU 208 CO 0.02 0.29 -0.05 0.00 -0.29 0.00 0.00 176.35 176.33 1mum s ALA 209 N -0.37 2.77 -0.94 5.97 0.00 -0.33 -3.96 121.76 124.90 1mum s ALA 209 Ca 0.06 -1.27 -0.22 0.00 0.00 0.00 0.00 51.96 50.52 1mum s ALA 209 Cb -0.12 -1.70 0.07 0.00 0.00 0.00 0.00 23.12 21.36 1mum s ALA 209 CO 0.02 -0.57 1.32 1.21 0.00 0.00 0.00 175.76 177.74 1mum s ASN 210 N 1.43 6.46 -1.34 0.00 2.47 -1.26 -0.99 114.94 121.71 1mum s ASN 210 Ca 0.04 -1.43 -0.07 0.00 0.42 0.00 0.00 52.86 51.82 1mum s ASN 210 Cb -0.15 -2.52 0.11 0.00 -1.45 0.00 0.00 41.25 37.25 1mum s ASN 210 CO -0.04 -1.44 2.28 -0.38 -3.72 0.00 0.00 177.10 173.80 1mum n ILE 211 N 6.43 4.85 -2.43 -5.21 2.08 0.11 -4.87 119.36 120.33 1mum n ILE 211 Ca 0.24 -4.16 -0.27 0.00 0.56 0.00 0.00 62.75 59.13 1mum n ILE 211 Cb 0.50 -2.22 0.03 0.00 -0.75 0.00 0.00 39.64 37.19 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 -0.29 3.83 0.27 1.39 -1.32 -1.26 -4.55 115.64 113.71 1mum s THR 212 Ca 0.51 0.03 0.06 0.00 -1.21 0.00 0.00 61.69 61.08 1mum s THR 212 Cb 0.16 -3.51 -0.03 0.00 -1.51 0.00 0.00 72.50 67.61 1mum s THR 212 CO -0.06 -0.52 0.33 -1.83 -2.21 0.00 0.00 174.62 170.33 1mum s GLU 213 N -4.96 3.16 -1.13 7.08 1.03 -1.26 -4.48 118.70 118.15 1mum s GLU 213 Ca 0.53 -0.95 0.00 0.00 0.03 0.00 0.00 54.97 54.58 1mum s GLU 213 Cb -0.10 -2.74 0.00 0.00 -0.80 0.00 0.00 34.13 30.48 1mum s GLU 213 CO 0.45 0.32 0.00 1.19 -1.33 0.00 0.00 175.26 175.89 1mum n PHE 214 N -1.38 -0.09 -3.14 4.83 3.72 -1.26 -5.00 117.46 115.15 1mum n PHE 214 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1mum n PHE 214 Cb 0.58 -2.16 0.00 0.00 -0.94 0.00 0.00 39.48 36.96 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 -1.53 6.93 0.23 1.37 0.00 -1.26 -5.04 105.19 105.89 1mum n GLY 215 Ca -0.11 -2.06 0.12 0.00 0.00 0.00 0.00 46.02 43.97 1mum n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mum h ALA 216 N 0.92 0.97 -2.77 4.61 0.00 -1.92 -3.45 119.26 117.62 1mum h ALA 216 Ca 0.00 -0.10 -0.57 0.00 0.00 0.00 0.00 54.91 54.24 1mum h ALA 216 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1mum h ALA 216 CO 0.00 0.14 0.00 0.99 0.00 0.00 0.00 179.25 180.38 1mum s THR 217 N -3.44 5.08 1.02 0.00 2.01 -1.25 -4.52 115.64 114.55 1mum s THR 217 Ca 0.03 1.27 -0.12 0.00 0.31 0.00 0.00 61.69 63.18 1mum s THR 217 Cb 0.08 -3.96 0.21 0.00 0.01 0.00 0.00 72.50 68.84 1mum s THR 217 CO 0.63 0.29 1.08 -2.84 -0.69 0.00 0.00 174.62 173.09 1mum s PRO 218 N 0.66 0.18 -1.32 4.92 0.02 -1.26 -4.87 135.00 133.34 1mum s PRO 218 Ca 0.33 1.07 -0.12 0.00 0.02 0.00 0.00 61.00 62.30 1mum s PRO 218 Cb -0.17 -1.66 0.13 0.00 0.02 0.00 0.00 34.50 32.81 1mum s PRO 218 CO 0.15 -3.05 1.87 1.28 -0.33 0.00 0.00 177.00 176.93 1mum n LEU 219 N -4.47 6.28 -4.77 -5.54 4.77 -1.26 -4.93 117.00 107.07 1mum n LEU 219 Ca 0.07 -4.41 -0.41 0.00 -0.03 0.00 0.00 56.01 51.23 1mum n LEU 219 Cb 0.54 -1.