#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iaf s SER 5 N 0.00 4.53 0.00 6.43 1.04 -1.26 -4.50 113.70 119.93 2iaf s SER 5 Ca 0.00 -3.17 0.23 0.00 0.48 0.00 0.00 55.95 53.48 2iaf s SER 5 Cb 0.00 -1.67 0.48 0.00 0.10 0.00 0.00 66.02 64.93 2iaf s SER 5 CO 0.00 -0.21 1.43 1.41 0.98 0.00 0.00 173.24 176.84 2iaf n HIS 6 N 2.91 0.50 0.01 5.02 -0.00 -1.26 -4.39 115.22 118.01 2iaf n HIS 6 Ca 0.08 -0.25 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2iaf n HIS 6 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.32 2iaf n HIS 6 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2iaf n THR 7 N 1.37 0.22 0.22 1.59 -2.24 -1.26 -3.48 114.28 110.70 2iaf n THR 7 Ca 0.19 0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.90 2iaf n THR 7 Cb 0.58 -1.39 -0.08 0.00 -2.10 0.00 0.00 70.33 67.34 2iaf n THR 7 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2iaf h VAL 8 N 0.00 0.53 0.08 2.28 2.07 -1.87 -3.21 116.25 116.12 2iaf h VAL 8 Ca 0.00 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.12 2iaf h VAL 8 Cb 0.70 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2iaf h VAL 8 CO 0.00 0.07 -0.20 1.23 0.02 0.00 0.00 177.57 178.69 2iaf h GLY 9 N -0.83 -0.34 -1.95 2.17 0.00 -1.79 -1.58 103.07 98.74 2iaf h GLY 9 Ca -0.06 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2iaf h GLY 9 CO 0.10 -0.18 0.00 -1.05 0.00 0.00 0.00 176.54 175.40 2iaf n PRO 10 N -5.33 0.00 0.00 4.80 -0.02 -1.21 -0.74 135.00 132.49 2iaf n PRO 10 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2iaf n PRO 10 Cb 0.24 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 2iaf n PRO 10 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2iaf n LEU 12 N 0.65 0.00 -0.23 2.45 4.77 -0.60 -1.65 117.00 122.39 2iaf n LEU 12 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2iaf n LEU 12 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2iaf n LEU 12 CO 0.00 0.00 0.99 0.00 -1.33 0.00 0.00 177.39 177.05 2iaf h ALA 13 N 0.00 0.83 -0.75 -1.18 0.00 -1.21 -0.58 119.26 116.37 2iaf h ALA 13 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2iaf h ALA 13 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2iaf h ALA 13 CO 0.00 0.45 0.40 0.00 0.00 0.00 0.00 179.25 180.10 2iaf h ALA 14 N 1.10 0.96 0.10 0.00 0.00 -1.58 0.38 119.26 120.21 2iaf h ALA 14 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2iaf h ALA 14 Cb 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2iaf h ALA 14 CO -0.01 0.48 -0.05 -0.91 0.00 0.00 0.00 179.25 178.76 2iaf h ASN 15 N 1.03 -0.11 -0.62 0.00 -0.26 -1.61 -1.42 115.58 112.60 2iaf h ASN 15 Ca 0.26 -0.09 0.11 0.00 -0.56 0.00 0.00 56.30 56.02 2iaf h ASN 15 Cb 0.05 0.03 -0.08 0.00 -1.06 0.00 0.00 38.32 37.26 2iaf h ASN 15 CO -0.04 0.02 0.18 0.00 -1.06 0.00 0.00 177.43 176.53 2iaf h ALA 16 N 0.66 0.77 -0.52 -0.83 0.00 -0.92 -1.82 119.26 116.59 2iaf h ALA 16 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2iaf h ALA 16 Cb 0.20 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2iaf h ALA 16 CO 0.02 -0.25 0.33 0.35 0.00 0.00 0.00 179.25 179.70 2iaf h PHE 17 N 0.33 0.63 -0.79 0.00 3.57 -0.59 0.23 116.94 120.32 2iaf h PHE 17 Ca 0.32 