#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1raf s THR 2 N 0.00 0.71 -0.42 1.12 -4.23 -1.26 -4.63 115.64 106.93 1raf s THR 2 Ca 0.00 -0.36 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 1raf s THR 2 Cb 0.00 -0.97 0.32 0.00 1.34 0.00 0.00 72.50 73.19 1raf s THR 2 CO 0.00 0.08 1.20 1.57 -0.54 0.00 0.00 174.62 176.93 1raf n HIS 3 N 5.01 -2.28 0.00 3.99 -0.00 -1.26 -5.02 115.22 115.66 1raf n HIS 3 Ca -0.10 -1.79 0.00 0.00 -0.00 0.00 0.00 57.72 55.83 1raf n HIS 3 Cb 0.48 1.53 0.00 0.00 -0.00 0.00 0.00 29.99 32.01 1raf n HIS 3 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1raf n ASP 4 N 0.25 0.00 0.00 0.26 9.92 -1.26 -4.86 116.55 120.86 1raf n ASP 4 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1raf n ASP 4 Cb 0.73 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.21 1raf n ASP 4 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1raf n ASN 5 N 0.00 0.00 -0.11 -2.24 2.04 -1.26 -3.04 115.26 110.65 1raf n ASN 5 Ca 0.00 0.00 -0.23 0.00 -0.44 0.00 0.00 54.58 53.91 1raf n ASN 5 Cb 0.00 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.15 1raf n ASN 5 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 1raf n LYS 6 N 0.00 0.56 -2.02 -3.83 0.00 -1.26 -5.11 118.16 106.51 1raf n LYS 6 Ca 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 1raf n LYS 6 Cb 0.00 -1.64 0.00 0.00 -0.00 0.00 0.00 35.03 33.39 1raf n LYS 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1raf n LEU 7 N -4.39 -4.01 -4.27 -5.58 7.94 -1.17 -4.59 117.00 100.94 1raf n LEU 7 Ca -0.37 2.40 -0.34 0.00 -1.11 0.00 0.00 56.01 56.58 1raf n LEU 7 Cb 0.71 -2.60 -0.06 0.00 0.53 0.00 0.00 43.42 42.00 1raf n LEU 7 CO 0.13 -1.72 -0.22 0.00 -1.11 0.00 0.00 177.39 174.47 1raf n GLN 8 N 1.85 -2.02 -1.34 1.96 3.00 -1.26 -4.69 117.38 114.88 1raf n GLN 8 Ca 0.00 0.25 -0.51 0.00 -0.01 0.00 0.00 57.00 56.73 1raf n GLN 8 Cb 0.00 -4.51 -0.06 0.00 0.00 0.00 0.00 30.24 25.68 1raf n GLN 8 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1raf n VAL 9 N -4.36 0.58 -2.43 5.09 0.24 -1.26 -4.88 118.33 111.32 1raf n VAL 9 Ca -0.09 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.34 61.67 1raf n VAL 9 Cb 0.57 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.93 1raf n VAL 9 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1raf n GLU 10 N 1.22 2.77 -3.70 7.34 4.71 -1.26 -4.85 120.64 126.87 1raf n GLU 10 Ca 0.18 -3.05 -0.38 0.00 -0.01 0.00 0.00 57.16 53.90 1raf n GLU 10 Cb 0.12 -3.55 -0.12 0.00 -1.01 0.00 0.00 31.44 26.88 1raf n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1raf s ALA 11 N 5.98 3.23 0.25 0.62 0.00 -1.26 -5.08 121.76 125.51 1raf s ALA 11 Ca 0.58 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1raf s ALA 11 Cb 0.03 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 1raf s ALA 11 CO 0.09 -0.74 0.38 0.96 0.00 0.00 0.00 175.76 176.45 1raf s ILE 12 N 1.61 5.18 -0.10 0.00 -4.36 -1.26 -5.05 121.20 117.22 1raf s ILE 12 Ca 0.05 -0.96 -0.10 0.00 -0.26 0.00 0.00 60.65 59.38 1raf s ILE 12 Cb -0.16 -3.83 -0.08 0.00 1.25 0.00 0.00 42.46 39.63 1raf s ILE 12 CO 0.05 -0.33 0.28 0.50 0.24 0.00 0.00 174.94 175.68 1raf h LYS 13 N 1.13 -0.04 -5.48 0.37 3.64 -1.93 -3.39 116.57 110.87 1raf h LYS 13 Ca -0.52 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.31 1raf h LYS 13 Cb 1.23 0.01 -0.30 0.00 -0.41 0.00 0.00 32.23 32.75 1raf h LYS 13 CO 0.61 0.26 -0.84 1.03 -2.27 0.00 0.00 179.45 178.24 1raf s ARG 14 N -1.92 1.66 0.00 1.90 0.52 -1.26 -0.65 118.95 119.20 1raf s ARG 14 Ca -0.06 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1raf s ARG 14 Cb -0.01 -1.50 0.00 0.00 0.52 0.00 0.00 34.95 33.96 1raf s ARG 14 CO 0.22 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.26 1raf n GLY 15 N 2.93 -0.83 3.16 -3.53 0.00 -0.25 -0.97 105.19 105.71 1raf n GLY 15 Ca -0.17 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.47 1raf n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1raf s THR 16 N -3.00 1.50 -0.19 2.61 2.01 -0.26 -1.64 115.64 116.68 1raf s THR 16 Ca 0.00 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1raf s THR 16 Cb 0.00 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1raf s THR 16 CO 0.00 0.43 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.50 1raf s VAL 17 N -0.10 2.32 -0.29 3.82 1.01 -0.71 -1.33 120.40 125.11 1raf s VAL 17 Ca -0.01 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1raf s VAL 17 Cb -0.11 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1raf s VAL 17 CO 0.02 0.52 0.25 -0.63 0.00 0.00 0.00 175.10 175.25 1raf s ILE 18 N 1.31 5.27 0.33 2.22 1.01 0.31 -1.91 121.20 129.73 1raf s ILE 18 Ca 0.05 0.20 0.10 0.00 0.00 0.00 0.00 60.65 60.99 1raf s ILE 18 Cb -0.13 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 1raf s ILE 18 CO -0.11 0.17 -0.11 -0.62 0.00 0.00 0.00 174.94 174.27 1raf s ASP 19 N 1.73 3.64 -1.33 3.58 2.15 -1.11 -1.49 116.67 123.84 1raf s ASP 19 Ca 0.09 -1.17 -0.03 0.00 0.43 0.00 0.00 52.55 51.88 1raf s ASP 19 Cb -0.16 -0.33 0.01 0.00 -0.30 0.00 0.00 42.92 42.14 1raf s ASP 19 CO 0.11 -0.17 0.85 1.57 -0.17 0.00 0.00 175.17 177.36 1raf n HIS 20 N -0.75 -2.11 -2.80 -5.34 -0.00 -1.24 -1.94 115.22 101.05 1raf n HIS 20 Ca -0.05 0.89 -0.42 0.00 0.46 0.00 0.00 57.72 58.59 1raf n HIS 20 Cb 0.63 -4.53 -0.03 0.00 -0.12 0.00 0.00 29.99 25.94 1raf n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1raf s ILE 21 N -3.52 4.78 0.00 3.57 1.01 -0.86 -4.29 121.20 121.89 1raf s ILE 21 Ca 0.16 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.57 1raf s ILE 21 Cb -0.08 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1raf s ILE 21 CO 0.79 -0.10 0.00 -2.65 0.00 0.00 0.00 174.94 172.98 1raf n PRO 22 N 6.04 0.00 0.00 2.79 -0.02 -1.26 -0.05 135.00 142.50 1raf n PRO 22 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1raf n PRO 22 Cb 0.47 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 1raf n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1raf n ALA 23 N 0.00 -1.11 0.00 3.55 0.00 -1.26 -4.76 120.51 116.93 1raf n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1raf n ALA 23 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1raf n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1raf n GLN 24 N -1.05 0.00 0.12 0.00 3.00 -1.26 -4.44 117.38 113.75 1raf n GLN 24 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1raf n GLN 24 Cb 0.00 -2.31 0.04 0.00 0.00 0.00 0.00 30.24 27.97 1raf n GLN 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1raf h ILE 25 N 0.00 0.00 -0.61 5.09 5.03 -1.89 -3.36 117.51 121.77 1raf h ILE 25 Ca 0.00 -0.95 0.13 0.00 -0.12 0.00 0.00 64.86 63.91 1raf h ILE 25 Cb 0.00 1.54 -0.11 0.00 -3.03 0.00 0.00 36.82 35.22 1raf h ILE 25 CO 0.00 0.00 -0.06 1.23 -0.68 0.00 0.00 178.15 178.64 1raf h GLY 26 N 4.05 0.58 1.61 5.37 0.00 -1.87 0.10 103.07 112.90 1raf h GLY 26 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 47.33 47.23 1raf h GLY 26 CO 0.00 -0.22 -0.95 -2.75 0.00 0.00 0.00 176.54 172.62 1raf h PHE 27 N 0.07 0.52 -0.22 5.60 3.57 -1.96 -3.03 116.94 121.49 1raf h PHE 27 Ca 0.31 -0.29 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1raf h PHE 27 Cb 0.50 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1raf h PHE 27 CO -0.41 1.12 -0.06 0.87 -2.23 0.00 0.00 178.31 177.60 1raf h LYS 28 N 0.19 -0.00 -0.99 1.11 1.57 -1.42 -2.12 116.57 114.90 1raf h LYS 28 Ca -0.08 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1raf h LYS 28 Cb 1.59 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.84 1raf h LYS 28 CO 0.16 -0.00 0.65 -0.07 -0.57 0.00 0.00 179.45 179.62 1raf h LEU 29 N -0.00 1.07 -0.72 2.94 3.38 -1.01 0.23 115.31 121.20 1raf h LEU 29 Ca 0.11 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1raf h LEU 29 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1raf h LEU 29 CO -0.23 0.72 -0.30 -0.07 0.09 0.00 0.00 178.44 178.66 1raf h LEU 30 N 1.24 0.67 0.00 1.67 3.38 -1.33 -1.89 115.31 119.05 1raf h LEU 30 Ca 0.40 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1raf h LEU 30 Cb 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1raf h LEU 30 CO -0.14 0.93 0.00 -1.20 0.09 0.00 0.00 178.44 178.12 1raf n SER 31 N -4.08 0.00 -0.25 -0.43 7.64 -0.54 -2.52 113.62 113.45 1raf n SER 31 Ca -0.01 0.67 0.04 0.00 1.01 0.00 0.00 58.87 60.59 1raf n SER 31 Cb 0.46 -0.44 0.15 0.00 -1.01 0.00 0.00 64.21 63.37 1raf n SER 31 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1raf h LEU 32 N 0.00 -0.29 -2.53 -3.43 3.38 -0.69 0.14 115.31 111.88 1raf h LEU 32 Ca 0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1raf h LEU 32 Cb 0.00 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1raf h LEU 32 CO 0.00 -0.15 0.00 0.49 0.09 0.00 0.00 178.44 178.87 1raf n PHE 33 N -5.31 1.09 -4.15 1.13 3.72 -0.71 -4.92 117.46 108.32 1raf n PHE 33 Ca 0.13 -0.47 -0.41 0.00 -0.05 0.00 0.00 57.45 56.65 1raf n PHE 33 Cb 0.45 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 38.85 1raf n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1raf n LYS 34 N 1.11 -0.45 0.18 -1.08 5.02 0.47 -4.89 118.16 118.53 1raf n LYS 34 Ca 0.22 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.63 1raf n LYS 34 Cb 0.67 -2.70 0.16 0.00 -0.02 0.00 0.00 35.03 33.14 1raf n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1raf h LEU 35 N -2.25 0.00 -0.23 -0.35 3.38 -1.73 -3.31 115.31 110.82 1raf h LEU 35 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1raf h LEU 35 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1raf h LEU 35 CO 0.56 0.28 -0.01 0.35 0.09 0.00 0.00 178.44 179.71 1raf n THR 36 N -3.20 0.00 -2.19 0.22 -2.24 -1.26 -4.45 114.28 101.16 1raf n THR 36 Ca 0.02 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 1raf n THR 36 Cb 0.61 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1raf n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1raf n GLU 37 N -0.76 3.24 -3.45 -0.78 1.02 -1.25 -4.73 120.64 113.94 1raf n GLU 37 Ca 0.21 -3.17 -0.13 0.00 -0.02 0.00 0.00 57.16 54.06 1raf n GLU 37 Cb 0.19 -3.15 -0.03 0.00 -0.02 0.00 0.00 31.44 28.43 1raf n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1raf s THR 38 N 2.05 0.00 -2.45 2.62 -1.32 -1.26 -5.04 115.64 110.25 1raf s THR 38 Ca 0.44 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.16 1raf s THR 38 Cb 0.09 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.20 1raf s THR 38 CO -0.02 0.00 1.21 0.47 -2.21 0.00 