#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1raf n THR 2 N 0.00 0.00 0.00 3.17 -1.04 -1.26 -5.04 114.28 110.11 1raf n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1raf n THR 2 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1raf n THR 2 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1raf n HIS 3 N 0.00 0.00 0.00 -1.42 8.25 -1.26 -4.34 115.22 116.45 1raf n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1raf n HIS 3 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1raf n HIS 3 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1raf n ASP 4 N 0.00 0.00 0.00 0.41 9.92 -1.26 -4.56 116.55 121.06 1raf n ASP 4 Ca 0.00 0.95 0.00 0.00 -0.53 0.00 0.00 54.79 55.21 1raf n ASP 4 Cb 0.00 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 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 -2.74 0.00 0.00 -2.24 0.23 -1.26 -0.68 115.26 108.57 1raf n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1raf n ASN 5 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1raf n ASN 5 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1raf n LYS 6 N 1.15 0.39 0.19 -3.83 2.85 -1.26 -4.59 118.16 113.05 1raf n LYS 6 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1raf n LYS 6 Cb 0.00 -0.03 0.37 0.00 -0.65 0.00 0.00 35.03 34.72 1raf n LYS 6 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 177.40 178.72 1raf h LEU 7 N 0.00 0.00 -5.01 -5.58 -0.00 -2.02 -3.29 115.31 99.41 1raf h LEU 7 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.66 1raf h LEU 7 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 40.52 1raf h LEU 7 CO 0.00 0.38 -0.50 0.00 -0.00 0.00 0.00 178.44 178.32 1raf n GLN 8 N -3.86 0.79 -1.63 0.17 -0.00 -1.26 -4.23 117.38 107.36 1raf n GLN 8 Ca -0.01 -1.76 -0.48 0.00 -0.00 0.00 0.00 57.00 54.75 1raf n GLN 8 Cb 0.44 -1.45 -0.04 0.00 -0.00 0.00 0.00 30.24 29.19 1raf n GLN 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1raf n VAL 9 N 1.60 0.49 -2.48 -0.39 0.31 -1.24 -4.83 118.33 111.79 1raf n VAL 9 Ca 0.09 -0.12 -0.23 0.00 -0.01 0.00 0.00 64.34 64.06 1raf n VAL 9 Cb 0.63 -1.16 0.05 0.00 -0.91 0.00 0.00 33.84 32.44 1raf n VAL 9 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1raf s GLU 10 N 0.11 2.49 0.00 5.55 2.02 0.15 -4.99 118.70 124.03 1raf s GLU 10 Ca 0.76 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1raf s GLU 10 Cb -0.78 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1raf s GLU 10 CO 0.47 -0.87 0.00 0.00 0.02 0.00 0.00 175.26 174.88 1raf n ALA 11 N -2.56 -0.34 -2.46 5.21 0.00 -1.26 -4.72 120.51 114.38 1raf n ALA 11 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1raf n ALA 11 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 1raf n ALA 11 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1raf s ILE 12 N 0.00 4.98 -0.44 0.00 -4.36 -1.26 -4.04 121.20 116.08 1raf s ILE 12 Ca 0.00 0.24 -0.18 0.00 -0.26 0.00 0.00 60.65 60.45 1raf s ILE 12 Cb 0.00 -3.69 0.03 0.00 1.25 0.00 0.00 42.46 40.05 1raf s ILE 12 CO 0.00 -0.25 0.50 -0.75 0.24 0.00 0.00 174.94 174.68 1raf s LYS 13 N -3.31 3.13 0.21 0.37 2.20 -1.26 -4.44 119.74 116.63 1raf s LYS 13 Ca 0.46 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1raf s LYS 13 Cb -0.11 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.23 1raf s LYS 13 CO 0.27 -0.93 0.00 -2.13 -0.36 0.00 0.00 175.35 172.20 1raf n ARG 14 N 5.77 -2.99 -2.79 4.03 0.00 -1.26 -4.51 116.66 114.91 1raf n ARG 14 Ca -0.06 2.15 0.00 0.00 -0.00 0.00 0.00 57.85 59.94 1raf n ARG 14 Cb 0.47 -2.59 0.00 0.00 0.00 0.00 0.00 32.46 30.34 1raf n ARG 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1raf n GLY 15 N 0.67 -0.52 3.64 5.14 0.00 -0.86 -0.80 105.19 112.46 1raf n GLY 15 Ca 0.00 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.77 3.74 -0.18 2.61 2.01 0.61 -1.90 115.64 119.76 1raf s THR 16 Ca 0.00 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 1raf s THR 16 Cb 0.00 -2.74 0.05 0.00 0.01 0.00 0.00 72.50 69.82 1raf s THR 16 CO 0.00 0.17 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.40 1raf s VAL 17 N -1.22 0.88 -0.32 3.82 1.01 -0.19 -0.66 120.40 123.71 1raf s VAL 17 Ca 0.23 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 1raf s VAL 17 Cb -0.11 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1raf s VAL 17 CO 0.15 -0.04 0.30 -0.63 0.00 0.00 0.00 175.10 174.88 1raf s ILE 18 N 1.71 5.22 0.31 2.22 1.01 -0.66 -0.65 121.20 130.37 1raf s ILE 18 Ca -0.01 0.06 0.11 0.00 0.00 0.00 0.00 60.65 60.81 1raf s ILE 18 Cb -0.16 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 1raf s ILE 18 CO -0.07 0.01 -0.14 -0.62 0.00 0.00 0.00 174.94 174.12 1raf s ASP 19 N 1.72 3.65 -0.87 3.58 2.15 -0.34 -2.22 116.67 124.35 1raf s ASP 19 Ca 0.10 -1.12 -0.05 0.00 0.43 0.00 0.00 52.55 51.91 1raf s ASP 19 Cb -0.17 -0.32 0.01 0.00 -0.30 0.00 0.00 42.92 42.14 1raf s ASP 19 CO 0.11 -0.09 0.75 1.41 -0.17 0.00 0.00 175.17 177.18 1raf n HIS 20 N -0.71 -1.80 -2.72 -5.34 8.25 -1.23 -1.22 115.22 110.45 1raf n HIS 20 Ca -0.05 0.66 -0.41 0.00 -0.26 0.00 0.00 57.72 57.65 1raf n HIS 20 Cb 0.62 -3.72 -0.04 0.00 1.12 0.00 0.00 29.99 27.96 1raf