#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2air s ASN 2 N 0.00 5.40 0.64 0.00 2.20 0.63 -4.88 114.94 118.92 2air s ASN 2 Ca 0.00 2.53 0.22 0.00 -0.94 0.00 0.00 52.86 54.68 2air s ASN 2 Cb 0.00 -2.62 1.11 0.00 -2.00 0.00 0.00 41.25 37.75 2air s ASN 2 CO 0.00 -1.46 1.61 -0.65 -2.94 0.00 0.00 177.10 173.66 2air h PRO 3 N 1.35 0.00 -0.10 3.55 0.11 -1.93 -0.30 132.00 134.68 2air h PRO 3 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2air h PRO 3 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2air h PRO 3 CO 0.57 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.64 2air n LEU 4 N -3.04 2.74 -4.67 2.35 4.77 -1.26 -4.90 117.00 112.98 2air n LEU 4 Ca 0.04 -1.13 -0.46 0.00 -0.03 0.00 0.00 56.01 54.44 2air n LEU 4 Cb 0.76 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.75 2air n LEU 4 CO 0.15 0.51 1.20 0.00 -1.33 0.00 0.00 177.39 177.92 2air n TYR 5 N 1.11 2.30 -1.61 -1.77 9.36 -0.13 -1.46 117.16 124.96 2air n TYR 5 Ca 0.12 0.26 -0.16 0.00 3.32 0.00 0.00 57.90 61.44 2air n TYR 5 Cb 0.49 -2.55 -0.06 0.00 -0.63 0.00 0.00 39.34 36.59 2air n TYR 5 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2air n GLN 6 N 3.40 -1.45 -3.66 2.98 1.13 -0.40 -4.96 117.38 114.41 2air n GLN 6 Ca 0.17 0.93 -0.37 0.00 -1.94 0.00 0.00 57.00 55.79 2air n GLN 6 Cb 0.29 -5.28 -0.06 0.00 0.11 0.00 0.00 30.24 25.30 2air n GLN 6 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2air s LYS 7 N -3.62 3.70 0.32 -1.09 -0.14 -0.53 -4.80 119.74 113.57 2air s LYS 7 Ca 0.00 0.15 -0.28 0.00 -1.36 0.00 0.00 55.97 54.48 2air s LYS 7 Cb 0.00 -3.17 -0.09 0.00 -1.68 0.00 0.00 37.83 32.89 2air s LYS 7 CO 0.00 0.70 1.12 -1.01 -0.76 0.00 0.00 175.35 175.40 2air s HIS 8 N -1.13 3.43 -0.73 3.18 3.76 -1.26 -4.72 115.29 117.81 2air s HIS 8 Ca 0.23 1.65 0.00 0.00 -0.15 0.00 0.00 55.06 56.79 2air s HIS 8 Cb -0.14 -3.31 0.18 0.00 1.11 0.00 0.00 32.58 30.42 2air s HIS 8 CO 0.11 -0.76 0.56 0.42 -0.85 0.00 0.00 174.74 174.23 2air s ILE 9 N -1.26 3.66 -0.25 0.60 -1.09 -0.60 -4.92 121.20 117.33 2air s ILE 9 Ca 0.48 -3.65 -0.09 0.00 -2.23 0.00 0.00 60.65 55.17 2air s ILE 9 Cb -0.31 -3.35 -0.12 0.00 -1.58 0.00 0.00 42.46 37.10 2air s ILE 9 CO 0.40 -0.98 -0.30 -0.38 -1.23 0.00 0.00 174.94 172.45 2air n ILE 10 N 2.66 1.41 -4.55 2.92 5.41 -1.26 -1.31 119.36 124.64 2air n ILE 10 Ca 0.15 -0.41 -0.22 0.00 1.00 0.00 0.00 62.75 63.28 2air n ILE 10 Cb 0.36 -1.71 -0.14 0.00 -0.71 0.00 0.00 39.64 37.43 2air n ILE 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2air s SER 11 N -7.05 1.75 0.33 4.38 0.15 -1.26 -4.57 113.70 107.42 2air s SER 11 Ca -0.35 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 55.98 2air s SER 11 Cb 0.12 -0.16 0.57 0.00 -1.71 0.00 0.00 66.02 64.85 2air s SER 11 CO 0.48 0.12 1.86 -0.29 1.20 0.00 0.00 173.24 176.61 2air h ILE 12 N 4.65 1.20 0.00 6.45 6.09 -1.95 -2.25 117.51 131.70 2air h ILE 12 Ca -0.36 -0.83 -0.01 0.00 -1.37 0.00 0.00 64.86 62.29 2air h ILE 12 Cb 1.17 0.96 -0.00 0.00 0.47 0.00 0.00 36.82 39.42 2air h ILE 12 CO 0.47 0.28 -0.07 0.78 -3.07 0.00 0.00 178.15 176.54 2air h ASN 13 N 0.51 0.00 0.35 2.19 -0.26 -1.96 0.56 115.58 116.97 2air h ASN 13 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2air h ASN 13 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 2air h ASN 13 CO 0.01 0.07 0.00 0.47 -1.06 0.00 0.00 177.43 176.92 2air n ASP 14 N -4.37 0.00 -4.66 5.81 8.00 -0.85 -4.71 116.55 115.78 2air n ASP 14 Ca -0.03 -0.33 -0.38 0.00 0.71 0.00 0.00 54.79 54.77 2air n ASP 14 Cb 0.15 -0.20 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 2air n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2air s LEU 15 N -2.40 4.12 0.57 0.64 1.43 0.19 -5.05 118.68 118.17 2air s LEU 15 Ca 0.30 0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.60 2air s LEU 15 Cb 0.18 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2air s LEU 15 CO 0.38 -0.03 0.95 -0.94 0.23 0.00 0.00 176.35 176.95 2air s SER 16 N 1.15 6.25 0.29 2.29 1.04 -1.26 -4.85 113.70 118.61 2air s SER 16 Ca 0.13 1.27 0.04 0.00 0.48 0.00 0.00 55.95 57.88 2air s SER 16 Cb -0.14 -2.40 0.70 0.00 0.10 0.00 0.00 66.02 64.28 2air s SER 16 CO 0.07 -0.77 1.77 -0.09 0.98 0.00 0.00 173.24 175.20 2air h ARG 17 N -0.10 0.69 -0.09 4.02 2.43 -1.98 0.18 114.38 119.53 2air h ARG 17 Ca -0.45 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.72 2air h ARG 17 Cb 1.19 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 2air h ARG 17 CO 0.62 0.46 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.93 2air h ASP 18 N 0.71 -0.51 -0.15 -3.80 3.32 -1.99 0.32 116.42 114.31 2air h ASP 18 Ca 0.56 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.74 2air h ASP 18 Cb 0.87 0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 2air h ASP 18 CO -0.39 -0.22 -0.14 0.44 -1.72 0.00 0.00 179.24 177.21 2air h ASP 19 N -0.23 -0.43 -0.60 6.45 3.32 -1.06 -0.25 116.42 123.62 2air h ASP 19 Ca 0.08 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.28 2air h ASP 19 Cb 0.35 0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 2air h ASP 19 CO -0.23 -0.18 0.30 -0.07 -1.72 0.00 0.00 179.24 177.35 2air h LEU 20 N -0.15 0.42 -0.51 1.55 3.38 -0.74 -0.14 115.31 119.11 2air h LEU 20 Ca 0.10 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2air h LEU 20 Cb 0.30 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2air h LEU 20 CO -0.24 0.27 0.31 0.78 0.09 0.00 0.00 178.44 179.64 2air h ASN 21 N 0.56 0.50 -0.57 -0.43 2.35 -0.32 0.24 115.58 117.91 2air h ASN 21 Ca 0.28 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 2air h ASN 21 Cb 0.22 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2air h ASN 21 CO -0.20 0.35 0.19 0.25 -1.65 0.00 0.00 177.43 176.38 2air h LEU 22 N 0.61 0.81 -0.10 1.61 5.85 -0.32 0.22 115.31 123.99 2air h LEU 22 Ca 0.20 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2air h LEU 22 Cb 0.01 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2air h LEU 22 CO -0.09 0.79 0.02 0.58 -0.34 0.00 0.00 178.44 179.41 2air h VAL 23 N 0.79 1.19 -0.40 1.05 2.07 -0.73 -1.00 116.25 119.23 2air h VAL 23 Ca 0.19 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2air h VAL 23 Cb 0.26 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2air h VAL 23 CO -0.01 0.17 0.06 -0.07 0.02 0.00 0.00 177.57 177.75 2air h LEU 24 N -0.05 0.57 -0.05 2.57 3.38 -0.81 -0.30 115.31 120.62 2air h LEU 24 Ca 0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2air h LEU 24 Cb 0.25 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2air h LEU 24 CO 0.00 0.59 0.02 0.00 0.09 0.00 0.00 178.44 179.14 2air h ALA 25 N 1.48 0.07 -0.63 1.53 0.00 -0.36 -2.30 119.26 119.06 2air h ALA 25 Ca 0.13 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2air h ALA 25 Cb 0.28 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2air h ALA 25 CO 0.00 -0.32 0.39 1.15 0.00 0.00 0.00 179.25 180.47 2air h THR 26 N -0.11 1.09 -0.55 0.00 2.02 -0.83 -2.08 112.91 112.46 2air h THR 26 Ca 0.02 -0.27 0.08 0.00 0.77 0.00 0.00 66.41 67.01 2air h THR 26 Cb 0.21 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 66.80 2air h THR 26 CO -0.00 0.14 0.20 0.00 0.37 0.00 0.00 175.52 176.23 2air h ALA 27 N 1.26 0.69 -0.56 6.16 0.00 -0.89 0.06 119.26 125.98 2air h ALA 27 Ca 0.25 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2air h ALA 27 Cb -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2air h ALA 27 CO -0.09 -0.20 0.25 0.00 0.00 0.00 0.00 179.25 179.21 2air h ALA 28 N 1.37 0.73 0.22 0.00 0.00 -1.06 -1.57 119.26 118.94 2air h ALA 28 Ca 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2air h ALA 28 Cb 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2air h ALA 28 CO -0.27 0.31 -0.10 0.87 0.00 0.00 0.00 179.25 180.06 2air h LYS 29 N 0.76 -0.28 -0.31 0.00 1.57 -0.58 -0.47 116.57 117.27 2air h LYS 29 Ca 0.19 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2air h LYS 29 Cb 0.15 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2air h LYS 29 CO -0.02 -0.18 0.07 -0.07 -0.57 0.00 0.00 179.45 178.68 2air h LEU 30 N -0.30 0.40 -0.50 2.94 3.38 -1.00 0.22 115.31 120.46 2air h LEU 30 Ca -0.03 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2air h LEU 30 Cb 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2air h LEU 30 CO 0.05 0.42 0.18 0.50 0.09 0.00 0.00 178.44 179.67 2air h LYS 31 N 0.44 0.76 0.04 1.13 3.64 -0.84 -2.61 116.57 119.12 2air h LYS 31 Ca 0.11 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2air h LYS 31 Cb 0.18 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2air h LYS 31 CO -0.00 0.69 -0.02 0.00 -2.27 0.00 0.00 179.45 177.85 2air h ALA 32 N 1.03 -0.06 -3.20 5.00 0.00 -0.16 -3.41 119.26 118.46 2air h ALA 32 Ca 0.16 -0.21 -0.62 0.00 0.00 0.00 0.00 54.91 54.25 2air h ALA 32 Cb 0.24 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.65 2air h ALA 32 CO -0.01 -0.32 -0.72 -0.80 0.00 0.00 0.00 179.25 177.40 2air s ASN 33 N -5.56 4.02 0.52 0.00 0.01 0.70 -5.11 114.94 109.53 2air s ASN 33 Ca -0.15 -2.37 -0.23 0.00 -0.71 0.00 0.00 52.86 49.40 2air s ASN 33 Cb 0.02 -1.18 -0.06 0.00 0.41 0.00 0.00 41.25 40.45 2air s ASN 33 CO 0.65 -0.32 1.37 -2.65 -1.51 0.00 0.00 177.10 174.65 2air n PRO 34 N 3.90 1.82 -3.74 -0.60 -0.02 -0.99 -4.39 135.00 130.99 2air n PRO 34 Ca 0.05 0.66 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 2air n PRO 34 Cb 0.37 -2.59 -0.12 0.00 -0.02 0.00 0.00 33.50 31.14 2air n PRO 34 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2air s GLN 35 N -2.78 1.62 0.44 -0.52 -0.21 -1.26 -4.99 119.66 111.96 2air s GLN 35 Ca 0.69 -2.45 0.30 0.00 0.02 0.00 0.00 55.36 53.92 2air s GLN 35 Cb -0.43 -2.58 1.52 0.00 1.00 0.00 0.00 33.01 32.52 2air s GLN 35 CO 0.51 -1.23 1.92 -1.35 -2.12 0.00 0.00 175.29 173.03 2air h PRO 36 N 6.16 0.00 -0.10 2.91 0.11 -1.85 -2.99 132.00 136.23 2air h PRO 36 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2air h PRO 36 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2air h PRO 36 CO 0.55 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.73 2air n GLU 37 N -2.62 1.21 -0.15 1.05 -0.58 -1.25 -1.86 120.64 116.44 2air n GLU 37 Ca -0.01 -1.34 -0.09 0.00 -0.42 0.00 0.00 57.16 55.31 2air n GLU 37 Cb 0.13 -1.17 -0.03 0.00 -0.57 0.00 0.00 31.44 29.80 2air n GLU 37 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2air h LEU 38 N 1.51 -1.33 -3.95 -4.62 5.85 -1.41 -2.44 115.31 108.92 2air h LEU 38 Ca 0.00 0.22 -0.65 0.00 0.84 0.00 0.00 57.88 58.29 2air h LEU 38 Cb 0.46 0.60 -0.31 0.00 0.37 0.00 0.00 40.66 41.78 2air h LEU 38 CO 0.00 -0.35 0.55 0.18 -0.34 0.00 0.00 178.44 178.48 2air n LEU 39 N -5.42 7.14 -0.28 2.25 4.77 0.26 -4.87 117.00 120.85 2air n LEU 39 Ca 0.01 -4.35 -0.11 0.00 -0.03 0.00 0.00 56.01 51.52 2air n LEU 39 Cb 0.35 -0.85 -0.08 0.00 -2.33 0.00 0.00 43.42 40.51 2air n LEU 39 CO 0.03 1.58 0.51 0.50 -1.33 0.00 0.00 177.39 178.68 2air h LYS 40 N 2.00 -0.17 -1.04 3.23 3.11 -1.54 -2.49 116.57 119.67 2air h LYS 40 Ca 0.56 0.01 -0.47 0.00 -2.81 0.00 0.00 60.65 57.94 2air h LYS 40 Cb 1.00 0.04 -0.25 0.00 -1.00 0.00 0.00 32.23 32.02 2air h LYS 40 CO 1.42 -0.11 0.60 0.72 -2.81 0.00 0.00 179.45 179.27 2air n HIS 41 N -5.34 2.61 -4.01 1.91 8.25 -1.26 -4.53 115.22 112.85 2air n HIS 41 Ca 0.01 -1.91 -0.30 0.00 -0.26 0.00 0.00 57.72 55.26 2air n HIS 41 Cb 0.31 -0.96 -0.05 0.00 1.12 0.00 0.00 29.99 30.41 2air n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2air s LYS 42 N -2.87 3.09 -0.12 -0.41 -0.14 -0.95 -5.01 119.74 113.33 2air s LYS 42 Ca 0.49 -0.63 0.01 0.00 -1.36 0.00 0.00 55.97 54.49 2air s LYS 42 Cb 0.41 -2.83 0.02 0.00 -1.68 0.00 0.00 37.83 33.75 2air s LYS 42 CO 0.07 0.57 -0.14 0.08 -0.76 0.00 0.00 175.35 175.17 2air s VAL 43 N -1.48 1.42 -0.06 3.17 1.01 -1.26 -0.52 120.40 122.68 2air s VAL 43 Ca 0.31 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2air s VAL 43 Cb -0.12 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2air s VAL 43 CO 0.24 0.43 -0.13 -0.63 0.00 0.00 0.00 175.10 175.01 2air s ILE 44 N 1.22 3.16 -0.21 2.22 1.01 0.14 -1.28 121.20 127.46 2air s ILE 44 Ca -0.02 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 2air s ILE 44 Cb -0.14 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 2air s ILE 44 CO -0.05 0.59 0.46 0.00 0.00 0.00 0.00 174.94 175.94 2air s ALA 45 N -0.68 3.56 -0.69 9.38 0.00 0.12 -1.42 121.76 132.02 2air s ALA 45 Ca 0.10 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 2air s ALA 45 Cb -0.11 -2.74 0.18 0.00 0.00 0.00 0.00 23.12 20.45 2air s ALA 45 CO 0.01 -0.43 0.56 0.45 0.00 0.00 0.00 175.76 176.34 2air s SER 46 N 1.19 5.83 -0.93 0.00 0.15 0.96 -0.17 113.70 120.72 2air s SER 46 Ca 0.21 -2.74 -0.13 0.00 0.70 0.00 0.00 55.95 53.98 2air s SER 46 Cb -0.15 -2.00 0.22 0.00 -1.71 0.00 0.00 66.02 62.38 2air s SER 46 CO 0.09 -0.46 0.94 0.00 1.20 0.00 0.00 173.24 175.00 2air s PHE 48 N 0.20 3.43 0.44 0.00 0.40 -0.55 -1.55 117.98 120.35 2air s PHE 48 Ca 0.24 -1.77 0.13 0.00 -0.60 0.00 0.00 56.93 54.93 2air s PHE 48 Cb -0.09 -4.15 0.96 0.00 0.51 0.00 0.00 43.02 40.26 2air s PHE 48 CO -0.08 -1.31 1.99 0.74 0.70 0.00 0.00 175.22 177.25 2air h PHE 49 N 8.11 0.08 -3.26 0.36 0.04 -0.96 0.14 116.94 121.44 2air h PHE 49 Ca 0.18 -0.01 -0.67 0.00 2.80 0.00 0.00 57.97 60.27 2air h PHE 49 Cb 0.99 -0.02 -0.32 0.00 2.20 0.00 0.00 35.95 38.79 2air h PHE 49 CO 1.09 0.22 -0.84 -2.00 -0.60 0.00 0.00 178.31 176.18 2air s GLU 50 N -4.72 3.11 0.55 1.51 2.12 -1.04 -3.84 118.70 116.40 2air s GLU 50 Ca -0.04 -0.81 -0.20 0.00 0.36 0.00 0.00 54.97 54.27 2air s GLU 50 Cb 0.16 -2.49 -0.05 0.00 0.26 0.00 0.00 34.13 32.02 2air s GLU 50 CO 0.70 0.05 1.25 0.00 -0.54 0.00 0.00 175.26 176.72 2air s ALA 51 N 0.70 2.70 -0.37 6.30 0.00 -1.26 -4.77 121.76 125.06 2air s ALA 51 Ca -0.09 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 2air s ALA 51 Cb -0.16 -3.48 0.22 0.00 0.00 0.00 0.00 23.12 19.71 2air s ALA 51 CO 0.01 -1.14 1.07 -1.13 0.00 0.00 0.00 175.76 174.57 2air n SER 52 N -1.22 -1.72 -0.31 0.00 3.41 -1.26 -5.09 113.62 107.43 2air n SER 52 Ca 0.12 -1.39 -0.12 0.00 -0.26 0.00 0.00 58.87 57.22 2air n SER 52 Cb 0.48 0.89 -0.10 0.00 -0.26 0.00 0.00 64.21 65.22 2air n SER 52 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2air h THR 53 N 2.67 0.00 -0.21 6.66 2.02 -1.97 0.20 112.91 122.28 2air h THR 53 Ca -0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.17 2air h THR 53 Cb 1.16 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2air h THR 53 CO -0.10 0.00 0.02 -0.09 0.37 0.00 0.00 175.52 175.73 2air h ARG 54 N -0.14 0.10 -0.59 6.66 2.43 -1.98 0.97 114.38 121.83 2air h ARG 54 Ca 0.13 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2air h ARG 54 Cb 0.46 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2air h ARG 54 CO -0.80 0.06 0.14 1.15 -1.51 0.00 0.00 179.97 179.02 2air h THR 55 N 0.10 1.24 -0.24 0.20 2.02 -1.92 0.46 112.91 114.77 2air h THR 55 Ca 0.10 -0.87 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 2air h THR 55 Cb 0.11 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2air h THR 55 CO -0.15 0.33 -0.17 -0.09 0.37 0.00 0.00 175.52 175.81 2air h ARG 56 N 0.89 0.54 -0.27 6.66 2.43 0.31 -1.19 114.38 123.75 2air h ARG 56 Ca 0.19 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2air h ARG 56 Cb 0.32 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2air h ARG 56 CO -0.00 0.83 -0.18 -0.07 -1.51 0.00 0.00 179.97 179.04 2air h LEU 57 N 0.25 0.48 -0.07 3.80 3.38 0.12 -1.14 115.31 122.13 2air h LEU 57 Ca 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2air h LEU 57 Cb 0.69 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2air h LEU 57 CO 0.04 0.67 -0.01 -1.28 0.09 0.00 0.00 178.44 177.96 2air h SER 58 N 0.44 0.12 0.13 -0.43 0.87 -0.82 -1.08 113.55 112.78 2air h SER 58 Ca 0.07 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2air h SER 58 Cb 0.57 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2air h SER 58 CO 0.04 0.43 -0.11 -0.26 -0.53 0.00 0.00 176.83 176.40 2air h PHE 59 N -0.19 -0.28 -0.29 2.24 0.05 -1.01 -1.69 116.94 115.77 2air h PHE 59 Ca 0.02 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.75 2air h PHE 59 Cb 0.37 0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.41 2air h PHE 59 CO 0.04 -0.17 -0.08 0.93 -0.18 0.00 0.00 178.31 178.85 2air h GLU 60 N -0.25 0.46 -0.69 1.51 5.08 -1.24 -1.98 114.58 117.47 2air h GLU 60 Ca 0.00 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2air h GLU 60 Cb 0.24 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2air h GLU 60 CO -0.02 0.55 0.27 1.15 -1.00 0.00 0.00 179.01 179.96 2air h THR 61 N 0.44 1.25 -0.81 1.13 2.02 -0.95 -1.40 112.91 114.58 2air h THR 61 Ca 0.09 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.50 2air h THR 61 Cb 0.41 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 2air h THR 61 CO 0.02 0.31 0.53 0.28 0.37 0.00 0.00 175.52 177.03 2air h SER 62 N 0.98 0.89 -0.74 4.18 0.02 -0.61 0.36 113.55 118.64 2air h SER 62 Ca 0.23 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2air h SER 62 Cb 0.22 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2air h SER 62 CO -0.02 0.63 0.36 0.24 -1.14 0.00 0.00 176.83 176.91 2air h MET 63 N 1.05 1.06 -0.27 3.45 2.07 -0.77 -2.84 114.93 118.68 2air h MET 63 Ca 0.31 -0.15 -0.15 0.00 -2.07 0.00 0.00 59.70 57.64 2air h MET 63 Cb -0.06 -0.19 -0.00 0.00 -1.87 0.00 0.00 31.60 29.48 2air h MET 63 CO -0.09 0.83 -0.43 0.45 1.07 0.00 0.00 176.91 178.74 2air h HIS 64 N 1.04 0.95 0.00 -0.22 3.86 -0.67 -1.31 115.15 118.80 2air h HIS 64 Ca 0.26 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2air h HIS 64 Cb 0.11 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2air h HIS 64 CO 0.01 1.12 0.12 0.00 0.86 0.00 0.00 177.93 180.03 2air h ARG 65 N 0.52 0.00 -0.02 2.45 2.47 -0.76 0.64 114.38 119.67 2air h ARG 65 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2air h ARG 65 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 2air h ARG 65 CO 0.10 0.00 -0.12 1.28 0.56 0.00 0.00 179.97 181.79 2air n LEU 66 N -2.74 2.60 0.00 3.04 4.77 -1.07 -3.70 117.00 119.90 2air n LEU 66 Ca -0.02 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 2air n LEU 66 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2air n LEU 66 CO 0.14 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2air n GLY 67 N 1.27 0.78 3.83 -0.72 0.00 0.22 -0.58 105.19 110.00 2air n GLY 67 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2air n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2air s ALA 68 N -2.89 2.71 0.18 4.61 0.00 -0.52 -4.03 121.76 121.82 2air s ALA 68 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 2air s ALA 68 Cb 0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2air s ALA 68 CO 0.00 -1.19 0.42 -1.12 0.00 0.00 0.00 175.76 173.86 2air s SER 69 N -3.90 6.47 -0.03 0.00 0.01 0.33 -4.39 113.70 112.19 2air s SER 69 Ca 0.58 0.59 0.03 0.00 1.31 0.00 0.00 55.95 58.46 2air s SER 69 Cb -0.13 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2air s SER 69 CO 0.55 -0.01 -0.12 -0.69 0.41 0.00 0.00 173.24 173.37 2air s VAL 70 N -1.78 1.01 0.04 3.43 1.01 -1.26 0.26 120.40 123.11 2air s VAL 70 Ca 0.41 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2air s VAL 70 Cb -0.12 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2air s VAL 70 CO 0.26 0.30 -0.05 0.68 0.00 0.00 0.00 175.10 176.30 2air s VAL 71 N 0.11 0.29 -2.76 2.92 -7.23 -0.51 -4.95 120.40 108.27 2air s VAL 71 Ca -0.03 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2air s VAL 71 Cb -0.09 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.21 2air s VAL 71 CO 0.01 -0.57 0.00 0.61 -0.31 0.00 0.00 175.10 174.84 2air n GLY 72 N 1.23 -0.56 1.95 2.32 0.00 -1.26 -0.03 105.19 108.84 2air n GLY 72 Ca -0.21 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.04 2air n GLY 72 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2air n PHE 73 N 4.96 -0.93 -3.42 1.61 1.16 -0.64 -4.96 117.46 115.25 2air n PHE 73 Ca 0.00 -0.63 -0.26 0.00 -1.87 0.00 0.00 57.45 54.69 2air n PHE 73 Cb 0.00 0.30 -0.11 0.00 -1.61 0.00 0.00 39.48 38.07 2air n PHE 73 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2air s SER 74 N -2.25 2.32 0.00 5.98 0.01 -1.24 -1.48 113.70 117.04 2air s SER 74 Ca 0.12 -2.22 0.00 0.00 1.31 0.00 0.00 55.95 55.16 2air s SER 74 Cb -0.01 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.02 2air s SER 74 CO 0.03 -0.27 0.10 -0.67 0.41 0.00 0.00 173.24 172.84 2air n ASP 75 N 3.86 0.00 -2.51 2.44 4.64 0.49 -3.85 116.55 121.62 2air n ASP 75 Ca 0.15 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 53.52 2air n ASP 75 Cb 0.41 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.45 2air n ASP 75 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 2air n SER 76 N -0.46 1.42 -0.69 1.67 3.41 -1.25 -4.06 113.62 113.66 2air n SER 76 Ca 0.00 -1.81 -0.08 0.00 -0.26 0.00 0.00 58.87 56.72 2air n SER 76 Cb 0.00 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 2air n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2air n ALA 77 N 3.21 -0.15 0.24 7.33 0.00 -1.26 -4.88 120.51 125.01 2air n ALA 77 Ca 0.12 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.79 2air n ALA 77 Cb 0.19 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 2air n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2air n ASN 78 N 0.60 0.27 -1.80 0.00 4.13 -1.25 -4.99 115.26 112.23 2air n ASN 78 Ca -0.09 -0.22 0.00 0.00 1.68 0.00 0.00 54.58 55.96 2air n ASN 78 Cb 0.32 1.67 0.00 0.00 -1.54 0.00 0.00 39.78 40.23 2air n ASN 78 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2air n THR 79 N -2.10 0.00 -2.45 3.41 -2.24 -1.26 -5.01 114.28 104.63 2air n THR 79 Ca -0.02 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 2air n THR 79 Cb 0.51 -0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.56 