0.00 174.62 174.07 1raf n ASP 39 N -0.08 2.37 -4.87 8.08 8.00 -1.26 -4.98 116.55 123.80 1raf n ASP 39 Ca -0.17 -1.69 -0.31 0.00 0.71 0.00 0.00 54.79 53.34 1raf n ASP 39 Cb 0.63 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 1raf n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1raf s GLN 40 N -2.26 3.80 0.03 -1.24 1.11 -1.26 -5.00 119.66 114.84 1raf s GLN 40 Ca 0.24 0.61 -0.30 0.00 0.01 0.00 0.00 55.36 55.92 1raf s GLN 40 Cb 0.19 -2.30 -0.08 0.00 -1.01 0.00 0.00 33.01 29.81 1raf s GLN 40 CO 0.45 -0.15 1.82 0.50 0.01 0.00 0.00 175.29 177.92 1raf s ARG 41 N -4.06 4.16 0.06 2.91 3.52 -1.26 -4.86 118.95 119.41 1raf s ARG 41 Ca 0.53 2.46 0.09 0.00 -0.13 0.00 0.00 55.73 58.69 1raf s ARG 41 Cb -0.10 -3.95 -0.03 0.00 -1.56 0.00 0.00 34.95 29.31 1raf s ARG 41 CO 0.34 -0.88 -0.26 0.42 -0.81 0.00 0.00 175.30 174.11 1raf s ILE 42 N 3.83 2.13 -0.05 4.11 1.01 -1.26 -1.55 121.20 129.42 1raf s ILE 42 Ca 0.81 -1.43 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1raf s ILE 42 Cb -0.40 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.26 1raf s ILE 42 CO 0.36 0.32 -0.04 0.42 0.00 0.00 0.00 174.94 176.01 1raf s THR 43 N -0.84 0.51 0.07 2.92 -4.23 -0.46 -4.98 115.64 108.62 1raf s THR 43 Ca 0.12 -0.08 0.09 0.00 -1.18 0.00 0.00 61.69 60.64 1raf s THR 43 Cb -0.10 -0.56 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 1raf s THR 43 CO 0.03 0.23 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.47 1raf s ILE 44 N 1.13 2.37 -0.11 2.99 1.01 -1.26 -0.28 121.20 127.05 1raf s ILE 44 Ca -0.08 -1.43 -0.01 0.00 0.00 0.00 0.00 60.65 59.14 1raf s ILE 44 Cb -0.14 -1.98 0.03 0.00 0.01 0.00 0.00 42.46 40.38 1raf s ILE 44 CO -0.01 0.29 -0.07 -0.83 0.00 0.00 0.00 174.94 174.32 1raf s GLY 45 N -1.51 0.78 -0.09 6.18 0.00 -0.46 -5.02 107.32 107.19 1raf s GLY 45 Ca 0.13 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.37 1raf s GLY 45 CO 0.04 0.85 -0.13 1.08 0.00 0.00 0.00 173.10 174.94 1raf s LEU 46 N 1.74 2.77 -1.12 0.66 1.43 -1.26 -1.79 118.68 121.11 1raf s LEU 46 Ca 0.05 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1raf s LEU 46 Cb -0.12 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1raf s LEU 46 CO -0.08 0.25 0.94 0.59 0.23 0.00 0.00 176.35 178.29 1raf n ASN 47 N 2.96 -2.96 -4.71 2.29 3.02 -0.80 -4.93 115.26 110.13 1raf n ASN 47 Ca -0.18 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.34 1raf n ASN 47 Cb 0.52 -4.96 -0.03 0.00 -0.61 0.00 0.00 39.78 34.70 1raf n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1raf s LEU 48 N -6.00 4.36 -0.16 3.41 1.43 0.22 -4.77 118.68 117.17 1raf s LEU 48 Ca 0.09 1.91 -0.39 0.00 -1.03 0.00 0.00 54.13 54.71 1raf s LEU 48 Cb -0.01 -3.57 -0.19 0.00 0.03 0.00 0.00 46.19 42.45 1raf s LEU 48 CO 0.70 -0.43 1.16 -2.65 0.23 0.00 0.00 176.35 175.37 1raf n PRO 49 N 4.02 0.00 -2.76 1.29 -0.02 -1.26 -0.50 135.00 135.77 1raf n PRO 49 Ca 0.08 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.48 1raf n PRO 49 Cb 0.48 -1.39 0.04 0.00 -0.02 0.00 0.00 33.50 32.61 1raf n PRO 49 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1raf n SER 50 N 2.20 -2.84 -0.36 2.55 3.41 -1.03 -4.84 113.62 112.70 1raf n SER 50 Ca 0.22 -3.28 0.32 0.00 -0.26 0.00 0.00 58.87 55.88 1raf n SER 50 Cb 0.03 1.76 0.59 0.00 -0.26 0.00 0.00 64.21 66.33 1raf n SER 50 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1raf h GLY 51 N 4.04 1.96 1.84 5.00 0.00 -1.89 0.33 103.07 114.35 1raf h GLY 51 Ca -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1raf h GLY 51 CO 0.32 -0.64 0.06 -1.84 0.00 0.00 0.00 176.54 174.44 1raf n GLU 52 N -5.06 0.12 -1.70 4.80 0.28 -1.26 -1.81 120.64 116.00 1raf n GLU 52 Ca 0.37 0.61 -0.02 0.00 -0.16 0.00 0.00 57.16 57.96 1raf n GLU 52 Cb 1.29 -1.94 0.01 0.00 1.43 0.00 0.00 31.44 32.22 1raf n GLU 52 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1raf n MET 53 N -2.14 0.50 0.00 3.44 2.81 0.79 -5.09 117.12 117.42 1raf n MET 53 Ca -0.01 -1.64 0.00 0.00 -1.81 0.00 0.00 57.70 54.24 1raf n MET 53 Cb 0.09 0.08 0.00 0.00 -0.71 0.00 0.00 33.22 32.67 1raf n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1raf n GLY 54 N -0.25 1.28 3.01 3.03 0.00 0.81 -4.63 105.19 108.44 1raf n GLY 54 Ca -0.12 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1raf n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1raf s ARG 55 N 0.00 0.39 0.35 1.61 0.52 -1.25 -2.47 118.95 118.09 1raf s ARG 55 Ca 0.00 -0.76 -0.08 0.00 -0.52 0.00 0.00 55.73 54.38 1raf s ARG 55 Cb 0.00 0.14 0.03 0.00 0.52 0.00 0.00 34.95 35.64 1raf s ARG 55 CO 0.00 -0.07 0.60 0.36 0.02 0.00 0.00 175.30 176.21 1raf n LYS 56 N 1.24 0.86 -4.62 3.54 2.85 0.34 -4.38 118.16 117.99 1raf n LYS 56 Ca -0.22 -2.37 -0.28 0.00 -1.05 0.00 0.00 58.31 54.39 1raf n LYS 56 Cb 0.56 2.57 -0.09 0.00 -0.65 0.00 0.00 35.03 37.43 1raf n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1raf s ASP 57 N -2.99 3.45 -0.29 -5.58 1.01 0.93 0.69 116.67 113.89 1raf s ASP 57 Ca 0.21 -1.57 -0.15 0.00 0.71 0.00 0.00 52.55 51.75 1raf s ASP 57 Cb -0.03 0.26 0.15 0.00 1.01 0.00 0.00 42.92 44.31 1raf s ASP 57 CO 0.16 -0.76 0.95 -0.22 0.21 0.00 0.00 175.17 175.51 1raf s LEU 58 N -3.71 -0.58 -0.07 1.23 0.20 -0.74 -2.03 