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.03 1mum n LEU 219 CO 0.54 1.07 1.00 -0.36 -1.33 0.00 0.00 177.39 178.32 1mum s PHE 220 N 1.69 2.95 0.66 -1.77 2.99 -1.26 -5.02 117.98 118.22 1mum s PHE 220 Ca 0.43 1.37 -0.09 0.00 0.00 0.00 0.00 56.93 58.65 1mum s PHE 220 Cb 0.08 -3.74 0.01 0.00 0.00 0.00 0.00 43.02 39.38 1mum s PHE 220 CO -0.01 -2.06 1.02 0.95 -0.00 0.00 0.00 175.22 175.12 1mum s THR 221 N -1.15 3.55 0.38 0.64 -4.23 -1.26 -4.89 115.64 108.68 1mum s THR 221 Ca 0.50 0.29 0.05 0.00 -1.18 0.00 0.00 61.69 61.35 1mum s THR 221 Cb -0.41 -3.47 0.25 0.00 1.34 0.00 0.00 72.50 70.22 1mum s THR 221 CO 0.54 -0.56 2.02 0.71 -0.54 0.00 0.00 174.62 176.79 1mum h THR 222 N -0.47 1.14 -0.45 3.99 1.35 -1.98 -1.42 112.91 115.07 1mum h THR 222 Ca -0.45 -0.31 -0.07 0.00 -0.55 0.00 0.00 66.41 65.03 1mum h THR 222 Cb 1.25 0.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 1mum h THR 222 CO 0.63 0.14 0.01 0.44 -0.25 0.00 0.00 175.52 176.49 1mum h ASP 223 N 0.65 0.78 -0.51 5.36 3.32 -1.99 -0.02 116.42 124.01 1mum h ASP 223 Ca 0.17 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 1mum h ASP 223 Cb -0.02 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1mum h ASP 223 CO -0.03 0.89 0.18 -0.33 -1.72 0.00 0.00 179.24 178.22 1mum h GLU 224 N 0.64 0.78 -0.51 3.56 5.08 -1.79 -1.77 114.58 120.57 1mum h GLU 224 Ca 0.13 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1mum h GLU 224 Cb 0.48 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1mum h GLU 224 CO 0.02 0.71 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.64 1mum h LEU 225 N 0.69 0.86 -0.33 1.33 3.38 -1.14 -2.46 115.31 117.63 1mum h LEU 225 Ca 0.17 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1mum h LEU 225 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1mum h LEU 225 CO -0.01 0.94 0.21 -0.09 0.09 0.00 0.00 178.44 179.58 1mum h ARG 226 N 0.81 0.44 -0.05 1.13 2.43 -0.73 -0.85 114.38 117.55 1mum h ARG 226 Ca 0.15 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1mum h ARG 226 Cb 0.52 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1mum h ARG 226 CO 0.03 0.31 0.05 0.66 -1.51 0.00 0.00 179.97 179.50 1mum h SER 227 N 0.44 0.00 -0.50 -3.80 4.64 -0.98 0.37 113.55 113.71 1mum h SER 227 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1mum h SER 227 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1mum h SER 227 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 1mum n ALA 228 N -2.35 2.42 -1.97 5.18 0.00 -0.58 -4.93 120.51 118.28 1mum n ALA 228 Ca -0.02 -0.91 -0.13 0.00 0.00 0.00 0.00 53.44 52.38 1mum n ALA 228 Cb 0.14 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 1.04 -0.43 -2.55 0.00 -0.00 0.12 -3.03 115.22 110.38 1mum n HIS 229 Ca 0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.48 1mum n HIS 229 Cb 0.45 -2.75 -0.03 0.00 -0.00 0.00 0.00 29.99 27.66 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 -2.61 4.34 0.04 1.59 1.01 -0.43 -4.71 120.40 119.62 1mum s VAL 230 Ca 0.00 1.71 0.03 0.00 0.00 0.00 0.00 61.98 63.72 1mum s VAL 230 Cb 0.00 -4.10 -0.25 0.00 0.00 0.00 0.00 36.38 32.03 1mum s VAL 230 CO 0.00 0.15 0.97 0.00 0.00 0.00 0.00 175.10 176.23 1mum h ALA 231 N 6.60 0.37 -3.71 5.51 0.00 -1.37 -3.33 119.26 123.34 1mum h ALA 231 Ca -0.42 -1.10 -0.32 0.00 0.00 0.00 0.00 54.91 53.08 1mum h ALA 231 Cb 1.22 0.16 -0.26 0.00 0.00 0.00 0.00 17.79 18.91 1mum h ALA 231 CO 0.78 1.24 -0.75 -1.64 0.00 0.00 0.00 179.25 178.88 1mum s MET 232 N -2.64 0.50 -0.26 0.00 1.00 -0.53 -1.21 119.30 116.15 1mum s MET 232 Ca -0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 55.69 55.26 1mum s MET 232 Cb 0.08 -0.42 0.04 0.00 0.00 0.00 0.00 34.83 34.52 1mum s MET 232 CO 0.84 0.11 -0.07 0.00 0.00 0.00 0.00 175.02 175.90 1mum s ALA 233 N -0.50 2.68 -0.16 3.03 0.00 0.12 -1.19 121.76 125.73 1mum s ALA 233 Ca -0.01 -1.58 -0.08 0.00 0.00 0.00 0.00 51.96 50.29 1mum s ALA 233 Cb -0.05 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1mum s ALA 233 CO 0.00 -0.97 0.12 -1.17 0.00 0.00 0.00 175.76 173.74 1mum s LEU 234 N 1.26 4.23 -0.55 0.00 2.96 -0.16 -0.58 118.68 125.84 1mum s LEU 234 Ca -0.03 0.31 0.06 0.00 -0.22 0.00 0.00 54.13 54.25 1mum s LEU 234 Cb -0.18 -2.06 0.21 0.00 0.50 0.00 0.00 46.19 44.65 1mum s LEU 234 CO -0.04 0.28 0.52 -1.22 -1.32 0.00 0.00 176.35 174.57 1mum n TYR 235 N 2.84 1.51 -0.32 5.38 4.02 -0.55 0.09 117.16 130.13 1mum n TYR 235 Ca -0.18 -3.86 0.09 0.00 -0.01 0.00 0.00 57.90 53.94 1mum n TYR 235 Cb 0.53 -0.32 0.25 0.00 -0.02 0.00 0.00 39.34 39.79 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 4.87 0.69 0.00 -0.72 0.13 -1.85 -0.29 132.00 134.84 1mum h PRO 236 Ca 0.18 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1mum h PRO 236 Cb 0.80 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1mum h PRO 236 CO 0.60 0.45 0.00 1.28 -0.23 0.00 0.00 178.00 180.11 1mum n LEU 237 N -4.81 0.78 -0.16 1.56 4.77 -1.26 -4.04 117.00 113.84 1mum n LEU 237 Ca 0.19 -0.78 -0.09 0.00 -0.03 0.00 0.00 56.01 55.30 1mum n LEU 237 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1mum n LEU 237 CO 0.22 0.19 0.59 0.28 -1.33 0.00 0.00 177.39 177.34 1mum h SER 238 N 0.00 -1.37 -0.65 -1.43 0.02 -1.90 -0.27 113.55 107.95 1mum h SER 238 Ca 0.00 0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1mum h SER 238 Cb 0.75 0.62 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 1mum h SER 238 CO 0.00 -0.34 0.21 0.00 -1.14 0.00 0.00 176.83 175.56 1mum h ALA 239 N 0.60 0.84 -0.43 3.77 0.00 -1.86 -2.92 119.26 119.26 1mum h ALA 239 Ca 0.17 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1mum h ALA 239 Cb 0.57 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1mum h ALA 239 CO -0.62 0.51 0.11 0.35 0.00 0.00 0.00 179.25 179.60 1mum h PHE 240 N 0.93 0.18 -0.67 0.00 3.57 -1.68 0.12 116.94 119.40 1mum h PHE 240 Ca 0.21 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1mum h PHE 240 Cb 0.28 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1mum h PHE 240 CO 0.02 0.03 0.42 0.00 -2.23 0.00 0.00 178.31 176.56 1mum h ARG 241 N 0.25 0.81 -0.35 1.11 3.08 -0.90 -0.95 114.38 117.43 1mum h ARG 241 Ca 0.21 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.06 1mum h ARG 241 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1mum h ARG 241 CO -0.26 0.54 -0.39 0.00 -1.07 0.00 0.00 179.97 178.79 1mum h ALA 242 N 1.28 0.64 -0.67 0.04 0.00 -1.26 -2.81 119.26 116.48 1mum h ALA 242 Ca 0.26 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1mum h ALA 242 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1mum h ALA 242 CO -0.09 0.67 0.34 0.00 0.00 0.00 0.00 179.25 180.17 1mum h MET 243 N 0.70 0.94 -0.33 0.00 -0.00 -0.34 -1.88 114.93 114.01 1mum h MET 243 Ca 0.06 -0.11 -0.08 0.00 -0.00 0.00 0.00 59.70 59.56 1mum h MET 243 Cb 0.97 -0.18 -0.01 0.00 -0.00 0.00 0.00 31.60 32.38 1mum h MET 243 CO 0.09 0.71 -0.12 -0.91 -0.00 0.00 0.00 176.91 176.68 1mum h ASN 244 N 0.94 0.67 -0.43 -0.10 -0.26 -1.06 -1.13 115.58 114.21 1mum h ASN 244 Ca 0.23 -0.39 -0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1mum h ASN 244 Cb 0.07 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1mum h ASN 244 CO -0.03 0.91 0.25 -0.09 -1.06 0.00 0.00 177.43 177.41 1mum h ARG 245 N 0.43 0.59 -0.69 0.81 9.65 -1.28 0.86 114.38 124.75 1mum h ARG 245 Ca 0.08 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1mum h ARG 245 Cb 0.64 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 1mum h ARG 245 CO 0.04 0.45 0.38 0.00 2.80 0.00 0.00 179.97 183.64 1mum h ALA 246 N 1.11 0.89 -0.27 2.80 0.00 -1.26 -0.53 119.26 122.00 1mum h ALA 246 Ca 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1mum h ALA 246 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1mum h ALA 246 CO -0.03 0.40 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1mum h ALA 247 N 1.19 0.37 -0.65 0.00 0.00 -0.93 -2.46 119.26 116.78 1mum h ALA 247 Ca 0.24 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1mum h ALA 247 Cb 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1mum h ALA 247 CO -0.04 0.18 0.37 1.49 0.00 0.00 0.00 179.25 181.25 1mum h GLU 248 N 0.28 0.69 -0.77 0.00 4.81 -0.58 -0.76 114.58 118.25 1mum h GLU 248 Ca 0.07 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1mum h GLU 248 Cb 0.53 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1mum h GLU 248 CO 0.03 0.45 0.44 1.25 -0.73 0.00 0.00 179.01 180.45 1mum h HIS 249 N 0.71 1.04 -0.26 0.92 2.76 -1.01 -0.25 115.15 119.05 1mum h HIS 249 Ca 0.28 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 1mum h HIS 249 Cb 0.13 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1mum h HIS 249 CO -0.07 0.72 0.09 0.28 -1.30 0.00 0.00 177.93 