2air n THR 79 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2air n SER 80 N -1.25 3.74 -4.85 3.42 3.41 -1.26 -5.06 113.62 111.77 2air n SER 80 Ca 0.00 -3.33 -0.37 0.00 -0.26 0.00 0.00 58.87 54.91 2air n SER 80 Cb 0.00 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 2air n SER 80 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2air s LEU 81 N -3.49 4.42 -1.63 1.04 1.43 -1.26 -4.57 118.68 114.62 2air s LEU 81 Ca 0.42 0.88 -0.08 0.00 -1.03 0.00 0.00 54.13 54.33 2air s LEU 81 Cb 0.41 -2.74 0.08 0.00 0.03 0.00 0.00 46.19 43.96 2air s LEU 81 CO -0.07 0.26 0.19 0.61 0.23 0.00 0.00 176.35 177.57 2air n GLY 82 N 1.44 -0.21 0.00 -3.19 0.00 -1.26 -4.89 105.19 97.08 2air n GLY 82 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2air n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2air n LYS 83 N -4.35 0.00 0.00 1.61 3.00 -1.26 -4.42 118.16 112.74 2air n LYS 83 Ca -0.18 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 2air n LYS 83 Cb 0.61 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 34.33 2air n LYS 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2air n LYS 84 N -1.95 0.00 -1.34 1.64 4.81 -1.26 -4.86 118.16 115.20 2air n LYS 84 Ca 0.00 0.31 0.03 0.00 -0.87 0.00 0.00 58.31 57.78 2air n LYS 84 Cb 0.00 -0.79 0.01 0.00 0.02 0.00 0.00 35.03 34.27 2air n LYS 84 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2air n GLY 85 N 2.02 0.91 3.63 3.14 0.00 -1.26 -5.07 105.19 108.55 2air n GLY 85 Ca 0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 2air n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2air s GLU 86 N 0.00 3.86 0.72 1.61 2.02 -1.26 -5.00 118.70 120.65 2air s GLU 86 Ca 0.28 1.38 -0.11 0.00 0.02 0.00 0.00 54.97 56.53 2air s GLU 86 Cb 0.32 -3.94 0.03 0.00 0.10 0.00 0.00 34.13 30.64 2air s GLU 86 CO -0.14 -1.20 1.08 0.95 0.02 0.00 0.00 175.26 175.97 2air s THR 87 N 4.71 3.59 0.22 3.63 -4.23 -1.26 -4.38 115.64 117.93 2air s THR 87 Ca 0.62 0.55 -0.04 0.00 -1.18 0.00 0.00 61.69 61.63 2air s THR 87 Cb -0.19 -3.13 0.07 0.00 1.34 0.00 0.00 72.50 70.59 2air s THR 87 CO 0.26 -0.64 1.67 0.25 -0.54 0.00 0.00 174.62 175.62 2air h LEU 88 N -0.79 0.82 -0.29 4.79 5.85 -1.99 -2.55 115.31 121.16 2air h LEU 88 Ca -0.44 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.09 2air h LEU 88 Cb 1.22 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 2air h LEU 88 CO 0.54 0.95 -0.24 0.00 -0.34 0.00 0.00 178.44 179.35 2air h ALA 89 N 1.12 -0.09 -0.83 1.25 0.00 -1.95 -0.01 119.26 118.76 2air h ALA 89 Ca 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2air h ALA 89 Cb 0.61 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2air h ALA 89 CO 0.04 -0.65 0.37 -0.44 0.00 0.00 0.00 179.25 178.57 2air h ASP 90 N -0.22 1.11 -0.08 0.00 5.19 -1.91 0.21 116.42 120.71 2air h ASP 90 Ca 0.15 -0.15 0.02 0.00 -0.62 0.00 0.00 57.03 56.44 2air h ASP 90 Cb 0.46 -0.29 -0.03 0.00 0.18 0.00 0.00 39.33 39.66 2air h ASP 90 CO -0.42 0.95 -0.07 0.74 -3.12 0.00 0.00 179.24 177.33 2air h THR 91 N 1.19 0.80 -0.37 0.35 2.02 -0.90 -1.33 112.91 114.67 2air h THR 91 Ca 0.28 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.44 2air h THR 91 Cb 0.16 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2air h THR 91 CO -0.03 0.00 0.16 0.40 0.37 0.00 0.00 175.52 176.42 2air h ILE 92 N -0.08 1.18 -0.40 3.11 1.08 -0.68 -0.46 117.51 121.26 2air h ILE 92 Ca 0.06 -0.54 0.11 0.00 -0.39 0.00 0.00 64.86 64.10 2air h ILE 92 Cb 0.16 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 2air h ILE 92 CO -0.13 0.20 0.31 0.28 -0.69 0.00 0.00 178.15 178.12 2air h SER 93 N 0.46 0.00 0.00 1.72 0.02 -0.68 0.28 113.55 115.35 2air h SER 93 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2air h SER 93 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2air h SER 93 CO -0.01 0.00 -0.10 0.58 -1.14 0.00 0.00 176.83 176.16 2air h VAL 94 N 0.00 0.00 -0.74 2.27 2.07 -0.44 -3.37 116.25 116.04 2air h VAL 94 Ca 0.19 -0.84 0.15 0.00 0.82 0.00 0.00 66.70 67.02 2air h VAL 94 Cb 0.81 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 2air h VAL 94 CO -0.00 0.00 0.50 0.40 0.02 0.00 0.00 177.57 178.48 2air h ILE 95 N -0.84 0.78 0.00 4.57 2.04 -0.95 0.29 117.51 123.41 2air h ILE 95 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2air h ILE 95 Cb 0.10 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2air h ILE 95 CO 0.00 0.07 0.00 -1.54 0.00 0.00 0.00 178.15 176.68 2air n SER 96 N -4.47 0.00 -0.02 1.72 3.41 0.97 -1.19 113.62 114.04 2air n SER 96 Ca 0.14 0.17 0.11 0.00 -0.26 0.00 0.00 58.87 59.03 2air n SER 96 Cb 0.55 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 2air n SER 96 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2air n THR 97 N -1.32 0.00 -0.11 6.66 -2.24 0.09 -4.50 114.28 112.86 2air n THR 97 Ca 0.05 -0.01 -0.24 0.00 -2.27 0.00 0.00 64.05 61.58 2air n THR 97 Cb 0.11 0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 69.03 2air n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2air n TYR 98 N -1.45 0.54 -3.55 4.78 4.01 -0.34 -5.05 117.16 116.10 2air n TYR 98 Ca 0.05 0.19 -0.20 0.00 -0.16 0.00 0.00 57.90 57.78 2air n TYR 98 Cb 0.34 -1.06 -0.03 0.00 -0.31 0.00 0.00 39.34 38.28 2air n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2air s VAL 99 N -2.47 2.85 -1.14 -0.72 -7.23 -1.07 -5.00 120.40 105.62 2air s VAL 99 Ca -0.33 -1.31 0.24 0.00 -1.81 0.00 0.00 61.98 58.77 2air s VAL 99 Cb 0.10 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 2air s VAL 99 CO 0.58 -0.03 1.28 0.47 -0.31 0.00 0.00 175.10 177.09 2air n ASP 100 N -1.55 0.77 -3.62 4.85 8.00 -0.40 -4.88 116.55 119.73 2air n ASP 100 Ca 0.03 -0.59 -0.08 0.00 0.71 0.00 0.00 54.79 54.86 2air n ASP 100 Cb 0.61 0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 42.10 2air n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2air s ALA 101 N -2.91 -2.01 -0.20 2.24 0.00 -1.24 -4.37 121.76 113.28 2air s ALA 101 Ca 0.12 1.74 -0.01 0.00 0.00 0.00 0.00 51.96 53.81 2air s ALA 101 Cb 0.17 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 22.09 2air s ALA 101 CO 0.72 -0.25 -0.14 0.42 0.00 0.00 0.00 175.76 176.51 2air s ILE 102 N -0.43 2.53 -0.31 0.00 1.01 -0.24 -0.71 121.20 123.05 2air s ILE 102 Ca 0.02 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 2air s ILE 102 Cb -0.03 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.34 2air s ILE 102 CO -0.05 0.48 0.12 -0.69 0.00 0.00 0.00 174.94 174.80 2air s VAL 103 N 1.35 4.22 0.09 2.92 1.01 0.75 -0.30 120.40 130.45 2air s VAL 103 Ca 0.05 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2air s VAL 103 Cb -0.14 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2air s VAL 103 CO -0.09 0.03 -0.20 0.00 0.00 0.00 0.00 175.10 174.84 2air s MET 104 N 1.54 1.13 -0.09 2.72 0.00 -0.93 0.25 119.30 123.92 2air s MET 104 Ca 0.03 -1.08 0.01 0.00 0.00 0.00 0.00 55.69 54.64 2air s MET 104 Cb -0.17 -1.33 0.02 0.00 0.00 0.00 0.00 34.83 33.35 2air s MET 104 CO 0.04 0.31 -0.08 0.50 0.00 0.00 0.00 175.02 175.79 2air s ARG 105 N -1.73 1.46 0.03 3.16 6.06 -0.59 0.02 118.95 127.36 2air s ARG 105 Ca 0.05 -0.27 0.00 0.00 -2.50 0.00 0.00 55.73 53.01 2air s ARG 105 Cb -0.10 -1.41 -0.02 0.00 0.06 0.00 0.00 34.95 33.48 2air s ARG 105 CO 0.03 -0.15 -0.04 -1.58 -2.50 0.00 0.00 175.30 171.07 2air s HIS 106 N 1.29 0.34 0.15 5.12 5.65 0.00 -0.35 115.29 127.49 2air s HIS 106 Ca -0.03 -0.58 0.24 0.00 0.25 0.00 0.00 55.06 54.93 2air s HIS 106 Cb -0.14 -0.24 0.92 0.00 -1.18 0.00 0.00 32.58 31.95 2air s HIS 106 CO -0.03 -0.19 1.83 -1.35 -0.65 0.00 0.00 174.74 174.34 2air h PRO 107 N 4.47 0.00 -5.61 2.88 0.11 -1.89 -0.91 132.00 131.05 2air h PRO 107 Ca -0.33 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.19 2air h PRO 107 Cb 1.20 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.22 2air h PRO 107 CO 0.44 0.23 -0.30 -0.65 -0.21 0.00 0.00 178.00 177.51 2air s GLN 108 N -3.67 4.15 0.55 1.05 -0.21 -1.26 -3.49 119.66 116.77 2air s GLN 108 Ca 0.00 0.16 0.42 0.00 0.02 0.00 0.00 55.36 55.97 2air s GLN 108 Cb 0.10 -3.38 1.63 0.00 1.00 0.00 0.00 33.01 32.36 2air s GLN 108 CO 0.64 0.34 1.70 0.93 -2.12 0.00 0.00 175.29 176.78 2air h GLU 109 N 6.25 0.01 -0.02 2.91 3.07 -1.86 -2.55 114.58 122.38 2air h GLU 109 Ca -0.44 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.42 2air h GLU 109 Cb 1.18 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2air h GLU 109 CO 0.72 0.00 -0.09 0.41 -1.40 0.00 0.00 179.01 178.66 2air n GLY 110 N -1.83 4.88 0.34 -3.84 0.00 -1.26 -4.68 105.19 98.81 2air n GLY 110 Ca 0.34 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 2air n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2air h ALA 111 N 0.30 -0.45 -0.81 4.61 0.00 -1.80 -1.18 119.26 119.92 2air h ALA 111 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2air h ALA 111 Cb 1.04 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 2air h ALA 111 CO 0.02 -0.83 0.54 0.00 0.00 0.00 0.00 179.25 178.97 2air h ALA 112 N 0.29 1.49 -0.46 0.00 0.00 -1.87 0.55 119.26 119.26 2air h ALA 112 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2air h ALA 112 Cb 0.57 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2air h ALA 112 CO -0.31 0.43 -0.18 -0.09 0.00 0.00 0.00 179.25 179.10 2air h ARG 113 N 1.02 0.93 0.11 0.00 2.43 -1.81 -2.24 114.38 114.82 2air h ARG 113 Ca 0.32 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2air h ARG 113 Cb 0.02 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2air h ARG 113 CO -0.09 1.05 -0.05 1.25 -1.51 0.00 0.00 179.97 180.61 2air h LEU 114 N 0.77 -0.13 -1.01 3.80 6.46 -0.57 -2.42 115.31 122.20 2air h LEU 114 Ca 0.11 -0.07 0.28 0.00 -0.12 0.00 0.00 57.88 58.08 2air h LEU 114 Cb 0.75 0.03 -0.14 0.00 -0.73 0.00 0.00 40.66 40.58 2air h LEU 114 CO 0.06 -0.01 0.59 0.00 -0.62 0.00 0.00 178.44 178.45 2air h ALA 115 N 0.65 1.88 -0.65 1.25 0.00 -0.71 0.17 119.26 121.85 2air h ALA 115 Ca -0.02 0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.18 2air h ALA 115 Cb 0.19 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2air h ALA 115 CO 0.03 -0.42 0.44 1.15 0.00 0.00 0.00 179.25 180.44 2air h THR 116 N 0.46 0.82 -0.00 0.00 2.02 -0.89 -1.96 112.91 113.37 2air h THR 116 Ca 0.69 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.75 2air h THR 116 Cb 1.44 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2air h THR 116 CO -0.53 0.06 -0.14 -0.62 0.37 0.00 0.00 175.52 174.66 2air n GLU 117 N -4.46 0.28 0.00 6.66 1.02 0.58 -3.79 120.64 120.93 2air n GLU 117 Ca 0.12 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2air n GLU 117 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2air n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2air n PHE 118 N -1.29 0.00 -0.49 -0.32 3.72 -0.78 -4.78 117.46 113.52 2air n PHE 118 Ca 0.10 -0.31 0.09 0.00 -0.05 0.00 0.00 57.45 57.28 2air n PHE 118 Cb 0.31 -0.03 0.28 0.00 -0.94 0.00 0.00 39.48 39.10 2air n PHE 118 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2air n SER 119 N -0.31 3.98 0.00 4.37 3.41 -0.93 -3.70 113.62 120.43 2air n SER 119 Ca 0.00 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 2air n SER 119 Cb 0.23 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2air n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2air n GLY 120 N 0.85 0.00 4.40 5.00 0.00 -1.26 -0.36 105.19 113.82 2air n GLY 120 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2air n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2air n ASN 121 N 0.55 0.00 -4.67 1.61 3.02 -1.26 -4.95 115.26 109.56 2air n ASN 121 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 2air n ASN 121 Cb 0.00 -0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 2air n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2air s VAL 122 N -0.64 5.01 0.32 2.41 1.01 0.51 -5.04 120.40 123.99 2air s VAL 122 Ca 0.00 1.