118.68 112.98 1raf s LEU 58 Ca 0.21 0.87 0.04 0.00 0.69 0.00 0.00 54.13 55.93 1raf s LEU 58 Cb 0.04 1.76 -0.02 0.00 -0.43 0.00 0.00 46.19 47.55 1raf s LEU 58 CO 0.11 -0.13 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.23 1raf s ILE 59 N 1.81 2.67 -0.20 6.68 1.01 -0.56 -1.36 121.20 131.25 1raf s ILE 59 Ca -0.07 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 1raf s ILE 59 Cb -0.05 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.40 1raf s ILE 59 CO -0.16 0.57 -0.15 -0.54 0.00 0.00 0.00 174.94 174.66 1raf s LYS 60 N -0.27 3.04 -0.20 2.79 1.02 0.62 -0.53 119.74 126.20 1raf s LYS 60 Ca 0.01 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.20 1raf s LYS 60 Cb -0.13 -2.71 0.03 0.00 -0.52 0.00 0.00 37.83 34.50 1raf s LYS 60 CO 0.03 -0.23 -0.16 0.42 -0.92 0.00 0.00 175.35 174.49 1raf s ILE 61 N 1.33 1.97 0.16 2.17 1.01 -0.44 -1.36 121.20 126.04 1raf s ILE 61 Ca 0.04 -1.09 -0.29 0.00 0.00 0.00 0.00 60.65 59.31 1raf s ILE 61 Cb -0.14 -1.90 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 1raf s ILE 61 CO -0.10 0.34 0.92 -1.61 0.00 0.00 0.00 174.94 174.48 1raf s GLU 62 N 1.28 4.73 -1.40 2.79 2.02 -0.59 -1.10 118.70 126.43 1raf s GLU 62 Ca 0.01 1.40 -0.10 0.00 0.02 0.00 0.00 54.97 56.30 1raf s GLU 62 Cb -0.15 -3.33 0.03 0.00 0.10 0.00 0.00 34.13 30.78 1raf s GLU 62 CO -0.10 0.37 1.14 0.09 0.02 0.00 0.00 175.26 176.79 1raf n ASN 63 N 2.17 -6.07 -3.90 -0.19 3.02 -0.14 -4.62 115.26 105.52 1raf n ASN 63 Ca -0.01 -0.59 -0.15 0.00 -0.03 0.00 0.00 54.58 53.80 1raf n ASN 63 Cb 0.48 -4.79 -0.15 0.00 -0.61 0.00 0.00 39.78 34.72 1raf n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1raf s THR 64 N -3.31 0.25 -0.44 3.41 2.01 -1.25 -4.95 115.64 111.35 1raf s THR 64 Ca 0.61 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.53 1raf s THR 64 Cb -0.28 -0.25 0.14 0.00 0.01 0.00 0.00 72.50 72.12 1raf s THR 64 CO 0.75 0.09 0.24 -0.36 -0.69 0.00 0.00 174.62 174.65 1raf s PHE 65 N 0.19 2.05 -0.15 4.92 0.08 -1.26 -2.94 117.98 120.86 1raf s PHE 65 Ca -0.02 -2.46 -0.24 0.00 0.12 0.00 0.00 56.93 54.32 1raf s PHE 65 Cb -0.04 -1.94 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1raf s PHE 65 CO -0.00 -0.78 0.79 -1.17 -0.10 0.00 0.00 175.22 173.95 1raf s LEU 66 N 0.32 4.20 0.20 -0.37 0.20 -1.26 -5.00 118.68 116.97 1raf s LEU 66 Ca 0.18 1.14 -0.11 0.00 0.69 0.00 0.00 54.13 56.03 1raf s LEU 66 Cb -0.24 -3.17 -0.00 0.00 -0.43 0.00 0.00 46.19 42.34 1raf s LEU 66 CO 0.00 -0.34 0.37 -0.44 -0.29 0.00 0.00 176.35 175.66 1raf s SER 67 N 1.11 -0.04 0.00 3.68 0.01 -1.26 -4.68 113.70 112.52 1raf s SER 67 Ca 0.37 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1raf s SER 67 Cb -0.17 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1raf s SER 67 CO 0.13 -0.99 0.00 -0.62 0.41 0.00 0.00 173.24 172.17 1raf n GLU 68 N -0.29 0.00 0.12 12.44 1.02 -1.26 -1.32 120.64 131.35 1raf n GLU 68 Ca -0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 1raf n GLU 68 Cb 0.63 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.97 1raf n GLU 68 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1raf h ASP 69 N 0.00 -0.23 -0.50 1.62 2.03 -1.99 -1.60 116.42 115.76 1raf h ASP 69 Ca 0.00 -0.10 0.10 0.00 -0.73 0.00 0.00 57.03 56.29 1raf h ASP 69 Cb 0.00 0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 38.53 1raf h ASP 69 CO 0.00 -0.03 0.34 1.56 -1.03 0.00 0.00 179.24 180.08 1raf h GLN 70 N -0.42 0.24 0.04 4.15 4.20 -1.56 -0.10 115.11 121.66 1raf h GLN 70 Ca -0.03 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1raf h GLN 70 Cb 0.32 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1raf h GLN 70 CO 0.05 0.16 -0.42 0.28 -0.67 0.00 0.00 178.83 178.23 1raf h VAL 71 N 0.25 1.57 0.00 -0.54 2.07 -1.67 -3.29 116.25 114.64 1raf h VAL 71 Ca 0.23 -2.22 -0.00 0.00 0.82 0.00 0.00 66.70 65.53 1raf h VAL 71 Cb 0.59 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1raf h VAL 71 CO -0.05 0.61 -0.00 0.44 0.02 0.00 0.00 177.57 178.60 1raf h ASP 72 N -0.50 0.00 -0.82 0.57 5.19 -0.05 -2.41 116.42 118.40 1raf h ASP 72 Ca -0.06 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.43 1raf h ASP 72 Cb 1.24 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.69 1raf h ASP 72 CO 0.08 0.00 0.53 -0.61 -3.12 0.00 0.00 179.24 176.13 1raf h GLN 73 N 0.00 0.79 0.00 3.56 5.75 -1.27 -1.26 115.11 122.69 1raf h GLN 73 Ca -0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1raf h GLN 73 Cb 0.00 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.37 1raf h GLN 73 CO 0.00 0.52 0.00 1.28 -2.65 0.00 0.00 178.83 177.98 1raf n LEU 74 N -4.50 0.43 -0.23 -2.39 4.77 -0.91 -3.11 117.00 111.06 1raf n LEU 74 Ca 0.13 0.61 0.19 0.00 -0.03 0.00 0.00 56.01 56.91 1raf n LEU 74 Cb 0.28 -0.55 0.52 0.00 -2.33 0.00 0.00 43.42 41.35 1raf n LEU 74 CO 0.32 -0.44 1.22 0.00 -1.33 0.00 0.00 177.39 177.16 1raf h ALA 75 N 2.36 2.22 0.00 -1.18 0.00 -1.36 0.32 119.26 121.62 1raf h ALA 75 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1raf h ALA 75 Cb 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1raf h ALA 75 CO 0.00 -0.50 -0.10 1.25 0.00 0.00 0.00 179.25 179.90 1raf h LEU 76 N 0.39 0.00 0.00 0.00 5.85 -1.77 -3.29 115.31 116.49 