177.65 1mum h VAL 250 N 1.06 1.18 -0.52 5.26 2.07 -0.91 -0.84 116.25 123.55 1mum h VAL 250 Ca 0.27 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1mum h VAL 250 Cb 0.01 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1mum h VAL 250 CO -0.05 0.19 0.30 1.88 0.02 0.00 0.00 177.57 179.92 1mum h TYR 251 N 0.27 0.57 0.09 1.57 0.05 -0.83 -0.92 116.97 117.76 1mum h TYR 251 Ca 0.09 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 1mum h TYR 251 Cb 0.21 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1mum h TYR 251 CO -0.00 0.32 -0.04 -0.91 -1.05 0.00 0.00 178.16 176.47 1mum h ASN 252 N 0.60 -0.10 -0.50 3.88 2.35 -0.86 -0.95 115.58 120.00 1mum h ASN 252 Ca 0.21 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1mum h ASN 252 Cb 0.04 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1mum h ASN 252 CO -0.10 0.12 0.31 0.58 -1.65 0.00 0.00 177.43 176.69 1mum h VAL 253 N -0.32 1.09 -0.80 2.81 2.07 -1.06 0.46 116.25 120.50 1mum h VAL 253 Ca -0.01 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1mum h VAL 253 Cb 0.27 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1mum h VAL 253 CO 0.02 0.12 0.53 0.25 0.02 0.00 0.00 177.57 178.50 1mum h LEU 254 N 0.63 0.90 -0.24 2.57 5.85 -1.13 0.44 115.31 124.33 1mum h LEU 254 Ca 0.19 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.72 1mum h LEU 254 Cb -0.03 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1mum h LEU 254 CO -0.07 0.64 -0.51 -0.09 -0.34 0.00 0.00 178.44 178.07 1mum h ARG 255 N 1.06 0.77 -0.15 1.25 9.65 -0.51 -0.32 114.38 126.13 1mum h ARG 255 Ca 0.30 -0.51 -0.06 0.00 -1.10 0.00 0.00 59.98 58.61 1mum h ARG 255 Cb -0.09 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1mum h ARG 255 CO -0.08 1.13 -0.16 1.96 2.80 0.00 0.00 179.97 185.63 1mum h GLN 256 N 0.50 0.37 -0.01 0.20 4.20 0.27 -3.37 115.11 117.27 1mum h GLN 256 Ca 0.00 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1mum h GLN 256 Cb 1.13 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1mum h GLN 256 CO 0.11 0.76 -0.55 0.39 -0.67 0.00 0.00 178.83 178.87 1mum n GLU 257 N -4.54 1.26 -1.73 1.46 1.02 0.15 -4.99 120.64 113.28 1mum n GLU 257 Ca -0.06 -0.65 -0.12 0.00 -0.02 0.00 0.00 57.16 56.31 1mum n GLU 257 Cb 0.37 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 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 1.34 0.68 3.60 0.62 0.00 -0.13 -4.97 105.19 106.33 1mum n GLY 258 Ca 0.07 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.51 0.00 -1.85 2.61 -1.32 -1.24 -5.04 115.64 106.29 1mum s THR 259 Ca 0.00 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.70 1mum s THR 259 Cb 0.00 -1.00 0.66 0.00 -1.51 0.00 0.00 72.50 70.65 1mum s THR 259 CO 0.00 0.00 1.55 0.00 -2.21 0.00 0.00 174.62 173.96 1mum n GLN 260 N 0.49 2.87 -0.25 7.08 0.00 -1.26 -4.15 117.38 122.16 1mum n GLN 260 Ca -0.05 -2.65 0.05 0.00 0.00 0.00 0.00 57.00 54.34 1mum n GLN 260 Cb 0.58 -1.62 0.16 0.00 0.00 0.00 0.00 30.24 29.36 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 4.21 0.14 0.00 2.61 1.57 -1.97 -0.84 116.57 122.29 1mum h LYS 261 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1mum h LYS 261 Cb 1.