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.92 2iaf h PHE 17 Cb 0.45 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 2iaf h PHE 17 CO -0.21 0.39 0.45 -0.07 -2.23 0.00 0.00 178.31 176.64 2iaf h LEU 18 N 0.68 0.65 -0.75 0.59 3.38 -0.84 -1.44 115.31 117.58 2iaf h LEU 18 Ca 0.19 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 2iaf h LEU 18 Cb -0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2iaf h LEU 18 CO -0.05 0.39 -0.57 -0.61 0.09 0.00 0.00 178.44 177.69 2iaf h GLN 19 N 0.78 0.18 -0.52 1.13 5.75 -0.74 -2.63 115.11 119.05 2iaf h GLN 19 Ca 0.37 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.73 2iaf h GLN 19 Cb 0.31 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 2iaf h GLN 19 CO -0.23 0.69 0.19 1.25 -2.65 0.00 0.00 178.83 178.09 2iaf h LEU 20 N 0.13 0.74 -1.44 -2.39 5.85 -0.38 0.25 115.31 118.06 2iaf h LEU 20 Ca -0.00 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.58 2iaf h LEU 20 Cb 1.04 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 2iaf h LEU 20 CO 0.08 0.72 0.42 -0.07 -0.34 0.00 0.00 178.44 179.26 2iaf h LEU 21 N 0.71 0.61 0.01 2.25 3.38 -0.94 0.37 115.31 121.70 2iaf h LEU 21 Ca 0.17 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2iaf h LEU 21 Cb 0.23 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2iaf h LEU 21 CO -0.01 0.41 -0.14 -0.33 0.09 0.00 0.00 178.44 178.46 2iaf h GLU 22 N 0.71 0.08 -0.71 1.13 4.39 -1.17 0.21 114.58 119.22 2iaf h GLU 22 Ca 0.27 -0.10 0.16 0.00 0.34 0.00 0.00 59.36 60.03 2iaf h GLU 22 Cb 0.17 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2iaf h GLU 22 CO -0.08 0.91 0.49 0.37 -1.16 0.00 0.00 179.01 179.54 2iaf h GLN 23 N -0.70 0.26 -0.08 2.33 -0.00 -0.70 -1.21 115.11 115.01 2iaf h GLN 23 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2iaf h GLN 23 Cb 0.97 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.39 2iaf h GLN 23 CO 0.03 0.17 0.00 1.63 0.00 0.00 0.00 178.83 180.66 2iaf n LYS 24 N -4.44 1.93 -4.02 1.69 4.76 0.10 -4.96 118.16 113.21 2iaf n LYS 24 Ca 0.14 -1.36 -0.32 0.00 -2.87 0.00 0.00 58.31 53.90 2iaf n LYS 24 Cb 0.59 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2iaf n LYS 24 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2iaf n ASN 25 N 0.62 -3.77 -0.34 4.39 4.05 -0.46 -4.90 115.26 114.85 2iaf n ASN 25 Ca 0.17 -0.88 0.06 0.00 0.45 0.00 0.00 54.58 54.39 2iaf n ASN 25 Cb 0.44 -3.43 0.01 0.00 1.23 0.00 0.00 39.78 38.02 2iaf n ASN 25 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2iaf n LEU 26 N -4.54 1.56 -0.06 1.20 4.77 0.68 -4.64 117.00 115.97 2iaf n LEU 26 Ca 0.01 -0.81 -0.10 0.00 -0.03 0.00 0.00 56.01 55.08 2iaf n LEU 26 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2iaf n LEU 26 CO 0.79 0.30 0.95 0.15 -1.33 0.00 0.00 177.39 178.25 2iaf h PHE 27 N 1.68 0.31 -0.14 -1.77 3.57 -1.82 -2.32 116.94 116.45 2iaf h PHE 27 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2iaf h PHE 27 Cb 0.46 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2iaf h PHE 27 CO 0.00 0.23 -0.11 -0.44 -2.23 0.00 0.00 178.31 175.76 2iaf h ASP 28 N 0.30 0.21 1.69 0.41 3.32 -1.90 -2.37 116.42 118.08 2iaf h ASP 28 Ca 0.09 