n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1raf s ILE 21 N -3.21 4.57 0.03 1.59 1.01 -1.12 -3.23 121.20 120.84 1raf s ILE 21 Ca 0.31 2.05 -0.07 0.00 0.00 0.00 0.00 60.65 62.93 1raf s ILE 21 Cb -0.13 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 1raf s ILE 21 CO 0.48 0.28 1.12 -0.65 0.00 0.00 0.00 174.94 176.17 1raf h PRO 22 N 5.88 -0.08 0.00 2.79 0.11 -1.88 -0.88 132.00 137.94 1raf h PRO 22 Ca -0.42 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1raf h PRO 22 Cb 1.21 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1raf h PRO 22 CO 0.73 -0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 1raf n ALA 23 N -2.83 0.00 -0.28 -0.75 0.00 -1.26 -4.33 120.51 111.06 1raf n ALA 23 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1raf n ALA 23 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.35 0.00 0.10 0.00 1.13 -1.26 -4.74 117.38 112.25 1raf n GLN 24 Ca 0.00 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.18 1raf n GLN 24 Cb 0.00 -3.79 0.12 0.00 0.11 0.00 0.00 30.24 26.68 1raf n GLN 24 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1raf h ILE 25 N 0.00 0.00 0.56 5.09 5.03 -1.92 -3.37 117.51 122.90 1raf h ILE 25 Ca 0.00 -0.73 -0.03 0.00 -0.12 0.00 0.00 64.86 63.98 1raf h ILE 25 Cb 0.00 1.35 0.01 0.00 -3.03 0.00 0.00 36.82 35.15 1raf h ILE 25 CO 0.00 0.00 -0.27 1.23 -0.68 0.00 0.00 178.15 178.43 1raf h GLY 26 N 4.27 -0.78 1.05 5.37 0.00 -1.92 0.92 103.07 111.99 1raf h GLY 26 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.63 1raf h GLY 26 CO 0.00 -0.28 0.63 -2.75 0.00 0.00 0.00 176.54 174.14 1raf h PHE 27 N -0.77 1.20 -0.53 5.60 3.57 -1.98 -0.77 116.94 123.25 1raf h PHE 27 Ca -0.08 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.56 1raf h PHE 27 Cb 0.58 -0.40 -0.10 0.00 2.79 0.00 0.00 35.95 38.82 1raf h PHE 27 CO -0.03 0.75 -0.13 -0.22 -2.23 0.00 0.00 178.31 176.45 1raf h LYS 28 N 1.29 0.00 -0.60 1.11 1.63 -1.56 -0.04 116.57 118.39 1raf h LYS 28 Ca 0.35 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.10 1raf h LYS 28 Cb -0.14 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 1raf h LYS 28 CO -0.08 0.00 0.18 -0.07 -3.45 0.00 0.00 179.45 176.04 1raf h LEU 29 N 0.00 0.85 -0.55 5.20 3.38 -0.10 0.85 115.31 124.95 1raf h LEU 29 Ca 0.26 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1raf h LEU 29 Cb 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1raf h LEU 29 CO -0.54 0.81 -0.35 -0.07 0.09 0.00 0.00 178.44 178.37 1raf h LEU 30 N 0.89 0.83 0.04 1.67 -0.00 -0.13 -2.49 115.31 116.12 1raf h LEU 30 Ca 0.20 -0.36 -0.00 0.00 -0.00 0.00 0.00 57.88 57.72 1raf h LEU 30 Cb 0.27 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1raf h LEU 30 CO -0.01 1.10 -0.02 0.28 -0.00 0.00 0.00 178.44 179.79 1raf h SER 31 N 0.65 -0.05 -0.99 -0.43 0.02 -0.36 -2.96 113.55 109.43 1raf h SER 31 Ca 0.06 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.20 1raf h SER 31 Cb 0.90 0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.35 1raf h SER 31 CO 0.08 -0.03 0.60 -0.07 -1.14 0.00 0.00 176.83 176.27 1raf h LEU 32 N -0.07 0.77 -3.46 5.07 4.07 -0.93 -1.86 115.31 118.90 1raf h LEU 32 Ca -0.01 0.10 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1raf h LEU 32 Cb 0.04 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1raf h LEU 32 CO 0.01 0.27 0.02 0.49 -1.08 0.00 0.00 178.44 178.15 1raf n PHE 33 N -4.78 1.64 -4.18 1.13 3.72 -0.94 -4.95 117.46 109.11 1raf n PHE 33 Ca 0.23 -0.85 -0.34 0.00 -0.05 0.00 0.00 57.45 56.44 1raf n PHE 33 Cb 0.56 -0.45 -0.08 0.00 -0.94 0.00 0.00 39.48 38.57 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 0.06 -0.82 0.18 -1.08 4.76 -0.70 -4.80 118.16 115.77 1raf n LYS 34 Ca 0.26 0.11 0.13 0.00 -2.87 0.00 0.00 58.31 55.94 1raf n LYS 34 Cb 1.09 -3.83 0.65 0.00 -1.84 0.00 0.00 35.03 31.10 1raf n LYS 34 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1raf h LEU 35 N -1.03 0.00 -0.17 -0.35 3.38 -1.78 -3.02 115.31 112.34 1raf h LEU 35 Ca -0.55 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1raf h LEU 35 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1raf h LEU 35 CO 0.74 0.00 -0.19 0.71 0.09 0.00 0.00 178.44 179.78 1raf h THR 36 N 0.00 0.35 -0.74 0.22 1.35 -1.87 -3.39 112.91 108.83 1raf h THR 36 Ca 0.00 -1.41 -0.66 0.00 -0.55 0.00 0.00 66.41 63.79 1raf h THR 36 Cb 0.13 2.10 -0.08 0.00 -1.73 0.00 0.00 68.15 68.57 1raf h THR 36 CO 0.00 0.19 2.42 -0.62 -0.25 0.00 0.00 175.52 177.26 1raf n GLU 37 N -3.17 3.94 -4.26 4.72 1.02 -1.14 -4.81 120.64 116.94 1raf n GLU 37 Ca 0.03 -2.82 -0.15 0.00 -0.02 0.00 0.00 57.16 54.20 1raf n GLU 37 Cb 0.58 -2.58 -0.10 0.00 -0.02 0.00 0.00 31.44 29.32 1raf n GLU 37 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1raf s THR 38 N -0.21 1.24 -0.61 2.62 -4.23 -1.26 -4.99 115.64 108.19 1raf s THR 38 Ca 0.60 -2.07 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 1raf s THR 38 Cb 0.21 -1.86 0.56 0.00 1.34 0.00 0.00 72.50 72.76 1raf s THR 38 CO -0.09 -0.72 1.37 0.47 -0.54 0.00 0.00 174.62 175.11 1raf n ASP 39 N -0.20 4.18 -4.91 3.99 8.00 -1.26 -4.95 116.55 121.40 1raf n ASP 39 Ca -0.10 -2.59 -0.28 0.00 