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.97 2air s VAL 122 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 2air s VAL 122 CO 0.00 0.12 1.15 -2.84 0.00 0.00 0.00 175.10 173.53 2air s PRO 123 N 1.81 4.42 -0.14 2.72 0.02 -1.26 -4.79 135.00 137.78 2air s PRO 123 Ca 0.31 1.87 0.01 0.00 0.02 0.00 0.00 61.00 63.21 2air s PRO 123 Cb -0.16 -3.01 -0.00 0.00 0.02 0.00 0.00 34.50 31.35 2air s PRO 123 CO 0.11 -0.01 -0.18 0.14 -0.33 0.00 0.00 177.00 176.74 2air s VAL 124 N -1.25 2.48 -0.27 3.83 -7.23 -1.26 -1.08 120.40 115.61 2air s VAL 124 Ca 0.49 -0.84 -0.07 0.00 -1.81 0.00 0.00 61.98 59.75 2air s VAL 124 Cb -0.32 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 2air s VAL 124 CO 0.42 0.53 0.07 -0.76 -0.31 0.00 0.00 175.10 175.04 2air s LEU 125 N 0.69 3.61 -0.20 1.32 1.02 0.60 -1.56 118.68 124.16 2air s LEU 125 Ca -0.08 -0.51 -0.29 0.00 0.02 0.00 0.00 54.13 53.27 2air s LEU 125 Cb -0.16 -1.88 -0.02 0.00 0.02 0.00 0.00 46.19 44.15 2air s LEU 125 CO 0.01 -0.12 1.46 0.21 0.02 0.00 0.00 176.35 177.93 2air s ASN 126 N 1.54 6.63 0.00 2.29 2.47 -0.43 -2.19 114.94 125.25 2air s ASN 126 Ca 0.04 1.63 0.23 0.00 0.42 0.00 0.00 52.86 55.18 2air s ASN 126 Cb -0.16 -2.54 0.57 0.00 -1.45 0.00 0.00 41.25 37.68 2air s ASN 126 CO 0.02 -1.04 1.49 0.00 -3.72 0.00 0.00 177.10 173.85 2air n ALA 127 N 7.60 2.40 0.00 1.71 0.00 0.10 -4.30 120.51 128.02 2air n ALA 127 Ca 0.16 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2air n ALA 127 Cb 0.45 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2air n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2air n GLY 128 N 1.61 3.42 2.86 0.00 0.00 -1.24 -4.79 105.19 107.04 2air n GLY 128 Ca 0.23 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 2air n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2air s ASP 129 N 0.00 4.17 0.83 1.61 -4.77 -1.05 -0.81 116.67 116.65 2air s ASP 129 Ca 0.00 -2.44 0.00 0.00 -3.30 0.00 0.00 52.55 46.81 2air s ASP 129 Cb 0.00 -1.31 0.00 0.00 -1.09 0.00 0.00 42.92 40.52 2air s ASP 129 CO 0.00 -0.31 0.00 0.61 0.70 0.00 0.00 175.17 176.17 2air n GLY 130 N 3.83 2.71 0.50 2.12 0.00 -0.35 -1.84 105.19 112.17 2air n GLY 130 Ca 0.05 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.75 2air n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2air n SER 131 N 0.50 1.41 0.00 1.61 3.41 -1.26 -4.68 113.62 114.60 2air n SER 131 Ca 0.00 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 2air n SER 131 Cb 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2air n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2air n ASN 132 N 0.16 0.00 -4.50 4.04 5.15 -0.76 -4.86 115.26 114.48 2air n ASN 132 Ca 0.08 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.76 2air n ASN 132 Cb 0.25 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.39 2air n ASN 132 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2air s GLN 133 N 0.04 1.93 -0.41 1.20 2.00 -1.26 -4.98 119.66 118.18 2air s GLN 133 Ca 0.00 -1.09 0.09 0.00 -2.00 0.00 0.00 55.36 52.35 2air s GLN 133 Cb 0.00 -2.18 0.29 0.00 0.80 0.00 0.00 33.01 31.92 2air s GLN 133 CO 0.00 0.50 0.75 1.58 -0.50 0.00 0.00 175.29 177.62 2air n HIS 134 N 0.96 -1.18 -0.38 1.67 -0.00 -1.26 -2.52 115.22 112.51 2air n HIS 134 Ca -0.15 -3.07 -0.08 0.00 0.46 0.00 0.00 57.72 54.88 2air n HIS 134 Cb 0.52 0.31 -0.06 0.00 -0.12 0.00 0.00 29.99 30.65 2air n HIS 134 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2air n PRO 135 N 0.95 -0.37 0.20 1.57 -0.02 -1.26 -1.73 135.00 134.34 2air n PRO 135 Ca 0.18 1.42 0.06 0.00 -2.02 0.00 0.00 63.50 63.13 2air n PRO 135 Cb 0.62 -2.09 0.52 0.00 -0.02 0.00 0.00 33.50 32.53 2air n PRO 135 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2air h THR 136 N 0.00 1.09 -0.46 3.45 1.35 -1.95 -1.68 112.91 114.72 2air h THR 136 Ca 0.19 -0.41 -0.05 0.00 -0.55 0.00 0.00 66.41 65.59 2air h THR 136 Cb 0.42 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 2air h THR 136 CO -0.89 0.12 0.09 -0.61 -0.25 0.00 0.00 175.52 173.98 2air h GLN 137 N 0.09 0.76 -0.46 4.72 5.75 -1.71 -1.25 115.11 123.00 2air h GLN 137 Ca 0.02 -0.20 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 2air h GLN 137 Cb 0.19 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2air h GLN 137 CO 0.01 0.77 0.08 1.15 -2.65 0.00 0.00 178.83 178.19 2air h THR 138 N 0.63 1.25 -0.82 2.39 2.02 -1.30 -2.06 112.91 115.02 2air h THR 138 Ca 0.14 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.43 2air h THR 138 Cb 0.37 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 2air h THR 138 CO 0.01 0.32 0.54 -0.07 0.37 0.00 0.00 175.52 176.69 2air h LEU 139 N 0.64 0.94 -1.11 2.58 3.38 -1.16 0.01 115.31 120.59 2air h LEU 139 Ca 0.14 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2air h LEU 139 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2air h LEU 139 CO 0.01 0.68 -0.44 0.17 0.09 0.00 0.00 178.44 178.94 2air h LEU 140 N 1.10 0.00 0.06 1.67 8.10 -1.08 -0.54 115.31 124.62 2air h LEU 140 Ca 0.30 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.29 2air h LEU 140 Cb -0.12 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.10 2air h LEU 140 CO -0.07 0.44 -0.03 0.44 -4.11 0.00 0.00 178.44 175.12 2air h ASP 141 N 0.00 -0.07 -0.77 0.17 3.32 -0.59 -1.99 116.42 116.49 2air h ASP 141 Ca -0.00 -0.42 0.04 0.00 0.02 0.00 0.00 57.03 56.67 2air h ASP 141 Cb 0.79 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 2air h ASP 141 CO 0.06 0.40 0.48 -0.07 -1.72 0.00 0.00 179.24 178.38 2air h LEU 142 N -0.56 0.76 -0.70 1.55 3.38 -0.93 -1.08 115.31 117.72 2air h LEU 142 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2air h LEU 142 Cb 0.49 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2air h LEU 142 CO 0.01 0.51 0.44 0.15 0.09 0.00 0.00 178.44 179.64 2air h PHE 143 N 0.90 0.91 -0.50 1.13 3.57 -1.08 0.46 116.94 122.34 2air h PHE 143 Ca 0.32 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 2air h PHE 143 Cb 0.09 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2air h PHE 143 CO -0.04 0.60 0.18 1.15 -2.23 0.00 0.00 178.31 177.96 2air h THR 144 N 0.96 1.22 -0.21 4.41 2.02 -0.63 0.55 112.91 121.23 2air h THR 144 Ca 0.25 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2air h THR 144 Cb -0.06 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2air h THR 144 CO -0.05 0.27 0.06 0.40 0.37 0.00 0.00 175.52 176.57 2air h ILE 145 N 0.67 1.19 -0.31 3.11 2.04 -0.95 -1.01 117.51 122.25 2air h ILE 145 Ca 0.16 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 2air h ILE 145 Cb 0.24 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2air h ILE 145 CO -0.01 0.19 0.18 -0.61 0.00 0.00 0.00 178.15 177.90 2air h GLN 146 N 0.17 0.43 -0.31 2.37 4.15 -0.76 0.50 115.11 121.66 2air h GLN 146 Ca 0.07 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 2air h GLN 146 Cb 0.24 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2air h GLN 146 CO -0.00 0.34 -0.11 1.49 -1.93 0.00 0.00 178.83 178.62 2air h GLU 147 N 0.39 0.52 0.00 1.69 4.81 -0.80 1.03 114.58 122.21 2air h GLU 147 Ca 0.11 -0.15 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 2air h GLU 147 Cb 0.03 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2air h GLU 147 CO -0.02 0.63 -1.40 0.25 -0.73 0.00 0.00 179.01 177.74 2air n THR 148 N -4.20 1.14 0.41 0.32 -2.24 -0.39 -4.24 114.28 105.08 2air n THR 148 Ca 0.01 -0.68 0.08 0.00 -2.27 0.00 0.00 64.05 61.19 2air n THR 148 Cb 0.32 -0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 67.74 2air n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2air n GLN 149 N -2.87 1.09 -0.99 -0.78 1.13 0.17 -4.99 117.38 110.14 2air n GLN 149 Ca -0.09 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 2air n GLN 149 Cb 0.82 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.83 2air n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2air n GLY 150 N 1.46 0.72 3.78 1.08 0.00 0.35 -4.96 105.19 107.62 2air n GLY 150 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2air n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2air s ARG 151 N -0.06 0.78 0.00 1.61 1.70 -1.18 -4.99 118.95 116.81 2air s ARG 151 Ca 0.00 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.79 2air s ARG 151 Cb 0.00 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 2air s ARG 151 CO 0.00 -0.36 0.62 1.28 -1.08 0.00 0.00 175.30 175.76 2air n LEU 152 N -0.61 1.10 -4.56 -1.89 4.77 -1.26 -4.01 117.00 110.54 2air n LEU 152 Ca -0.04 -1.10 -0.24 0.00 -0.03 0.00 0.00 56.01 54.60 2air n LEU 152 Cb 0.61 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.61 2air n LEU 152 CO 0.15 0.28 -0.40 1.51 -1.33 0.00 0.00 177.39 177.60 2air s ASP 153 N -0.37 4.09 -1.33 -1.43 -4.77 -1.26 -4.75 116.67 106.85 2air s ASP 153 Ca 0.00 -0.82 -0.05 0.00 -3.30 0.00 0.00 52.55 48.38 2air s ASP 153 Cb 0.00 -0.59 -0.00 0.00 -1.09 0.00 0.00 42.92 41.24 2air s ASP 153 CO 0.00 0.02 0.54 0.59 0.70 0.00 0.00 175.17 177.02 2air n ASN 154 N -0.73 -1.46 -4.53 2.11 3.02 0.14 -4.90 115.26 108.92 2air n ASN 154 Ca -0.06 -0.98 -0.26 0.00 -0.03 0.00 0.00 54.58 53.25 2air n ASN 154 Cb 0.59 -3.26 -0.10 0.00 -0.61 0.00 0.00 39.78 36.40 2air n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2air s LEU 155 N -6.83 2.71 -0.38 3.41 1.43 -1.25 -4.89 118.68 112.89 2air s LEU 155 Ca 0.10 -1.18 -0.07 0.00 -1.03 0.00 0.00 54.13 51.94 2air s LEU 155 Cb -0.04 -0.99 0.06 0.00 0.03 0.00 0.00 46.19 45.25 2air s LEU 155 CO 0.87 -0.19 0.17 -1.00 0.23 0.00 0.00 176.35 176.44 2air s HIS 156 N -2.62 3.31 -0.18 0.29 3.76 -1.26 -0.11 115.29 118.48 2air s HIS 156 Ca 0.32 -1.51 -0.03 0.00 -0.15 0.00 0.00 55.06 53.69 2air s HIS 156 Cb 0.02 -2.61 -0.02 0.00 1.11 0.00 0.00 32.58 31.08 2air s HIS 156 CO 0.16 -0.79 -0.06 0.08 -0.85 0.00 0.00 174.74 173.29 2air s VAL 157 N 1.40 3.49 -0.10 -0.90 1.01 0.07 0.04 120.40 125.40 2air s VAL 157 Ca 0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2air s