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1mum h LYS 261 CO 0.04 0.09 0.00 0.77 -0.57 0.00 0.00 179.45 179.78 1mum h SER 262 N 0.14 0.00 -0.10 0.86 0.02 -1.99 -3.11 113.55 109.38 1mum h SER 262 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1mum h SER 262 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1mum h SER 262 CO -0.61 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 176.41 1mum n VAL 263 N -2.52 0.82 -0.35 2.27 0.24 -0.36 -4.69 118.33 113.75 1mum n VAL 263 Ca 0.00 -0.91 0.04 0.00 -2.04 0.00 0.00 64.34 61.43 1mum n VAL 263 Cb 0.17 0.60 0.20 0.00 -1.47 0.00 0.00 33.84 33.35 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 0.68 1.05 0.00 1.34 1.08 -1.40 -1.05 117.51 119.22 1mum h ILE 264 Ca 0.00 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1mum h ILE 264 Cb 0.50 -0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1mum h ILE 264 CO 0.00 0.20 0.00 -0.90 -0.69 0.00 0.00 178.15 176.76 1mum n ASP 265 N -4.52 0.30 -0.58 1.72 5.75 -1.26 -1.41 116.55 116.56 1mum n ASP 265 Ca 0.16 0.61 0.13 0.00 -0.01 0.00 0.00 54.79 55.67 1mum n ASP 265 Cb 0.22 -0.66 0.27 0.00 -1.03 0.00 0.00 41.12 39.92 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 -1.87 0.00 -3.72 2.12 -2.24 -0.40 -4.96 114.28 103.22 1mum n THR 266 Ca 0.01 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.14 1mum n THR 266 Cb 0.10 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.19 3.63 0.24 -0.78 -1.94 -0.50 -5.06 119.30 112.70 1mum s MET 267 Ca 0.29 0.00 -0.30 0.00 -1.71 0.00 0.00 55.69 53.97 1mum s MET 267 Cb 0.20 -3.09 -0.09 0.00 2.01 0.00 0.00 34.83 33.85 1mum s MET 267 CO 0.40 0.65 1.33 -1.14 -0.01 0.00 0.00 175.02 176.25 1mum s GLN 268 N -1.65 4.37 0.83 2.03 0.74 -1.26 -4.99 119.66 119.74 1mum s GLN 268 Ca 0.27 2.13 -0.12 0.00 0.05 0.00 0.00 55.36 57.69 1mum s GLN 268 Cb -0.14 -3.15 0.09 0.00 1.10 0.00 0.00 33.01 30.92 1mum s GLN 268 CO 0.15 -0.25 1.14 0.95 -0.55 0.00 0.00 175.29 176.72 1mum s THR 269 N -0.23 2.41 0.14 -0.34 -4.23 -1.26 -4.87 115.64 107.26 1mum s THR 269 Ca 0.55 0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 61.03 1mum s THR 269 Cb -0.38 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1mum s THR 269 CO 0.42 -0.17 1.74 -0.09 -0.54 0.00 0.00 174.62 175.98 1mum h ARG 270 N -1.18 0.56 -0.45 3.99 2.43 -1.99 -0.99 114.38 116.74 1mum h ARG 270 Ca -0.48 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1mum h ARG 270 Cb 1.31 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1mum h ARG 270 CO 0.63 0.46 0.22 -0.91 -1.51 0.00 0.00 179.97 178.86 1mum h ASN 271 N 0.51 0.31 -0.76 -3.80 -0.26 -2.00 -1.34 115.58 108.25 1mum h ASN 271 Ca 0.14 0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.86 1mum h ASN 271 Cb 0.06 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.26 1mum h ASN 271 CO -0.02 0.22 0.31 -0.33 -1.06 0.00 0.00 177.43 176.55 1mum h GLU 272 N 0.44 1.14 -0.10 0.81 5.08 -1.85 -1.09 114.58 119.01 1mum h GLU 272 Ca 0.20 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mum h GLU 272 Cb 0.12 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1mum h GLU 272 CO -0.15 0.92 0.06 1.25 -1.00 0.00 0.00 179.01 180.10 1mum h LEU 273 N 1.12 0.12 -0.25 1.33 6.46 -0.65 -0.31 115.31 123.12 1mum h LEU 273 Ca 0.26 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.02 1mum h LEU 273 Cb 0.21 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1mum h LEU 273 CO -0.02 0.10 0.09 1.88 -0.62 0.00 0.00 178.44 179.88 1mum h TYR 274 N 0.12 0.17 -0.64 1.25 -1.99 -0.99 -2.39 116.97 112.50 1mum h TYR 274 Ca 0.04 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.83 1mum h TYR 274 Cb 0.01 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 38.64 1mum h TYR 274 CO -0.07 0.09 0.37 1.49 -0.00 0.00 0.00 178.16 180.04 1mum h GLU 275 N 0.21 0.67 -0.45 4.88 4.81 -0.92 -1.08 114.58 122.71 1mum h GLU 275 Ca 0.11 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1mum h GLU 275 Cb 0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1mum h GLU 275 CO -0.10 0.44 0.26 0.77 -0.73 0.00 0.00 179.01 179.65 1mum h SER 276 N 0.69 0.53 -0.78 1.04 0.02 -0.66 -2.34 113.55 112.06 1mum h SER 276 Ca 0.28 -0.03 -0.26 0.00 -0.84 0.00 0.00 61.79 60.94 1mum h SER 276 Cb 0.13 -0.13 -0.16 0.00 0.14 0.00 0.00 62.40 62.38 1mum h SER 276 CO -0.16 0.42 0.33 2.30 -1.14 0.00 0.00 176.83 178.58 1mum n ILE 277 N -4.43 2.98 -4.30 3.27 -5.35 -0.94 -4.78 119.36 105.81 1mum n ILE 277 Ca 0.04 -1.71 -0.34 0.00 -0.27 0.00 0.00 62.75 60.46 1mum n ILE 277 Cb 0.09 -0.38 -0.07 0.00 -1.74 0.00 0.00 39.64 37.55 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 -0.33 -0.94 -0.33 7.28 3.02 -0.88 -4.80 115.26 118.28 1mum n ASN 278 Ca 0.44 -1.17 0.14 0.00 -0.03 0.00 0.00 54.58 53.97 1mum n ASN 278 Cb 1.43 -2.10 0.36 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.48 0.96 0.00 3.10 3.20 -1.44 -1.47 116.97 119.84 1mum h TYR 279 Ca -0.62 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.22 1mum h TYR 279 Cb 1.39 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1mum h TYR 279 CO 0.59 0.22 -0.25 1.88 -1.64 0.00 0.00 178.16 178.96 1mum h TYR 280 N 0.69 0.00 0.00 -3.82 -1.99 -1.87 -3.03 116.97 106.95 1mum h TYR 280 Ca 0.56 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.29 1mum h TYR 280 Cb 0.97 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.70 1mum h TYR 280 CO -0.00 0.25 0.00 1.04 -0.00 0.00 0.00 178.16 179.45 1mum n GLN 281 N -3.25 0.01 -0.07 4.88 6.02 -0.55 -2.54 117.38 