0.71 0.00 0.00 54.79 52.53 1raf n ASP 39 Cb 0.60 -0.61 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 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 -2.15 2.95 -0.21 -1.24 -1.52 -1.26 -4.99 119.66 111.24 1raf s GLN 40 Ca 0.38 0.16 -0.29 0.00 -1.95 0.00 0.00 55.36 53.66 1raf s GLN 40 Cb 0.28 -2.20 0.01 0.00 -0.22 0.00 0.00 33.01 30.88 1raf s GLN 40 CO 0.12 -0.77 1.06 1.03 -0.25 0.00 0.00 175.29 176.48 1raf s ARG 41 N -5.09 4.27 -0.11 2.91 0.52 -1.26 -4.95 118.95 115.23 1raf s ARG 41 Ca 0.55 1.39 -0.03 0.00 -0.52 0.00 0.00 55.73 57.12 1raf s ARG 41 Cb -0.11 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 1raf s ARG 41 CO 0.47 -0.61 -0.00 0.42 0.02 0.00 0.00 175.30 175.60 1raf s ILE 42 N 3.14 4.26 -0.02 1.52 1.01 -1.26 -2.51 121.20 127.34 1raf s ILE 42 Ca 0.45 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.93 1raf s ILE 42 Cb -0.16 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 1raf s ILE 42 CO 0.08 0.56 -0.26 -0.89 0.00 0.00 0.00 174.94 174.43 1raf s THR 43 N -0.47 2.04 -0.03 2.92 2.01 -0.21 -4.98 115.64 116.93 1raf s THR 43 Ca 0.08 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.99 1raf s THR 43 Cb -0.12 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.71 1raf s THR 43 CO 0.02 0.58 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.85 1raf s ILE 44 N -0.56 0.46 -0.11 1.82 1.01 -1.26 0.04 121.20 122.60 1raf s ILE 44 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 1raf s ILE 44 Cb -0.10 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.87 1raf s ILE 44 CO -0.00 0.18 0.02 -0.83 0.00 0.00 0.00 174.94 174.30 1raf s GLY 45 N 0.57 1.87 0.04 6.18 0.00 -0.06 -5.00 107.32 110.92 1raf s GLY 45 Ca -0.07 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 43.92 1raf s GLY 45 CO -0.00 -0.42 -0.16 1.08 0.00 0.00 0.00 173.10 173.60 1raf s LEU 46 N -0.61 2.17 -0.84 0.66 1.02 -1.26 -2.18 118.68 117.64 1raf s LEU 46 Ca 0.10 -0.48 -0.02 0.00 0.02 0.00 0.00 54.13 53.75 1raf s LEU 46 Cb -0.12 -0.68 0.00 0.00 0.02 0.00 0.00 46.19 45.41 1raf s LEU 46 CO 0.02 0.06 0.59 0.59 0.02 0.00 0.00 176.35 177.64 1raf n ASN 47 N 1.87 -4.65 -4.97 2.29 3.02 -1.21 -4.99 115.26 106.62 1raf n ASN 47 Ca -0.18 -0.99 -0.22 0.00 -0.03 0.00 0.00 54.58 53.16 1raf n ASN 47 Cb 0.54 -1.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.14 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 -5.10 4.13 -0.50 3.41 1.43 -0.04 -4.87 118.68 117.14 1raf s LEU 48 Ca 0.03 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1raf s LEU 48 Cb -0.02 -2.98 0.39 0.00 0.03 0.00 0.00 46.19 43.61 1raf s LEU 48 CO 0.89 -0.24 1.98 -0.81 0.23 0.00 0.00 176.35 178.40 1raf n PRO 49 N -1.60 2.28 0.00 1.29 -0.04 -1.26 -2.04 135.00 133.63 1raf n PRO 49 Ca -0.06 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 1raf n PRO 49 Cb 0.57 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1raf n PRO 49 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1raf n SER 50 N -0.49 0.00 -0.49 3.54 3.41 0.13 -4.91 113.62 114.81 1raf n SER 50 Ca 0.50 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 59.06 1raf n SER 50 Cb 0.77 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 1raf n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1raf n GLY 51 N -0.26 -0.05 3.36 5.00 0.00 -1.26 -2.65 105.19 109.34 1raf n GLY 51 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1raf n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1raf n GLU 52 N 0.92 0.10 0.00 1.61 -0.58 -1.26 -3.56 120.64 117.87 1raf n GLU 52 Ca 0.07 -0.87 0.00 0.00 -0.42 0.00 0.00 57.16 55.94 1raf n GLU 52 Cb 0.00 -2.63 0.00 0.00 -0.57 0.00 0.00 31.44 28.24 1raf n GLU 52 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1raf n MET 53 N 6.70 0.63 0.00 3.49 2.81 -1.26 -5.09 117.12 124.40 1raf n MET 53 Ca 0.29 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1raf n MET 53 Cb 0.45 -0.05 0.00 0.00 -0.71 0.00 0.00 33.22 32.91 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 0.00 1.58 3.91 3.03 0.00 -1.08 -4.86 105.19 107.77 1raf n GLY 54 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 3.58 0.35 1.61 0.52 -1.26 0.21 118.95 123.96 1raf s ARG 55 Ca 0.00 -0.19 -0.03 0.00 -0.52 0.00 0.00 55.73 55.00 1raf s ARG 55 Cb 0.00 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.66 1raf s ARG 55 CO 0.00 0.41 0.49 -1.59 0.02 0.00 0.00 175.30 174.63 1raf s LYS 56 N -3.05 1.94 0.29 3.54 -2.85 -0.87 -4.81 119.74 113.94 1raf s LYS 56 Ca 0.40 -1.76 0.04 0.00 -1.00 0.00 0.00 55.97 53.65 1raf s LYS 56 Cb -0.11 0.45 -0.06 0.00 -2.06 0.00 0.00 37.83 36.05 1raf s LYS 56 CO 0.27 -0.81 0.04 -0.51 0.10 0.00 0.00 175.35 174.44 1raf s ASP 57 N -3.24 2.09 -0.27 0.03 1.01 -0.34 -0.86 116.67 115.10 1raf s ASP 57 Ca 0.30 -1.33 -0.23 0.00 0.71 0.00 0.00 52.55 52.00 1raf s ASP 57 Cb -0.01 -0.03 0.07 0.00 1.01 0.00 0.00 42.92 43.97 1raf s ASP 57 CO 0.20 -0.59 0.71 -0.22 0.21 0.00 0.00 175.17 175.49 1raf s LEU 58 N -3.42 -0.80 -0.01 1.23 0.20 -0.93 -2.77 118.68 112.18 1raf s LEU 58 Ca 0.35 1.47 0.05 0.00 0.69 0.00 0.00 54.13 56.68 1raf s LEU 58 Cb 0.08 2.45 -0.01 0.00 -0.43 0.00 0.00 