VAL 157 Cb -0.21 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2air s VAL 157 CO 0.02 0.47 -0.07 0.00 0.00 0.00 0.00 175.10 175.51 2air s ALA 158 N 0.87 2.91 -0.16 5.51 0.00 0.11 -0.29 121.76 130.71 2air s ALA 158 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2air s ALA 158 Cb -0.15 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.70 2air s ALA 158 CO 0.01 0.41 -0.12 -1.64 0.00 0.00 0.00 175.76 174.43 2air s MET 159 N -0.27 2.11 0.10 0.00 -1.94 -0.15 0.44 119.30 119.59 2air s MET 159 Ca 0.04 -0.62 0.08 0.00 -1.71 0.00 0.00 55.69 53.48 2air s MET 159 Cb -0.13 -2.16 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 2air s MET 159 CO 0.03 -0.31 -0.17 0.08 -0.01 0.00 0.00 175.02 174.64 2air s VAL 160 N 1.48 2.90 0.00 -6.03 1.01 0.16 -1.33 120.40 118.59 2air s VAL 160 Ca 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2air s VAL 160 Cb -0.14 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2air s VAL 160 CO -0.10 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2air n GLY 161 N 0.98 0.39 3.46 4.51 0.00 -0.57 -0.79 105.19 113.18 2air n GLY 161 Ca -0.15 -1.69 -0.44 0.00 0.00 0.00 0.00 46.02 43.74 2air n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2air s ASP 162 N -4.00 6.86 0.03 1.61 3.68 -1.26 -4.34 116.67 119.25 2air s ASP 162 Ca 0.00 -2.54 0.29 0.00 2.13 0.00 0.00 52.55 52.43 2air s ASP 162 Cb 0.00 -2.41 1.18 0.00 -1.45 0.00 0.00 42.92 40.24 2air s ASP 162 CO 0.00 -0.91 1.91 0.18 0.13 0.00 0.00 175.17 176.48 2air n LEU 163 N 6.20 0.12 0.05 -1.34 4.77 -0.91 -2.09 117.00 123.80 2air n LEU 163 Ca 0.32 0.51 -0.21 0.00 -0.03 0.00 0.00 56.01 56.60 2air n LEU 163 Cb 0.46 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.93 2air n LEU 163 CO 0.58 -0.03 -0.10 0.50 -1.33 0.00 0.00 177.39 177.01 2air h LYS 164 N 0.00 0.32 0.00 3.23 3.64 -1.49 -3.39 116.57 118.88 2air h LYS 164 Ca 0.00 -0.55 -0.09 0.00 -1.27 0.00 0.00 60.65 58.74 2air h LYS 164 Cb 0.53 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 2air h LYS 164 CO 0.00 1.26 -1.94 0.66 -2.27 0.00 0.00 179.45 177.16 2air n TYR 165 N -4.02 0.00 -1.75 1.91 4.01 -1.25 -4.83 117.16 111.23 2air n TYR 165 Ca -0.17 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.39 2air n TYR 165 Cb 0.88 -0.55 -0.06 0.00 -0.31 0.00 0.00 39.34 39.30 2air n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2air s GLY 166 N -4.42 -0.47 0.00 2.72 0.00 -0.89 -4.71 107.32 99.55 2air s GLY 166 Ca -0.07 -1.11 0.11 0.00 0.00 0.00 0.00 44.72 43.65 2air s GLY 166 CO 0.75 3.96 1.24 0.54 0.00 0.00 0.00 173.10 179.59 2air n ARG 167 N 8.79 0.14 -0.07 2.90 5.12 -1.26 -1.88 116.66 130.40 2air n ARG 167 Ca 0.44 0.20 -0.14 0.00 -1.93 0.00 0.00 57.85 56.41 2air n ARG 167 Cb 0.45 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.19 2air n ARG 167 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2air h THR 168 N 0.00 1.30 0.00 0.55 1.03 -1.94 -2.71 112.91 111.14 2air h THR 168 Ca 0.00 -1.62 -0.04 0.00 -0.01 0.00 0.00 66.41 64.74 2air h THR 168 Cb 0.10 1.73 -0.01 0.00 -1.07 0.00 0.00 68.15 68.91 2air h THR 168 CO 0.00 0.52 -0.24 -0.37 -0.01 0.00 0.00 175.52 175.41 2air h VAL 169 N 0.45 0.34 -0.11 0.00 -1.51 -1.76 -2.40 116.25 111.26 2air h VAL 169 Ca 0.02 -1.49 -0.04 0.00 -1.23 0.00 0.00 66.70 63.96 2air h VAL 169 Cb 1.02 2.15 -0.00 0.00 -2.13 0.00 0.00 31.29 32.33 2air h VAL 169 CO 0.10 0.20 -0.10 0.45 -1.23 0.00 0.00 177.57 176.98 2air h HIS 170 N 0.00 0.31 -0.61 5.19 -0.00 -1.51 -0.45 115.15 118.09 2air h HIS 170 Ca -0.00 -0.09 -0.09 0.00 -0.00 0.00 0.00 60.37 60.19 2air h HIS 170 Cb 1.16 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.48 2air h HIS 170 CO 0.00 0.67 0.04 1.03 -0.00 0.00 0.00 177.93 179.67 2air h SER 171 N -0.13 1.00 -0.09 2.45 0.87 -1.52 -1.76 113.55 114.37 2air h SER 171 Ca 0.02 -0.26 -0.17 0.00 -1.23 0.00 0.00 61.79 60.15 2air h SER 171 Cb 0.61 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2air h SER 171 CO 0.03 1.03 -0.55 0.25 -0.53 0.00 0.00 176.83 177.05 2air h LEU 172 N 0.96 0.75 -0.27 2.23 5.85 -1.42 -1.23 115.31 122.18 2air h LEU 172 Ca 0.18 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 2air h LEU 172 Cb 0.49 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2air h LEU 172 CO 0.02 1.15 0.08 0.74 -0.34 0.00 0.00 178.44 180.09 2air h THR 173 N 0.52 1.20 -0.53 1.05 2.02 -0.93 -1.53 112.91 114.71 2air h THR 173 Ca 0.01 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 2air h THR 173 Cb 1.12 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 2air h THR 173 CO 0.11 0.21 0.07 1.56 0.37 0.00 0.00 175.52 177.84 2air h GLN 174 N 0.26 0.84 -0.31 6.66 4.20 -1.29 -1.70 115.11 123.77 2air h GLN 174 Ca 0.09 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2air h GLN 174 Cb 0.24 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2air h GLN 174 CO -0.00 0.80 0.12 0.00 -0.67 0.00 0.00 178.83 179.07 2air h ALA 175 N 1.28 0.41 0.00 3.87 0.00 -0.99 -2.72 119.26 121.10 2air h ALA 175 Ca 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2air h ALA 175 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2air h ALA 175 CO 0.01 0.01 -0.21 -0.07 0.00 0.00 0.00 179.25 178.99 2air h LEU 176 N 0.35 0.00 0.00 0.00 3.38 -1.15 -2.49 115.31 115.40 2air h LEU 176 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2air h LEU 176 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2air h LEU 176 CO -0.01 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.73 2air n ALA 177 N -2.24 2.42 0.58 1.53 0.00 -0.65 -1.87 120.51 120.27 2air n ALA 177 Ca -0.00 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2air n ALA 177 Cb 0.38 -1.28 0.19 0.00 0.00 0.00 0.00 19.45 18.75 2air n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2air n LYS 178 N -0.82 2.42 -4.42 0.00 5.02 -0.94 -4.89 118.16 114.53 2air n LYS 178 Ca 0.13 -2.12 -0.23 0.00 -2.02 0.00 0.00 58.31 54.07 2air n LYS 178 Cb 0.06 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 2air n LYS 178 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2air s PHE 179 N -1.67 2.09 0.26 2.13 0.08 -0.78 -4.94 117.98 115.15 2air s PHE 179 Ca 0.35 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.97 2air s PHE 179 Cb 0.22 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.68 2air s PHE 179 CO 0.31 0.56 0.49 -0.51 -0.10 0.00 0.00 175.22 175.97 2air s ASP 180 N -3.29 6.40 -1.00 1.36 1.01 -1.26 -4.56 116.67 115.33 2air s ASP 180 Ca 0.26 0.54 0.00 0.00 0.71 0.00 0.00 52.55 54.06 2air s ASP 180 Cb -0.04 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.82 2air s ASP 180 CO 0.11 -0.15 0.00 0.61 0.21 0.00 0.00 175.17 175.96 2air n GLY 181 N -0.96 1.03 3.78 0.21 0.00 -1.26 0.26 105.19 108.25 2air n GLY 181 Ca -0.03 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2air n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2air s ASN 182 N -2.57 7.39 -0.09 1.61 0.02 -1.26 -3.51 114.94 116.53 2air s ASN 182 Ca 0.00 1.77 0.03 0.00 -1.02 0.00 0.00 52.86 53.65 2air s ASN 182 Cb 0.00 -2.55 -0.01 0.00 0.02 0.00 0.00 41.25 38.71 2air s ASN 182 CO 0.00 0.06 -0.20 -0.60 0.02 0.00 0.00 177.10 176.37 2air s ARG 183 N -1.65 2.98 0.02 -0.60 3.52 0.84 -4.13 118.95 119.93 2air s ARG 183 Ca 0.44 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 55.24 2air s ARG 183 Cb -0.21 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.78 2air s ARG 183 CO 0.26 0.27 0.02 -0.06 -0.81 0.00 0.00 175.30 174.98 2air s PHE 184 N 0.13 3.10 -0.17 5.12 0.08 -0.32 -0.75 117.98 125.18 2air s PHE 184 Ca -0.11 0.09 -0.00 0.00 0.12 0.00 0.00 56.93 57.03 2air s PHE 184 Cb -0.16 -1.66 0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2air s PHE 184 CO 0.06 0.48 -0.06 0.71 -0.10 0.00 0.00 175.22 176.31 2air s TYR 185 N -1.15 1.81 -0.34 0.36 2.02 0.61 -1.77 117.35 118.89 2air s TYR 185 Ca 0.22 -1.17 -0.10 0.00 -0.37 0.00 0.00 57.07 55.65 2air s TYR 185 Cb -0.12 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2air s TYR 185 CO 0.13 -0.64 0.16 -0.06 -1.57 0.00 0.00 175.55 173.57 2air s PHE 186 N 1.60 3.20 -0.30 2.71 0.08 0.03 -0.98 117.98 124.32 2air s PHE 186 Ca 0.00 -0.83 -0.02 0.00 0.12 0.00 0.00 56.93 56.20 2air s PHE 186 Cb -0.15 -2.37 0.05 0.00 -0.57 0.00 0.00 43.02 39.97 2air s PHE 186 CO -0.08 -0.56 0.01 0.42 -0.10 0.00 0.00 175.22 174.91 2air s ILE 187 N 1.56 3.05 -0.03 0.64 1.09 -0.44 -1.73 121.20 125.35 2air s ILE 187 Ca 0.03 -1.36 -0.29 0.00 -1.10 0.00 0.00 60.65 57.93 2air s ILE 187 Cb -0.18 -2.75 0.08 0.00 -1.06 0.00 0.00 42.46 38.55 2air s ILE 187 CO 0.06 -0.11 0.73 0.00 -0.10 0.00 0.00 174.94 175.52 2air s ALA 188 N 1.27 -1.77 0.50 9.38 0.00 -1.26 -1.51 121.76 128.37 2air s ALA 188 Ca -0.05 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 52.90 2air s ALA 188 Cb -0.20 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 2air s ALA 188 CO -0.01 -0.44 1.24 -1.25 0.00 0.00 0.00 175.76 175.30 2air s PRO 189 N -1.70 3.49 0.38 0.00 0.04 -1.26 -4.76 135.00 131.19 2air s PRO 189 Ca -0.07 1.95 0.20 0.00 0.04 0.00 0.00 61.00 63.12 2air s PRO 189 Cb -0.00 -2.32 1.22 0.00 0.04 0.00 0.00 34.50 33.43 2air s PRO 189 CO 0.04 -0.82 1.66 -0.44 0.04 0.00 0.00 177.00 177.48 2air h ASP 190 N 1.77 0.41 0.41 6.66 3.32 -1.99 0.39 116.42 127.39 2air h ASP 190 Ca -0.50 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2air h ASP 190 Cb 1.27 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2air h ASP 190 CO 0.59 -0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.97 2air n ALA 191 N -2.39 2.09 -2.77 3.45 0.00 -1.26 -3.37 120.51 116.26 2air n ALA 191 Ca 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.64 2air n ALA 191 Cb 1.13 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 19.28 2air n ALA 191 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2air n LEU 192 N -1.30 1.78 -4.86 0.00 4.77 0.14 -4.97 117.00 112.56 2air n LEU 192 Ca 0.10 -3.23 -0.31 0.00 -0.03 0.00 0.00 56.01 52.54 2air n LEU 192 Cb 0.17 0.42 0.03 0.00 -2.33 0.00 0.00 43.42 41.71 2air n LEU 192 CO 0.16 1.17 0.72 0.00 -1.33 0.00 0.00 177.39 178.12 2air s ALA 193 N -3.71 2.96 0.33 -1.18 0.00 -1.08 -2.14 121.76 116.93 2air s ALA 193 Ca 0.29 -0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.85 2air s ALA 193 Cb 0.34 -3.09 -0.13 0.00 0.00 0.00 0.00 23.12 20.25 2air s ALA 193 CO -0.03 -0.90 1.24 -0.12 0.00 0.00 0.00 175.76 175.95 2air n MET 194 N -2.89 1.96 -2.11 0.00 1.56 -1.26 -3.29 117.12 111.10 2air n MET 194 Ca 0.06 0.69 -0.36 0.00 -0.27 0.00 0.00 57.70 57.82 2air n MET 194 Cb 0.55 -2.23 0.02 0.00 2.15 0.00 0.00 33.22 33.70 2air n MET 194 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 2air s PRO 195 N -1.73 3.30 0.40 2.12 0.02 -1.26 -4.93 135.00 132.92 2air s PRO 195 Ca 0.57 1.82 0.07 0.00 0.02 0.00 0.00 61.00 63.48 2air s PRO 195 Cb -0.60 -2.13 0.84 0.00 0.02 0.00 0.00 34.50 32.63 2air s PRO 195 CO 0.61 -0.94 2.03 0.37 -0.33 0.00 0.00 