#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1raf s ASN 2 N 0.00 6.01 0.60 0.00 2.20 0.10 -4.95 114.94 118.90 1raf s ASN 2 Ca 0.00 1.86 0.30 0.00 -0.94 0.00 0.00 52.86 54.08 1raf s ASN 2 Cb 0.00 -2.54 1.78 0.00 -2.00 0.00 0.00 41.25 38.49 1raf s ASN 2 CO 0.00 -1.01 2.19 1.55 -2.94 0.00 0.00 177.10 176.88 1raf h PRO 3 N 0.87 0.00 -0.00 3.55 0.13 -1.94 -0.86 132.00 133.74 1raf h PRO 3 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1raf h PRO 3 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1raf h PRO 3 CO 0.58 0.00 -0.45 1.28 -0.23 0.00 0.00 178.00 179.18 1raf n LEU 4 N -3.77 0.91 -4.66 1.56 4.77 -1.26 -4.83 117.00 109.71 1raf n LEU 4 Ca -0.01 -0.23 -0.56 0.00 -0.03 0.00 0.00 56.01 55.18 1raf n LEU 4 Cb 0.20 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1raf n LEU 4 CO 0.27 0.19 1.42 0.00 -1.33 0.00 0.00 177.39 177.93 1raf n TYR 5 N -1.01 2.01 -2.91 -1.77 9.36 -0.33 -1.25 117.16 121.25 1raf n TYR 5 Ca 0.08 0.46 -0.20 0.00 3.32 0.00 0.00 57.90 61.55 1raf n TYR 5 Cb 0.35 -2.49 0.01 0.00 -0.63 0.00 0.00 39.34 36.59 1raf n TYR 5 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1raf n GLN 6 N 5.95 -3.51 -3.04 2.98 7.27 0.19 -5.01 117.38 122.21 1raf n GLN 6 Ca 0.29 0.75 -0.25 0.00 0.07 0.00 0.00 57.00 57.86 1raf n GLN 6 Cb 0.15 -5.50 -0.00 0.00 2.41 0.00 0.00 30.24 27.31 1raf n GLN 6 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1raf s LYS 7 N -5.56 3.35 -0.07 3.69 1.02 -0.38 -4.81 119.74 116.97 1raf s LYS 7 Ca 0.23 -0.24 -0.17 0.00 0.02 0.00 0.00 55.97 55.81 1raf s LYS 7 Cb -0.11 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.61 1raf s LYS 7 CO 0.28 -0.10 0.44 -1.01 -0.92 0.00 0.00 175.35 174.05 1raf s HIS 8 N -2.52 3.59 -0.75 3.18 3.76 -1.26 -4.62 115.29 116.67 1raf s HIS 8 Ca 0.45 0.92 -0.09 0.00 -0.15 0.00 0.00 55.06 56.19 1raf s HIS 8 Cb -0.10 -2.45 0.20 0.00 1.11 0.00 0.00 32.58 31.34 1raf s HIS 8 CO 0.39 0.35 0.63 0.42 -0.85 0.00 0.00 174.74 175.68 1raf s ILE 9 N -0.02 4.75 -0.25 0.60 1.09 -0.75 -4.79 121.20 121.84 1raf s ILE 9 Ca 0.25 -2.76 -0.10 0.00 -1.10 0.00 0.00 60.65 56.93 1raf s ILE 9 Cb -0.16 -3.99 -0.11 0.00 -1.06 0.00 0.00 42.46 37.14 1raf s ILE 9 CO 0.11 -0.97 -0.30 -0.38 -0.10 0.00 0.00 174.94 173.30 1raf n ILE 10 N 3.67 1.35 -4.02 2.92 2.08 -1.26 -0.84 119.36 123.26 1raf n ILE 10 Ca 0.12 -0.37 -0.08 0.00 0.56 0.00 0.00 62.75 62.97 1raf n ILE 10 Cb 0.42 -1.76 -0.11 0.00 -0.75 0.00 0.00 39.64 37.45 1raf n ILE 10 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1raf s SER 11 N -7.08 0.35 0.19 4.38 0.15 -1.26 -4.65 113.70 105.77 1raf s SER 11 Ca -0.34 -0.67 0.05 0.00 0.70 0.00 0.00 55.95 55.69 1raf s SER 11 Cb 0.13 0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.65 1raf s SER 11 CO 0.45 -0.40 1.44 -0.29 1.20 0.00 0.00 173.24 175.65 1raf h ILE 12 N 4.14 1.49 0.00 6.45 6.09 -1.95 -2.69 117.51 131.04 1raf h ILE 12 Ca -0.33 -2.51 0.00 0.00 -1.37 0.00 0.00 64.86 60.66 1raf h ILE 12 Cb 1.19 2.37 0.00 0.00 0.47 0.00 0.00 36.82 40.84 1raf h ILE 12 CO 0.49 0.73 0.00 0.59 -3.07 0.00 0.00 178.15 176.89 1raf n ASN 13 N -3.69 0.03 0.01 2.19 3.02 -1.26 -1.09 115.26 114.47 1raf n ASN 13 Ca -0.02 0.51 0.11 0.00 -0.03 0.00 0.00 54.58 55.14 1raf n ASN 13 Cb 0.75 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 1raf n ASN 13 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1raf n ASP 14 N -1.53 0.62 -4.74 6.41 8.00 -1.02 -4.89 116.55 119.40 1raf n ASP 14 Ca 0.02 -0.40 -0.37 0.00 0.71 0.00 0.00 54.79 54.76 1raf n ASP 14 Cb 0.11 1.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.15 1raf n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1raf s LEU 15 N -3.71 4.27 0.89 0.64 1.43 -0.25 -5.07 118.68 116.89 1raf s LEU 15 Ca 0.04 0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 53.56 1raf s LEU 15 Cb 0.15 -2.40 0.15 0.00 0.03 0.00 0.00 46.19 44.12 1raf s LEU 15 CO 0.83 0.13 1.26 -0.94 0.23 0.00 0.00 176.35 177.85 1raf s SER 16 N 0.28 3.72 0.22 2.29 1.04 -1.26 -4.86 113.70 115.13 1raf s SER 16 Ca 0.18 0.47 -0.07 0.00 0.48 0.00 0.00 55.95 57.01 1raf s SER 16 Cb -0.13 -0.71 0.19 0.00 0.10 0.00 0.00 66.02 65.46 1raf s SER 16 CO 0.05 -2.37 1.83 -0.09 0.98 0.00 0.00 173.24 173.63 1raf h ARG 17 N -1.38 1.22 -0.24 4.02 2.43 -1.98 0.11 114.38 118.57 1raf h ARG 17 Ca -0.45 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.43 1raf h ARG 17 Cb 1.27 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1raf h ARG 17 CO 0.50 0.93 -0.38 -0.44 -1.51 0.00 0.00 179.97 179.07 1raf h ASP 18 N 1.22 0.56 -0.06 -3.80 3.32 -1.98 0.47 116.42 116.14 1raf h ASP 18 Ca 0.30 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1raf h ASP 18 Cb 0.09 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1raf h ASP 18 CO -0.04 0.88 0.01 0.44 -1.72 0.00 0.00 179.24 178.82 1raf h ASP 19 N 0.44 0.10 -0.62 6.45 3.32 -1.69 -0.41 116.42 124.00 1raf h ASP 19 Ca 0.04 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 56.89 1raf h ASP 19 Cb 0.86 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 1raf h ASP 19 CO 0.07 0.31 0.37 -0.07 -1.72 0.00 0.00 179.24 178.20 1raf h LEU 20 N -0.12 0.60 -0.37 1.55 3.38 0.05 -2.42 115.31 117.97 1raf h LEU 20 Ca 0.02 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1raf h LEU 20 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1raf h LEU 20 CO 0.00 0.41 -0.11 0.78 0.09 0.00 0.00 178.44 179.61 1raf h ASN 21 N 0.72 0.73 -0.55 -0.43 2.35 -0.78 -1.76 115.58 115.87 1raf h ASN 21 Ca 0.26 -0.37 0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1raf h ASN 21 Cb 0.06 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.17 1raf h ASN 21 CO -0.12 0.94 0.22 0.25 -1.65 0.00 0.00 177.43 177.07 1raf h LEU 22 N 0.52 0.26 -0.54 1.61 5.85 -0.60 0.27 115.31 122.67 1raf h LEU 22 Ca 0.09 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1raf h LEU 22 Cb 0.63 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1raf h LEU 22 CO 0.04 0.17 0.24 0.58 -0.34 0.00 0.00 178.44 179.13 1raf h VAL 23 N 0.42 1.21 0.00 1.05 2.07 -1.41 -1.77 116.25 117.82 1raf h VAL 23 Ca 0.27 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1raf h VAL 23 Cb 0.27 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1raf h VAL 23 CO -0.25 0.24 -0.25 -0.07 0.02 0.00 0.00 177.57 177.26 1raf h LEU 24 N 0.74 0.00 -0.05 2.57 4.07 -0.18 -1.06 115.31 121.40 1raf h LEU 24 Ca 0.18 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.93 1raf h LEU 24 Cb 0.16 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1raf h LEU 24 CO -0.02 0.25 -1.02 0.00 -1.08 0.00 0.00 178.44 176.58 1raf h ALA 25 N 1.75 0.35 -0.35 1.53 0.00 -0.63 -3.14 119.26 118.76 1raf h ALA 25 Ca -0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 53.88 1raf h ALA 25 Cb 0.96 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1raf h ALA 25 CO 0.03 1.12 -0.41 1.15 0.00 0.00 0.00 179.25 181.15 1raf h THR 26 N 0.03 1.27 -0.97 0.00 2.02 -0.91 -2.44 112.91 111.92 1raf h THR 26 Ca -0.04 -1.59 0.08 0.00 0.77 0.00 0.00 66.41 65.63 1raf h THR 26 Cb 1.75 1.46 -0.07 0.00 -1.74 0.00 0.00 68.15 69.54 1raf h THR 26 CO 0.14 0.53 0.62 0.00 0.37 0.00 0.00 175.52 177.18 1raf h ALA 27 N 0.74 1.49 -0.20 6.16 0.00 -1.24 -1.69 119.26 124.51 1raf h ALA 27 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1raf h ALA 27 Cb 1.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1raf h ALA 27 CO 0.10 0.34 0.07 0.00 0.00 0.00 0.00 179.25 179.77 1raf h ALA 28 N 1.50 0.27 0.15 0.00 0.00 -1.48 -0.49 119.26 119.21 1raf h ALA 28 Ca 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1raf h ALA 28 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1raf h ALA 28 CO -0.19 -0.13 -0.08 0.87 0.00 0.00 0.00 179.25 179.73 1raf h LYS 29 N 0.17 -0.20 0.00 0.00 1.57 -0.91 -1.53 116.57 115.66 1raf h LYS 29 Ca 0.07 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1raf h LYS 29 Cb 0.20 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1raf h LYS 29 CO -0.00 -0.14 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.59 1raf h LEU 30 N -0.21 0.00 -0.30 2.94 3.38 -1.28 0.36 115.31 120.20 1raf h LEU 30 Ca -0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1raf h LEU 30 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1raf h LEU 30 CO 0.03 0.08 -0.58 0.50 0.09 0.00 0.00 178.44 178.57 1raf h LYS 31 N 0.00 0.84 0.10 1.13 3.64 -0.93 -3.31 116.57 118.04 1raf h LYS 31 Ca -0.00 -0.55 -0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1raf h LYS 31 Cb 0.17 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1raf h LYS 31 CO 0.01 1.18 -0.05 0.00 -2.27 0.00 0.00 179.45 178.33 1raf h ALA 32 N 0.70 -0.15 -3.34 5.00 0.00 0.37 -3.43 119.26 118.41 1raf h ALA 32 Ca 0.00 -0.03 -0.69 0.00 0.00 0.00 0.00 54.91 54.20 1raf h ALA 32 Cb 1.19 0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.70 1raf h ALA 32 CO 0.13 -0.14 -0.64 1.21 0.00 0.00 0.00 179.25 179.81 1raf s ASN 33 N -4.98 5.07 0.55 0.00 2.47 0.95 -5.09 114.94 113.90 1raf s ASN 33 Ca -0.02 -1.51 -0.18 0.00 0.42 0.00 0.00 52.86 51.57 1raf s ASN 33 Cb 0.00 -1.77 -0.11 0.00 -1.45 0.00 0.00 41.25 37.92 1raf s ASN 33 CO 0.06 -0.36 0.23 -2.65 -3.72 0.00 0.00 177.10 170.66 1raf n PRO 34 N 4.63 0.28 -3.20 0.43 -0.02 -1.24 -4.43 135.00 131.44 1raf n PRO 34 Ca -0.09 0.11 -0.23 0.00 -2.02 0.00 0.00 63.50 61.26 1raf n PRO 34 Cb 0.43 -1.39 -0.06 0.00 -0.02 0.00 0.00 33.50 32.45 1raf n PRO 34 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1raf n GLN 35 N 0.63 0.93 0.00 -0.52 1.13 -1.26 -4.98 117.38 113.31 1raf n GLN 35 Ca 0.10 -3.38 0.08 0.00 -1.94 0.00 0.00 57.00 51.85 1raf n GLN 35 Cb 0.47 -1.39 0.45 0.00 0.11 0.00 0.00 30.24 29.89 1raf n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1raf n PRO 36 N 1.16 0.79 -0.36 -1.09 -0.04 -1.26 -1.00 135.00 133.20 1raf n PRO 36 Ca 0.22 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.70 1raf n PRO 36 Cb 0.54 -1.30 0.02 0.00 -0.04 0.00 0.00 33.50 32.72 1raf n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1raf n GLU 37 N -0.80 0.27 -0.28 0.54 1.02 -1.25 -2.74 120.64 117.39 1raf n GLU 37 Ca 0.11 -1.20 -0.06 0.00 -0.02 0.00 0.00 57.16 56.00 1raf n GLU 37 Cb 0.05 -0.66 0.06 0.00 -0.02 0.00 0.00 31.44 30.87 1raf n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1raf h LEU 38 N 0.00 1.05 -3.88 -4.62 5.85 -0.96 -2.53 115.31 110.22 1raf h LEU 38 Ca 0.00 -0.17 -0.47 0.00 0.84 0.00 0.00 57.88 58.07 1raf h LEU 38 Cb 1.27 -0.27 -0.27 0.00 0.37 0.00 0.00 40.66 41.76 1raf h LEU 38 CO 0.00 0.94 0.52 0.18 -0.34 0.00 0.00 178.44 179.74 1raf n LEU 39 N -4.31 6.33 -4.70 2.25 4.77 0.64 -4.99 117.00 117.00 1raf n LEU 39 Ca 0.07 -3.74 -0.43 0.00 -0.03 0.00 0.00 56.01 51.87 1raf n LEU 39 Cb 0.18 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.44 1raf n LEU 39 CO 0.40 1.16 1.06 1.17 -1.33 0.00 0.00 177.39 179.85 1raf n LYS 40 N -1.11 2.24 -0.93 3.23 4.81 -0.96 -1.61 118.16 123.83 1raf n LYS 40 Ca 0.55 