46.19 48.27 1raf s LEU 58 CO 0.14 -0.25 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.16 1raf s ILE 59 N 0.72 1.26 -0.13 6.68 1.01 -0.94 -0.88 121.20 128.91 1raf s ILE 59 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1raf s ILE 59 Cb -0.05 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1raf s ILE 59 CO -0.05 0.34 -0.11 -0.54 0.00 0.00 0.00 174.94 174.58 1raf s LYS 60 N -0.41 1.96 -0.35 2.79 1.02 0.11 -1.66 119.74 123.20 1raf s LYS 60 Ca 0.06 -0.43 0.03 0.00 0.02 0.00 0.00 55.97 55.66 1raf s LYS 60 Cb -0.06 -1.87 0.10 0.00 -0.52 0.00 0.00 37.83 35.48 1raf s LYS 60 CO -0.01 -0.24 0.08 0.42 -0.92 0.00 0.00 175.35 174.68 1raf s ILE 61 N 1.57 2.12 0.44 2.17 1.01 0.16 -1.04 121.20 127.63 1raf s ILE 61 Ca 0.05 -2.33 -0.23 0.00 0.00 0.00 0.00 60.65 58.14 1raf s ILE 61 Cb -0.13 -2.56 -0.08 0.00 0.01 0.00 0.00 42.46 39.70 1raf s ILE 61 CO -0.09 -0.63 1.15 -1.61 0.00 0.00 0.00 174.94 173.76 1raf s GLU 62 N 0.87 3.87 0.00 2.79 2.02 -1.04 -0.29 118.70 126.92 1raf s GLU 62 Ca 0.11 1.76 0.00 0.00 0.02 0.00 0.00 54.97 56.86 1raf s GLU 62 Cb -0.19 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1raf s GLU 62 CO -0.09 -0.46 0.00 0.09 0.02 0.00 0.00 175.26 174.82 1raf n ASN 63 N -0.32 0.00 -4.65 -0.19 5.03 0.02 -4.58 115.26 110.57 1raf n ASN 63 Ca 0.06 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.17 1raf n ASN 63 Cb 0.48 -1.51 -0.10 0.00 -1.02 0.00 0.00 39.78 37.63 1raf n ASN 63 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1raf s THR 64 N -2.03 4.47 -0.23 3.41 2.01 -1.24 -4.94 115.64 117.10 1raf s THR 64 Ca 0.00 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1raf s THR 64 Cb 0.00 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 69.61 1raf s THR 64 CO 0.00 0.54 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.97 1raf s PHE 65 N -0.29 3.02 -0.13 4.92 0.08 -1.26 -2.87 117.98 121.45 1raf s PHE 65 Ca 0.07 -2.02 -0.04 0.00 0.12 0.00 0.00 56.93 55.06 1raf s PHE 65 Cb -0.12 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 1raf s PHE 65 CO 0.02 -0.84 0.01 -0.48 -0.10 0.00 0.00 175.22 173.83 1raf s LEU 66 N 1.19 3.59 0.15 -0.37 0.05 -1.26 -5.09 118.68 116.94 1raf s LEU 66 Ca -0.03 0.08 -0.17 0.00 0.05 0.00 0.00 54.13 54.06 1raf s LEU 66 Cb -0.17 -1.86 0.04 0.00 -2.05 0.00 0.00 46.19 42.15 1raf s LEU 66 CO -0.08 0.28 0.45 -0.44 -0.55 0.00 0.00 176.35 176.00 1raf s SER 67 N -0.27 -0.27 0.00 1.48 0.01 -1.26 -4.74 113.70 108.65 1raf s SER 67 Ca 0.06 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1raf s SER 67 Cb -0.12 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1raf s SER 67 CO 0.02 -0.92 0.00 -0.62 0.41 0.00 0.00 173.24 172.13 1raf n GLU 68 N -0.27 0.00 -0.03 12.44 1.02 -1.26 -2.13 120.64 130.41 1raf n GLU 68 Ca -0.14 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.83 1raf n GLU 68 Cb 0.64 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.98 1raf n GLU 68 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1raf h ASP 69 N 0.00 0.87 -0.35 1.62 3.32 -1.99 -2.48 116.42 117.41 1raf h ASP 69 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 57.03 56.46 1raf h ASP 69 Cb 0.00 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1raf h ASP 69 CO 0.00 1.35 0.15 1.56 -1.72 0.00 0.00 179.24 180.58 1raf h GLN 70 N 0.44 0.31 -0.82 3.56 4.20 -1.79 -1.20 115.11 119.81 1raf h GLN 70 Ca -0.04 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.71 1raf h GLN 70 Cb 1.32 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.98 1raf h GLN 70 CO 0.14 0.21 0.53 0.28 -0.67 0.00 0.00 178.83 179.32 1raf h VAL 71 N 0.32 1.06 0.00 -0.54 2.07 -1.76 -1.51 116.25 115.89 1raf h VAL 71 Ca 0.15 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1raf h VAL 71 Cb 0.09 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1raf h VAL 71 CO -0.13 0.17 -0.16 0.44 0.02 0.00 0.00 177.57 177.91 1raf h ASP 72 N 0.92 0.00 0.34 0.57 3.32 -0.77 -2.93 116.42 117.88 1raf h ASP 72 Ca 0.35 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.35 1raf h ASP 72 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1raf h ASP 72 CO -0.12 0.16 -0.23 1.56 -1.72 0.00 0.00 179.24 178.89 1raf h GLN 73 N 0.00 0.00 0.00 3.56 1.08 -0.36 -2.09 115.11 117.30 1raf h GLN 73 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1raf h GLN 73 Cb 0.96 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1raf h GLN 73 CO 0.02 0.23 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.03 1raf h LEU 74 N 0.00 0.00 -1.59 1.46 3.38 -1.40 -3.33 115.31 113.83 1raf h LEU 74 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1raf h LEU 74 Cb 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1raf h LEU 74 CO 0.03 0.03 0.48 0.00 0.09 0.00 0.00 178.44 179.07 1raf h ALA 75 N 1.97 2.08 0.00 1.53 0.00 -1.49 0.11 119.26 123.45 1raf h ALA 75 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1raf h ALA 75 Cb 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1raf h ALA 75 CO 0.00 -0.26 -0.09 -0.07 0.00 0.00 0.00 179.25 178.83 1raf h LEU 76 N 0.42 0.00 0.00 0.00 3.38 -1.81 -3.29 115.31 114.01 1raf h LEU 76 Ca 0.34 