177.00 178.75 2air h GLN 196 N 1.37 0.50 0.00 5.54 5.75 -2.00 -2.10 115.11 124.17 2air h GLN 196 Ca -0.50 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 57.93 2air h GLN 196 Cb 1.28 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.72 2air h GLN 196 CO 0.57 0.37 -0.13 0.10 -2.65 0.00 0.00 178.83 177.09 2air h TYR 197 N 0.51 0.00 -0.01 3.99 -0.00 -1.99 0.28 116.97 119.76 2air h TYR 197 Ca 0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 58.73 58.64 2air h TYR 197 Cb 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 36.76 2air h TYR 197 CO 0.00 0.13 -0.86 0.82 -0.00 0.00 0.00 178.16 178.24 2air h ILE 198 N 0.00 1.34 -0.55 -0.90 1.08 -1.76 -2.63 117.51 114.09 2air h ILE 198 Ca -0.00 -2.17 -0.11 0.00 -0.39 0.00 0.00 64.86 62.19 2air h ILE 198 Cb 0.27 2.45 -0.02 0.00 -3.07 0.00 0.00 36.82 36.45 2air h ILE 198 CO 0.02 0.66 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.96 2air h LEU 199 N 0.21 1.03 -0.64 1.44 3.38 -1.21 -1.95 115.31 117.56 2air h LEU 199 Ca -0.11 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.60 2air h LEU 199 Cb 1.54 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 2air h LEU 199 CO 0.17 1.13 0.31 0.44 0.09 0.00 0.00 178.44 180.58 2air h ASP 200 N 0.92 0.41 -0.59 -0.43 3.32 -0.47 -0.12 116.42 119.46 2air h ASP 200 Ca 0.14 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2air h ASP 200 Cb 0.67 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 2air h ASP 200 CO 0.05 0.25 0.27 -0.03 -1.72 0.00 0.00 179.24 178.06 2air h MET 201 N 0.56 0.86 -0.69 3.56 4.05 -1.07 -1.65 114.93 120.55 2air h MET 201 Ca 0.31 -0.13 -0.06 0.00 -0.28 0.00 0.00 59.70 59.54 2air h MET 201 Cb 0.29 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 2air h MET 201 CO -0.24 0.70 0.21 -0.07 0.23 0.00 0.00 176.91 177.75 2air h LEU 202 N 0.81 0.99 0.05 3.39 3.38 -0.59 -2.71 115.31 120.63 2air h LEU 202 Ca 0.20 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2air h LEU 202 Cb 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2air h LEU 202 CO -0.02 0.93 -0.03 0.44 0.09 0.00 0.00 178.44 179.85 2air h ASP 203 N 1.02 -0.06 0.22 -0.43 3.32 -0.69 0.23 116.42 120.03 2air h ASP 203 Ca 0.22 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2air h ASP 203 Cb 0.30 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2air h ASP 203 CO -0.01 0.06 0.00 -1.84 -1.72 0.00 0.00 179.24 175.73 2air n GLU 204 N -5.07 0.07 -0.11 3.56 0.28 -0.65 0.22 120.64 118.93 2air n GLU 204 Ca -0.08 0.47 0.07 0.00 -0.16 0.00 0.00 57.16 57.46 2air n GLU 204 Cb 0.10 -1.68 0.12 0.00 1.43 0.00 0.00 31.44 31.41 2air n GLU 204 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2air n LYS 205 N -1.82 1.88 -2.74 3.44 5.02 -1.01 -4.97 118.16 117.97 2air n LYS 205 Ca 0.01 -1.73 -0.20 0.00 -2.02 0.00 0.00 58.31 54.36 2air n LYS 205 Cb 0.08 -1.29 0.02 0.00 -0.02 0.00 0.00 35.03 33.82 2air n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2air n GLY 206 N 0.71 -0.44 3.81 0.72 0.00 0.13 -4.99 105.19 105.13 2air n GLY 206 Ca 0.11 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2air n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2air s ILE 207 N -3.08 4.86 0.05 -0.61 1.01 0.75 -5.00 121.20 119.17 2air s ILE 207 Ca 0.17 1.11 -0.29 0.00 0.00 0.00 0.00 60.65 61.64 2air s ILE 207 Cb -0.08 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2air s ILE 207 CO 0.21 0.53 0.92 0.00 0.00 0.00 0.00 174.94 176.60 2air s ALA 208 N -0.89 3.24 -0.07 9.38 0.00 -1.26 -4.51 121.76 127.66 2air s ALA 208 Ca 0.28 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.56 2air s ALA 208 Cb -0.18 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2air s ALA 208 CO 0.17 -0.09 0.37 1.67 0.00 0.00 0.00 175.76 177.88 2air s TRP 209 N 0.42 -0.32 0.03 0.00 1.48 -1.26 -1.17 118.94 118.11 2air s TRP 209 Ca 0.47 0.66 -0.04 0.00 -1.06 0.00 0.00 56.10 56.12 2air s TRP 209 Cb -0.22 0.14 -0.01 0.00 -1.16 0.00 0.00 33.47 32.22 2air s TRP 209 CO 0.27 -0.33 0.06 -1.54 -4.06 0.00 0.00 176.95 171.35 2air s SER 210 N -0.69 0.20 0.02 -2.66 1.04 -0.73 -4.97 113.70 105.91 2air s SER 210 Ca -0.08 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 2air s SER 210 Cb -0.04 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 2air s SER 210 CO 0.03 -0.44 0.25 -0.76 0.98 0.00 0.00 173.24 173.30 2air s LEU 211 N -1.92 4.36 0.03 2.42 1.43 -1.26 -0.79 118.68 122.94 2air s LEU 211 Ca -0.08 0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2air s LEU 211 Cb -0.03 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.43 2air s LEU 211 CO -0.03 0.22 0.17 -1.00 0.23 0.00 0.00 176.35 175.94 2air s HIS 212 N -1.37 0.08 -0.17 0.29 3.76 -0.70 -4.91 115.29 112.27 2air s HIS 212 Ca 0.30 -0.30 0.21 0.00 -0.15 0.00 0.00 55.06 55.12 2air s HIS 212 Cb -0.13 -0.06 -0.11 0.00 1.11 0.00 0.00 32.58 33.40 2air s HIS 212 CO 0.19 -0.39 0.85 0.43 -0.85 0.00 0.00 174.74 174.96 2air n SER 213 N 0.82 0.65 -4.02 1.40 7.64 -1.26 -4.00 113.62 114.85 2air n SER 213 Ca -0.19 0.26 -0.09 0.00 1.01 0.00 0.00 58.87 59.86 2air n SER 213 Cb 0.58 0.71 -0.11 0.00 -1.01 0.00 0.00 64.21 64.39 2air n SER 213 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2air s SER 214 N -5.29 0.38 0.09 6.43 0.15 -1.26 -4.85 113.70 109.35 2air s SER 214 Ca -0.03 -0.65 -0.18 0.00 0.70 0.00 0.00 55.95 55.79 2air s SER 214 Cb 0.10 0.12 -0.08 0.00 -1.71 0.00 0.00 66.02 64.45 2air s SER 214 CO 0.82 -0.37 1.53 0.40 1.20 0.00 0.00 173.24 176.81 2air h ILE 215 N 4.20 1.25 -0.21 6.45 5.03 -1.93 -2.84 117.51 129.46 2air h ILE 215 Ca -0.33 -0.90 0.06 0.00 -0.12 0.00 0.00 64.86 63.57 2air h ILE 215 Cb 1.19 1.34 -0.01 0.00 -3.03 0.00 0.00 36.82 36.31 2air h ILE 215 CO 0.48 0.28 0.39 -0.33 -0.68 0.00 0.00 178.15 178.30 2air h GLU 216 N 0.23 0.00 0.00 2.37 4.39 -1.96 0.70 114.58 120.31 2air h GLU 216 Ca 0.07 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2air h GLU 216 Cb 0.41 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2air h GLU 216 CO 0.01 0.00 -0.08 1.49 -1.16 0.00 0.00 179.01 179.27 2air h GLU 217 N 0.00 0.00 0.00 2.33 4.81 -1.93 -3.26 114.58 116.53 2air h GLU 217 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2air h GLU 217 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2air h GLU 217 CO -0.00 0.08 0.00 1.33 -0.73 0.00 0.00 179.01 179.69 2air n VAL 218 N -3.70 0.05 -0.45 0.32 0.24 0.04 -4.86 118.33 109.97 2air n VAL 218 Ca -0.02 -0.10 0.37 0.00 -2.04 0.00 0.00 64.34 62.55 2air n VAL 218 Cb 0.19 1.57 0.68 0.00 -1.47 0.00 0.00 33.84 34.82 2air n VAL 218 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 2air h MET 219 N 0.00 0.10 -0.00 7.34 -1.53 -1.07 0.16 114.93 119.93 2air h MET 219 Ca 0.00 -0.01 -0.08 0.00 -3.44 0.00 0.00 59.70 56.17 2air h MET 219 Cb 0.56 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.58 2air h MET 219 CO 0.00 0.07 -0.40 0.00 0.14 0.00 0.00 176.91 176.72 2air h ALA 220 N 1.44 1.34 0.00 0.39 0.00 -1.83 -3.30 119.26 117.30 2air h ALA 220 Ca 0.75 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 55.03 2air h ALA 220 Cb 2.56 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 20.24 2air h ALA 220 CO -0.23 0.50 -1.83 0.39 0.00 0.00 0.00 179.25 178.09 2air n GLU 221 N -4.06 0.65 -1.87 0.00 1.02 0.56 -4.53 120.64 112.40 2air n GLU 221 Ca -0.02 0.16 -0.41 0.00 -0.02 0.00 0.00 57.16 56.87 2air n GLU 221 Cb 0.43 -1.71 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 2air n GLU 221 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2air s VAL 222 N -2.72 2.30 -0.19 2.62 0.11 -1.10 -4.72 120.40 116.70 2air s VAL 222 Ca -0.06 0.25 0.09 0.00 -2.93 0.00 0.00 61.98 59.34 2air s VAL 222 Cb 0.08 -3.16 -0.22 0.00 -1.53 0.00 0.00 36.38 31.55 2air s VAL 222 CO 0.83 0.04 0.08 0.47 -3.33 0.00 0.00 175.10 173.19 2air n ASP 223 N 2.31 1.03 -3.92 3.54 8.00 0.11 -4.51 116.55 123.11 2air n ASP 223 Ca 0.08 0.03 -0.23 0.00 0.71 0.00 0.00 54.79 55.38 2air n ASP 223 Cb 0.38 0.17 -0.17 0.00 -0.02 0.00 0.00 41.12 41.49 2air n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2air s ILE 224 N -2.52 0.79 -0.48 0.53 -1.09 -0.86 -2.37 121.20 115.20 2air s ILE 224 Ca -0.19 -0.23 -0.05 0.00 -2.23 0.00 0.00 60.65 57.95 2air s ILE 224 Cb 0.07 -0.80 0.13 0.00 -1.58 0.00 0.00 42.46 40.28 2air s ILE 224 CO 0.74 0.30 0.31 -0.22 -1.23 0.00 0.00 174.94 174.84 2air s LEU 225 N 1.15 5.42 -0.50 2.97 2.96 -0.32 -0.71 118.68 129.65 2air s LEU 225 Ca -0.07 -2.19 -0.23 0.00 -0.22 0.00 0.00 54.13 51.42 2air s LEU 225 Cb -0.14 -1.90 0.04 0.00 0.50 0.00 0.00 46.19 44.69 2air s LEU 225 CO -0.01 -0.55 0.82 -0.47 -1.32 0.00 0.00 176.35 174.82 2air s TYR 226 N 0.92 2.92 -0.09 5.38 5.04 0.17 -0.88 117.35 130.81 2air s TYR 226 Ca 0.10 -0.02 -0.19 0.00 -2.44 0.00 0.00 57.07 54.51 2air s TYR 226 Cb -0.23 -3.80 -0.04 0.00 0.35 0.00 0.00 41.96 38.24 2air s TYR 226 CO -0.03 -1.14 0.53 -1.64 -1.34 0.00 0.00 175.55 171.92 2air s MET 227 N 3.44 4.34 0.30 4.97 -1.94 0.15 -0.67 119.30 129.90 2air s MET 227 Ca 0.28 0.55 0.08 0.00 -1.71 0.00 0.00 55.69 54.89 2air s MET 227 Cb -0.13 -3.42 -0.04 0.00 2.01 0.00 0.00 34.83 33.25 2air s MET 227 CO 0.20 0.18 0.14 -0.08 -0.01 0.00 0.00 175.02 175.45 2air s THR 228 N 0.51 3.54 0.14 2.05 -1.32 0.03 -3.90 115.64 116.69 2air s THR 228 Ca 0.28 -1.63 -0.28 0.00 -1.21 0.00 0.00 61.69 58.85 2air s THR 228 Cb -0.16 -3.07 -0.07 0.00 -1.51 0.00 0.00 72.50 67.69 2air s THR 228 CO 0.12 -0.27 0.90 -0.13 -2.21 0.00 0.00 174.62 173.03 2air s ARG 229 N -3.83 4.69 -0.38 7.08 0.52 -1.26 -4.66 118.95 121.11 2air s ARG 229 Ca 0.35 1.35 -0.02 0.00 -0.52 0.00 0.00 55.73 56.90 2air s ARG 229 Cb -0.05 -3.33 0.09 0.00 0.52 0.00 0.00 34.95 32.18 2air s ARG 229 CO 0.23 0.36 0.14 0.08 0.02 0.00 0.00 175.30 176.13 2air s VAL 230 N -0.48 3.13 0.16 3.52 1.01 -1.26 -4.25 120.40 122.23 2air s VAL 230 Ca 0.42 -1.