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.78 1raf n LYS 40 Cb 1.44 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 34.02 1raf n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1raf n HIS 41 N 1.66 0.00 -3.24 5.64 8.25 -1.26 -4.99 115.22 121.28 1raf n HIS 41 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.21 1raf n HIS 41 Cb 0.34 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 30.98 1raf n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1raf s LYS 42 N -0.33 4.04 -0.07 -0.41 -0.14 -0.63 -4.99 119.74 117.21 1raf s LYS 42 Ca 0.00 0.61 0.05 0.00 -1.36 0.00 0.00 55.97 55.27 1raf s LYS 42 Cb 0.00 -2.77 -0.00 0.00 -1.68 0.00 0.00 37.83 33.38 1raf s LYS 42 CO 0.00 0.36 -0.22 0.08 -0.76 0.00 0.00 175.35 174.81 1raf s VAL 43 N -1.64 1.84 0.07 3.17 1.01 -1.26 -2.12 120.40 121.47 1raf s VAL 43 Ca 0.44 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1raf s VAL 43 Cb -0.14 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1raf s VAL 43 CO 0.20 0.51 -0.26 -0.63 0.00 0.00 0.00 175.10 174.92 1raf s ILE 44 N 0.12 2.11 -0.19 2.22 1.01 0.12 -1.15 121.20 125.44 1raf s ILE 44 Ca -0.10 -1.46 -0.12 0.00 0.00 0.00 0.00 60.65 58.98 1raf s ILE 44 Cb -0.15 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1raf s ILE 44 CO 0.05 0.27 0.20 0.00 0.00 0.00 0.00 174.94 175.47 1raf s ALA 45 N -0.87 3.64 -0.79 9.38 0.00 -0.91 -1.64 121.76 130.57 1raf s ALA 45 Ca 0.12 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1raf s ALA 45 Cb -0.10 -2.28 0.20 0.00 0.00 0.00 0.00 23.12 20.95 1raf s ALA 45 CO 0.03 0.11 0.67 0.45 0.00 0.00 0.00 175.76 177.01 1raf s SER 46 N 0.45 5.90 -0.55 0.00 0.15 -0.51 -0.82 113.70 118.32 1raf s SER 46 Ca 0.12 -3.21 -0.22 0.00 0.70 0.00 0.00 55.95 53.34 1raf s SER 46 Cb -0.12 -1.95 0.05 0.00 -1.71 0.00 0.00 66.02 62.29 1raf s SER 46 CO 0.01 -0.32 0.82 0.00 1.20 0.00 0.00 173.24 174.94 1raf s PHE 48 N 3.41 3.41 0.29 0.00 0.40 -0.23 -1.60 117.98 123.67 1raf s PHE 48 Ca 0.23 -2.82 0.23 0.00 -0.60 0.00 0.00 56.93 53.97 1raf s PHE 48 Cb -0.16 -3.07 1.08 0.00 0.51 0.00 0.00 43.02 41.38 1raf s PHE 48 CO 0.15 -0.85 1.92 0.74 0.70 0.00 0.00 175.22 177.88 1raf h PHE 49 N 7.12 0.00 -3.36 0.36 0.04 -1.71 -2.17 116.94 117.21 1raf h PHE 49 Ca -0.06 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.06 1raf h PHE 49 Cb 0.96 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 38.88 1raf h PHE 49 CO 0.61 0.22 -0.71 -2.00 -0.60 0.00 0.00 178.31 175.83 1raf s GLU 50 N -3.95 3.44 0.34 1.51 2.12 -1.25 -2.22 118.70 118.68 1raf s GLU 50 Ca -0.01 -0.59 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 1raf s GLU 50 Cb 0.12 -2.76 -0.09 0.00 0.26 0.00 0.00 34.13 31.66 1raf s GLU 50 CO 0.63 0.29 1.13 0.00 -0.54 0.00 0.00 175.26 176.77 1raf s ALA 51 N 0.20 3.29 -0.36 6.30 0.00 -1.26 -4.73 121.76 125.21 1raf s ALA 51 Ca -0.05 0.91 0.04 0.00 0.00 0.00 0.00 51.96 52.87 1raf s ALA 51 Cb -0.14 -3.34 0.17 0.00 0.00 0.00 0.00 23.12 19.80 1raf s ALA 51 CO 0.04 -0.31 0.47 0.45 0.00 0.00 0.00 175.76 176.41 1raf s SER 52 N -1.03 0.05 0.13 0.00 0.15 -1.26 -5.05 113.70 106.68 1raf s SER 52 Ca 0.50 -1.00 -0.24 0.00 0.70 0.00 0.00 55.95 55.91 1raf s SER 52 Cb -0.31 1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 65.14 1raf s SER 52 CO 0.39 -0.25 1.65 0.74 1.20 0.00 0.00 173.24 176.97 1raf h THR 53 N 5.32 0.50 -0.04 6.45 2.02 -1.98 -1.11 112.91 124.07 1raf h THR 53 Ca 0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1raf h THR 53 Cb 1.11 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 1raf h THR 53 CO 0.18 0.00 -0.34 0.03 0.37 0.00 0.00 175.52 175.76 1raf h ARG 54 N -0.30 -0.45 -0.39 6.66 2.47 -1.99 0.35 114.38 120.73 1raf h ARG 54 Ca 0.08 0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.75 1raf h ARG 54 Cb 0.41 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 1raf h ARG 54 CO -0.23 -0.30 -0.08 1.15 0.56 0.00 0.00 179.97 181.06 1raf h THR 55 N -0.47 1.24 -0.04 2.04 2.02 -1.96 -2.68 112.91 113.07 1raf h THR 55 Ca 0.07 -1.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 1raf h THR 55 Cb 0.57 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1raf h THR 55 CO -0.30 0.36 -0.10 -0.09 0.37 0.00 0.00 175.52 175.75 1raf h ARG 56 N 0.61 0.13 -0.96 6.66 2.43 -0.56 -1.79 114.38 120.91 1raf h ARG 56 Ca 0.11 -0.09 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1raf h ARG 56 Cb 0.51 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 1raf h ARG 56 CO 0.03 0.71 0.61 -0.07 -1.51 0.00 0.00 179.97 179.74 1raf h LEU 57 N -0.42 0.98 -0.31 3.80 3.38 -0.91 0.38 115.31 122.21 1raf h LEU 57 Ca -0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1raf h LEU 57 Cb 0.71 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1raf h LEU 57 CO 0.02 0.62 -0.05 -1.28 0.09 0.00 0.00 178.44 177.85 1raf h SER 58 N 1.11 0.59 0.57 -0.43 0.87 -1.39 -1.09 113.55 113.78 1raf h SER 58 Ca 0.42 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1raf h SER 58 Cb 0.17 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1raf h SER 58 CO -0.17 0.79 -0.27 -0.26 -0.53 0.00 0.00 176.83 176.39 1raf h PHE 59 N 0.37 -0.71 -0.72 2.24 0.04 -0.78 -0.27 116.94 117.11 1raf h PHE 59 Ca 0.08 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.88 1raf h PHE 59 Cb 0.52 0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.86 1raf h PHE 59 CO 0.05 -0.39 0.47 0.93 -0.60 0.00 0.00 178.31 178.77 1raf h GLU 60 N -0.91 0.79 -0.44 1.51 5.08 -0.87 -0.13 114.58 119.61 1raf h GLU 60 Ca -0.08 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1raf h GLU 60 Cb 0.64 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1raf h GLU 60 CO 0.13 0.52 -0.08 1.15 -1.00 0.00 0.00 179.01 179.73 1raf h THR 61 N 0.82 1.27 -0.05 1.13 2.02 -0.96 0.20 112.91 117.33 1raf h THR 61 Ca 0.30 -1.18 0.01 0.00 0.77 0.00 0.00 66.41 66.31 1raf h THR 61 Cb 0.14 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1raf h THR 61 CO -0.09 0.40 0.04 0.28 0.37 0.00 0.00 175.52 176.52 1raf h SER 62 N 0.66 0.03 0.05 4.18 0.02 0.80 0.25 113.55 119.54 1raf h SER 62 Ca 0.11 -0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.82 1raf h SER 62 Cb 0.61 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 63.16 1raf h SER 62 CO 0.04 0.02 -0.97 0.24 -1.14 0.00 0.00 176.83 175.02 1raf h MET 63 N 0.03 0.56 -0.64 3.45 2.07 -0.53 -3.14 114.93 116.73 1raf h MET 63 Ca 0.02 -0.68 -0.09 0.00 -2.07 0.00 0.00 59.70 56.89 1raf h MET 63 Cb 0.05 0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 29.97 1raf h MET 63 CO -0.00 1.28 0.05 0.45 1.07 0.00 0.00 176.91 179.75 1raf h HIS 64 N 0.15 1.18 0.00 -0.22 3.86 0.60 -1.14 115.15 119.57 1raf h HIS 64 Ca -0.14 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 1raf h HIS 64 Cb 1.66 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.82 1raf h HIS 64 CO 0.13 1.01 0.00 0.54 0.86 0.00 0.00 177.93 180.47 1raf n ARG 65 N -4.19 0.14 -0.18 2.45 1.74 0.78 -0.91 116.66 116.49 1raf n ARG 65 Ca 0.04 0.19 0.05 0.00 -0.77 0.00 0.00 57.85 57.36 1raf n ARG 65 Cb 0.32 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.40 1raf n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1raf n LEU 66 N -1.33 2.83 0.00 0.55 4.77 -1.07 -4.07 117.00 118.68 1raf n LEU 66 Ca 0.05 -2.35 0.00 0.00 -0.03 0.00 0.00 56.01 53.69 1raf n LEU 66 Cb 0.11 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1raf n LEU 66 CO 0.10 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1raf n GLY 67 N -0.19 0.71 3.89 -0.72 0.00 -0.09 -0.26 105.19 108.53 1raf n GLY 67 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1raf n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1raf s ALA 68 N -2.15 3.53 0.36 4.61 0.00 -0.45 -3.71 121.76 123.95 1raf s ALA 68 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.40 1raf s ALA 68 Cb 0.00 -2.44 -0.08 0.00 0.00 0.00 0.00 23.12 20.60 1raf s ALA 68 CO 0.00 0.20 0.77 -1.12 0.00 0.00 0.00 175.76 175.61 1raf s SER 69 N -3.07 6.71 -0.06 0.00 0.01 -0.90 -4.34 113.70 112.06 1raf s SER 69 Ca 0.47 1.29 0.03 0.00 1.31 0.00 0.00 55.95 59.04 1raf s SER 69 Cb -0.11 -2.38 0.01 0.00 0.21 0.00 0.00 66.02 63.75 1raf s SER 69 CO 0.29 -0.29 -0.15 -0.69 0.41 0.00 0.00 173.24 172.82 1raf s VAL 70 N -2.13 1.31 0.22 3.43 1.01 -1.26 0.12 120.40 123.10 1raf s VAL 70 Ca 0.54 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1raf s VAL 70 Cb -0.10 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1raf s VAL 70 CO 0.21 0.39 -0.17 0.68 0.00 0.00 0.00 175.10 176.22 1raf s VAL 71 N 0.45 1.95 -5.00 2.92 -7.23 -0.65 -4.94 120.40 107.90 1raf s VAL 71 Ca -0.12 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 57.83 1raf s VAL 71 Cb -0.15 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.71 1raf s VAL 71 CO 0.04 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1raf n GLY 72 N -0.33 -0.85 3.15 2.32 0.00 -1.26 -1.42 105.19 106.80 1raf n GLY 72 Ca -0.08 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 1raf n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1raf s PHE 73 N -2.39 0.04 -0.00 1.61 -0.71 -1.03 -4.94 117.98 110.55 1raf s PHE 73 Ca 0.00 -0.19 0.02 0.00 -1.04 0.00 0.00 56.93 55.72 1raf s PHE 73 Cb 0.00 -0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.74 1raf s PHE 73 CO 0.00 -0.36 -0.02 -1.54 -1.34 0.00 0.00 175.22 171.96 1raf s SER 74 N -1.74 5.00 0.00 1.98 1.04 -1.26 -1.06 113.70 117.66 1raf s SER 74 Ca -0.10 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1raf s SER 74 Cb -0.04 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.80 1raf s SER 74 CO -0.01 0.28 0.00 -0.67 0.98 0.00 0.00 173.24 173.82 1raf n ASP 75 N 1.46 0.00 -0.10 7.02 2.03 -0.81 -4.89 116.55 121.25 1raf n ASP 75 Ca -0.15 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.15 1raf n ASP 75 Cb 0.53 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1raf n ASP 75 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1raf n SER 76 N 0.00 -5.14 -2.98 1.67 7.64 -0.94 -4.13 113.62 109.75 1raf n SER 76 Ca 0.00 0.03 -0.16 0.00 1.01 0.00 0.00 58.87 59.75 1raf n SER 76 Cb 0.00 -3.16 -0.01 0.00 -1.01 0.00 0.00 64.21 60.03 1raf n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1raf n ALA 77 N 0.87 0.43 -0.83 -0.43 0.00 -1.26 -4.99 120.51 114.30 1raf n ALA 77 Ca -0.01 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.11 1raf n ALA 77 Cb 0.44 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1raf n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1raf n ASN 78 N 1.71 0.00 -4.57 0.00 5.03 -1.26 -4.87 115.26 111.29 1raf n ASN 78 Ca 0.16 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.21 1raf n ASN 78 Cb 0.57 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.32 1raf n ASN 78 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1raf s THR 79 N -0.73 3.98 0.00 3.41 -4.23 -1.26 -4.79 115.64 112.01 1raf s THR 79 Ca 0.00 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1raf s THR 79 