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.08 1raf h LEU 76 Cb 0.75 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1raf h LEU 76 CO -0.11 0.09 -1.89 -1.22 0.09 0.00 0.00 178.44 175.41 1raf n TYR 77 N -3.16 0.00 -3.09 1.13 4.01 -0.95 -4.86 117.16 110.24 1raf n TYR 77 Ca 0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.56 1raf n TYR 77 Cb 0.45 -0.63 -0.04 0.00 -0.31 0.00 0.00 39.34 38.81 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 -2.58 1.45 1.06 -0.72 0.00 0.32 -4.80 120.51 115.25 1raf n ALA 78 Ca -0.22 -2.85 0.14 0.00 0.00 0.00 0.00 53.44 50.50 1raf n ALA 78 Cb 0.89 -0.95 0.53 0.00 0.00 0.00 0.00 19.45 19.92 1raf n ALA 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1raf n PRO 79 N 1.61 0.09 0.00 0.00 -0.04 -1.24 -3.15 135.00 132.27 1raf n PRO 79 Ca 0.19 -0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1raf n PRO 79 Cb 0.55 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.56 1raf n PRO 79 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1raf n GLN 80 N -1.44 0.08 -1.17 0.54 -0.06 -1.26 -4.61 117.38 109.46 1raf n GLN 80 Ca 0.08 -0.06 -0.31 0.00 -2.00 0.00 0.00 57.00 54.71 1raf n GLN 80 Cb 0.33 -1.50 0.11 0.00 -4.06 0.00 0.00 30.24 25.12 1raf n GLN 80 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1raf s ALA 81 N -2.96 2.06 -0.03 1.69 0.00 -1.19 -4.88 121.76 116.46 1raf s ALA 81 Ca 0.10 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.40 1raf s ALA 81 Cb 0.17 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1raf s ALA 81 CO 0.78 -1.98 -0.22 0.99 0.00 0.00 0.00 175.76 175.33 1raf s THR 82 N -2.87 1.79 -0.28 0.00 2.01 -0.36 -4.24 115.64 111.70 1raf s THR 82 Ca 0.62 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 1raf s THR 82 Cb -0.18 -1.50 0.04 0.00 0.01 0.00 0.00 72.50 70.87 1raf s THR 82 CO 0.56 0.51 -0.02 -0.69 -0.69 0.00 0.00 174.62 174.29 1raf s VAL 83 N -0.42 3.01 -0.11 3.82 1.01 0.83 -1.20 120.40 127.34 1raf s VAL 83 Ca 0.06 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 1raf s VAL 83 Cb -0.10 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1raf s VAL 83 CO 0.00 0.03 0.19 0.20 0.00 0.00 0.00 175.10 175.53 1raf s ASN 84 N 1.30 6.45 -0.06 3.32 0.01 0.18 -1.68 114.94 124.46 1raf s ASN 84 Ca -0.03 0.54 0.05 0.00 -0.71 0.00 0.00 52.86 52.72 1raf s ASN 84 Cb -0.18 -2.11 -0.01 0.00 0.41 0.00 0.00 41.25 39.35 1raf s ASN 84 CO -0.02 0.36 -0.23 -0.60 -1.51 0.00 0.00 177.10 175.10 1raf s ARG 85 N -0.84 2.58 -0.00 -0.60 3.52 0.18 -1.03 118.95 122.76 1raf s ARG 85 Ca 0.16 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.92 1raf s ARG 85 Cb -0.13 -2.22 -0.01 0.00 -1.56 0.00 0.00 34.95 31.04 1raf s ARG 85 CO 0.05 0.41 -0.09 0.42 -0.81 0.00 0.00 175.30 175.29 1raf s ILE 86 N -0.23 0.69 -0.08 4.11 1.09 -0.80 -1.36 121.20 124.62 1raf s ILE 86 Ca -0.01 -0.41 -0.07 0.00 -1.10 0.00 0.00 60.65 59.06 1raf s ILE 86 Cb -0.13 -0.59 0.03 0.00 -1.06 0.00 0.00 42.46 40.71 1raf s ILE 86 CO 0.03 0.17 0.21 -0.62 -0.10 0.00 0.00 174.94 174.63 1raf s ASP 87 N -0.28 -0.22 -1.33 3.58 -1.08 0.20 -2.02 116.67 115.52 1raf s ASP 87 Ca 0.03 0.44 -0.19 0.00 -0.52 0.00 0.00 52.55 52.31 1raf s ASP 87 Cb -0.04 0.41 0.02 0.00 -1.46 0.00 0.00 42.92 41.85 1raf s ASP 87 CO -0.00 -0.10 0.46 0.59 0.52 0.00 0.00 175.17 176.64 1raf n ASN 88 N 3.30 -2.32 -0.60 -0.34 3.02 -1.26 -0.34 115.26 116.72 1raf n ASN 88 Ca -0.16 -1.23 -0.07 0.00 -0.03 0.00 0.00 54.58 53.09 1raf n ASN 88 Cb 0.57 -2.02 -0.03 0.00 -0.61 0.00 0.00 39.78 37.69 1raf n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1raf n TYR 89 N -4.74 -0.03 -4.79 3.10 4.01 -1.26 -4.97 117.16 108.47 1raf n TYR 89 Ca -0.20 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.28 1raf n TYR 89 Cb 0.62 -2.43 -0.15 0.00 -0.31 0.00 0.00 39.34 37.07 1raf n TYR 89 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1raf s GLU 90 N -2.54 1.49 -0.95 -0.72 0.41 0.54 -5.05 118.70 111.88 1raf s GLU 90 Ca 0.00 -0.84 -0.23 0.00 -0.41 0.00 0.00 54.97 53.50 1raf s GLU 90 Cb 0.00 -1.52 -0.13 0.00 -1.78 0.00 0.00 34.13 30.69 1raf s GLU 90 CO 0.00 0.40 1.92 0.28 -0.49 0.00 0.00 175.26 177.37 1raf n VAL 91 N 2.18 1.81 0.90 2.63 0.31 -1.26 -0.62 118.33 124.27 1raf n VAL 91 Ca -0.16 -1.74 0.07 0.00 -0.01 0.00 0.00 64.34 62.50 1raf n VAL 91 Cb 0.53 -2.24 0.41 0.00 -0.91 0.00 0.00 33.84 31.64 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 6.93 0.00 -3.64 2.52 3.14 -0.46 -4.77 118.33 122.05 1raf n VAL 92 Ca 0.47 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.77 1raf n VAL 92 Cb 0.44 -0.75 -0.07 0.00 -1.06 0.00 0.00 33.84 32.39 1raf n VAL 92 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1raf s GLY 93 N -1.98 -0.16 -0.23 7.55 0.00 -1.06 -4.98 107.32 106.46 1raf s GLY 93 Ca 0.21 2.73 -0.03 0.00 0.00 0.00 0.00 44.72 47.63 1raf s GLY 93 CO 0.16 2.00 0.31 1.25 0.00 0.00 0.00 173.10 176.82 1raf s LYS 94 N 0.51 0.29 0.39 2.90 2.20 -1.26 0.51 119.74 125.28 1raf s LYS 94 Ca 0.00 0.36 0.04 0.00 -0.36 0.00 0.00 55.97 56.01 1raf s LYS 94 Cb -0.05 -0.76 -0.02 0.00 -1.51 0.00 0.00 37.83 35.48 1raf s LYS 94 CO -0.08 -0.68 0.16 -1.54 -0.36 0.00 0.00 175.35 