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.17 2air s VAL 230 Cb -0.23 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 2air s VAL 230 CO 0.29 -0.54 1.40 -1.10 0.00 0.00 0.00 175.10 175.14 2air s GLN 231 N 1.14 4.31 0.16 2.72 -0.21 -1.26 -4.93 119.66 121.60 2air s GLN 231 Ca 0.05 2.14 -0.15 0.00 0.02 0.00 0.00 55.36 57.43 2air s GLN 231 Cb -0.22 -3.20 0.06 0.00 1.00 0.00 0.00 33.01 30.65 2air s GLN 231 CO -0.04 -0.41 1.80 0.87 -2.12 0.00 0.00 175.29 175.39 2air h LYS 232 N 6.18 0.51 0.00 2.91 1.79 -1.98 -2.18 116.57 123.81 2air h LYS 232 Ca -0.43 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2air h LYS 232 Cb 1.21 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 2air h LYS 232 CO 0.84 0.33 0.25 1.05 -1.08 0.00 0.00 179.45 180.84 2air h GLU 233 N 0.52 0.00 0.00 3.15 4.11 -1.99 -3.24 114.58 117.13 2air h GLU 233 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2air h GLU 233 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2air h GLU 233 CO -0.08 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.54 2air n ARG 234 N -2.62 0.00 -0.35 1.06 3.00 -0.82 -4.91 116.66 112.01 2air n ARG 234 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.79 2air n ARG 234 Cb 0.29 -0.85 0.02 0.00 0.00 0.00 0.00 32.46 31.92 2air n ARG 234 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2air n LEU 235 N -0.41 0.00 -4.80 0.55 4.77 -1.22 -5.06 117.00 110.83 2air n LEU 235 Ca 0.00 -0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.42 2air n LEU 235 Cb 0.00 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 2air n LEU 235 CO 0.00 -0.61 0.56 -0.62 -1.33 0.00 0.00 177.39 175.39 2air s ASP 236 N -1.61 7.16 0.29 -1.43 2.15 -1.26 -4.85 116.67 117.12 2air s ASP 236 Ca 0.09 1.65 0.05 0.00 0.43 0.00 0.00 52.55 54.77 2air s ASP 236 Cb -0.00 -2.51 0.73 0.00 -0.30 0.00 0.00 42.92 40.83 2air s ASP 236 CO 0.07 -0.09 1.74 -0.65 -0.17 0.00 0.00 175.17 176.07 2air h PRO 237 N 3.01 0.57 -0.01 4.34 0.11 -1.97 0.38 132.00 138.42 2air h PRO 237 Ca -0.47 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.42 2air h PRO 237 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2air h PRO 237 CO 0.65 0.37 -0.79 0.77 -0.21 0.00 0.00 178.00 178.78 2air h SER 238 N 0.58 0.21 0.51 -2.05 0.02 -2.00 -2.98 113.55 107.85 2air h SER 238 Ca 0.56 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.33 2air h SER 238 Cb 0.97 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.46 2air h SER 238 CO -0.44 0.92 -0.25 -0.08 -1.14 0.00 0.00 176.83 175.84 2air h GLU 239 N 0.10 -0.66 0.00 3.45 4.81 -0.95 -2.06 114.58 119.27 2air h GLU 239 Ca -0.03 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2air h GLU 239 Cb 1.39 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.92 2air h GLU 239 CO 0.12 -0.43 0.00 0.98 -0.73 0.00 0.00 179.01 178.95 2air n TYR 240 N -5.37 0.00 -0.34 0.92 4.19 1.00 -1.80 117.16 115.75 2air n TYR 240 Ca -0.12 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.16 2air n TYR 240 Cb 0.29 -0.50 0.15 0.00 0.49 0.00 0.00 39.34 39.78 2air n TYR 240 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2air h ALA 241 N -1.30 0.71 -0.04 2.98 0.00 -1.54 1.01 119.26 121.08 2air h ALA 241 Ca 0.00 0.37 0.01 0.00 0.00 0.00 0.00 54.91 55.29 2air h ALA 241 Cb 0.00 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2air h ALA 241 CO 0.00 -0.41 0.04 -0.91 0.00 0.00 0.00 179.25 177.97 2air h ASN 242 N 0.00 0.00 0.00 0.00 2.35 -0.62 -3.21 115.58 114.10 2air h ASN 242 Ca 0.48 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 56.01 2air h ASN 242 Cb 0.78 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.11 2air h ASN 242 CO -0.97 0.00 -1.82 1.33 -1.65 0.00 0.00 177.43 174.32 2air n VAL 243 N -3.92 0.83 -0.67 2.81 0.24 0.27 -4.43 118.33 113.46 2air n VAL 243 Ca -0.02 -0.43 0.50 0.00 -2.04 0.00 0.00 64.34 62.36 2air n VAL 243 Cb 0.13 -0.83 0.78 0.00 -1.47 0.00 0.00 33.84 32.44 2air n VAL 243 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2air n LYS 244 N -2.65 -0.00 0.00 7.34 2.85 0.28 -3.98 118.16 122.00 2air n LYS 244 Ca -0.22 1.05 0.00 0.00 -1.05 0.00 0.00 58.31 58.08 2air n LYS 244 Cb 0.84 -2.39 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 2air n LYS 244 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2air n ALA 245 N -2.86 0.00 -0.16 0.58 0.00 -1.25 -0.99 120.51 115.83 2air n ALA 245 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2air n ALA 245 Cb 1.90 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.35 2air n ALA 245 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2air n GLN 246 N 0.00 1.87 0.00 0.00 7.27 -1.26 -4.56 117.38 120.70 2air n GLN 246 Ca 0.00 -1.16 0.00 0.00 0.07 0.00 0.00 57.00 55.91 2air n GLN 246 Cb 0.00 -0.92 0.00 0.00 2.41 0.00 0.00 30.24 31.73 2air n GLN 246 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2air n PHE 247 N -0.34 0.00 -5.23 3.69 3.72 -0.16 -4.32 117.46 114.82 2air n PHE 247 Ca 0.00 -0.09 -0.31 0.00 -0.05 0.00 0.00 57.45 57.00 2air n PHE 247 Cb 0.24 -0.10 -0.16 0.00 -0.94 0.00 0.00 39.48 38.52 2air n PHE 247 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2air s VAL 248 N -0.61 2.21 -0.09 -4.37 1.01 -1.23 -4.73 120.40 112.59 2air s VAL 248 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 2air s VAL 248 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2air s VAL 248 CO 0.00 0.58 0.00 -0.22 0.00 0.00 0.00 175.10 175.46 2air s LEU 249 N -0.49 3.58 0.06 3.92 2.96 0.15 -5.00 118.68 123.87 2air s LEU 249 Ca 0.06 0.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 2air s LEU 249 Cb -0.11 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2air s LEU 249 CO 0.01 0.36 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.68 2air s ARG 250 N -0.76 0.73 0.34 1.98 3.52 -1.26 -1.32 118.95 122.17 2air s ARG 250 Ca 0.12 -0.91 0.12 0.00 -0.13 0.00 0.00 55.73 54.92 2air s ARG 250 Cb -0.12 -0.61 0.95 0.00 -1.56 0.00 0.00 34.95 33.61 2air s ARG 250 CO 0.02 0.13 1.73 0.00 -0.81 0.00 0.00 175.30 176.37 2air h ALA 251 N 4.27 1.90 -0.68 6.12 0.00 -1.85 0.48 119.26 129.51 2air h ALA 251 Ca -0.39 0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.77 2air h ALA 251 Cb 1.19 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2air h ALA 251 CO 0.42 -0.37 0.46 1.03 0.00 0.00 0.00 179.25 180.79 2air h SER 252 N 0.53 0.34 0.54 0.00 0.87 -1.96 -1.15 113.55 112.72 2air h SER 252 Ca 0.64 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 2air h SER 252 Cb 1.32 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2air h SER 252 CO -0.44 0.19 0.00 0.47 -0.53 0.00 0.00 176.83 176.52 2air n ASP 253 N -4.46 0.20 -1.07 6.23 8.00 0.16 -3.18 116.55 122.43 2air n ASP 253 Ca 0.12 0.55 0.08 0.00 0.71 0.00 0.00 54.79 56.26 2air n ASP 253 Cb 0.49 -0.59 0.25 0.00 -0.02 0.00 0.00 41.12 41.24 2air n ASP 253 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2air n LEU 254 N -1.72 3.11 -0.28 0.64 4.77 -0.44 -4.55 117.00 118.53 2air n LEU 254 Ca 0.03 -1.56 0.06 0.00 -0.03 0.00 0.00 56.01 54.51 2air n LEU 254 Cb 0.18 -0.40 0.21 0.00 -2.33 0.00 0.00 43.42 41.08 2air n LEU 254 CO 0.15 0.70 1.07 1.12 -1.33 0.00 0.00 177.39 179.09 2air h HIS 255 N 3.13 0.67 -0.71 -1.77 2.07 -1.72 -2.76 115.15 114.05 2air h HIS 255 Ca 0.00 0.03 -0.48 0.00 -2.85 0.00 0.00 60.37 57.07 2air h HIS 255 Cb 0.84 -0.17 -0.30 0.00 2.57 0.00 0.00 27.41 30.35 2air h HIS 255 CO 0.42 0.14 -0.11 0.27 -3.07 0.00 0.00 177.93 175.58 2air n ASN 256 N -4.92 4.96 -4.87 3.10 6.94 -1.26 -5.04 115.26 114.17 2air n ASN 256 Ca 0.16 -3.77 -0.31 0.00 -0.02 0.00 0.00 54.58 50.64 2air n ASN 256 Cb 0.42 -0.61 -0.04 0.00 -2.36 0.00 0.00 39.78 37.19 2air n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2air s ALA 257 N -3.56 3.39 0.37 -2.53 0.00 -1.04 -4.09 121.76 114.29 2air s ALA 257 Ca 0.53 -0.18 -0.27 0.00 0.00 0.00 0.00 51.96 52.04 2air s ALA 257 Cb 0.44 -2.66 -0.10 0.00 0.00 0.00 0.00 23.12 20.80 2air s ALA 257 CO 0.01 0.14 1.33 0.15 0.00 0.00 0.00 175.76 177.39 2air s LYS 258 N -3.52 4.16 0.54 0.00 1.02 -1.26 -4.89 119.74 115.79 2air s LYS 258 Ca 0.51 2.23 0.28 0.00 0.02 0.00 0.00 55.97 59.01 2air s LYS 258 Cb -0.10 -2.92 1.44 0.00 -0.52 0.00 0.00 37.83 35.73 2air s LYS 258 CO 0.27 -0.36 1.94 0.00 -0.92 0.00 0.00 175.35 176.29 2air h ALA 259 N 3.03 2.63 -0.01 5.17 0.00 -1.96 -0.97 119.26 127.16 2air h ALA 259 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2air h ALA 259 Cb 1.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2air h ALA 259 CO 0.64 -0.86 -0.38 0.27 0.00 0.00 0.00 179.25 178.92 2air n ASN 260 N -4.28 1.12 -4.77 0.00 0.23 -1.26 -4.96 115.26 101.33 2air n ASN 260 Ca 0.13 -0.90 -0.39 0.00 -0.53 0.00 0.00 54.58 52.89 2air n ASN 260 Cb 0.77 0.27 -0.00 0.00 -2.08 0.00 0.00 39.78 38.73 2air n ASN 260 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2air s MET 261 N -2.61 3.87 -0.02 -3.83 1.75 -0.37 -4.88 119.30 113.21 2air s MET 261 Ca 0.20 2.14 0.05 0.00 -1.25 0.00 0.00 55.69 56.83 2air s MET 261 Cb 0.19 -2.68 -0.01 0.00 2.84 0.00 0.00 34.83 35.16 2air s MET 261 CO 0.58 -0.57 -0.18 0.15 -0.65 0.00 0.00 175.02 174.36 2air s LYS 262 N -2.34 1.48 -0.27 4.11 -0.14 -1.00 -4.40 119.74 117.18 2air s LYS 262 Ca 0.59 -0.63 -0.11 0.00 -1.36 0.00 0.00 55.97 54.46 2air s LYS 262 Cb -0.38 -1.40 -0.05 0.00 -1.68 0.00 0.00 37.83 34.32 2air s LYS 262 CO 0.48 0.36 0.21 0.08 -0.76 0.00 0.00 175.35 175.72 2air s VAL 263 N -0.35 5.30 0.24 3.17 1.01 0.33 -1.18 120.40 128.94 2air s VAL 263 Ca 0.05 0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.36 2air s VAL 263 Cb -0.07 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2air s VAL 263 CO -0.00 0.26 -0.04 -0.76 0.00 0.00 0.00 175.10 174.56 2air s LEU 264 N 1.61 3.09 -0.29 3.92 1.43 -0.06 -1.33 118.68 127.06 2air s LEU 264 Ca 0.08 -0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 2air s LEU 264 Cb -0.15 -1.66 0.10 0.00 0.03 0.00 0.00 46.19 44.51 2air s LEU 264 CO 0.09 0.03 0.67 -2.28 0.23 0.00 0.00 176.35 175.09 2air s HIS 265 N -2.18 -1.20 0.54 0.29 2.46 -1.26 0.34 115.29 114.28 2air s HIS 265 Ca 0.30 2.23 0.07 0.00 0.47 0.00 0.00 55.06 58.12 2air s HIS 265 Cb -0.07 0.72 0.37 0.00 -0.13 0.00 0.00 32.58 33.47 2air s HIS 265 CO 0.18 -0.60 1.14 -1.00 -2.47 0.00 0.00 174.74 172.00 2air h PRO 266 N 7.50 0.00 0.00 2.88 0.13 -1.96 -3.46 132.00 137.09 2air h PRO 266 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2air h PRO 266 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2air h PRO 266 CO 0.13 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 177.79 2air n LEU 267 N -2.37 0.00 -4.55 1.56 0.00 -1.26 -5.04 117.00 105.34 2air n LEU 267 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.76 2air n LEU 267 Cb 0.77 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 44.12 2air n LEU 267 CO 0.03 0.00 1.68 -2.65 0.00 0.00 0.00 177.39 176.45 2air n PRO 268 N 0.00 0.66 0.00 1.96 -0.02 -1.26 -4.62 135.00 131.71 2air n PRO 268 Ca 0.00 -0.39 0.08 0.00 -2.02 0.00 0.00 63.50 61.17 2air n PRO 268 Cb 0.00 -3.21 -0.03 0.00 -0.02 0.00 0.00 33.50 30.24 2air n PRO 268 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2air n ARG 269 N 8.58 1.73 -0.08 -0.52 -4.01 -1.26 -4.75 116.66 116.35 2air n ARG 269 Ca 0.46 -0.57 0.00 0.00 -1.04 0.00 0.00 57.85 56.71 2air n ARG 269 Cb 0.42 -1.27 0.02 0.00 -3.04 0.00 0.00 32.46 28.59 2air n ARG 269 CO 0.00 0.00 0.00 1.55 -3.04 0.00 0.00 177.63 176.14 2air n VAL 270 N -0.50 -0.10 -0.56 8.89 3.14 -1.26 0.10 118.33 128.04 2air n VAL 270 Ca 0.06 0.49 0.06 0.00 -2.96 0.00 0.00 64.34 61.98 2air n VAL 270 Cb 0.31 -0.66 0.34 0.00 -1.06 0.00 0.00 33.84 32.78 2air n VAL 270 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2air n ASP 271 N -4.32 4.89 0.00 6.55 8.00 -1.26 -4.53 116.55 125.88 2air n ASP 271 Ca 0.03 -2.73 0.00 0.00 0.71 0.00 0.00 54.79 52.80 2air n ASP 271 Cb 0.09 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 2air n ASP 271 