Cb 0.00 -5.04 0.00 0.00 1.34 0.00 0.00 72.50 68.80 1raf s THR 79 CO 0.00 -1.83 0.00 -1.20 -0.54 0.00 0.00 174.62 171.05 1raf n SER 80 N 9.50 0.00 -4.76 3.99 7.64 -1.26 -4.88 113.62 123.85 1raf n SER 80 Ca 0.45 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.94 1raf n SER 80 Cb 0.47 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.61 1raf n SER 80 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1raf s LEU 81 N 0.00 4.38 0.00 -3.43 2.96 -1.26 -3.13 118.68 118.21 1raf s LEU 81 Ca 0.00 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 1raf s LEU 81 Cb 0.00 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 43.87 1raf s LEU 81 CO 0.00 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 1raf n GLY 82 N 2.60 0.31 3.81 7.98 0.00 -1.26 -5.07 105.19 113.55 1raf n GLY 82 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1raf n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1raf s LYS 83 N -0.80 3.10 2.28 1.61 -0.14 -1.18 -4.03 119.74 120.58 1raf s LYS 83 Ca 0.00 1.07 0.00 0.00 -1.36 0.00 0.00 55.97 55.68 1raf s LYS 83 Cb 0.00 -2.01 0.00 0.00 -1.68 0.00 0.00 37.83 34.14 1raf s LYS 83 CO 0.00 -0.97 0.00 1.63 -0.76 0.00 0.00 175.35 175.25 1raf n LYS 84 N -2.64 0.00 -1.29 1.68 4.01 -1.26 -2.99 118.16 115.67 1raf n LYS 84 Ca 0.08 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.86 1raf n LYS 84 Cb 0.53 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 35.06 1raf n LYS 84 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1raf n GLY 85 N 0.00 0.12 3.67 0.72 0.00 -1.26 -5.10 105.19 103.34 1raf n GLY 85 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1raf n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1raf s GLU 86 N 0.03 4.14 0.91 1.61 2.12 -1.16 -4.97 118.70 121.38 1raf s GLU 86 Ca 0.02 2.62 -0.11 0.00 0.36 0.00 0.00 54.97 57.85 1raf s GLU 86 Cb 0.09 -3.95 0.14 0.00 0.26 0.00 0.00 34.13 30.67 1raf s GLU 86 CO -0.03 -0.92 1.09 0.95 -0.54 0.00 0.00 175.26 175.82 1raf s THR 87 N 3.83 2.58 0.17 -1.70 -4.23 -1.26 -4.63 115.64 110.39 1raf s THR 87 Ca 0.86 0.19 -0.08 0.00 -1.18 0.00 0.00 61.69 61.48 1raf s THR 87 Cb -0.44 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 1raf s THR 87 CO 0.40 -0.24 1.52 0.25 -0.54 0.00 0.00 174.62 176.00 1raf h LEU 88 N -1.68 0.89 -0.56 4.79 5.85 -1.99 -2.72 115.31 119.87 1raf h LEU 88 Ca -0.49 -0.40 0.11 0.00 0.84 0.00 0.00 57.88 57.95 1raf h LEU 88 Cb 1.28 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.96 1raf h LEU 88 CO 0.51 1.16 -0.09 0.00 -0.34 0.00 0.00 178.44 179.68 1raf h ALA 89 N 0.88 0.44 -0.68 1.25 0.00 -1.93 -0.42 119.26 118.79 1raf h ALA 89 Ca 0.06 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1raf h ALA 89 Cb 0.95 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1raf h ALA 89 CO 0.09 -0.42 0.20 -0.44 0.00 0.00 0.00 179.25 178.68 1raf h ASP 90 N 0.04 1.00 0.00 0.00 3.32 -1.94 0.16 116.42 119.01 1raf h ASP 90 Ca 0.28 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1raf h ASP 90 Cb 0.44 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1raf h ASP 90 CO -0.55 0.96 -0.10 0.74 -1.72 0.00 0.00 179.24 178.57 1raf h THR 91 N 1.00 0.75 -0.13 0.35 2.02 -1.05 -0.64 112.91 115.21 1raf h THR 91 Ca 0.22 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.32 1raf h THR 91 Cb 0.32 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1raf h THR 91 CO -0.00 0.00 -0.29 0.40 0.37 0.00 0.00 175.52 176.00 1raf h ILE 92 N -0.17 1.25 0.00 3.11 1.08 -0.96 0.10 117.51 121.93 1raf h ILE 92 Ca 0.04 -1.21 -0.08 0.00 -0.39 0.00 0.00 64.86 63.22 1raf h ILE 92 Cb 0.21 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1raf h ILE 92 CO -0.10 0.37 -0.36 0.28 -0.69 0.00 0.00 178.15 177.65 1raf h SER 93 N 0.22 0.00 0.11 1.72 0.02 -0.65 -1.14 113.55 113.83 1raf h SER 93 Ca 0.03 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.71 1raf h SER 93 Cb 0.63 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1raf h SER 93 CO 0.05 0.36 -1.36 0.58 -1.14 0.00 0.00 176.83 175.31 1raf h VAL 94 N 0.00 1.07 -0.38 2.27 2.07 -0.05 -3.35 116.25 117.87 1raf h VAL 94 Ca -0.00 -2.41 -0.03 0.00 0.82 0.00 0.00 66.70 65.08 1raf h VAL 94 Cb 0.86 2.74 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1raf h VAL 94 CO 0.05 0.70 0.09 0.40 0.02 0.00 0.00 177.57 178.83 1raf h ILE 95 N -0.32 1.17 0.00 4.57 2.04 -0.75 -1.66 117.51 122.56 1raf h ILE 95 Ca -0.29 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1raf h ILE 95 Cb 1.74 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1raf h ILE 95 CO 0.06 0.22 0.00 -1.54 0.00 0.00 0.00 178.15 176.89 1raf n SER 96 N -4.34 0.00 -0.23 1.72 3.41 -0.44 -2.53 113.62 111.21 1raf n SER 96 Ca 0.02 -1.31 0.14 0.00 -0.26 0.00 0.00 58.87 57.47 1raf n SER 96 Cb 0.19 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.77 1raf n SER 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1raf n THR 97 N -0.64 0.00 -1.75 6.66 -1.04 -0.63 -4.44 114.28 112.45 1raf n THR 97 Ca 0.05 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1raf n THR 97 Cb 0.02 0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1raf n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1raf n TYR 98 N -0.53 0.00 -4.39 -1.42 0.18 -1.05 -5.12 117.16 104.84 1raf n TYR 98 Ca 0.18 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.76 1raf n TYR 98 Cb 0.27 0.11 -0.10 0.00 -0.38 0.00 0.00 39.34 39.25 1raf n TYR 98 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 1raf s VAL 99 N 0.00 1.98 -0.61 -3.48 -7.23 -1.24 -4.93 120.40 104.88 1raf s VAL 99 Ca 0.00 -2.28 0.22 0.00 -1.81 0.00 0.00 61.98 58.12 1raf s VAL 99 Cb 0.00 -2.13 -0.19 0.00 0.56 0.00 0.00 36.38 34.62 1raf s VAL 99 CO 0.00 -0.53 0.88 0.47 -0.31 0.00 0.00 175.10 175.61 1raf n ASP 100 N -0.46 0.60 -3.52 4.85 8.00 -0.30 -4.90 116.55 120.82 1raf n ASP 100 Ca -0.07 -0.41 -0.16 0.00 0.71 0.00 0.00 54.79 54.86 1raf n ASP 100 Cb 0.60 1.10 -0.05 0.00 -0.02 0.00 0.00 41.12 42.75 1raf n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1raf s ALA 101 N -3.20 -1.63 -0.19 2.24 0.00 -1.26 -4.19 121.76 113.54 1raf s ALA 101 Ca 0.03 0.99 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 1raf s ALA 101 Cb 0.15 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.53 1raf s ALA 101 CO 0.84 -0.48 -0.13 0.42 0.00 0.00 0.00 175.76 176.42 1raf s ILE 102 N -1.96 2.74 -0.17 0.00 1.01 -0.05 -2.13 121.20 120.63 1raf s ILE 102 Ca -0.08 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1raf s ILE 102 Cb -0.01 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1raf s ILE 102 CO 0.03 0.49 0.07 -0.69 0.00 0.00 0.00 174.94 174.84 1raf s VAL 103 N 1.22 4.89 -0.06 2.92 1.01 -0.00 -1.12 120.40 129.25 1raf s VAL 103 Ca 0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 1raf s VAL 103 Cb -0.14 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1raf s VAL 103 CO -0.06 0.48 0.15 0.00 0.00 0.00 0.00 175.10 175.68 1raf s MET 104 N 0.17 0.16 0.06 2.72 0.00 -1.07 -0.98 119.30 120.37 1raf s MET 104 Ca 0.05 0.24 0.05 0.00 0.00 0.00 0.00 55.69 56.04 1raf s MET 104 Cb -0.12 0.04 -0.04 0.00 0.00 0.00 0.00 34.83 34.71 1raf s MET 104 CO 0.00 -0.05 -0.08 0.50 0.00 0.00 0.00 175.02 175.40 1raf s ARG 105 N 0.28 2.35 -0.04 3.16 3.52 -0.63 -1.13 118.95 126.46 1raf s ARG 105 Ca -0.02 -0.88 -0.21 0.00 -0.13 0.00 0.00 55.73 54.50 1raf s ARG 105 Cb -0.03 -2.40 0.04 0.00 -1.56 0.00 0.00 34.95 31.00 1raf s ARG 105 CO -0.01 0.55 0.46 -1.58 -0.81 0.00 0.00 175.30 173.91 1raf s HIS 106 N -1.12 -0.38 0.36 5.12 2.46 -0.16 -2.26 115.29 119.32 1raf s HIS 106 Ca 0.20 0.66 0.16 0.00 0.47 0.00 0.00 55.06 56.55 1raf s HIS 106 Cb -0.11 0.22 0.86 0.00 -0.13 0.00 0.00 32.58 33.41 1raf s HIS 106 CO 0.11 -0.46 1.87 -1.00 -2.47 0.00 0.00 174.74 172.79 1raf h PRO 107 N 3.68 0.00 -6.45 2.88 0.13 -1.89 -2.36 132.00 128.00 1raf h PRO 107 Ca -0.28 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.31 1raf h PRO 107 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1raf h PRO 107 CO 0.38 0.32 -0.10 -0.65 -0.23 0.00 0.00 178.00 177.71 1raf s GLN 108 N -4.15 3.82 0.23 0.86 -0.21 -1.26 -3.11 119.66 115.85 1raf s GLN 108 Ca -0.02 0.31 -0.30 0.00 0.02 0.00 0.00 55.36 55.37 1raf s GLN 108 Cb 0.14 -2.65 -0.09 0.00 1.00 0.00 0.00 33.01 31.41 1raf s GLN 108 CO 0.69 0.32 0.95 -1.21 -2.12 0.00 0.00 175.29 173.92 1raf s GLU 109 N -2.77 4.84 0.00 2.91 8.01 -1.26 -3.44 118.70 126.99 1raf s GLU 109 Ca 0.47 1.50 0.00 0.00 0.01 0.00 0.00 54.97 56.95 1raf s GLU 109 Cb -0.11 -3.28 0.00 0.00 -4.31 0.00 0.00 34.13 26.43 1raf s GLU 109 CO 0.21 0.49 0.00 0.41 0.01 0.00 0.00 175.26 176.38 1raf n GLY 110 N 1.52 2.01 0.36 -1.39 0.00 -1.26 -4.97 105.19 101.46 1raf n GLY 110 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1raf n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1raf h ALA 111 N 0.00 1.64 -0.27 4.61 0.00 -1.93 -0.86 119.26 122.45 1raf h ALA 111 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1raf h ALA 111 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1raf h ALA 111 CO 0.00 0.23 -0.48 0.00 0.00 0.00 0.00 179.25 179.00 1raf h ALA 112 N 1.57 0.42 -0.74 0.00 0.00 -1.93 -1.55 119.26 117.02 1raf h ALA 112 Ca 0.36 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1raf h ALA 112 Cb 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1raf h ALA 112 CO -0.13 0.58 0.35 -0.09 0.00 0.00 0.00 179.25 179.97 1raf h ARG 113 N 0.56 1.06 -0.37 0.00 2.43 -1.75 -1.05 114.38 115.26 1raf h ARG 113 Ca 0.02 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 1raf h ARG 113 Cb 1.08 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1raf h ARG 113 CO 0.11 0.82 -0.14 1.25 -1.51 0.00 0.00 179.97 180.50 1raf h LEU 114 N 1.05 0.65 -1.00 3.80 6.46 -0.99 -2.92 115.31 122.36 1raf h LEU 114 Ca 0.26 -0.19 0.13 0.00 -0.12 0.00 0.00 57.88 57.96 1raf h LEU 114 Cb 0.11 -0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 39.78 1raf h LEU 114 CO -0.03 0.81 0.62 0.00 -0.62 0.00 0.00 178.44 179.22 1raf h ALA 115 N 1.26 1.53 -0.95 1.25 0.00 -0.16 -0.18 119.26 122.02 1raf h ALA 115 Ca 0.10 0.03 0.27 0.00 0.00 0.00 0.00 54.91 55.32 1raf h ALA 115 Cb 0.58 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1raf h ALA 115 CO 0.04 0.17 0.68 1.15 0.00 0.00 0.00 179.25 181.29 1raf h THR 116 N 0.95 0.53 0.00 0.00 2.02 -1.25 -1.01 112.91 114.15 1raf h THR 116 Ca 0.51 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.69 1raf h THR 116 Cb 0.57 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1raf h THR 116 CO -0.29 0.00 -0.06 -0.62 0.37 0.00 0.00 175.52 174.92 1raf n GLU 117 N -4.26 0.07 0.00 6.66 1.02 -0.08 -3.86 120.64 120.20 1raf n GLU 117 Ca 0.20 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1raf n GLU 117 Cb 1.01 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 1raf n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1raf n PHE 118 N -1.70 0.00 1.79 -0.32 3.72 -0.48 -4.78 117.46 115.69 1raf n