121.88 1mum n GLN 281 Ca 0.02 0.36 -0.14 0.00 -0.01 0.00 0.00 57.00 57.23 1mum n GLN 281 Cb 0.55 -1.53 -0.11 0.00 1.02 0.00 0.00 30.24 30.17 1mum n GLN 281 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 1mum h TYR 282 N 0.00 0.00 0.00 1.08 -1.99 -1.63 -2.86 116.97 111.57 1mum h TYR 282 Ca 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1mum h TYR 282 Cb 0.15 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.88 1mum h TYR 282 CO 0.00 0.95 -0.16 1.49 -0.00 0.00 0.00 178.16 180.45 1mum h GLU 283 N -1.00 0.00 -0.48 4.88 4.81 -1.72 -2.36 114.58 118.70 1mum h GLU 283 Ca -0.07 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 1mum h GLU 283 Cb 0.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1mum h GLU 283 CO -0.04 0.16 -0.20 0.93 -0.73 0.00 0.00 179.01 179.12 1mum h GLU 284 N 0.00 0.99 -0.50 1.92 5.08 -1.59 -1.75 114.58 118.73 1mum h GLU 284 Ca -0.00 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 1mum h GLU 284 Cb 0.61 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1mum h GLU 284 CO 0.02 1.10 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.87 1mum h LYS 285 N 0.85 0.87 -0.56 2.33 3.64 -1.19 -1.03 116.57 121.47 1mum h LYS 285 Ca 0.11 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1mum h LYS 285 Cb 0.78 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1mum h LYS 285 CO 0.06 0.89 0.31 -0.07 -2.27 0.00 0.00 179.45 178.37 1mum h LEU 286 N 0.80 0.71 -1.05 5.20 3.38 -1.21 0.70 115.31 123.83 1mum h LEU 286 Ca 0.14 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1mum h LEU 286 Cb 0.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1mum h LEU 286 CO 0.03 0.60 -0.32 0.44 0.09 0.00 0.00 178.44 179.28 1mum h ASP 287 N 0.76 0.28 0.45 -0.43 3.32 -1.03 0.24 116.42 120.01 1mum h ASP 287 Ca 0.20 -0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.97 1mum h ASP 287 Cb 0.05 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1mum h ASP 287 CO -0.03 0.59 -0.75 0.78 -1.72 0.00 0.00 179.24 178.11 1mum h ASN 288 N 0.24 0.29 0.41 6.45 2.35 -0.61 -3.31 115.58 121.40 1mum h ASN 288 Ca 0.03 -0.20 -0.31 0.00 -0.55 0.00 0.00 56.30 55.27 1mum h ASN 288 Cb 0.68 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1mum h ASN 288 CO 0.05 0.94 -1.66 -0.07 -1.65 0.00 0.00 177.43 175.04 1mum h LEU 289 N 0.16 0.30 0.00 1.61 3.38 -0.64 -3.49 115.31 116.63 1mum h LEU 289 Ca -0.03 -0.49 -0.61 0.00 0.09 0.00 0.00 57.88 56.84 1mum h LEU 289 Cb 1.32 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.85 1mum h LEU 289 CO 0.12 1.42 -0.46 0.49 0.09 0.00 0.00 178.44 180.10 1mum n PHE 290 N -3.36 0.84 -0.59 1.13 3.01 0.82 -5.09 117.46 114.22 1mum n PHE 290 Ca -0.19 -2.47 0.00 0.00 1.01 0.00 0.00 57.45 55.80 1mum n PHE 290 Cb 1.04 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 40.28 1mum n PHE 290 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77