1raf h LEU 76 Ca 0.45 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.85 1raf h LEU 76 Cb 1.15 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1raf h LEU 76 CO -0.16 0.10 -2.12 -1.22 -0.34 0.00 0.00 178.44 174.70 1raf n TYR 77 N -3.19 0.00 -3.23 1.25 4.01 -0.05 -4.79 117.16 111.17 1raf n TYR 77 Ca 0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.50 1raf n TYR 77 Cb 0.41 -0.73 -0.06 0.00 -0.31 0.00 0.00 39.34 38.65 1raf n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1raf n ALA 78 N -3.58 3.54 0.13 -0.72 0.00 -0.34 -4.91 120.51 114.62 1raf n ALA 78 Ca -0.38 -4.25 0.19 0.00 0.00 0.00 0.00 53.44 49.00 1raf n ALA 78 Cb 0.81 -0.84 0.69 0.00 0.00 0.00 0.00 19.45 20.11 1raf n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1raf h PRO 79 N 3.72 0.00 -4.12 0.00 0.13 -1.74 -2.99 132.00 126.99 1raf h PRO 79 Ca 0.14 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.65 1raf h PRO 79 Cb 0.72 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.45 1raf h PRO 79 CO 0.70 0.00 -0.74 1.14 -0.23 0.00 0.00 178.00 178.86 1raf s GLN 80 N -4.43 1.14 -0.04 0.86 -2.07 -1.26 -4.69 119.66 109.17 1raf s GLN 80 Ca -0.04 -1.39 -0.03 0.00 -1.82 0.00 0.00 55.36 52.09 1raf s GLN 80 Cb 0.13 -2.56 0.02 0.00 -1.09 0.00 0.00 33.01 29.50 1raf s GLN 80 CO 0.44 -0.92 0.09 0.00 -1.32 0.00 0.00 175.29 173.59 1raf s ALA 81 N 1.30 -0.20 -0.28 2.60 0.00 -1.13 -4.62 121.76 119.43 1raf s ALA 81 Ca 0.08 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 1raf s ALA 81 Cb -0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 1raf s ALA 81 CO -0.16 -0.07 0.07 0.95 0.00 0.00 0.00 175.76 176.55 1raf s THR 82 N 0.38 4.00 0.32 0.00 -4.23 -0.82 -4.09 115.64 111.20 1raf s THR 82 Ca -0.03 -0.57 -0.21 0.00 -1.18 0.00 0.00 61.69 59.71 1raf s THR 82 Cb -0.04 -3.00 -0.09 0.00 1.34 0.00 0.00 72.50 70.70 1raf s THR 82 CO -0.01 0.16 0.84 -0.69 -0.54 0.00 0.00 174.62 174.38 1raf s VAL 83 N 1.52 4.45 -0.10 2.29 1.01 0.41 -2.76 120.40 127.23 1raf s VAL 83 Ca 0.04 1.42 -0.00 0.00 0.00 0.00 0.00 61.98 63.43 1raf s VAL 83 Cb -0.16 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1raf s VAL 83 CO 0.02 -0.01 -0.06 0.20 0.00 0.00 0.00 175.10 175.25 1raf s ASN 84 N -1.89 1.94 0.56 3.32 0.01 -0.80 0.05 114.94 118.12 1raf s ASN 84 Ca 0.52 -0.23 -0.06 0.00 -0.71 0.00 0.00 52.86 52.38 1raf s ASN 84 Cb -0.14 -0.71 -0.01 0.00 0.41 0.00 0.00 41.25 40.80 1raf s ASN 84 CO 0.19 -0.13 0.87 0.00 -1.51 0.00 0.00 177.10 176.52 1raf s ARG 85 N 1.68 3.11 -0.10 -0.60 3.03 0.51 -1.74 118.95 124.84 1raf s ARG 85 Ca 0.03 0.06 -0.05 0.00 2.03 0.00 0.00 55.73 57.80 1raf s ARG 85 Cb -0.13 -2.30 0.04 0.00 -1.03 0.00 0.00 34.95 31.54 1raf s ARG 85 CO -0.06 -0.55 0.25 0.42 -1.13 0.00 0.00 175.30 174.22 1raf s ILE 86 N -2.92 -0.04 -0.10 4.99 1.01 -0.65 -1.63 121.20 121.86 1raf s ILE 86 Ca 0.52 0.14 0.04 0.00 0.00 0.00 0.00 60.65 61.35 1raf s ILE 86 Cb -0.10 -0.38 -0.09 0.00 0.01 0.00 0.00 42.46 41.90 1raf s ILE 86 CO 0.45 0.06 -0.03 -0.90 0.00 0.00 0.00 174.94 174.52 1raf n ASP 87 N 4.15 3.00 -3.27 3.58 5.75 -1.23 -1.09 116.55 127.43 1raf n ASP 87 Ca -0.25 -0.03 -0.01 0.00 -0.01 0.00 0.00 54.79 54.50 1raf n ASP 87 Cb 0.53 0.30 -0.04 0.00 -1.03 0.00 0.00 41.12 40.89 1raf n ASP 87 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1raf s ASN 88 N -4.53 -0.87 0.00 -1.12 3.84 -1.05 -4.58 114.94 106.63 1raf s ASN 88 Ca -0.09 0.76 0.00 0.00 0.21 0.00 0.00 52.86 53.74 1raf s ASN 88 Cb 0.03 1.85 0.00 0.00 -0.55 0.00 0.00 41.25 42.58 1raf s ASN 88 CO 0.31 -0.27 0.00 -1.22 -2.79 0.00 0.00 177.10 173.13 1raf n TYR 89 N 5.41 0.00 -3.44 0.43 4.01 0.17 -4.76 117.16 118.99 1raf n TYR 89 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 1raf n TYR 89 Cb 0.51 -0.34 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 1raf n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1raf s GLU 90 N 0.00 1.26 -0.47 -0.72 2.56 -1.26 -4.97 118.70 115.10 1raf s GLU 90 Ca 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 54.97 54.10 1raf s GLU 90 Cb 0.00 0.58 -0.18 0.00 2.00 0.00 0.00 34.13 36.53 1raf s GLU 90 CO 0.00 -0.54 1.71 0.28 -0.56 0.00 0.00 175.26 176.15 1raf n VAL 91 N -0.30 0.00 -2.29 3.70 0.31 -1.26 -3.51 118.33 114.98 1raf n VAL 91 Ca -0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 63.98 1raf n VAL 91 Cb 0.64 -0.47 0.02 0.00 -0.91 0.00 0.00 33.84 33.13 1raf n VAL 91 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1raf n VAL 92 N 4.72 2.15 0.00 2.52 3.14 -0.65 -4.97 118.33 125.24 1raf n VAL 92 Ca 0.38 -3.95 0.00 0.00 -2.96 0.00 0.00 64.34 57.81 1raf n VAL 92 Cb -0.05 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 1raf n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1raf n GLY 93 N -0.63 3.45 3.77 7.55 0.00 -1.26 -4.72 105.19 113.36 1raf n GLY 93 Ca 0.33 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1raf n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1raf s LYS 94 N -2.46 3.15 -0.01 1.61 1.02 -1.26 -0.36 119.74 121.42 1raf s LYS 94 Ca 0.00 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 55.64 1raf s LYS 94 Cb 0.00 -2.93 0.01 0.00 -0.52 0.00 0.00 37.83 34.39 1raf s LYS 94 CO 0.00 0.71 -0.01 -1.12 -0.92 0.00 0.00 175.35 174.00 1raf s SER 95 N -1.22 0.34 0.03 2.83 0.01 0.11 -4.96 113.70 110.83 1raf s SER 95 Ca 0.17 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1raf s SER 95 Cb -0.12 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1raf s SER 95 CO 0.07 -0.03 0.11 -0.60 0.41 0.00 0.00 173.24 173.21 1raf s ARG 96 N 0.40 3.12 0.12 12.44 6.06 -1.26 -0.44 118.95 139.39 1raf s ARG 96 Ca -0.04 -0.52 -0.31 0.00 -2.50 0.00 0.00 55.73 52.36 1raf s ARG 96 Cb -0.06 -2.88 -0.09 0.00 0.06 0.00 0.00 34.95 31.98 1raf s ARG 96 CO -0.01 0.62 1.49 -1.25 -2.50 0.00 0.00 175.30 173.65 1raf s PRO 97 N -2.07 4.26 0.03 5.12 0.04 -1.26 -4.88 135.00 136.25 1raf s PRO 97 Ca 0.27 2.21 0.01 0.00 0.04 0.00 0.00 61.00 63.53 1raf s PRO 97 Cb -0.12 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1raf s PRO 97 CO 0.19 -0.54 0.09 -1.12 0.04 0.00 0.00 177.00 175.66 1raf s SER 98 N 1.29 5.70 0.13 6.66 0.01 -1.26 -4.90 113.70 121.33 1raf s SER 98 Ca 0.68 0.11 -0.31 0.00 1.31 0.00 0.00 55.95 57.73 1raf s SER 98 Cb -0.40 -1.61 -0.09 0.00 0.21 0.00 0.00 66.02 64.14 1raf s SER 98 CO 0.31 0.23 1.45 -0.22 0.41 0.00 0.00 173.24 175.41 1raf s LEU 99 N -2.05 4.37 0.00 2.44 2.96 -1.26 -4.48 118.68 120.66 1raf s LEU 99 Ca 0.26 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 1raf s LEU 99 Cb -0.12 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1raf s LEU 99 CO 0.18 -0.71 0.00 -0.81 -1.32 0.00 0.00 176.35 173.69 1raf n PRO 100 N 4.02 0.32 0.12 0.98 -0.04 -1.26 -5.02 135.00 134.13 1raf n PRO 100 Ca 0.12 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.34 1raf n PRO 100 Cb 0.41 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.72 1raf n PRO 100 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1raf h GLU 101 N 0.00 0.49 -4.04 0.54 4.57 -1.95 -3.44 114.58 110.75 1raf h GLU 101 Ca 0.00 -0.84 -0.13 0.00 -1.18 0.00 0.00 59.36 57.21 1raf h GLU 101 Cb 0.00 0.31 -0.17 0.00 -0.16 0.00 0.00 28.75 28.73 1raf h GLU 101 CO 0.00 1.40 -0.63 0.50 -1.18 0.00 0.00 179.01 179.10 1raf s ARG 102 N -2.59 0.55 -0.15 1.92 3.52 -1.26 -2.72 118.95 118.22 1raf s ARG 102 Ca -0.12 -0.95 0.00 0.00 -0.13 0.00 0.00 55.73 54.54 1raf s ARG 102 Cb 0.04 0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.66 1raf s ARG 102 CO 0.91 -0.11 -0.11 0.42 -0.81 0.00 0.00 175.30 175.60 1raf s ILE 103 N -3.01 1.36 0.23 4.11 1.01 -0.39 -4.95 121.20 119.55 1raf s ILE 103 Ca -0.02 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.13 1raf s ILE 103 Cb 0.01 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1raf s ILE 103 CO -0.07 0.36 0.16 -1.81 0.00 0.00 0.00 174.94 173.59 1raf s ASP 104 N 1.56 5.43 0.00 3.58 1.01 -1.26 -1.18 116.67 125.82 1raf s ASP 104 Ca 0.04 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.04 1raf s ASP 104 Cb -0.13 -1.36 0.00 0.00 1.01 0.00 0.00 42.92 42.43 1raf s ASP 104 CO -0.09 -0.01 0.00 0.59 0.21 0.00 0.00 175.17 175.87 1raf n ASN 105 N -0.94 0.00 -4.34 0.27 3.02 0.37 -4.76 115.26 108.88 1raf n ASN 105 Ca -0.08 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.05 1raf n ASN 105 Cb 0.57 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.65 1raf n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1raf s VAL 106 N 0.00 4.80 0.00 2.41 1.01 -1.26 -4.45 120.40 122.91 1raf s VAL 106 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1raf s VAL 106 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1raf s VAL 106 CO 0.00 -0.53 0.00 0.18 0.00 0.00 0.00 175.10 174.75 1raf n LEU 107 N 5.08 0.00 -3.89 3.92 4.77 -1.26 -5.02 117.00 120.59 1raf n LEU 107 Ca -0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 1raf n LEU 107 Cb 0.44 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 1raf n LEU 107 CO 0.43 0.00 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.43 1raf s VAL 108 N -2.00 0.12 -0.07 4.08 1.01 -1.26 -4.80 120.40 117.48 1raf s VAL 108 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1raf s VAL 108 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 1raf s VAL 108 CO 0.00 0.03 1.56 0.00 0.00 0.00 0.00 175.10 176.69 1raf h PRO 110 N 9.13 0.03 -6.17 0.00 0.11 -1.91 -3.41 132.00 129.77 1raf h PRO 110 Ca -0.37 -0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.19 1raf h PRO 110 Cb 1.16 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1raf h PRO 110 CO 0.95 0.02 1.31 1.21 -0.21 0.00 0.00 178.00 181.28 1raf s ASN 111 N -5.44 5.69 0.56 -2.05 2.47 -1.26 -4.88 114.94 110.03 1raf s ASN 111 Ca -0.05 1.08 0.34 0.00 0.42 0.00 0.00 52.86 54.65 1raf s ASN 111 Cb 0.22 -2.53 1.61 0.00 -1.45 0.00 0.00 41.25 39.11 1raf s ASN 111 CO 0.79 -1.91 2.09 0.77 -3.72 0.00 0.00 177.10 175.12 1raf h SER 112 N 13.64 0.00 -0.15 -4.21 4.64 -2.04 -2.20 113.55 123.23 1raf h SER 112 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1raf h SER 112 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1raf h SER 112 CO 1.08 0.05 0.00 -3.20 -0.87 0.00 0.00 176.83 173.89 1raf n ASN 113 N -3.26 1.48 -4.75 4.97 5.15 -1.26 -4.87 115.26 112.72 1raf n ASN 113 Ca -0.01 -1.68 -0.41 0.00 -0.60 0.00 0.00 54.58 51.88 1raf n ASN 113 Cb 0.24 -0.09 -0.03 0.00 -0.53 0.00 0.00 39.78 39.37 1raf