PHE 118 Ca 0.06 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.57 1raf n PHE 118 Cb 0.36 0.00 0.65 0.00 -0.94 0.00 0.00 39.48 39.55 1raf n PHE 118 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1raf n SER 119 N -1.00 0.00 0.00 4.37 3.41 -0.61 -4.39 113.62 115.40 1raf n SER 119 Ca 0.00 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 1raf n SER 119 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1raf n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1raf n GLY 120 N 0.70 3.12 2.10 5.00 0.00 -1.26 -1.93 105.19 112.92 1raf n GLY 120 Ca 0.16 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1raf n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1raf n ASN 121 N 8.10 4.23 -4.67 1.61 2.04 -1.26 -4.92 115.26 120.39 1raf n ASN 121 Ca 0.00 -3.45 -0.39 0.00 -0.44 0.00 0.00 54.58 50.30 1raf n ASN 121 Cb 0.00 -0.37 -0.07 0.00 -2.53 0.00 0.00 39.78 36.81 1raf n ASN 121 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1raf s VAL 122 N -4.39 5.15 0.45 3.53 1.01 -0.81 -5.05 120.40 120.29 1raf s VAL 122 Ca 0.46 0.85 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 1raf s VAL 122 Cb 0.39 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 1raf s VAL 122 CO 0.02 0.21 1.23 -2.16 0.00 0.00 0.00 175.10 174.41 1raf s PRO 123 N 1.48 3.73 -0.23 2.72 0.04 -1.26 -4.81 135.00 136.67 1raf s PRO 123 Ca 0.22 1.96 -0.06 0.00 0.04 0.00 0.00 61.00 63.16 1raf s PRO 123 Cb -0.15 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 1raf s PRO 123 CO 0.09 -0.63 0.01 0.08 0.04 0.00 0.00 177.00 176.60 1raf s VAL 124 N -1.42 3.87 -0.14 -0.36 1.01 -1.26 -0.87 120.40 121.22 1raf s VAL 124 Ca 0.63 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1raf s VAL 124 Cb -0.33 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1raf s VAL 124 CO 0.41 0.38 -0.08 -0.76 0.00 0.00 0.00 175.10 175.05 1raf s LEU 125 N 1.51 3.00 -0.13 3.92 1.43 -0.28 -1.81 118.68 126.32 1raf s LEU 125 Ca 0.06 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 52.74 1raf s LEU 125 Cb -0.15 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1raf s LEU 125 CO 0.00 0.17 0.54 0.21 0.23 0.00 0.00 176.35 177.51 1raf s ASN 126 N 0.34 6.72 -0.04 2.29 2.47 -0.02 -2.58 114.94 124.12 1raf s ASN 126 Ca -0.07 0.86 0.14 0.00 0.42 0.00 0.00 52.86 54.21 1raf s ASN 126 Cb -0.15 -2.32 0.44 0.00 -1.45 0.00 0.00 41.25 37.77 1raf s ASN 126 CO 0.04 -0.08 1.37 0.00 -3.72 0.00 0.00 177.10 174.71 1raf n ALA 127 N 4.04 2.45 0.00 1.71 0.00 -0.28 -4.35 120.51 124.08 1raf n ALA 127 Ca -0.05 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 51.98 1raf n ALA 127 Cb 0.51 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1raf n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1raf n GLY 128 N 0.57 3.81 2.96 0.00 0.00 -1.25 -4.73 105.19 106.54 1raf n GLY 128 Ca 0.17 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1raf n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1raf s ASP 129 N 0.00 4.60 0.38 1.61 -4.77 -0.93 -0.98 116.67 116.58 1raf s ASP 129 Ca 0.00 -2.02 0.00 0.00 -3.30 0.00 0.00 52.55 47.23 1raf s ASP 129 Cb 0.00 -1.47 0.00 0.00 -1.09 0.00 0.00 42.92 40.36 1raf s ASP 129 CO 0.00 -0.38 0.00 0.61 0.70 0.00 0.00 175.17 176.10 1raf n GLY 130 N 4.38 1.94 0.95 2.12 0.00 -0.89 -1.02 105.19 112.67 1raf n GLY 130 Ca 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.76 1raf n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1raf n SER 131 N -0.65 2.46 0.00 1.61 3.41 -1.26 -4.64 113.62 114.55 1raf n SER 131 Ca 0.00 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1raf n SER 131 Cb 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1raf n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1raf n ASN 132 N 0.17 0.00 -4.41 4.04 5.15 -0.19 -4.89 115.26 115.14 1raf n ASN 132 Ca 0.09 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.87 1raf n ASN 132 Cb 0.56 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.70 1raf n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1raf s GLN 133 N 0.00 1.56 -0.47 1.20 -1.52 -1.25 -4.96 119.66 114.21 1raf s GLN 133 Ca 0.00 -1.85 0.06 0.00 -1.95 0.00 0.00 55.36 51.63 1raf s GLN 133 Cb 0.00 -0.74 0.29 0.00 -0.22 0.00 0.00 33.01 32.34 1raf s GLN 133 CO 0.00 -0.18 1.01 1.58 -0.25 0.00 0.00 175.29 177.45 1raf n HIS 134 N -0.60 -2.91 -0.31 0.91 -0.00 -1.26 -2.19 115.22 108.85 1raf n HIS 134 Ca -0.02 -2.07 0.17 0.00 -0.00 0.00 0.00 57.72 55.80 1raf n HIS 134 Cb 0.66 1.51 0.43 0.00 -0.00 0.00 0.00 29.99 32.59 1raf n HIS 134 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1raf h PRO 135 N 3.39 0.54 0.00 1.57 0.11 -1.83 0.78 132.00 136.57 1raf h PRO 135 Ca -0.11 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.90 1raf h PRO 135 Cb 1.07 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1raf h PRO 135 CO 0.22 0.36 -0.33 1.15 -0.21 0.00 0.00 178.00 179.19 1raf h THR 136 N 0.56 0.62 0.01 -1.15 2.02 -1.95 0.16 112.91 113.18 1raf h THR 136 Ca 0.55 -1.65 -0.20 0.00 0.77 0.00 0.00 66.41 65.88 1raf h THR 136 Cb 1.14 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 69.66 1raf h THR 136 CO -0.29 0.32 -0.92 -0.61 0.37 0.00 0.00 175.52 174.39 1raf h GLN 137 N 0.00 0.10 0.00 6.66 5.75 -1.22 -2.87 115.11 123.54 1raf h GLN 137 Ca -0.00 -0.13 -0.16 0.00 -0.15 0.00 0.00 58.65 58.21 1raf h GLN 137 Cb 1.11 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 1raf h GLN 137 CO 0.04 0.95 -0.74 1.15 -2.65 0.00 0.00 178.83 177.58 1raf h THR 138 N 0.05 1.51 -0.32 2.39 2.02 -1.12 -2.78 112.91 114.67 1raf h THR 138 Ca -0.03 -2.57 -0.05 0.00 0.77 0.00 0.00 66.41 64.53 1raf h THR 138 Cb 1.58 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 70.37 1raf h THR 138 CO 0.13 0.73 0.01 -0.07 0.37 0.00 0.00 175.52 176.69 1raf h LEU 139 N 0.00 0.53 -1.03 2.58 3.38 -0.71 -1.01 115.31 119.06 1raf h LEU 139 Ca -0.01 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 1raf h LEU 139 Cb 1.33 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1raf h LEU 139 CO 0.10 0.70 -0.37 0.17 0.09 0.00 0.00 178.44 179.12 1raf h LEU 140 N 0.35 0.22 0.25 1.67 8.10 -1.48 -1.37 115.31 123.06 1raf h LEU 140 Ca 0.09 -0.09 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1raf h LEU 140 Cb 0.42 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.58 1raf h LEU 140 CO 0.01 0.58 -0.12 0.44 -4.11 0.00 0.00 178.44 175.25 1raf h ASP 141 N 0.19 -0.28 -0.95 0.17 3.32 -1.33 0.10 116.42 117.63 1raf h ASP 141 Ca 0.02 -0.18 0.11 0.00 0.02 0.00 0.00 57.03 57.00 1raf h ASP 141 Cb 0.75 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.29 1raf h ASP 141 CO 0.06 0.04 0.59 -0.07 -1.72 0.00 0.00 179.24 178.13 1raf h LEU 142 N -0.62 0.86 -0.54 1.55 3.38 -1.05 0.67 115.31 119.56 1raf h LEU 142 Ca -0.03 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1raf h LEU 142 Cb 0.44 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1raf h LEU 142 CO 0.06 0.47 0.05 0.15 0.09 0.00 0.00 178.44 179.25 1raf h PHE 143 N 0.95 0.99 0.00 1.13 3.57 -0.80 0.11 116.94 122.89 1raf h PHE 143 Ca 0.47 -0.15 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 1raf h PHE 143 Cb 0.44 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1raf h PHE 143 CO -0.02 0.90 -0.45 1.15 -2.23 0.00 0.00 178.31 177.66 1raf h THR 144 N 0.80 1.30 -0.16 4.41 2.02 0.99 0.12 112.91 122.39 1raf h THR 144 Ca 0.16 -1.55 -0.10 0.00 0.77 0.00 0.00 66.41 65.69 1raf h THR 144 Cb 0.47 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1raf h THR 144 CO 0.02 0.44 -0.29 0.40 0.37 0.00 0.00 175.52 176.46 1raf h ILE 145 N 0.00 1.36 0.50 3.11 2.04 -0.40 -2.69 117.51 121.42 1raf h ILE 145 Ca -0.00 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.30 1raf h ILE 145 Cb 0.81 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1raf h ILE 145 CO 0.06 0.46 -0.24 -0.61 0.00 0.00 0.00 178.15 177.82 1raf h GLN 146 N 0.10 -0.64 -0.87 2.37 4.15 -0.51 0.35 115.11 120.05 1raf h GLN 146 Ca 0.01 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.55 1raf h GLN 146 Cb 0.87 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.65 1raf h GLN 146 CO 0.06 -0.41 0.57 1.49 -1.93 0.00 0.00 178.83 178.62 1raf h GLU 147 N -0.72 0.91 0.01 1.69 4.81 -0.88 0.34 114.58 120.74 1raf h GLU 147 Ca -0.07 -0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 58.80 1raf h GLU 147 Cb 0.54 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1raf h GLU 147 CO 0.11 0.60 -1.78 0.25 -0.73 0.00 0.00 179.01 177.47 1raf n THR 148 N -4.50 1.61 0.92 0.32 -2.24 -1.01 -4.13 114.28 105.24 1raf n THR 148 Ca 0.14 -0.79 0.11 0.00 -2.27 0.00 0.00 64.05 61.24 1raf n THR 148 Cb 0.24 -1.07 0.02 0.00 -2.10 0.00 0.00 70.33 67.42 1raf n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1raf n GLN 149 N -3.07 0.05 0.00 -0.78 1.13 0.12 -4.97 117.38 109.87 1raf n GLN 149 Ca -0.19 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 1raf n GLN 149 Cb 1.06 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.90 1raf n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1raf n GLY 150 N 1.48 2.86 3.51 1.08 0.00 0.12 -4.95 105.19 109.29 1raf n GLY 150 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1raf n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1raf s ARG 151 N 0.00 1.42 0.00 1.61 1.70 -1.23 -4.96 118.95 117.49 1raf s ARG 151 Ca 0.00 -1.16 0.00 0.00 -0.47 0.00 0.00 55.73 54.10 1raf s ARG 151 Cb 0.00 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 1raf s ARG 151 CO 0.00 -0.58 0.88 1.28 -1.08 0.00 0.00 175.30 175.80 1raf n LEU 152 N -0.33 1.72 -4.36 -1.89 4.32 -1.26 -4.16 117.00 111.04 1raf n LEU 152 Ca -0.05 -1.72 -0.19 0.00 -0.02 0.00 0.00 56.01 54.04 1raf n LEU 152 Cb 0.62 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.32 1raf n LEU 152 CO 0.22 0.43 -0.40 1.51 -1.22 0.00 0.00 177.39 177.92 1raf s ASP 153 N -0.76 2.45 -1.50 -1.43 1.47 -1.26 -4.63 116.67 111.01 1raf s ASP 153 Ca 0.00 -1.09 -0.03 0.00 1.18 0.00 0.00 52.55 52.62 1raf s ASP 153 Cb 0.00 -0.11 0.00 0.00 -0.34 0.00 0.00 42.92 42.47 1raf s ASP 153 CO 0.00 -0.27 0.34 0.59 0.68 0.00 0.00 175.17 176.50 1raf n ASN 154 N -0.42 -5.65 -4.91 2.11 4.13 0.83 -4.92 115.26 106.43 1raf n ASN 154 Ca -0.07 -0.17 -0.29 0.00 1.68 0.00 0.00 54.58 55.73 1raf n ASN 154 Cb 0.62 -4.56 -0.04 0.00 -1.54 0.00 0.00 39.78 34.26 1raf n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1raf s LEU 155 N -5.87 4.19 -0.40 3.41 1.43 -1.26 -4.88 118.68 115.31 1raf s LEU 155 Ca 0.17 0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1raf s LEU 155 Cb -0.07 -3.32 0.10 0.00 0.03 0.00 0.00 46.19 42.93 1raf s LEU 155 CO 0.21 -0.06 0.20 -1.00 0.23 0.00 0.00 176.35 175.93 1raf s HIS 156 N -1.87 3.49 -0.18 0.29 3.76 -1.26 -0.11 115.29 119.41 1raf s HIS 156 Ca 0.41 -2.15 -0.02 0.00 -0.15 0.00 0.00 55.06 53.14 1raf s HIS 156 Cb -0.11 -3.06 -0.01 0.00 1.11 0.00 0.00 32.58 30.50 1raf s HIS 156 CO 0.28 -0.93 -0.08 0.08 -0.85 0.00 0.00 174.74 173.24 