172.85 1raf s SER 95 N 2.45 2.50 0.19 1.43 1.04 -0.68 -4.95 113.70 115.69 1raf s SER 95 Ca 0.10 -1.70 0.04 0.00 0.48 0.00 0.00 55.95 54.88 1raf s SER 95 Cb -0.15 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 1raf s SER 95 CO -0.16 -0.97 -0.06 -0.13 0.98 0.00 0.00 173.24 172.91 1raf s ARG 96 N -3.65 1.21 0.58 4.02 0.52 -1.26 -0.12 118.95 120.25 1raf s ARG 96 Ca 0.28 -1.57 -0.15 0.00 -0.52 0.00 0.00 55.73 53.77 1raf s ARG 96 Cb 0.02 -0.65 -0.05 0.00 0.52 0.00 0.00 34.95 34.79 1raf s ARG 96 CO 0.17 0.00 1.03 -2.14 0.02 0.00 0.00 175.30 174.38 1raf s PRO 97 N -3.80 3.53 0.01 3.54 0.02 -1.26 -4.86 135.00 132.18 1raf s PRO 97 Ca 0.23 1.03 -0.01 0.00 0.02 0.00 0.00 61.00 62.26 1raf s PRO 97 Cb 0.04 -2.07 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 1raf s PRO 97 CO 0.05 -0.62 0.01 0.45 -0.33 0.00 0.00 177.00 176.56 1raf s SER 98 N -3.19 0.13 0.03 2.53 0.15 -1.26 -4.94 113.70 107.15 1raf s SER 98 Ca 0.60 -0.29 -0.34 0.00 0.70 0.00 0.00 55.95 56.62 1raf s SER 98 Cb -0.13 0.10 -0.13 0.00 -1.71 0.00 0.00 66.02 64.15 1raf s SER 98 CO 0.39 -0.22 1.73 0.18 1.20 0.00 0.00 173.24 176.53 1raf n LEU 99 N 2.04 3.23 -4.73 3.45 7.99 -1.26 -4.69 117.00 123.04 1raf n LEU 99 Ca -0.20 1.03 -0.30 0.00 -0.01 0.00 0.00 56.01 56.52 1raf n LEU 99 Cb 0.57 -1.39 0.23 0.00 -0.11 0.00 0.00 43.42 42.71 1raf n LEU 99 CO 0.22 -0.19 0.73 -2.16 -1.51 0.00 0.00 177.39 174.48 1raf s PRO 100 N 2.56 -0.61 -0.02 3.23 0.04 -1.26 -5.00 135.00 133.95 1raf s PRO 100 Ca 0.86 -0.27 0.21 0.00 0.04 0.00 0.00 61.00 61.84 1raf s PRO 100 Cb -0.70 -1.69 -0.27 0.00 0.04 0.00 0.00 34.50 31.89 1raf s PRO 100 CO 0.45 -3.27 0.52 -0.85 0.04 0.00 0.00 177.00 173.90 1raf n GLU 101 N -4.40 0.65 -4.05 4.56 0.28 -1.26 -4.70 120.64 111.73 1raf n GLU 101 Ca 0.15 -0.10 -0.14 0.00 -0.16 0.00 0.00 57.16 56.91 1raf n GLU 101 Cb 0.60 -1.58 -0.13 0.00 1.43 0.00 0.00 31.44 31.75 1raf n GLU 101 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1raf s ARG 102 N -3.31 0.32 -0.30 3.44 3.52 -1.26 -1.50 118.95 119.85 1raf s ARG 102 Ca -0.07 -0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 1raf s ARG 102 Cb 0.12 -0.22 0.09 0.00 -1.56 0.00 0.00 34.95 33.37 1raf s ARG 102 CO 0.88 0.05 0.04 0.42 -0.81 0.00 0.00 175.30 175.88 1raf s ILE 103 N -0.47 1.61 0.42 4.11 1.01 -1.07 -4.96 121.20 121.85 1raf s ILE 103 Ca -0.03 -1.73 -0.03 0.00 0.00 0.00 0.00 60.65 58.85 1raf s ILE 103 Cb -0.04 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1raf s ILE 103 CO -0.00 -0.50 0.69 -1.81 0.00 0.00 0.00 174.94 173.33 1raf s ASP 104 N 1.27 6.29 0.00 3.58 1.11 -1.26 -3.00 116.67 124.67 1raf s ASP 104 Ca 0.06 0.77 0.00 0.00 0.18 0.00 0.00 52.55 53.56 1raf s ASP 104 Cb -0.18 -2.17 0.00 0.00 1.07 0.00 0.00 42.92 41.63 1raf s ASP 104 CO -0.13 -0.46 0.00 0.59 1.18 0.00 0.00 175.17 176.35 1raf n ASN 105 N -1.99 0.00 0.11 0.27 3.02 0.66 -4.64 115.26 112.68 1raf n ASN 105 Ca -0.01 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.63 1raf n ASN 105 Cb 0.55 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.73 1raf n ASN 105 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1raf h VAL 106 N 0.00 0.13 -1.64 2.41 2.07 -1.83 -3.41 116.25 113.98 1raf h VAL 106 Ca 0.00 -1.24 -0.42 0.00 0.82 0.00 0.00 66.70 65.85 1raf h VAL 106 Cb 0.00 1.71 0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1raf h VAL 106 CO 0.00 0.08 -0.22 -0.76 0.02 0.00 0.00 177.57 176.69 1raf s LEU 107 N -5.61 3.58 -0.06 2.57 1.43 -1.26 -5.11 118.68 114.22 1raf s LEU 107 Ca 0.00 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1raf s LEU 107 Cb 0.09 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.62 1raf s LEU 107 CO 0.77 -0.84 -0.10 -0.69 0.23 0.00 0.00 176.35 175.73 1raf s VAL 108 N -2.43 0.94 0.09 -1.59 1.01 -1.26 -4.73 120.40 112.43 1raf s VAL 108 Ca 0.55 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 1raf s VAL 108 Cb -0.10 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 1raf s VAL 108 CO 0.34 0.31 1.68 0.00 0.00 0.00 0.00 175.10 177.43 1raf n PRO 110 N 5.37 0.09 -2.65 0.00 -0.04 -1.26 -4.68 135.00 131.82 1raf n PRO 110 Ca 0.16 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.45 1raf n PRO 110 Cb 0.40 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 1raf n PRO 110 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1raf s ASN 111 N -3.53 6.63 0.39 3.54 2.47 -1.26 -4.91 114.94 118.26 1raf s ASN 111 Ca 0.08 0.44 0.28 0.00 0.42 0.00 0.00 52.86 54.08 1raf s ASN 111 Cb 0.11 -2.53 1.29 0.00 -1.45 0.00 0.00 41.25 38.67 1raf s ASN 111 CO 0.38 -1.18 1.84 0.77 -3.72 0.00 0.00 177.10 175.19 1raf h SER 112 N 9.10 0.00 0.04 -4.21 4.64 -2.03 -1.94 113.55 119.15 1raf h SER 112 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1raf h SER 112 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1raf h SER 112 CO 1.10 0.00 -0.05 -3.20 -0.87 0.00 0.00 176.83 173.80 1raf n ASN 113 N -2.54 1.41 -4.76 4.97 5.15 -1.26 -4.87 115.26 113.36 1raf n ASN 113 Ca 0.00 -1.37 -0.40 0.00 -0.60 0.00 0.00 54.58 52.21 1raf n ASN 113 Cb 0.18 0.03 0.02 0.00 -0.53 0.00 0.00 39.78 39.48 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 