n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1raf h ILE 115 N 3.54 0.38 0.00 0.00 6.09 -1.90 -3.02 117.51 122.60 1raf h ILE 115 Ca -0.46 -0.48 0.00 0.00 -1.37 0.00 0.00 64.86 62.55 1raf h ILE 115 Cb 1.22 1.34 0.00 0.00 0.47 0.00 0.00 36.82 39.85 1raf h ILE 115 CO 0.74 0.08 0.16 0.77 -3.07 0.00 0.00 178.15 176.84 1raf h SER 116 N 0.00 0.00 -0.15 2.19 4.64 -1.92 -2.91 113.55 115.41 1raf h SER 116 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1raf h SER 116 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1raf h SER 116 CO 0.01 0.00 -0.72 0.45 -0.87 0.00 0.00 176.83 175.71 1raf h HIS 117 N 0.00 1.00 -0.05 4.77 3.86 -1.89 -3.32 115.15 119.52 1raf h HIS 117 Ca 0.00 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1raf h HIS 117 Cb 0.32 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1raf h HIS 117 CO 0.00 1.26 0.00 0.00 0.86 0.00 0.00 177.93 180.05 1raf n ALA 118 N -2.59 2.49 -2.60 2.45 0.00 -1.10 -5.01 120.51 114.14 1raf n ALA 118 Ca -0.08 -0.65 -0.25 0.00 0.00 0.00 0.00 53.44 52.46 1raf n ALA 118 Cb 0.71 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 19.18 1raf n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1raf s GLU 119 N -1.97 2.15 -0.74 0.00 0.41 -1.23 -5.01 118.70 112.32 1raf s GLU 119 Ca 0.31 -1.32 -0.06 0.00 -0.41 0.00 0.00 54.97 53.50 1raf s GLU 119 Cb 0.20 -2.16 -0.09 0.00 -1.78 0.00 0.00 34.13 30.30 1raf s GLU 119 CO 0.31 0.41 2.29 -0.35 -0.49 0.00 0.00 175.26 177.43 1raf n PRO 120 N -0.29 2.02 -4.36 0.39 -0.04 -1.26 -4.81 135.00 126.65 1raf n PRO 120 Ca -0.09 -1.30 -0.26 0.00 -0.04 0.00 0.00 63.50 61.81 1raf n PRO 120 Cb 0.57 -2.31 -0.12 0.00 -0.04 0.00 0.00 33.50 31.59 1raf n PRO 120 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1raf s VAL 121 N 2.82 2.06 -0.20 0.52 0.11 -1.26 -5.10 120.40 119.34 1raf s VAL 121 Ca 0.43 -1.77 -0.09 0.00 -2.93 0.00 0.00 61.98 57.62 1raf s VAL 121 Cb 0.14 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.07 1raf s VAL 121 CO -0.03 -0.05 0.10 -0.94 -3.33 0.00 0.00 175.10 170.85 1raf s SER 122 N -2.22 5.87 0.78 3.54 1.04 -1.26 -5.05 113.70 116.39 1raf s SER 122 Ca 0.13 0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 1raf s SER 122 Cb -0.09 -2.02 0.06 0.00 0.10 0.00 0.00 66.02 64.07 1raf s SER 122 CO 0.06 0.15 1.14 -1.54 0.98 0.00 0.00 173.24 174.03 1raf n SER 123 N 3.69 0.90 -3.67 7.02 3.41 -1.26 -4.70 113.62 119.01 1raf n SER 123 Ca -0.16 0.61 -0.08 0.00 -0.26 0.00 0.00 58.87 58.98 1raf n SER 123 Cb 0.52 -1.48 -0.09 0.00 -0.26 0.00 0.00 64.21 62.90 1raf n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1raf s SER 124 N -1.96 -0.66 0.04 4.04 0.15 -1.26 -0.48 113.70 113.56 1raf s SER 124 Ca 0.74 1.16 0.06 0.00 0.70 0.00 0.00 55.95 58.60 1raf s SER 124 Cb -0.31 1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 65.16 1raf s SER 124 CO 0.50 -0.22 -0.16 -0.36 1.20 0.00 0.00 173.24 174.21 1raf s PHE 125 N 1.78 1.41 -0.15 3.44 0.40 -0.32 -1.19 117.98 123.35 1raf s PHE 125 Ca -0.08 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 55.82 1raf s PHE 125 Cb -0.08 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.56 1raf s PHE 125 CO -0.16 0.05 0.12 0.00 0.70 0.00 0.00 175.22 175.93 1raf s ALA 126 N -0.79 3.72 -0.15 5.36 0.00 -0.06 -1.27 121.76 128.58 1raf s ALA 126 Ca 0.04 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1raf s ALA 126 Cb -0.08 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 1raf s ALA 126 CO 0.01 0.41 0.19 0.08 0.00 0.00 0.00 175.76 176.45 1raf s VAL 127 N -0.37 5.39 -0.16 0.00 1.01 -1.10 -0.40 120.40 124.77 1raf s VAL 127 Ca 0.11 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1raf s VAL 127 Cb -0.12 -3.50 0.08 0.00 0.00 0.00 0.00 36.38 32.85 1raf s VAL 127 CO 0.01 0.51 0.25 -0.60 0.00 0.00 0.00 175.10 175.27 1raf s ARG 128 N -0.24 0.17 -1.01 2.72 3.52 -0.02 -4.94 118.95 119.15 1raf s ARG 128 Ca 0.13 0.51 -0.23 0.00 -0.13 0.00 0.00 55.73 56.02 1raf s ARG 128 Cb -0.12 -0.53 -0.02 0.00 -1.56 0.00 0.00 34.95 32.72 1raf s ARG 128 CO 0.03 -0.45 1.79 0.21 -0.81 0.00 0.00 175.30 176.06 1raf s LYS 129 N 2.39 2.94 -0.88 5.12 2.47 -1.26 0.13 119.74 130.65 1raf s LYS 129 Ca 0.04 -0.79 -0.20 0.00 -1.56 0.00 0.00 55.97 53.47 1raf s LYS 129 Cb -0.14 -5.21 0.11 0.00 -1.46 0.00 0.00 37.83 31.14 1raf s LYS 129 CO -0.10 -3.07 1.11 0.50 0.16 0.00 0.00 175.35 173.95 1raf s ARG 130 N 6.15 3.50 -0.20 4.03 6.06 0.31 -4.81 118.95 133.99 1raf s ARG 130 Ca 0.62 -1.55 -0.06 0.00 -2.50 0.00 0.00 55.73 52.24 1raf s ARG 130 Cb -0.03 -4.81 -0.04 0.00 0.06 0.00 0.00 34.95 30.12 1raf s ARG 130 CO -0.00 -1.80 0.54 0.00 -2.50 0.00 0.00 175.30 171.53 1raf n ALA 131 N 6.89 0.06 0.00 6.12 0.00 -1.26 0.81 120.51 133.13 1raf n ALA 131 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1raf n ALA 131 Cb 0.48 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1raf n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1raf n ASN 132 N 2.10 0.00 -2.66 0.00 5.15 -1.26 -5.08 115.26 113.51 1raf n ASN 132 Ca 0.13 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.05 1raf n ASN 132 Cb 0.01 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1raf n ASN 132 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1raf