1raf s VAL 157 N 1.22 3.27 -0.11 -0.90 1.01 -0.44 -1.14 120.40 123.31 1raf s VAL 157 Ca 0.05 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1raf s VAL 157 Cb -0.23 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1raf s VAL 157 CO -0.02 0.47 0.13 0.00 0.00 0.00 0.00 175.10 175.67 1raf s ALA 158 N 1.01 3.81 -0.16 5.51 0.00 0.34 -2.28 121.76 129.98 1raf s ALA 158 Ca -0.00 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1raf s ALA 158 Cb -0.15 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.09 1raf s ALA 158 CO -0.00 0.63 -0.20 -1.64 0.00 0.00 0.00 175.76 174.54 1raf s MET 159 N -1.09 2.91 -0.11 0.00 1.00 0.82 -0.80 119.30 122.02 1raf s MET 159 Ca 0.16 -0.80 0.03 0.00 0.00 0.00 0.00 55.69 55.07 1raf s MET 159 Cb -0.12 -2.46 -0.01 0.00 0.00 0.00 0.00 34.83 32.25 1raf s MET 159 CO 0.05 -0.14 -0.20 0.08 0.00 0.00 0.00 175.02 174.80 1raf s VAL 160 N 1.14 2.39 0.00 -6.03 1.01 -0.36 -1.10 120.40 117.45 1raf s VAL 160 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1raf s VAL 160 Cb -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1raf s VAL 160 CO -0.09 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1raf n GLY 161 N 3.51 0.29 3.47 4.51 0.00 -0.54 -0.77 105.19 115.67 1raf n GLY 161 Ca -0.19 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1raf n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1raf s ASP 162 N -4.00 6.19 0.00 1.61 2.15 -1.26 -4.24 116.67 117.12 1raf s ASP 162 Ca 0.00 -0.79 0.22 0.00 0.43 0.00 0.00 52.55 52.41 1raf s ASP 162 Cb 0.00 -2.23 -0.19 0.00 -0.30 0.00 0.00 42.92 40.20 1raf s ASP 162 CO 0.00 -0.64 0.79 0.18 -0.17 0.00 0.00 175.17 175.33 1raf n LEU 163 N 5.65 0.55 0.10 -1.34 4.77 0.32 -3.39 117.00 123.65 1raf n LEU 163 Ca -0.08 -0.19 -0.21 0.00 -0.03 0.00 0.00 56.01 55.50 1raf n LEU 163 Cb 0.47 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 1raf n LEU 163 CO 0.47 0.11 -0.07 0.50 -1.33 0.00 0.00 177.39 177.07 1raf h LYS 164 N 0.00 0.55 0.00 3.23 3.64 -0.13 -3.38 116.57 120.48 1raf h LYS 164 Ca 0.00 -0.77 0.00 0.00 -1.27 0.00 0.00 60.65 58.61 1raf h LYS 164 Cb 0.74 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1raf h LYS 164 CO 0.00 1.35 -1.37 0.66 -2.27 0.00 0.00 179.45 177.82 1raf n TYR 165 N -3.74 0.00 -1.61 1.91 4.01 -1.26 -4.85 117.16 111.61 1raf n TYR 165 Ca -0.13 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.33 1raf n TYR 165 Cb 1.00 -0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 39.75 1raf n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1raf s GLY 166 N -3.33 -0.52 0.34 2.72 0.00 -1.22 -4.83 107.32 100.49 1raf s GLY 166 Ca -0.02 -0.39 0.12 0.00 0.00 0.00 0.00 44.72 44.44 1raf s GLY 166 CO 0.64 4.10 1.73 -0.09 0.00 0.00 0.00 173.10 179.48 1raf h ARG 167 N 16.48 0.49 0.10 2.90 2.43 -1.90 -2.72 114.38 132.16 1raf h ARG 167 Ca -0.14 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.73 1raf h ARG 167 Cb 1.15 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1raf h ARG 167 CO 1.11 0.33 -1.17 1.79 -1.51 0.00 0.00 179.97 180.51 1raf h THR 168 N 0.51 1.44 -0.18 0.20 1.35 -1.93 -2.98 112.91 111.32 1raf h THR 168 Ca 0.65 -2.82 -0.04 0.00 -0.55 0.00 0.00 66.41 63.64 1raf h THR 168 Cb 1.36 2.79 -0.01 0.00 -1.73 0.00 0.00 68.15 70.55 1raf h THR 168 CO -0.44 0.83 -0.07 -0.37 -0.25 0.00 0.00 175.52 175.21 1raf h VAL 169 N 0.13 1.16 -0.21 6.82 -1.51 -1.86 -1.98 116.25 118.81 1raf h VAL 169 Ca -0.13 -0.68 -0.06 0.00 -1.23 0.00 0.00 66.70 64.60 1raf h VAL 169 Cb 1.87 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 1raf h VAL 169 CO 0.20 0.22 -0.12 0.45 -1.23 0.00 0.00 177.57 177.09 1raf h HIS 170 N 0.27 0.53 -0.12 5.19 3.86 -1.55 -2.14 115.15 121.18 1raf h HIS 170 Ca 0.06 -0.14 -0.17 0.00 -1.16 0.00 0.00 60.37 58.96 1raf h HIS 170 Cb 0.31 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1raf h HIS 170 CO 0.01 0.75 -0.64 0.77 0.86 0.00 0.00 177.93 179.68 1raf h SER 171 N 0.15 0.51 0.07 2.45 0.02 -1.36 -2.76 113.55 112.63 1raf h SER 171 Ca 0.04 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.59 1raf h SER 171 Cb 0.62 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1raf h SER 171 CO 0.03 1.02 -0.33 0.25 -1.14 0.00 0.00 176.83 176.67 1raf h LEU 172 N 0.33 0.39 -0.69 5.07 5.85 -1.28 -0.74 115.31 124.24 1raf h LEU 172 Ca -0.01 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1raf h LEU 172 Cb 1.19 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1raf h LEU 172 CO 0.11 0.70 0.15 0.74 -0.34 0.00 0.00 178.44 179.80 1raf h THR 173 N 0.33 1.26 -0.55 1.05 2.02 -1.33 0.26 112.91 115.96 1raf h THR 173 Ca 0.04 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.17 1raf h THR 173 Cb 0.74 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1raf h THR 173 CO 0.06 0.38 0.16 1.56 0.37 0.00 0.00 175.52 178.05 1raf h GLN 174 N 1.06 0.86 -0.14 6.66 4.20 -1.05 -2.42 115.11 124.28 1raf h GLN 174 Ca 0.21 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1raf h GLN 174 Cb 0.40 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1raf h GLN 174 CO 0.01 0.79 -0.08 0.00 -0.67 0.00 0.00 178.83 178.88 1raf h ALA 175 N 1.03 0.19 0.00 3.87 0.00 -1.03 -3.18 119.26 120.14 1raf h ALA 175 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1raf h ALA 175 Cb 0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1raf h ALA 175 CO -0.00 0.01 -0.03 -0.07 0.00 0.00 0.00 179.25 179.16 1raf h LEU 176 N -0.06 0.00 0.00 0.00 3.38 -0.97 0.19 115.31 117.85 1raf h LEU 176 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1raf h LEU 176 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1raf h LEU 176 CO 0.02 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1raf n ALA 177 N -2.15 2.28 0.37 1.53 0.00 -0.91 -2.35 120.51 119.27 1raf n ALA 177 Ca -0.02 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.45 1raf n ALA 177 Cb 0.16 -1.44 0.45 0.00 0.00 0.00 0.00 19.45 18.62 1raf n ALA 177 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1raf h LYS 178 N 0.00 0.00 -5.98 0.00 1.57 -0.66 -3.46 116.57 108.05 1raf h LYS 178 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1raf h LYS 178 Cb 0.36 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1raf h LYS 178 CO 0.00 0.00 -0.34 -0.06 -0.57 0.00 0.00 179.45 178.48 1raf s PHE 179 N -3.35 1.98 -0.06 -1.35 0.08 -0.99 -4.89 117.98 109.40 1raf s PHE 179 Ca 0.05 -0.74 -0.10 0.00 0.12 0.00 0.00 56.93 56.27 1raf s PHE 179 Cb 0.09 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.52 1raf s PHE 179 CO 0.55 -0.32 0.25 -0.51 -0.10 0.00 0.00 175.22 175.09 1raf s ASP 180 N -4.20 6.55 -1.05 1.36 1.01 -1.26 -4.62 116.67 114.45 1raf s ASP 180 Ca 0.38 0.66 0.00 0.00 0.71 0.00 0.00 52.55 54.29 1raf s ASP 180 Cb -0.02 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.78 1raf s ASP 180 CO 0.23 0.36 0.00 0.61 0.21 0.00 0.00 175.17 176.58 1raf n GLY 181 N 1.82 1.08 3.82 0.21 0.00 -1.26 -0.12 105.19 110.74 1raf n GLY 181 Ca -0.17 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 1raf n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1raf s ASN 182 N -2.60 6.95 -0.10 1.61 0.01 -1.26 -3.88 114.94 115.67 1raf s ASN 182 Ca 0.00 1.69 0.04 0.00 -0.71 0.00 0.00 52.86 53.87 1raf s ASN 182 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1raf s ASN 182 CO 0.00 -0.35 -0.23 -0.13 -1.51 0.00 0.00 177.10 174.88 1raf s ARG 183 N -3.13 3.01 -0.09 -0.60 0.52 0.85 -4.24 118.95 115.27 1raf s ARG 183 Ca 0.61 -0.86 -0.01 0.00 -0.52 0.00 0.00 55.73 54.95 1raf s ARG 183 Cb -0.09 -2.29 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 1raf s ARG 183 CO 0.13 0.15 -0.03 -0.06 0.02 0.00 0.00 175.30 175.52 1raf s PHE 184 N 0.41 3.07 -0.17 -0.53 0.08 -0.33 -1.32 117.98 119.18 1raf s PHE 184 Ca -0.17 0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.98 1raf s PHE 184 Cb -0.18 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1raf s PHE 184 CO 0.07 0.37 -0.20 0.71 -0.10 0.00 0.00 175.22 176.07 1raf s TYR 185 N -0.74 2.76 -0.16 0.36 2.02 -0.97 -1.08 117.35 119.54 1raf s TYR 185 Ca 0.11 -1.59 -0.05 0.00 -0.37 0.00 0.00 57.07 55.17 1raf s TYR 185 Cb -0.11 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1raf s TYR 185 CO 0.02 -0.77 0.02 -0.06 -1.57 0.00 0.00 175.55 173.19 1raf s PHE 186 N 1.20 3.17 -0.26 2.71 0.08 -0.01 -0.12 117.98 124.75 1raf s PHE 186 Ca 0.03 -0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.03 1raf s PHE 186 Cb -0.13 -2.00 0.08 0.00 -0.57 0.00 0.00 43.02 40.39 1raf s PHE 186 CO -0.11 0.13 0.04 0.42 -0.10 0.00 0.00 175.22 175.60 1raf s ILE 187 N 0.21 1.00 -0.04 0.64 1.01 -0.26 -1.40 121.20 122.36 1raf s ILE 187 Ca 0.02 -1.16 -0.09 0.00 0.00 0.00 0.00 60.65 59.42 1raf s ILE 187 Cb -0.13 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.79 1raf s ILE 187 CO 0.01 -0.39 0.20 0.00 0.00 0.00 0.00 174.94 174.76 1raf s ALA 188 N 1.60 -0.50 0.46 9.38 0.00 -1.26 -1.46 121.76 129.98 1raf s ALA 188 Ca 0.03 0.25 -0.24 0.00 0.00 0.00 0.00 51.96 52.00 1raf s ALA 188 Cb -0.18 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.78 1raf s ALA 188 CO -0.15 -0.17 1.33 -1.25 0.00 0.00 0.00 175.76 175.52 1raf s PRO 189 N -0.76 3.65 0.34 0.00 0.04 -1.26 -4.84 135.00 132.16 1raf s PRO 189 Ca -0.08 2.19 0.14 0.00 0.04 0.00 0.00 61.00 63.29 1raf s PRO 189 Cb -0.05 -2.55 1.12 0.00 0.04 0.00 0.00 34.50 33.07 1raf s PRO 189 CO 0.02 -0.77 1.54 -0.25 0.04 0.00 0.00 177.00 177.58 1raf n ASP 190 N -0.35 0.18 0.12 6.66 8.00 -1.26 0.20 116.55 130.11 1raf n ASP 190 Ca 0.06 1.64 0.13 0.00 0.71 0.00 0.00 54.79 57.33 1raf n ASP 190 Cb 0.44 -0.73 0.45 0.00 -0.02 0.00 0.00 41.12 41.26 1raf n ASP 190 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1raf n ALA 191 N -2.59 1.96 -1.20 2.24 0.00 -1.26 -3.59 120.51 116.07 1raf n ALA 191 Ca 0.32 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.85 1raf n ALA 191 Cb 1.09 -1.43 0.21 0.00 0.00 0.00 0.00 19.45 19.31 1raf n ALA 191 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1raf n LEU 192 N -2.27 3.49 -4.70 0.00 4.77 0.13 -4.91 117.00 113.52 1raf n LEU 192 Ca 0.04 -3.34 -0.33 0.00 -0.03 0.00 0.00 56.01 52.34 1raf n LEU 192 Cb 0.33 -0.54 0.13 0.00 -2.33 0.00 0.00 43.42 41.01 1raf n LEU 192 CO 0.25 0.92 0.76 0.00 -1.33 0.00 0.00 177.39 177.99 1raf s ALA 193 N -3.01 1.80 -0.26 -1.18 0.00 -1.12 0.12 121.76 118.12 1raf s ALA 193 Ca 0.40 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 1raf s ALA 193 Cb 0.35 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 1raf s ALA 193 CO 0.03 -2.34 1.29 1.41 0.00 0.00 0.00 175.76 176.15 1raf s MET 194 N -4.21 4.02 0.41 0.00 1.75 -1.26 -2.77 119.30 117.23 1raf s MET 194 Ca 0.72 1.38 -0.25 0.00 -1.25 0.00 0.00 55.69 56.29 1raf s MET 194 Cb -0.28 -3.84 -0.11 0.00 2.84 0.00 0.00 34.83 33.45 1raf s MET 194 CO 0.51 -0.99 1.07 -0.35 -0.65 0.00 0.00 175.02 174.62 1raf n PRO 195 N 7.08 1.49 -0.31 4.11 -0.04 -1.26 -4.77 135.00 141.31 1raf n PRO 195 Ca 0.14 0.53 0.19 