2.21 0.00 0.00 0.00 6.09 -1.89 -3.11 117.51 120.81 1raf h ILE 115 Ca -0.51 -0.66 0.00 0.00 -1.37 0.00 0.00 64.86 62.32 1raf h ILE 115 Cb 1.27 1.64 0.00 0.00 0.47 0.00 0.00 36.82 40.20 1raf h ILE 115 CO 0.61 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 174.15 1raf n SER 116 N -2.69 0.63 -0.03 2.19 3.41 -1.26 -2.95 113.62 112.92 1raf n SER 116 Ca 0.04 0.68 -0.13 0.00 -0.26 0.00 0.00 58.87 59.20 1raf n SER 116 Cb 0.43 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.48 1raf n SER 116 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1raf h HIS 117 N 0.00 0.10 -0.21 7.33 3.86 -1.92 -3.30 115.15 121.01 1raf h HIS 117 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1raf h HIS 117 Cb 0.28 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1raf h HIS 117 CO 0.00 0.61 0.00 0.00 0.86 0.00 0.00 177.93 179.40 1raf n ALA 118 N -2.39 2.80 -2.38 2.45 0.00 -1.15 -4.99 120.51 114.85 1raf n ALA 118 Ca -0.08 -0.58 -0.08 0.00 0.00 0.00 0.00 53.44 52.70 1raf n ALA 118 Cb 0.31 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.62 0.61 0.00 0.00 0.41 -1.24 -5.03 118.70 111.83 1raf s GLU 119 Ca 0.18 -1.02 -0.02 0.00 -0.41 0.00 0.00 54.97 53.69 1raf s GLU 119 Cb 0.12 0.22 -0.11 0.00 -1.78 0.00 0.00 34.13 32.59 1raf s GLU 119 CO 0.07 -0.14 1.88 -0.35 -0.49 0.00 0.00 175.26 176.23 1raf n PRO 120 N 0.38 0.92 -4.37 0.39 -0.04 -1.26 -4.73 135.00 126.28 1raf n PRO 120 Ca -0.16 -0.41 -0.26 0.00 -0.04 0.00 0.00 63.50 62.63 1raf n PRO 120 Cb 0.60 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 1raf n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1raf s VAL 121 N 1.78 1.89 0.25 0.52 -7.23 -1.26 -5.14 120.40 111.22 1raf s VAL 121 Ca 0.27 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 58.57 1raf s VAL 121 Cb 0.13 -1.70 -0.09 0.00 0.56 0.00 0.00 36.38 35.28 1raf s VAL 121 CO 0.00 0.03 0.98 -0.44 -0.31 0.00 0.00 175.10 175.36 1raf s SER 122 N -1.87 7.54 0.71 4.85 0.01 -1.26 -5.02 113.70 118.66 1raf s SER 122 Ca 0.09 2.03 -0.16 0.00 1.31 0.00 0.00 55.95 59.22 1raf s SER 122 Cb -0.10 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.55 1raf s SER 122 CO 0.04 0.07 1.22 -0.94 0.41 0.00 0.00 173.24 174.04 1raf s SER 123 N -1.12 4.32 -0.19 2.44 1.04 -1.26 -4.77 113.70 114.16 1raf s SER 123 Ca 0.42 2.38 -0.16 0.00 0.48 0.00 0.00 55.95 59.08 1raf s SER 123 Cb -0.27 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.31 1raf s SER 123 CO 0.34 -2.18 0.49 -0.55 0.98 0.00 0.00 173.24 172.32 1raf s SER 124 N -1.94 -0.54 -0.05 7.02 0.15 -1.26 -0.25 113.70 116.83 1raf s SER 124 Ca 0.75 1.01 0.02 0.00 0.70 0.00 0.00 55.95 58.44 1raf s SER 124 Cb -0.30 1.00 0.01 0.00 -1.71 0.00 0.00 66.02 65.02 1raf s SER 124 CO 0.44 -0.18 -0.10 -0.36 1.20 0.00 0.00 173.24 174.24 1raf s PHE 125 N 0.55 1.19 0.08 3.44 0.08 -1.16 -1.29 117.98 120.87 1raf s PHE 125 Ca -0.02 -0.40 -0.26 0.00 0.12 0.00 0.00 56.93 56.37 1raf s PHE 125 Cb -0.04 -0.90 -0.06 0.00 -0.57 0.00 0.00 43.02 41.45 1raf s PHE 125 CO -0.03 -0.22 0.81 0.00 -0.10 0.00 0.00 175.22 175.68 1raf s ALA 126 N 0.62 3.36 0.11 5.36 0.00 -0.10 -2.61 121.76 128.50 1raf s ALA 126 Ca -0.12 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.19 1raf s ALA 126 Cb -0.14 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1raf s ALA 126 CO 0.02 0.09 0.30 0.08 0.00 0.00 0.00 175.76 176.25 1raf s VAL 127 N -0.25 5.28 0.10 0.00 1.01 -0.56 -1.41 120.40 124.58 1raf s VAL 127 Ca 0.40 -0.26 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 1raf s VAL 127 Cb -0.22 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1raf s VAL 127 CO 0.25 0.05 0.58 0.00 0.00 0.00 0.00 175.10 175.98 1raf s ARG 128 N -2.72 1.18 -0.17 2.72 1.70 -0.79 -4.90 118.95 115.97 1raf s ARG 128 Ca 0.37 -0.33 -0.05 0.00 -0.47 0.00 0.00 55.73 55.25 1raf s ARG 128 Cb -0.12 0.55 0.01 0.00 -0.57 0.00 0.00 34.95 34.81 1raf s ARG 128 CO 0.27 -0.48 0.20 1.17 -1.08 0.00 0.00 175.30 175.38 1raf n LYS 129 N -0.02 -1.14 -1.68 3.89 4.81 -1.26 -2.27 118.16 120.49 1raf n LYS 129 Ca -0.17 1.27 -0.45 0.00 -0.87 0.00 0.00 58.31 58.08 1raf n LYS 129 Cb 0.63 -3.21 -0.04 0.00 0.02 0.00 0.00 35.03 32.43 1raf n LYS 129 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1raf n ARG 130 N -0.25 2.38 0.00 1.64 5.12 -1.26 -1.97 116.66 122.32 1raf n ARG 130 Ca 0.04 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 56.82 1raf n ARG 130 Cb 0.15 -2.68 0.00 0.00 -1.16 0.00 0.00 32.46 28.77 1raf n ARG 130 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1raf n ALA 131 N 4.64 0.00 0.20 7.54 0.00 -1.26 -4.47 120.51 127.16 1raf n ALA 131 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.69 1raf n ALA 131 Cb 0.32 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.16 1raf n ALA 131 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1raf h ASN 132 N 0.00 0.00 0.00 0.00 7.08 -2.00 -3.46 115.58 117.20 1raf h ASN 132 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1raf h ASN 132 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1raf h ASN 132 CO 0.00 0.31 0.00 0.47 -2.08 0.00 0.00 177.43 176.13 1raf n ASP 133 N -3.51 0.00 