n ASP 133 N 0.00 1.55 -4.04 1.20 5.75 0.24 -5.12 116.55 116.14 1raf n ASP 133 Ca 0.00 -1.46 -0.31 0.00 -0.01 0.00 0.00 54.79 53.01 1raf n ASP 133 Cb 0.00 0.01 -0.16 0.00 -1.03 0.00 0.00 41.12 39.93 1raf n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1raf s ILE 134 N -0.76 1.72 0.09 2.12 1.01 -1.26 0.11 121.20 124.24 1raf s ILE 134 Ca 0.06 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 1raf s ILE 134 Cb -0.00 -1.67 -0.06 0.00 0.01 0.00 0.00 42.46 40.74 1raf s ILE 134 CO 0.04 0.36 0.41 0.00 0.00 0.00 0.00 174.94 175.75 1raf s ALA 135 N 1.40 3.72 -0.15 9.38 0.00 0.12 0.11 121.76 136.34 1raf s ALA 135 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1raf s ALA 135 Cb -0.14 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.73 1raf s ALA 135 CO -0.10 0.57 -0.13 -0.51 0.00 0.00 0.00 175.76 175.58 1raf s LEU 136 N -2.01 1.70 -0.23 0.00 1.43 -0.37 -0.84 118.68 118.36 1raf s LEU 136 Ca 0.34 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1raf s LEU 136 Cb -0.14 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 1raf s LEU 136 CO 0.19 -0.07 0.16 -0.75 0.23 0.00 0.00 176.35 176.11 1raf s LYS 137 N 1.49 4.10 0.20 1.70 2.20 0.47 -0.81 119.74 129.10 1raf s LYS 137 Ca 0.04 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.11 1raf s LYS 137 Cb -0.13 -3.51 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 1raf s LYS 137 CO -0.10 0.12 1.21 0.00 -0.36 0.00 0.00 175.35 176.21 1raf h LYS 139 N 5.06 0.77 0.00 0.00 3.64 -1.51 -1.87 116.57 122.67 1raf h LYS 139 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1raf h LYS 139 Cb 1.21 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1raf h LYS 139 CO 0.74 0.51 -0.33 0.66 -2.27 0.00 0.00 179.45 178.76 1raf n TYR 140 N -4.48 0.47 0.24 1.91 4.01 -1.26 -4.49 117.16 113.57 1raf n TYR 140 Ca 0.11 0.20 0.14 0.00 -0.16 0.00 0.00 57.90 58.19 1raf n TYR 140 Cb 0.21 -0.52 0.33 0.00 -0.31 0.00 0.00 39.34 39.05 1raf n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1raf n GLU 142 N -3.08 -0.77 -3.29 0.00 1.02 -0.70 -4.99 120.64 108.83 1raf n GLU 142 Ca 0.03 0.87 -0.39 0.00 -0.02 0.00 0.00 57.16 57.65 1raf n GLU 142 Cb 0.46 -4.83 -0.06 0.00 -0.02 0.00 0.00 31.44 26.99 1raf n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1raf s LYS 143 N -2.88 4.18 -0.25 3.49 3.01 -1.26 -4.76 119.74 121.28 1raf s LYS 143 Ca 0.00 0.71 -0.09 0.00 -1.01 0.00 0.00 55.97 55.58 1raf s LYS 143 Cb 0.00 -3.24 -0.04 0.00 -1.01 0.00 0.00 37.83 33.54 1raf s LYS 143 CO 0.00 0.64 0.13 -2.00 0.51 0.00 0.00 175.35 174.62 1raf s GLU 144 N -1.08 3.88 0.17 1.68 2.12 -1.26 -1.49 118.70 122.73 1raf s GLU 144 Ca 0.29 -0.37 0.07 0.00 0.36 0.00 0.00 54.97 55.32 1raf s GLU 144 Cb -0.19 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1raf s GLU 144 CO 0.18 -0.06 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.64 1raf s PHE 145 N 1.36 1.57 0.41 5.30 0.40 0.01 -4.91 117.98 122.12 1raf s PHE 145 Ca 0.06 -0.59 -0.25 0.00 -0.60 0.00 0.00 56.93 55.55 1raf s PHE 145 Cb -0.15 -0.77 -0.08 0.00 0.51 0.00 0.00 43.02 42.53 1raf s PHE 145 CO 0.06 0.26 1.22 0.45 0.70 0.00 0.00 175.22 177.90 1raf s SER 146 N -3.01 6.38 0.43 1.36 0.15 -1.26 -1.24 113.70 116.51 1raf s SER 146 Ca 0.18 2.45 0.30 0.00 0.70 0.00 0.00 55.95 59.57 1raf s SER 146 Cb -0.02 -2.62 1.52 0.00 -1.71 0.00 0.00 66.02 63.19 1raf s SER 146 CO 0.05 -0.78 1.90 1.12 1.20 0.00 0.00 173.24 176.73 1raf h HIS 147 N 2.56 0.00 0.00 3.44 2.07 -0.68 0.11 115.15 122.66 1raf h HIS 147 Ca -0.49 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 56.85 1raf h HIS 147 Cb 1.24 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.20 1raf h HIS 147 CO 0.54 0.00 -0.86 -0.91 -3.07 0.00 0.00 177.93 173.63 1raf h ASN 148 N 0.00 0.02 -0.18 3.10 2.35 -1.89 0.10 115.58 119.08 1raf h ASN 148 Ca 0.00 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 1raf h ASN 148 Cb 0.11 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1raf h ASN 148 CO 0.00 0.86 -0.25 0.58 -1.65 0.00 0.00 177.43 176.97 1raf h VAL 149 N 0.01 1.27 0.09 2.81 2.07 -1.12 -2.58 116.25 118.79 1raf h VAL 149 Ca -0.01 -1.34 -0.21 0.00 0.82 0.00 0.00 66.70 65.96 1raf h VAL 149 Cb 1.51 1.30 0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1raf h VAL 149 CO 0.11 0.44 -0.89 0.58 0.02 0.00 0.00 177.57 177.83 1raf h VAL 150 N 0.56 1.41 0.00 2.57 2.07 -1.28 -0.81 116.25 120.77 1raf h VAL 150 Ca 0.08 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1raf h VAL 150 Cb 0.73 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1raf h VAL 150 CO 0.06 0.69 0.00 0.18 0.02 0.00 0.00 177.57 178.52 1raf n LEU 151 N -4.05 0.22 0.00 2.57 4.77 -0.02 -3.14 117.00 117.35 1raf n LEU 151 Ca -0.13 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1raf n LEU 151 Cb 0.83 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1raf n LEU 151 CO 0.51 -0.31 0.00 0.00 -1.33 0.00 0.00 177.39 176.26 1raf n ALA 152 N -1.59 0.00 0.00 -1.18 0.00 -0.97 -5.05 120.51 111.72 1raf n ALA 152 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1raf n ALA 152 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1raf n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79