0.00 -0.04 0.00 0.00 63.50 64.32 1raf n PRO 195 Cb 0.46 -2.10 0.36 0.00 -0.04 0.00 0.00 33.50 32.17 1raf n PRO 195 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1raf n GLN 196 N 0.19 -0.07 0.29 0.54 1.13 -1.26 -1.62 117.38 116.59 1raf n GLN 196 Ca 0.09 1.32 0.16 0.00 -1.94 0.00 0.00 57.00 56.63 1raf n GLN 196 Cb 0.38 -2.19 0.87 0.00 0.11 0.00 0.00 30.24 29.42 1raf n GLN 196 CO 0.00 0.00 0.00 0.10 -1.44 0.00 0.00 177.06 175.72 1raf h TYR 197 N 0.00 0.00 0.01 1.08 -0.00 -1.99 0.42 116.97 116.49 1raf h TYR 197 Ca 0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 59.35 1raf h TYR 197 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.16 1raf h TYR 197 CO -0.31 0.06 -0.01 0.82 -0.00 0.00 0.00 178.16 178.72 1raf h ILE 198 N 0.00 1.51 -0.68 -0.90 1.08 -1.66 -2.31 117.51 114.56 1raf h ILE 198 Ca -0.00 -1.99 -0.01 0.00 -0.39 0.00 0.00 64.86 62.47 1raf h ILE 198 Cb 0.24 2.79 -0.03 0.00 -3.07 0.00 0.00 36.82 36.75 1raf h ILE 198 CO 0.01 0.49 0.40 -0.07 -0.69 0.00 0.00 178.15 178.29 1raf h LEU 199 N -0.93 0.82 -0.03 1.44 3.38 -0.90 -0.04 115.31 119.05 1raf h LEU 199 Ca -0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1raf h LEU 199 Cb 0.81 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1raf h LEU 199 CO 0.00 0.65 0.02 0.44 0.09 0.00 0.00 178.44 179.64 1raf h ASP 200 N 0.92 0.04 -0.75 -0.43 3.32 -0.32 0.61 116.42 119.80 1raf h ASP 200 Ca 0.24 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.26 1raf h ASP 200 Cb -0.02 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1raf h ASP 200 CO -0.04 0.09 0.50 -0.03 -1.72 0.00 0.00 179.24 178.03 1raf h MET 201 N -0.01 0.92 -0.18 3.56 4.05 -0.97 -0.33 114.93 121.96 1raf h MET 201 Ca 0.01 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 1raf h MET 201 Cb 0.06 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 1raf h MET 201 CO -0.00 0.61 0.02 -0.07 0.23 0.00 0.00 176.91 177.70 1raf h LEU 202 N 0.95 0.30 -0.24 3.39 3.38 -0.42 -2.41 115.31 120.26 1raf h LEU 202 Ca 0.29 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1raf h LEU 202 Cb -0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1raf h LEU 202 CO -0.08 0.50 0.11 0.44 0.09 0.00 0.00 178.44 179.50 1raf h ASP 203 N 0.08 0.15 -0.03 -0.43 3.32 -0.31 -1.04 116.42 118.16 1raf h ASP 203 Ca 0.05 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1raf h ASP 203 Cb 0.34 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1raf h ASP 203 CO 0.01 0.12 0.03 -0.08 -1.72 0.00 0.00 179.24 177.59 1raf h GLU 204 N 0.23 0.00 -0.41 3.56 4.81 -1.01 -0.18 114.58 121.59 1raf h GLU 204 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1raf h GLU 204 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1raf h GLU 204 CO -0.08 0.00 0.00 1.17 -0.73 0.00 0.00 179.01 179.37 1raf n LYS 205 N -4.21 2.09 -1.72 1.92 3.00 -0.43 -4.92 118.16 113.89 1raf n LYS 205 Ca -0.02 -1.68 -0.10 0.00 -0.00 0.00 0.00 58.31 56.51 1raf n LYS 205 Cb 0.12 -1.40 -0.03 0.00 0.00 0.00 0.00 35.03 33.73 1raf n LYS 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1raf n GLY 206 N 1.27 0.60 3.87 3.14 0.00 -0.08 -5.00 105.19 108.99 1raf n GLY 206 Ca 0.17 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1raf n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1raf s ILE 207 N -2.45 5.30 -0.08 -0.61 1.01 -0.96 -5.04 121.20 118.37 1raf s ILE 207 Ca 0.00 0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.80 1raf s ILE 207 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1raf s ILE 207 CO 0.00 0.53 0.75 0.00 0.00 0.00 0.00 174.94 176.22 1raf s ALA 208 N -1.13 3.35 0.07 9.38 0.00 -1.26 -4.48 121.76 127.69 1raf s ALA 208 Ca 0.22 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 1raf s ALA 208 Cb -0.14 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1raf s ALA 208 CO 0.10 -0.20 -0.00 1.67 0.00 0.00 0.00 175.76 177.33 1raf s TRP 209 N 1.04 0.58 0.04 0.00 1.48 -1.26 -1.19 118.94 119.64 1raf s TRP 209 Ca 0.39 -1.09 -0.19 0.00 -1.06 0.00 0.00 56.10 54.15 1raf s TRP 209 Cb -0.18 -0.40 0.04 0.00 -1.16 0.00 0.00 33.47 31.78 1raf s TRP 209 CO 0.18 -0.42 0.44 -1.54 -4.06 0.00 0.00 176.95 171.55 1raf s SER 210 N -2.95 -0.32 -0.07 -2.66 1.04 -0.24 -4.94 113.70 103.56 1raf s SER 210 Ca 0.11 0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 1raf s SER 210 Cb 0.08 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1raf s SER 210 CO -0.07 -0.68 0.08 -0.76 0.98 0.00 0.00 173.24 172.79 1raf s LEU 211 N -1.99 4.01 0.17 2.42 1.02 -1.26 -0.83 118.68 122.22 1raf s LEU 211 Ca -0.05 0.28 0.03 0.00 0.02 0.00 0.00 54.13 54.41 1raf s LEU 211 Cb -0.01 -2.08 -0.05 0.00 0.02 0.00 0.00 46.19 44.08 1raf s LEU 211 CO -0.02 0.35 -0.06 -1.00 0.02 0.00 0.00 176.35 175.65 1raf s HIS 212 N -1.05 1.29 -0.11 0.29 3.76 -0.49 -4.91 115.29 114.07 1raf s HIS 212 Ca 0.17 -0.86 0.20 0.00 -0.15 0.00 0.00 55.06 54.42 1raf s HIS 212 Cb -0.12 -0.70 -0.29 0.00 1.11 0.00 0.00 32.58 32.58 1raf s HIS 212 CO 0.07 -0.03 0.30 -1.13 -0.85 0.00 0.00 174.74 173.10 1raf n SER 213 N -0.24 0.02 -4.22 1.40 3.41 -1.26 -4.34 113.62 108.39 1raf n SER 213 Ca -0.08 0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.39 1raf n SER 213 Cb 0.62 1.49 -0.10 0.00 -0.26 0.00 0.00 64.21 65.95 1raf n SER 213 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1raf s SER 214 N -5.00 1.71 0.37 4.04 1.04 -1.26 -4.90 113.70 109.69 1raf s SER 214 Ca -0.09 -0.91 0.10 0.00 0.48 0.00 0.00 55.95 55.54 1raf s SER 214 Cb 0.10 -0.01 0.70 0.00 0.10 0.00 0.00 66.02 66.91 1raf s SER 214 CO 0.87 -0.27 1.84 0.40 0.98 0.00 0.00 173.24 177.06 1raf h ILE 215 N 3.18 1.24 0.00 -1.02 2.04 -1.93 -2.92 117.51 118.10 1raf h ILE 215 Ca -0.37 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1raf h ILE 215 Cb 1.19 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1raf h ILE 215 CO 0.57 0.33 0.00 -1.84 0.00 0.00 0.00 178.15 177.21 1raf n GLU 216 N -4.16 0.16 0.21 2.37 0.28 -1.26 -0.78 120.64 117.47 1raf n GLU 216 Ca -0.01 0.36 0.06 0.00 -0.16 0.00 0.00 57.16 57.41 1raf n GLU 216 Cb 0.36 -1.79 0.47 0.00 1.43 0.00 0.00 31.44 31.91 1raf n GLU 216 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1raf h GLU 217 N 0.00 0.00 0.00 3.44 5.08 -1.94 -3.36 114.58 117.79 1raf h GLU 217 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1raf h GLU 217 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1raf h GLU 217 CO 0.00 0.29 0.00 1.55 -1.00 0.00 0.00 179.01 179.85 1raf n VAL 218 N -3.82 0.00 -0.30 3.13 3.14 0.04 -4.81 118.33 115.71 1raf n VAL 218 Ca -0.01 -0.40 -0.01 0.00 -2.96 0.00 0.00 64.34 60.96 1raf n VAL 218 Cb 0.38 1.09 0.05 0.00 -1.06 0.00 0.00 33.84 34.30 1raf n VAL 218 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 1raf h MET 219 N 0.00 -0.05 -0.89 1.45 -1.53 -1.31 -1.22 114.93 111.38 1raf h MET 219 Ca 0.00 0.00 0.23 0.00 -3.44 0.00 0.00 59.70 56.50 1raf h MET 219 Cb 0.05 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.05 1raf h MET 219 CO 0.00 -0.03 0.62 0.00 0.14 0.00 0.00 176.91 177.63 1raf h ALA 220 N 1.41 2.53 -0.01 0.39 0.00 -1.86 -1.84 119.26 119.88 1raf h ALA 220 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1raf h ALA 220 Cb 0.59 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1raf h ALA 220 CO -0.87 -0.80 -0.48 0.39 0.00 0.00 0.00 179.25 177.49 1raf n GLU 221 N -4.40 0.85 -3.52 0.00 -0.58 -0.46 -4.54 120.64 107.99 1raf n GLU 221 Ca 0.19 -0.64 -0.35 0.00 -0.42 0.00 0.00 57.16 55.93 1raf n GLU 221 Cb 0.83 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 30.16 1raf n GLU 221 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1raf s VAL 222 N -2.59 5.04 -0.21 2.62 1.01 -0.69 -4.74 120.40 120.84 1raf s VAL 222 Ca 0.18 0.60 -0.10 0.00 0.00 0.00 0.00 61.98 62.66 1raf s VAL 222 Cb 0.18 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1raf s VAL 222 CO 0.60 0.34 -0.26 0.47 0.00 0.00 0.00 175.10 176.25 1raf n ASP 223 N 1.08 1.50 -4.17 3.32 8.00 -0.29 -4.55 116.55 121.44 1raf n ASP 223 Ca -0.09 0.24 -0.31 0.00 0.71 0.00 0.00 54.79 55.34 1raf n ASP 223 Cb 0.52 -0.60 -0.17 0.00 -0.02 0.00 0.00 41.12 40.86 1raf n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1raf s ILE 224 N -2.38 1.90 -0.33 0.53 -1.09 -1.19 -1.61 121.20 117.03 1raf s ILE 224 Ca -0.29 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.21 1raf s ILE 224 Cb 0.11 -1.66 0.07 0.00 -1.58 0.00 0.00 42.46 39.40 1raf s ILE 224 CO 0.37 0.52 0.05 -0.22 -1.23 0.00 0.00 174.94 174.43 1raf s LEU 225 N 0.53 4.32 -0.38 2.97 2.96 -0.16 -0.51 118.68 128.40 1raf s LEU 225 Ca -0.15 -1.58 -0.12 0.00 -0.22 0.00 0.00 54.13 52.06 1raf s LEU 225 Cb -0.17 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1raf s LEU 225 CO 0.05 -0.34 0.23 -0.47 -1.32 0.00 0.00 176.35 174.50 1raf s TYR 226 N 1.17 3.24 0.12 5.38 6.14 0.02 -1.95 117.35 131.47 1raf s TYR 226 Ca -0.00 -0.78 -0.11 0.00 0.64 0.00 0.00 57.07 56.81 1raf s TYR 226 Cb -0.20 -2.48 -0.06 0.00 0.42 0.00 0.00 41.96 39.63 1raf s TYR 226 CO -0.03 -0.60 0.47 -1.64 0.64 0.00 0.00 175.55 174.39 1raf s MET 227 N 1.60 3.84 0.26 4.97 -1.94 -0.52 -1.22 119.30 126.29 1raf s MET 227 Ca 0.03 0.29 0.09 0.00 -1.71 0.00 0.00 55.69 54.39 1raf s MET 227 Cb -0.19 -2.93 -0.05 0.00 2.01 0.00 0.00 34.83 33.67 1raf s MET 227 CO 0.08 0.50 -0.13 0.99 -0.01 0.00 0.00 175.02 176.45 1raf s THR 228 N -1.47 1.96 -0.02 2.05 2.01 0.05 -4.45 115.64 115.78 1raf s THR 228 Ca 0.36 -2.24 -0.16 0.00 0.31 0.00 0.00 61.69 59.97 1raf s THR 228 Cb -0.14 -2.29 -0.06 0.00 0.01 0.00 0.00 72.50 70.02 1raf s THR 228 CO 0.19 -0.42 0.44 0.00 -0.69 0.00 0.00 174.62 174.15 1raf s ARG 229 N -3.63 4.05 -0.02 4.92 1.70 -1.26 -4.62 118.95 120.09 1raf s ARG 229 Ca 0.28 0.46 -0.21 0.00 -0.47 0.00 0.00 55.73 55.79 1raf s ARG 229 Cb -0.00 -3.27 -0.05 0.00 -0.57 0.00 0.00 34.95 31.06 1raf s ARG 229 CO 0.11 0.57 0.61 0.08 -1.08 0.00 0.00 175.30 175.60 1raf s VAL 230 N -0.72 4.95 -0.29 4.99 1.01 -1.26 -4.39 120.40 124.69 1raf s VAL 230 Ca 0.25 1.28 -0.21 0.00 0.00 0.00 0.00 61.98 63.30 1raf s VAL 230 Cb -0.17 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1raf s VAL 230 CO 0.13 0.38 0.65 -1.10 0.00 0.00 0.00 175.10 175.16 1raf s GLN 231 N 0.05 3.98 0.62 2.72 -0.21 -1.26 -4.94 119.66 120.63 1raf s GLN 231 Ca 0.32 0.42 0.32 0.00 0.02 0.00 0.00 55.36 56.44 1raf s GLN 231 Cb -0.18 -3.70 1.78 0.00 1.00 0.00 0.00 33.01 31.91 1raf s GLN 231 CO 0.17 -0.52 2.09 1.57 -2.12 0.00 0.00 175.29 176.48 1raf h LYS 232 N 8.07 0.00 0.00 2.91 2.10 -1.96 -0.95 116.57 126.75 1raf h LYS 232 Ca -0.26 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.38 1raf h LYS 232 Cb 1.12 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1raf h LYS 232 CO 0.80 0.00 -0.03 0.93 -2.00 0.00 0.00 179.45 179.15 1raf h GLU 233 N 0.00 0.00 -0.00 0.07 5.08 -1.96 -2.66 114.58 115.10 1raf h GLU 233 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1raf h GLU 233 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1raf h GLU 233 CO -0.00 0.03 -0.06 0.54 -1.00 0.00 0.00 179.01 178.52 1raf n ARG 234 N -3.20 0.73 -4.25 2.33 5.12 -0.36 -4.85 116.66 112.18 1raf n ARG 234 Ca -0.01 -0.19 -0.17 0.00 -1.93 0.00 0.00 57.85 55.55 1raf n ARG 234 Cb 0.23 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 29.95 1raf n ARG 234 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1raf s LEU 235 N -2.40 1.56 0.33 0.55 1.43 -1.00 -5.10 118.68 114.05 1raf s LEU 235 Ca 0.32 -1.65 0.04 0.00 -1.03 0.00 0.00 54.13 51.81 1raf s LEU 235 Cb 0.20 0.56 -0.02 0.00 0.03 0.00 0.00 46.19 46.97 1raf s LEU 235 CO 0.45 -1.02 0.49 1.51 0.23 0.00 0.00 176.35 178.01 1raf s ASP 236 N -3.31 6.09 0.30 2.29 -4.77 -1.26 -4.94 116.67 111.08 1raf s ASP 236 Ca 0.40 0.08 0.02 0.00 -3.30 0.00 0.00 52.55 49.75 1raf s ASP 236 Cb 0.03 -1.60 0.74 0.00 -1.09 0.00 0.00 42.92 41.01 1raf s ASP 236 CO 0.23 -0.36 1.59 -0.65 0.70 0.00 0.00 175.17 176.68 1raf h PRO 237 N 0.85 0.05 -0.09 2.11 0.11 -1.99 0.02 132.00 133.06 1raf h PRO 237 Ca -0.48 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 1raf h PRO 237 Cb 1.