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2air n GLU 272 N 0.59 1.13 -3.99 -1.24 4.71 0.11 -4.92 120.64 117.04 2air n GLU 272 Ca 0.23 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 57.09 2air n GLU 272 Cb 1.02 -0.71 -0.16 0.00 -1.01 0.00 0.00 31.44 30.57 2air n GLU 272 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2air s ILE 273 N -1.42 1.51 0.28 -3.67 1.01 -1.17 0.33 121.20 118.07 2air s ILE 273 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 2air s ILE 273 Cb 0.00 -1.50 -0.10 0.00 0.01 0.00 0.00 42.46 40.87 2air s ILE 273 CO 0.00 0.33 1.34 0.00 0.00 0.00 0.00 174.94 176.61 2air s ALA 274 N 1.49 3.54 0.61 9.38 0.00 -0.43 -4.83 121.76 131.51 2air s ALA 274 Ca 0.03 1.25 0.28 0.00 0.00 0.00 0.00 51.96 53.52 2air s ALA 274 Cb -0.14 -3.50 1.48 0.00 0.00 0.00 0.00 23.12 20.96 2air s ALA 274 CO -0.09 -0.64 1.88 1.79 0.00 0.00 0.00 175.76 178.69 2air h THR 275 N 3.31 0.27 0.00 0.00 1.35 -1.96 0.29 112.91 116.17 2air h THR 275 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2air h THR 275 Cb 1.22 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 2air h THR 275 CO 0.71 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 173.74 2air h ASP 276 N 0.00 0.00 0.26 5.36 3.04 -1.96 -0.87 116.42 122.26 2air h ASP 276 Ca 0.16 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.76 2air h ASP 276 Cb 1.09 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.38 2air h ASP 276 CO -0.00 0.00 -0.79 0.58 -2.04 0.00 0.00 179.24 176.99 2air h VAL 277 N 0.00 1.38 -1.21 4.15 2.07 -1.29 -3.28 116.25 118.07 2air h VAL 277 Ca 0.00 -2.22 0.35 0.00 0.82 0.00 0.00 66.70 65.65 2air h VAL 277 Cb 0.22 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 2air h VAL 277 CO 0.00 0.67 0.94 0.44 0.02 0.00 0.00 177.57 179.63 2air h ASP 278 N 0.28 0.00 0.95 0.57 3.32 -1.30 -0.49 116.42 119.74 2air h ASP 278 Ca -0.04 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.79 2air h ASP 278 Cb 1.39 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.90 2air h ASP 278 CO 0.14 0.00 -1.09 0.11 -1.72 0.00 0.00 179.24 176.68 2air h LYS 279 N 0.00 0.00 -7.25 3.56 1.79 -1.72 -3.46 116.57 109.49 2air h LYS 279 Ca 0.58 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.52 2air h LYS 279 Cb 2.44 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 33.26 2air h LYS 279 CO -0.01 0.86 0.29 0.95 -1.08 0.00 0.00 179.45 180.47 2air s THR 280 N -2.71 2.41 -1.12 -0.16 -4.23 -0.19 -4.91 115.64 104.72 2air s THR 280 Ca 0.00 0.15 0.21 0.00 -1.18 0.00 0.00 61.69 60.88 2air s THR 280 Cb 0.09 -2.42 0.23 0.00 1.34 0.00 0.00 72.50 71.75 2air s THR 280 CO 0.82 -0.16 1.69 -0.81 -0.54 0.00 0.00 174.62 175.62 2air n PRO 281 N -3.67 0.09 0.11 3.99 -0.04 -1.26 -3.27 135.00 130.95 2air n PRO 281 Ca 0.12 0.12 0.02 0.00 -0.04 0.00 0.00 63.50 63.71 2air n PRO 281 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2air n PRO 281 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2air h HIS 282 N 0.00 0.00 -2.48 0.54 3.86 -1.89 -3.45 115.15 111.73 2air h HIS 282 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 2air h HIS 282 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2air h HIS 282 CO 0.00 0.52 1.18 0.00 0.86 0.00 0.00 177.93 180.49 2air s ALA 283 N -2.95 3.53 -0.01 2.45 0.00 -1.20 0.12 121.76 123.70 2air s ALA 283 Ca 0.02 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.08 2air s ALA 283 Cb 0.08 -3.82 0.03 0.00 0.00 0.00 0.00 23.12 19.41 2air s ALA 283 CO 0.77 -1.59 1.00 1.87 0.00 0.00 0.00 175.76 177.81 2air n TRP 284 N 7.64 0.00 0.10 0.00 -0.00 -0.44 -4.85 117.44 119.89 2air n TRP 284 Ca 0.19 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.50 57.55 2air n TRP 284 Cb 0.42 -0.06 0.08 0.00 -0.00 0.00 0.00 31.31 31.76 2air n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 2air h TYR 285 N 0.00 0.18 0.04 5.87 -0.00 -1.87 0.40 116.97 121.59 2air h TYR 285 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 58.73 58.37 2air h TYR 285 Cb 1.34 -0.03 0.02 0.00 0.00 0.00 0.00 36.73 38.07 2air h TYR 285 CO 0.09 0.80 -1.10 0.74 -0.00 0.00 0.00 178.16 178.68 2air h PHE 286 N 0.09 1.00 -0.43 0.10 0.05 -1.92 0.07 116.94 115.89 2air h PHE 286 Ca -0.02 -0.57 -0.03 0.00 3.82 0.00 0.00 57.97 61.17 2air h PHE 286 Cb 1.26 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 39.09 2air h PHE 286 CO 0.02 1.41 0.14 1.96 -0.18 0.00 0.00 178.31 181.65 2air h GLN 287 N 0.35 0.66 -0.16 1.51 7.50 -1.88 0.29 115.11 123.37 2air h GLN 287 Ca -0.14 -0.14 0.05 0.00 0.50 0.00 0.00 58.65 58.92 2air h GLN 287 Cb 1.76 -0.10 -0.06 0.00 0.05 0.00 0.00 27.48 29.13 2air h GLN 287 CO 0.21 0.64 -0.22 0.37 -1.50 0.00 0.00 178.83 178.33 2air h GLN 288 N 0.55 -0.26 -0.70 1.46 4.15 -0.14 0.59 115.11 120.77 2air h GLN 288 Ca 0.14 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.63 2air h GLN 288 Cb 0.25 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.94 2air h GLN 288 CO -0.01 -0.17 0.40 0.00 -1.93 0.00 0.00 178.83 177.12 2air h ALA 289 N 0.74 0.94 -0.48 3.38 0.00 -0.28 -0.51 119.26 123.05 2air h ALA 289 Ca 0.11 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2air h ALA 289 Cb 0.43 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2air h ALA 289 CO -0.31 0.09 0.32 0.78 0.00 0.00 0.00 179.25 180.13 2air h GLY 290 N 0.74 0.43 2.00 0.00 0.00 0.12 -0.86 103.07 105.50 2air h GLY 290 Ca 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2air h GLY 290 CO -0.18 0.10 0.00 0.70 0.00 0.00 0.00 176.54 177.16 2air n ASN 291 N -4.47 0.38 0.18 0.19 3.02 0.04 -2.72 115.26 111.88 2air n ASN 291 Ca 0.07 0.60 0.07 0.00 -0.03 0.00 0.00 54.58 55.29 2air n ASN 291 Cb 0.30 -0.68 0.58 0.00 -0.61 0.00 0.00 39.78 39.38 2air n ASN 291 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2air h GLY 292 N 2.24 0.16 0.92 7.41 0.00 -1.12 -2.21 103.07 110.47 2air h GLY 292 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2air h GLY 292 CO 0.00 0.06 0.10 -2.22 0.00 0.00 0.00 176.54 174.47 2air h ILE 293 N 0.15 1.14 -0.21 2.60 1.08 -1.70 -1.44 117.51 119.13 2air h ILE 293 Ca 0.05 -0.39 -0.08 0.00 -0.39 0.00 0.00 64.86 64.05 2air h ILE 293 Cb 0.03 1.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2air h ILE 293 CO -0.01 0.13 -0.18 -0.26 -0.69 0.00 0.00 178.15 177.14 2air h PHE 294 N 0.20 0.58 -0.68 1.37 0.04 -1.63 0.96 116.94 117.79 2air h PHE 294 Ca 0.07 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 2air h PHE 294 Cb 0.12 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 2air h PHE 294 CO -0.02 0.83 0.39 0.00 -0.60 0.00 0.00 178.31 178.90 2air h ALA 295 N 0.66 0.86 0.00 2.45 0.00 -1.43 0.12 119.26 121.92 2air h ALA 295 Ca 0.04 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2air h ALA 295 Cb 0.72 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2air h ALA 295 CO 0.05 0.36 -0.72 0.00 0.00 0.00 0.00 179.25 178.93 2air h ARG 296 N 0.92 0.00 -0.08 0.00 3.08 -1.25 -2.00 114.38 115.05 2air h ARG 296 Ca 0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 2air h ARG 296 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2air h ARG 296 CO -0.04 0.72 -0.02 1.96 -1.07 0.00 0.00 179.97 181.52 2air h GLN 297 N 0.00 0.16 -0.88 0.04 4.20 -0.51 -2.42 115.11 115.70 2air h GLN 297 Ca -0.01 -0.06 0.09 0.00 0.06 0.00 0.00 58.65 58.73 2air h GLN 297 Cb 1.36 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.06 2air h GLN 297 CO 0.09 0.49 0.53 0.00 -0.67 0.00 0.00 178.83 179.27 2air h ALA 298 N 0.67 1.26 -0.24 3.87 0.00 -0.71 0.12 119.26 124.23 2air h ALA 298 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2air h ALA 298 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2air h ALA 298 CO 0.01 0.19 0.03 1.25 0.00 0.00 0.00 179.25 180.73 2air h LEU 299 N 0.91 0.39 -0.37 0.00 5.85 -1.30 -0.92 115.31 119.87 2air h LEU 299 Ca 0.42 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2air h LEU 299 Cb 0.33 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2air h LEU 299 CO -0.23 0.57 0.12 -0.07 -0.34 0.00 0.00 178.44 178.49 2air h LEU 300 N 0.20 0.53 -0.23 2.25 3.38 -0.90 -2.04 115.31 118.51 2air h LEU 300 Ca 0.07 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2air h LEU 300 Cb 0.35 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2air h LEU 300 CO 0.01 0.59 -0.03 0.00 0.09 0.00 0.00 178.44 179.10 2air h ALA 301 N 0.96 0.18 -0.75 1.53 0.00 -0.70 -0.45 119.26 120.03 2air h ALA 301 Ca 0.12 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2air h ALA 301 Cb 0.25 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2air h ALA 301 CO -0.00 -0.45 0.47 -0.07 0.00 0.00 0.00 179.25 179.20 2air h LEU 302 N 0.04 0.76 0.00 0.00 3.38 -0.94 0.18 115.31 118.73 2air h LEU 302 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2air h LEU 302 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2air h LEU 302 CO -0.21 0.52 -0.48 -0.37 0.09 0.00 0.00 178.44 178.00 2air h VAL 303 N 0.90 0.19 -0.00 1.22 -1.51 -1.17 -3.06 116.25 112.83 2air h VAL 303 Ca 0.30 -1.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.48 2air h VAL 303 Cb 0.04 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2air h VAL 303 CO -0.12 0.11 -0.61 0.18 -1.23 0.00 0.00 177.57 175.90 2air n LEU 304 N -2.99 0.96 -3.86 4.19 4.77 -0.20 -1.27 117.00 118.61 2air n LEU 304 Ca 0.01 -0.57 -0.28 0.00 -0.03 0.00 0.00 56.01 55.14 2air n LEU 304 Cb 0.60 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.52 2air n LEU 304 CO 0.38 0.21 -0.41 0.21 -1.33 0.00 0.00 177.39 176.45 2air s ASN 305 N -2.29 3.04 0.18 -1.43 3.84 0.61 -5.03 114.94 113.87 2air s ASN 305 Ca 0.08 -0.80 -0.26 0.00 0.21 0.00 0.00 52.86 52.09 2air s ASN 305 Cb 0.12 -0.87 0.05 0.00 -0.55 0.00 0.00 41.25 39.99 2air s ASN 305 CO 0.56 -0.23 1.55 0.03 -2.79 0.00 0.00 177.10 176.22 2air h ARG 306 N 8.12 -0.02 -6.96 0.43 3.08 -1.85 -3.43 114.38 113.75 2air h ARG 306 Ca -0.20 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.36 2air h ARG 306 Cb 1.10 0.01 0.04 0.00 0.08 0.00 0.00 29.97 31.20 2air h ARG 306 CO 0.38 -0.02 0.12 -0.51 -1.07 0.00 0.00 179.97 178.88 2air s ASP 307 N -5.42 6.23 0.85 7.04 1.01 -1.26 -0.27 116.67 124.86 2air s ASP 307 Ca -0.13 0.94 -0.11 0.00 0.71 0.00 0.00 52.55 53.96 2air s ASP 307 Cb 0.14 -2.23 0.10 0.00 1.01 0.00 0.00 42.92 41.95 2air s ASP 307 CO 0.66 -0.61 1.11 -0.76 0.21 0.00 0.00 175.17 175.77 2air s LEU 308 N -4.77 2.78 0.36 1.23 1.43 -1.26 -4.88 118.68 113.57 2air s LEU 308 Ca 0.48 1.89 -0.27 0.00 -1.03 0.00 0.00 54.13 55.19 2air s LEU 308 Cb -0.10 -4.41 -0.09 0.00 0.03 0.00 0.00 46.19 41.61 2air s LEU 308 CO 0.45 -2.55 1.25 -0.69 0.23 0.00 0.00 176.35 175.04 2air s VAL 309 N -2.81 2.89 0.00 -1.59 1.01 -1.26 -5.15 120.40 113.50 2air s VAL 309 Ca 0.64 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.45 2air s VAL 309 Cb -0.19 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2air s VAL 309 CO 0.57 0.15 0.00 0.18 0.00 0.00 0.00 175.10 176.00