0.00 6.14 8.00 -1.25 -5.15 116.55 120.78 1raf n ASP 133 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1raf n ASP 133 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1raf n ASP 133 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1raf n ILE 134 N 0.00 0.00 -4.90 0.53 2.08 -0.83 -4.81 119.36 111.43 1raf n ILE 134 Ca 0.00 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 62.99 1raf n ILE 134 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 38.76 1raf n ILE 134 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1raf s ALA 135 N 0.00 2.61 -0.11 -1.39 0.00 -0.96 -1.25 121.76 120.65 1raf s ALA 135 Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1raf s ALA 135 Cb 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1raf s ALA 135 CO 0.00 0.56 -0.21 -0.51 0.00 0.00 0.00 175.76 175.60 1raf s LEU 136 N -0.82 1.99 -0.22 0.00 1.43 -0.69 -1.88 118.68 118.50 1raf s LEU 136 Ca 0.12 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1raf s LEU 136 Cb -0.11 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 1raf s LEU 136 CO 0.01 0.10 -0.01 -0.75 0.23 0.00 0.00 176.35 175.93 1raf s LYS 137 N 0.62 3.51 0.31 1.70 2.20 -0.50 -0.59 119.74 126.99 1raf s LYS 137 Ca -0.13 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.63 1raf s LYS 137 Cb -0.17 -3.08 -0.10 0.00 -1.51 0.00 0.00 37.83 32.98 1raf s LYS 137 CO 0.03 -0.12 1.25 0.00 -0.36 0.00 0.00 175.35 176.16 1raf h LYS 139 N 3.66 1.07 0.00 0.00 3.64 -1.55 -2.11 116.57 121.28 1raf h LYS 139 Ca -0.48 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1raf h LYS 139 Cb 1.22 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1raf h LYS 139 CO 0.67 0.71 -0.11 1.88 -2.27 0.00 0.00 179.45 180.33 1raf h TYR 140 N 1.10 0.00 0.00 1.91 0.05 -1.90 -3.40 116.97 114.73 1raf h TYR 140 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.11 1raf h TYR 140 Cb -0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1raf h TYR 140 CO -0.02 0.00 -0.07 0.00 -1.05 0.00 0.00 178.16 177.02 1raf n GLU 142 N -1.64 -2.69 -3.50 0.00 1.02 -0.79 -5.00 120.64 108.04 1raf n GLU 142 Ca 0.06 0.78 -0.38 0.00 -0.02 0.00 0.00 57.16 57.60 1raf n GLU 142 Cb 0.36 -5.46 -0.06 0.00 -0.02 0.00 0.00 31.44 26.25 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 -5.28 3.91 -0.18 3.49 -0.14 -1.26 -4.81 119.74 115.48 1raf s LYS 143 Ca 0.10 0.41 -0.05 0.00 -1.36 0.00 0.00 55.97 55.07 1raf s LYS 143 Cb -0.05 -3.21 -0.03 0.00 -1.68 0.00 0.00 37.83 32.85 1raf s LYS 143 CO 0.13 0.69 0.01 -2.00 -0.76 0.00 0.00 175.35 173.42 1raf s GLU 144 N -1.10 3.76 0.40 1.68 2.12 -1.26 -1.69 118.70 122.61 1raf s GLU 144 Ca 0.24 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 55.15 1raf s GLU 144 Cb -0.17 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 1raf s GLU 144 CO 0.13 0.17 0.05 -0.06 -0.54 0.00 0.00 175.26 175.02 1raf s PHE 145 N 0.59 2.06 0.07 5.30 0.08 0.25 -4.93 117.98 121.38 1raf s PHE 145 Ca 0.00 -0.95 -0.21 0.00 0.12 0.00 0.00 56.93 55.90 1raf s PHE 145 Cb -0.14 -1.46 -0.06 0.00 -0.57 0.00 0.00 43.02 40.79 1raf s PHE 145 CO 0.02 0.11 0.62 0.45 -0.10 0.00 0.00 175.22 176.32 1raf s SER 146 N -3.65 7.10 0.32 1.36 0.15 -1.26 -1.70 113.70 116.02 1raf s SER 146 Ca 0.27 1.31 0.06 0.00 0.70 0.00 0.00 55.95 58.28 1raf s SER 146 Cb 0.06 -2.39 0.71 0.00 -1.71 0.00 0.00 66.02 62.69 1raf s SER 146 CO 0.13 0.20 1.84 1.12 1.20 0.00 0.00 173.24 177.73 1raf h HIS 147 N 4.87 0.99 -0.75 3.44 2.07 -1.49 0.47 115.15 124.75 1raf h HIS 147 Ca -0.48 0.03 0.11 0.00 -2.85 0.00 0.00 60.37 57.19 1raf h HIS 147 Cb 1.21 -0.31 -0.13 0.00 2.57 0.00 0.00 27.41 30.75 1raf h HIS 147 CO 0.67 0.34 -0.40 -0.91 -3.07 0.00 0.00 177.93 174.56 1raf h ASN 148 N 0.82 -1.43 -0.38 3.10 2.35 -1.92 0.80 115.58 118.92 1raf h ASN 148 Ca 0.50 0.27 -0.16 0.00 -0.55 0.00 0.00 56.30 56.36 1raf h ASN 148 Cb 0.68 0.70 -0.01 0.00 0.05 0.00 0.00 38.32 39.74 1raf h ASN 148 CO -0.26 -0.30 -0.38 0.58 -1.65 0.00 0.00 177.43 175.41 1raf h VAL 149 N -0.12 1.27 -0.08 2.81 2.07 -0.46 -1.32 116.25 120.43 1raf h VAL 149 Ca 0.25 -1.56 -0.14 0.00 0.82 0.00 0.00 66.70 66.07 1raf h VAL 149 Cb 0.56 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1raf h VAL 149 CO -0.80 0.52 -0.57 0.58 0.02 0.00 0.00 177.57 177.31 1raf h VAL 150 N 0.75 1.37 0.00 2.57 2.07 -0.51 -1.64 116.25 120.86 1raf h VAL 150 Ca 0.06 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1raf h VAL 150 Cb 0.98 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1raf h VAL 150 CO 0.10 0.56 0.00 -0.07 0.02 0.00 0.00 177.57 178.18 1raf h LEU 151 N 0.18 0.00 -0.03 2.57 3.38 -0.88 -3.09 115.31 117.45 1raf h LEU 151 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1raf h LEU 151 Cb 1.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.82 1raf h LEU 151 CO 0.09 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.30 1raf h ALA 152 N 2.34 0.07 0.00 1.53 0.00 -0.26 -3.50 119.26 119.44 1raf h ALA 152 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1raf h ALA 152 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1raf h ALA 152 CO 0.00 0.15 0.00 -1.71 0.00 0.00 0.00 179.25 177.69