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1raf h PRO 237 CO 0.57 0.03 -0.72 0.77 -0.21 0.00 0.00 178.00 178.45 1raf h SER 238 N 0.05 0.51 -0.45 -2.05 0.02 -1.98 -2.89 113.55 106.76 1raf h SER 238 Ca 0.58 -0.33 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 1raf h SER 238 Cb 1.21 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1raf h SER 238 CO -0.84 1.07 -0.16 -0.08 -1.14 0.00 0.00 176.83 175.67 1raf h GLU 239 N 0.30 0.91 -0.59 3.45 4.81 -1.36 0.39 114.58 122.48 1raf h GLU 239 Ca -0.03 -0.37 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 1raf h GLU 239 Cb 1.29 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1raf h GLU 239 CO 0.12 1.02 0.34 -0.92 -0.73 0.00 0.00 179.01 178.84 1raf h TYR 240 N 0.74 0.62 0.11 0.92 5.03 -1.42 -2.82 116.97 120.16 1raf h TYR 240 Ca 0.11 0.02 -0.27 0.00 2.58 0.00 0.00 58.73 61.17 1raf h TYR 240 Cb 0.72 -0.19 0.01 0.00 1.55 0.00 0.00 36.73 38.81 1raf h TYR 240 CO 0.05 0.33 -1.20 0.00 -1.32 0.00 0.00 178.16 176.02 1raf h ALA 241 N 1.28 0.13 -2.67 1.82 0.00 -1.29 -1.84 119.26 116.70 1raf h ALA 241 Ca 0.25 -0.86 -0.51 0.00 0.00 0.00 0.00 54.91 53.79 1raf h ALA 241 Cb 0.09 0.01 0.08 0.00 0.00 0.00 0.00 17.79 17.97 1raf h ALA 241 CO -0.14 0.94 0.45 1.21 0.00 0.00 0.00 179.25 181.71 1raf s ASN 242 N -7.15 5.57 0.00 0.00 3.84 0.11 -4.17 114.94 113.13 1raf s ASN 242 Ca -0.04 2.24 0.00 0.00 0.21 0.00 0.00 52.86 55.27 1raf s ASN 242 Cb 0.07 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 1raf s ASN 242 CO 0.88 -1.33 0.00 0.52 -2.79 0.00 0.00 177.10 174.39 1raf n VAL 243 N -1.37 0.00 0.02 -5.21 0.31 -1.26 -1.52 118.33 109.30 1raf n VAL 243 Ca 0.12 0.00 0.21 0.00 -0.01 0.00 0.00 64.34 64.66 1raf n VAL 243 Cb 0.50 0.00 0.72 0.00 -0.91 0.00 0.00 33.84 34.15 1raf n VAL 243 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1raf h LYS 244 N 0.00 0.00 -0.03 5.55 1.79 -1.83 -2.80 116.57 119.26 1raf h LYS 244 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1raf h LYS 244 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1raf h LYS 244 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1raf n ALA 245 N -2.55 1.57 -2.40 3.86 0.00 -0.57 -4.16 120.51 116.26 1raf n ALA 245 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 1raf n ALA 245 Cb 0.62 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 19.08 1raf n ALA 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1raf n GLN 246 N -0.33 5.10 -2.91 0.00 3.00 -1.06 -4.24 117.38 116.94 1raf n GLN 246 Ca 0.00 -4.22 -0.21 0.00 -0.01 0.00 0.00 57.00 52.56 1raf n GLN 246 Cb 0.01 -2.52 -0.02 0.00 0.00 0.00 0.00 30.24 27.71 1raf n GLN 246 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1raf n PHE 247 N 0.56 2.15 -4.00 1.08 3.01 -1.26 -4.93 117.46 114.07 1raf n PHE 247 Ca 0.53 -3.61 -0.18 0.00 1.01 0.00 0.00 57.45 55.20 1raf n PHE 247 Cb 0.26 -0.39 -0.16 0.00 -0.01 0.00 0.00 39.48 39.18 1raf n PHE 247 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1raf s VAL 248 N -3.71 0.29 -0.14 -4.37 0.11 -1.26 -4.77 120.40 106.55 1raf s VAL 248 Ca 0.42 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.39 1raf s VAL 248 Cb 0.35 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.79 1raf s VAL 248 CO -0.10 0.17 0.19 -0.22 -3.33 0.00 0.00 175.10 171.81 1raf s LEU 249 N 1.00 4.31 0.35 2.54 2.96 0.02 -4.99 118.68 124.87 1raf s LEU 249 Ca -0.10 0.44 0.06 0.00 -0.22 0.00 0.00 54.13 54.31 1raf s LEU 249 Cb -0.14 -2.18 -0.07 0.00 0.50 0.00 0.00 46.19 44.30 1raf s LEU 249 CO -0.01 0.26 0.01 -0.13 -1.32 0.00 0.00 176.35 175.16 1raf s ARG 250 N -0.27 1.77 0.23 1.98 0.52 -1.26 -0.25 118.95 121.66 1raf s ARG 250 Ca 0.14 -1.97 -0.03 0.00 -0.52 0.00 0.00 55.73 53.35 1raf s ARG 250 Cb -0.12 -1.29 0.23 0.00 0.52 0.00 0.00 34.95 34.29 1raf s ARG 250 CO 0.03 -0.07 1.64 0.00 0.02 0.00 0.00 175.30 176.92 1raf h ALA 251 N 2.00 0.91 -0.06 2.13 0.00 -1.88 -2.84 119.26 119.52 1raf h ALA 251 Ca -0.42 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.13 1raf h ALA 251 Cb 1.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1raf h ALA 251 CO 0.74 0.62 0.05 0.66 0.00 0.00 0.00 179.25 181.32 1raf h SER 252 N 0.60 0.00 0.94 0.00 4.64 -1.97 -0.69 113.55 117.07 1raf h SER 252 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1raf h SER 252 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1raf h SER 252 CO 0.06 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.46 1raf h ASP 253 N 0.00 0.00 0.65 4.97 3.32 -1.92 -2.90 116.42 120.54 1raf h ASP 253 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1raf h ASP 253 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1raf h ASP 253 CO -0.00 0.00 -0.16 0.18 -1.72 0.00 0.00 179.24 177.54 1raf n LEU 254 N -2.51 0.27 0.00 1.55 4.77 -0.27 -4.42 117.00 116.40 1raf n LEU 254 Ca 0.02 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1raf n LEU 254 Cb 0.28 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1raf n LEU 254 CO 0.23 0.06 0.00 1.41 -1.33 0.00 0.00 177.39 177.76 1raf n HIS 255 N -1.31 0.00 -1.11 -1.77 8.25 -1.10 0.10 115.22 118.29 1raf n HIS 255 Ca 0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1raf n HIS 255 Cb 0.31 -0.40 0.27 0.00 1.12 0.00 0.00 29.99 31.30 1raf n HIS 255 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1raf n ASN 256 N -3.30 4.06 -4.80 0.41 2.04 -1.26 -4.98 115.26 107.43 1raf n ASN 256 Ca 0.00 -3.26 -0.34 0.00 -0.44 0.00 0.00 54.58 50.54 1raf n ASN 256 Cb 0.00 -0.65 -0.04 0.00 -2.53 0.00 0.00 39.78 36.56 1raf n ASN 256 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1raf s ALA 257 N -2.99 2.91 0.72 -2.53 0.00 0.12 -4.32 121.76 115.67 1raf s ALA 257 Ca 0.49 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.91 1raf s ALA 257 Cb 0.40 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 20.30 1raf s ALA 257 CO 0.09 -0.28 1.25 0.15 0.00 0.00 0.00 175.76 176.97 1raf s LYS 258 N -3.11 2.11 0.61 0.00 1.02 -1.26 -4.85 119.74 114.27 1raf s LYS 258 Ca 0.66 1.91 0.41 0.00 0.02 0.00 0.00 55.97 58.97 1raf s LYS 258 Cb -0.17 -1.81 2.17 0.00 -0.52 0.00 0.00 37.83 37.50 1raf s LYS 258 CO 0.21 -1.90 2.25 0.00 -0.92 0.00 0.00 175.35 174.99 1raf h ALA 259 N -0.16 1.00 0.00 5.17 0.00 -1.95 -1.87 119.26 121.45 1raf h ALA 259 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1raf h ALA 259 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1raf h ALA 259 CO 0.50 0.00 -1.13 0.27 0.00 0.00 0.00 179.25 178.89 1raf n ASN 260 N -2.98 0.67 -4.68 0.00 0.23 -1.26 -4.98 115.26 102.27 1raf n ASN 260 Ca -0.02 -0.52 -0.43 0.00 -0.53 0.00 0.00 54.58 53.07 1raf n ASN 260 Cb 0.10 1.03 -0.01 0.00 -2.08 0.00 0.00 39.78 38.82 1raf n ASN 260 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1raf n MET 261 N -1.77 2.00 -4.44 -3.83 1.56 -0.70 -4.91 117.12 105.02 1raf n MET 261 Ca 0.02 0.70 -0.20 0.00 -0.27 0.00 0.00 57.70 57.96 1raf n MET 261 Cb 0.40 -2.27 -0.14 0.00 2.15 0.00 0.00 33.22 33.36 1raf n MET 261 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1raf s LYS 262 N -1.55 0.92 -0.22 2.12 3.01 -0.63 -4.57 119.74 118.81 1raf s LYS 262 Ca 0.58 -0.54 -0.08 0.00 -1.01 0.00 0.00 55.97 54.93 1raf s LYS 262 Cb -0.60 -0.89 -0.04 0.00 -1.01 0.00 0.00 37.83 35.29 1raf s LYS 262 CO 0.60 0.24 0.09 0.08 0.51 0.00 0.00 175.35 176.86 1raf s VAL 263 N -0.50 4.74 0.19 3.17 1.01 -0.36 -0.99 120.40 127.66 1raf s VAL 263 Ca 0.03 -0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.08 1raf s VAL 263 Cb -0.06 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1raf s VAL 263 CO 0.00 0.38 -0.23 -0.76 0.00 0.00 0.00 175.10 174.49 1raf s LEU 264 N 1.03 2.43 -0.30 3.92 1.02 -0.82 -1.59 118.68 124.37 1raf s LEU 264 Ca 0.05 -0.87 -0.10 0.00 0.02 0.00 0.00 54.13 53.23 1raf s LEU 264 Cb -0.14 -1.13 0.16 0.00 0.02 0.00 0.00 46.19 45.09 1raf s LEU 264 CO 0.03 0.11 0.80 -2.28 0.02 0.00 0.00 176.35 175.03 1raf s HIS 265 N -1.70 -1.09 0.62 0.29 2.46 -1.26 -1.44 115.29 113.17 1raf s HIS 265 Ca 0.20 1.65 0.29 0.00 0.47 0.00 0.00 55.06 57.67 1raf s HIS 265 Cb -0.08 0.56 1.55 0.00 -0.13 0.00 0.00 32.58 34.48 1raf s HIS 265 CO 0.09 -0.56 1.92 -1.00 -2.47 0.00 0.00 174.74 172.73 1raf h PRO 266 N 7.83 0.00 -0.93 2.88 0.13 -1.94 -3.46 132.00 136.50 1raf h PRO 266 Ca -0.18 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.03 1raf h PRO 266 Cb 1.12 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1raf h PRO 266 CO 0.10 0.00 -0.33 1.28 -0.23 0.00 0.00 178.00 178.83 1raf n LEU 267 N -3.39 -0.30 -4.75 1.56 4.77 -1.26 -5.00 117.00 108.62 1raf n LEU 267 Ca 0.04 0.66 -0.41 0.00 -0.03 0.00 0.00 56.01 56.26 1raf n LEU 267 Cb 0.52 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1raf n LEU 267 CO 0.22 -0.51 0.97 -2.84 -1.33 0.00 0.00 177.39 173.90 1raf s PRO 268 N -3.50 4.40 -0.04 3.23 0.02 -1.26 -5.08 135.00 132.76 1raf s PRO 268 Ca 0.00 2.11 -0.21 0.00 0.02 0.00 0.00 61.00 62.92 1raf s PRO 268 Cb 0.00 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1raf s PRO 268 CO 0.00 -0.19 0.61 0.50 -0.33 0.00 0.00 177.00 177.59 1raf s ARG 269 N -0.93 4.36 -0.00 5.54 3.00 -1.26 -4.79 118.95 124.87 1raf s ARG 269 Ca 0.53 0.74 -0.01 0.00 -1.00 0.00 0.00 55.73 55.98 1raf s ARG 269 Cb -0.38 -3.39 -0.00 0.00 0.00 0.00 0.00 34.95 31.18 1raf s ARG 269 CO 0.45 0.24 -0.02 0.28 0.00 0.00 0.00 175.30 176.24 1raf n VAL 270 N 3.22 0.14 -0.64 7.11 0.31 -1.26 -4.97 118.33 122.24 1raf n VAL 270 Ca -0.05 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1raf n VAL 270 Cb 0.51 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1raf n VAL 270 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1raf n ASP 271 N -2.65 0.52 0.14 4.52 5.68 -1.26 -4.76 116.55 118.75 1raf n ASP 271 Ca -0.01 -1.17 0.11 0.00 -0.50 0.00 0.00 54.79 53.23 1raf n ASP 271 Cb 0.03 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 40.53 1raf n ASP 271 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1raf n GLU 272 N -0.08 0.16 -4.16 0.11 0.00 -1.26 -4.23 120.64 111.17 1raf n GLU 272 Ca 0.00 0.54 -0.27 0.00 0.00 0.00 0.00 57.16 57.43 1raf n GLU 272 Cb 0.28 -1.90 -0.17 0.00 0.00 0.00 0.00 31.44 29.65 1raf n GLU 272 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1raf s ILE 273 N -3.43 1.21 0.38 3.84 1.01 -1.26 -0.80 121.20 122.15 1raf s ILE 273 Ca 0.01 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 1raf s ILE 273 Cb 0.07 -1.16 -0.10 0.00 0.01 0.00 0.00 42.46 41.28 1raf s ILE 273 CO 0.27 0.39 0.98 0.00 0.00 0.00 0.00 174.94 176.58 1raf s ALA 274 N 1.33 3.11 0.59 9.38 0.00 0.65 -4.93 121.76 131.89 1raf s ALA 274 Ca -0.01 0.54 0.35 0.00 0.00 0.00 0.00 51.96 52.84 1raf s ALA 274 Cb -0.14 -3.20 1.25 0.00 0.00 0.00 0.00 23.12 21.03 1raf s ALA 274 CO -0.05 0.03 1.47 1.15 0.00 0.00 0.00 175.76 178.36 1raf h THR 275 N 2.25 0.06 0.00 0.00 2.02 -1.94 -1.07 112.91 114.23 1raf h THR 275 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1raf h THR 275 Cb 1.20 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1raf h THR 275 CO 0.63 0.00 -0.10 -0.90 0.37 0.00 0.00 175.52 175.52 1raf n ASP 276 N -3.55 0.35 -0.04 4.18 5.75 -1.26 -3.05 116.55 118.93 1raf n ASP 276 Ca 0.28 0.41 -0.10 0.00 -0.01 0.00 0.00 54.79 55.37 1raf n ASP 276 Cb 1.58 -0.45 0.04 0.00 -1.03 0.00 0.00 41.12 41.27 1raf n ASP 276 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1raf h VAL 277 N 0.00 1.30 -1.16 2.12 2.07 -1.53 -3.13 116.25 115.93 1raf h VAL 277 Ca 0.00 -1.66 0.33 0.00 0.82 0.00 0.00 66.70 66.20 1raf h VAL 277 Cb 0.59 1.59 -0.10 0.00 -1.52 0.00 0.00 31.29 31.85 1raf h VAL 277 CO 0.00 0.53 0.76 0.44 0.02 0.00 0.00 177.57 179.32 1raf h ASP 278 N 0.55 0.33 0.05 0.57 3.32 -1.71 -0.48 116.42 119.04 1raf h ASP 278 Ca 0.03 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1raf h ASP 278 Cb 1.01 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1raf h ASP 278 CO 0.10 -0.01 -0.01 0.29 -1.72 0.00 0.00 179.24 177.88 1raf n LYS 279 N -4.59 1.15 -2.94 3.56 5.02 -1.18 -4.76 118.16 114.43 1raf n LYS 279 Ca 0.29 -0.32 -0.35 0.00 -2.02 0.00 0.00 58.31 55.92 1raf n LYS 279 Cb 1.11 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.56 1raf n LYS 279 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1raf s THR 280 N -2.07 4.44 -1.10 -0.18 2.01 -0.19 -4.95 115.64 113.60 1raf s THR 280 Ca 0.42 1.43 0.02 0.00 0.31 0.00 0.00 61.69 63.87 1raf s THR 280 Cb 0.21 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1raf s THR 280 CO 0.37 -0.04 1.01 -0.81 -0.69 0.00 0.00 174.62 174.47 1raf n PRO 281 N 0.07 0.01 0.07 4.92 -0.04 -1.26 -2.79 135.00 135.98 1raf n PRO 281 Ca 0.03 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1raf n PRO 281 Cb 0.52 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.66 1raf n PRO 281 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1raf h HIS 282 N 0.00 0.00 -2.73 0.54 3.86 -1.88 -3.45 115.15 111.48 1raf h HIS 282 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1raf h HIS 282 Cb 0.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1raf h HIS 282 CO 0.00 0.00 1.10 0.00 0.86 0.00 0.00 177.93 179.89 1raf s ALA 283 N -3.18 3.40 -0.05 2.45 0.00 -1.12 -1.22 121.76 122.04 1raf s ALA 283 Ca 0.06 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1raf s ALA 283 Cb 0.13 -3.80 0.11 0.00 0.00 0.00 0.00 23.12 19.56 1raf s ALA 283 CO 0.71 -1.73 1.00 1.87 0.00 0.00 0.00 175.76 177.61 1raf n TRP 284 N 7.94 0.00 -0.12 0.00 -0.00 -0.62 -4.83 117.44 119.81 1raf n TRP 284 Ca 0.18 -0.45 -0.01 0.00 -0.00 0.00 0.00 57.50 57.22 1raf n TRP 284 Cb 0.44 -0.08 0.24 0.00 -0.00 0.00 0.00 31.31 31.91 1raf n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 1raf h TYR 285 N 0.00 0.81 0.20 5.87 -0.00 -1.85 -1.04 116.97 120.95 1raf h TYR 285 Ca 0.00 -0.04 -0.31 0.00 -0.00 0.00 0.00 58.73 58.38 1raf h TYR 285 Cb 1.08 -0.25 0.02 0.00 -0.00 0.00 0.00 36.73 37.59 1raf h TYR 285 CO 0.04 0.62 -1.38 0.74 -0.00 0.00 0.00 178.16 178.18 1raf h PHE 286 N 0.80 0.76 0.00 0.10 0.04 -1.91 -1.94 116.94 114.78 1raf h PHE 286 Ca 0.19 -0.55 -0.01 0.00 2.80 0.00 0.00 57.97 60.40 1raf h PHE 286 Cb 0.15 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 1raf h PHE 286 CO 0.01 1.44 -0.07 1.96 -0.60 0.00 0.00 178.31 181.05 1raf h GLN 287 N 0.11 0.00 0.17 1.51 7.50 -1.89 -0.93 115.11 121.59 1raf h GLN 287 Ca -0.20 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 58.94 1raf h GLN 287 Cb 2.08 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.61 1raf h GLN 287 CO 0.24 0.07 -0.08 0.37 -1.50 0.00 0.00 178.83 177.93 1raf h GLN 288 N 0.00 -0.22 -0.91 1.46 4.15 -1.05 -2.57 115.11 115.97 1raf h GLN 288 Ca -0.00 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.61 1raf h GLN 288 Cb 0.32 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 27.96 1raf h GLN 288 CO 0.01 0.19 0.49 0.00 -1.93 0.00 0.00 178.83 177.59 1raf h ALA 289 N -0.30 1.44 -0.55 3.38 0.00 -0.52 -1.10 119.26 121.61 1raf h ALA 289 Ca -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1raf h ALA 289 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1raf h ALA 289 CO 0.04 -0.12 0.28 0.78 0.00 0.00 0.00 179.25 180.23 1raf h GLY 290 N 0.63 0.82 2.00 0.00 0.00 -1.22 -1.29 103.07 104.02 1raf h GLY 290 Ca 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1raf h GLY 290 CO -0.40 0.35 0.00 0.70 0.00 0.00 0.00 176.54 177.20 1raf n ASN 291 N -4.38 0.21 0.27 0.19 3.02 -0.43 -2.15 115.26 111.99 1raf n ASN 291 Ca 0.05 0.56 0.15 0.00 -0.03 0.00 0.00 54.58 55.31 1raf n ASN 291 Cb 0.12 -0.61 0.71 0.00 -0.61 0.00 0.00 39.78 39.39 1raf n ASN 291 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1raf h GLY 292 N 1.74 0.00 0.90 7.41 0.00 -1.11 -2.34 103.07 109.67 1raf h GLY 292 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1raf h GLY 292 CO 0.00 0.00 0.05 -2.22 0.00 0.00 0.00 176.54 174.37 1raf h ILE 293 N 0.00 1.24 0.13 2.60 1.08 -1.59 -1.74 117.51 119.23 1raf h ILE 293 Ca -0.00 -0.83 -0.20 0.00 -0.39 0.00 0.00 64.86 63.44 1raf h ILE 293 Cb 0.45 1.15 0.01 0.00 -3.07 0.00 0.00 36.82 35.37 1raf h ILE 293 CO 0.01 0.27 -0.91 -0.26 -0.69 0.00 0.00 178.15 176.58 1raf h PHE 294 N 0.37 0.49 -0.83 1.37 0.04 -1.60 -1.59 116.94 115.19 1raf h PHE 294 Ca 0.10 -0.36 0.08 0.00 2.80 0.00 0.00 57.97 60.59 1raf h PHE 294 Cb 0.36 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.43 1raf h PHE 294 CO 0.02 1.35 0.54 0.00 -0.60 0.00 0.00 178.31 179.62 1raf h ALA 295 N 0.04 1.66 -0.04 2.45 0.00 -1.53 0.80 119.26 122.65 1raf h ALA 295 Ca -0.17 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 1raf h ALA 295 Cb 1.63 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1raf h ALA 295 CO 0.12 0.19 -0.93 0.00 0.00 0.00 0.00 179.25 178.63 1raf h ARG 296 N 0.84 0.59 -0.79 0.00 3.08 -1.31 -2.86 114.38 113.93 1raf h ARG 296 Ca 0.37 -0.59 0.01 0.00 0.07 0.00 0.00 59.98 59.85 1raf h ARG 296 Cb 0.34 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1raf h ARG 296 CO -0.14 1.20 0.52 1.96 -1.07 0.00 0.00 179.97 182.44 1raf h GLN 297 N 0.36 1.02 -0.59 0.04 4.20 -0.65 -2.50 115.11 116.98 1raf h GLN 297 Ca -0.09 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1raf h GLN 297 Cb 1.56 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 29.08 1raf h GLN 297 CO 0.17 0.67 0.14 0.00 -0.67 0.00 0.00 178.83 179.15 1raf h ALA 298 N 1.30 1.13 -0.31 3.87 0.00 -0.68 -0.76 119.26 123.81 1raf h ALA 298 Ca 0.30 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1raf h ALA 298 Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1raf h ALA 298 CO -0.07 0.58 -0.12 1.25 0.00 0.00 0.00 179.25 180.89 1raf h LEU 299 N 0.89 0.65 -0.55 0.00 5.85 -1.32 0.02 115.31 120.84 1raf h LEU 299 Ca 0.19 -0.39 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 1raf h LEU 299 Cb 0.32 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1raf h LEU 299 CO -0.00 0.89 0.13 -0.07 -0.34 0.00 0.00 178.44 179.05 1raf h LEU 300 N 0.39 0.84 0.30 2.25 3.38 -1.31 -0.13 115.31 121.03 1raf h LEU 300 Ca 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1raf h LEU 300 Cb 0.64 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1raf h LEU 300 CO 0.04 0.86 -0.15 0.00 0.09 0.00 0.00 178.44 179.29 1raf h ALA 301 N 1.01 -0.41 -0.25 1.53 0.00 -1.02 -2.28 119.26 117.84 1raf h ALA 301 Ca 0.17 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1raf h ALA 301 Cb 0.35 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1raf h ALA 301 CO 0.00 -0.63 0.17 -0.07 0.00 0.00 0.00 179.25 178.72 1raf h LEU 302 N -0.61 0.14 0.08 0.00 3.38 -0.89 -1.82 115.31 115.59 1raf h LEU 302 Ca -0.04 -0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.63 1raf h LEU 302 Cb 0.44 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1raf h LEU 302 CO 0.07 0.10 -1.57 0.58 0.09 0.00 0.00 178.44 177.71 1raf h VAL 303 N 0.17 1.08 0.00 1.22 2.07 -0.82 -3.26 116.25 116.71 1raf h VAL 303 Ca 0.11 -2.79 -0.06 0.00 0.82 0.00 0.00 66.70 64.78 1raf h VAL 303 Cb 0.22 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1raf h VAL 303 CO -0.02 0.77 -0.91 -0.07 0.02 0.00 0.00 177.57 177.36 1raf h LEU 304 N 0.05 0.00 -9.11 2.57 3.38 -1.29 0.57 115.31 111.47 1raf h LEU 304 Ca -0.25 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.11 1raf h LEU 304 Cb 1.99 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.62 1raf h LEU 304 CO 0.13 0.23 -0.30 0.20 0.09 0.00 0.00 178.44 178.79 1raf s ASN 305 N -5.74 6.32 0.10 -0.43 -0.87 -0.70 -4.96 114.94 108.66 1raf s ASN 305 Ca 0.00 0.37 -0.27 0.00 -1.57 0.00 0.00 52.86 51.39 1raf s ASN 305 Cb 0.08 -2.19 -0.11 0.00 -0.02 0.00 0.00 41.25 39.01 1raf s ASN 305 CO 0.77 -0.04 1.66 0.03 -2.57 0.00 0.00 177.10 176.96 1raf h ARG 306 N 7.46 -0.41 -4.71 -0.60 2.47 -1.90 -3.43 114.38 113.28 1raf h ARG 306 Ca -0.36 0.03 -0.49 0.00 -1.26 0.00 0.00 59.98 57.89 1raf h ARG 306 Cb 1.16 0.09 -0.32 0.00 -1.65 0.00 0.00 29.97 29.26 1raf h ARG 306 CO 0.69 -0.27 -0.81 -0.51 0.56 0.00 0.00 179.97 179.63 1raf s ASP 307 N -4.84 1.64 -0.29 7.04 1.01 -1.26 -0.72 116.67 119.25 1raf s ASP 307 Ca -0.15 -0.27 -0.03 0.00 0.71 0.00 0.00 52.55 52.81 1raf s ASP 307 Cb 0.07 -0.60 0.03 0.00 1.01 0.00 0.00 42.92 43.44 1raf s ASP 307 CO 0.65 0.07 0.00 -0.22 0.21 0.00 0.00 175.17 175.88 1raf s LEU 308 N 0.39 3.69 -0.15 1.23 2.96 -1.26 -5.03 118.68 120.51 1raf s LEU 308 Ca -0.08 -1.04 -0.06 0.00 -0.22 0.00 0.00 54.13 52.73 1raf s LEU 308 Cb -0.13 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1raf s LEU 308 CO 0.02 -0.21 0.04 -0.69 -1.32 0.00 0.00 176.35 174.19 1raf s VAL 309 N 1.33 4.59 -0.14 1.68 1.01 -1.26 -5.12 120.40 122.49 1raf s VAL 309 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1raf s VAL 309 Cb -0.18 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1raf s VAL 309 CO -0.01 0.51 0.54 0.00 0.00 0.00 0.00 175.10 176.13