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2iaf h ASP 28 Cb 0.01 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2iaf h ASP 28 CO -0.02 0.35 -0.05 0.11 -1.72 0.00 0.00 179.24 177.92 2iaf h LYS 29 N 0.22 0.00 -6.33 3.56 1.57 -1.80 -3.46 116.57 110.33 2iaf h LYS 29 Ca 0.05 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.28 2iaf h LYS 29 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2iaf h LYS 29 CO 0.02 0.05 0.98 0.99 -0.57 0.00 0.00 179.45 180.92 2iaf s THR 30 N -3.32 3.54 -0.07 -0.16 2.01 -0.89 -4.19 115.64 112.57 2iaf s THR 30 Ca 0.05 0.83 0.01 0.00 0.31 0.00 0.00 61.69 62.89 2iaf s THR 30 Cb 0.06 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 2iaf s THR 30 CO 0.64 -0.04 0.13 0.00 -0.69 0.00 0.00 174.62 174.67 2iaf n GLN 31 N 6.23 5.38 -3.69 4.92 1.13 0.34 -4.98 117.38 126.71 2iaf n GLN 31 Ca 0.15 -0.10 -0.14 0.00 -1.94 0.00 0.00 57.00 54.98 2iaf n GLN 31 Cb 0.43 -0.63 -0.09 0.00 0.11 0.00 0.00 30.24 30.05 2iaf n GLN 31 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2iaf s ARG 32 N -0.95 0.62 0.16 -1.09 3.52 -1.02 -4.23 118.95 115.96 2iaf s ARG 32 Ca 0.01 0.69 0.09 0.00 -0.13 0.00 0.00 55.73 56.39 2iaf s ARG 32 Cb 0.01 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.66 2iaf s ARG 32 CO 0.04 -0.08 -0.21 0.14 -0.81 0.00 0.00 175.30 174.39 2iaf s VAL 33 N 0.21 1.97 -0.01 7.11 -7.23 -1.26 -0.61 120.40 120.58 2iaf s VAL 33 Ca -0.01 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2iaf s VAL 33 Cb -0.04 -1.88 -0.00 0.00 0.56 0.00 0.00 36.38 35.02 2iaf s VAL 33 CO 0.01 -0.21 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.78 2iaf s LYS 34 N -2.59 0.51 -0.04 4.82 2.20 -0.27 -4.76 119.74 119.60 2iaf s LYS 34 Ca 0.16 -0.22 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 2iaf s LYS 34 Cb -0.07 -0.50 -0.00 0.00 -1.51 0.00 0.00 37.83 35.75 2iaf s LYS 34 CO 0.07 0.13 -0.17 0.08 -0.36 0.00 0.00 175.35 175.10 2iaf s VAL 35 N -0.13 1.42 -0.11 4.02 1.01 0.58 -1.14 120.40 126.05 2iaf s VAL 35 Ca 0.02 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2iaf s VAL 35 Cb -0.03 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.14 2iaf s VAL 35 CO -0.00 0.41 -0.22 -1.61 0.00 0.00 0.00 175.10 173.68 2iaf s GLU 36 N 0.04 2.91 -0.08 2.72 2.02 -0.30 -0.50 118.70 125.50 2iaf s GLU 36 Ca -0.04 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 54.10 2iaf s GLU 36 Cb -0.11 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 2iaf s GLU 36 CO 0.02 0.09 0.05 -0.51 0.02 0.00 0.00 175.26 174.93 2iaf s LEU 37 N 0.57 3.85 0.28 1.80 1.43 0.46 -0.69 118.68 126.37 2iaf s LEU 37 Ca -0.14 0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.28 2iaf s LEU 37 Cb -0.17 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2iaf s LEU 37 CO 0.04 0.37 -0.12 -0.31 0.23 0.00 0.00 176.35 176.56 2iaf s TYR 38 N -0.98 2.09 0.00 0.29 2.02 -0.42 -0.49 117.35 119.86 2iaf s TYR 38 Ca 0.15 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 2iaf s TYR 38 Cb -0.12 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 2iaf s TYR 38 CO 0.05 0.48 0.00 0.41 -1.57 0.00 0.00 175.55 174.92 2iaf n GLY 39 N -0.60 3.03 0.30 0.71 0.00 -0.28 -1.34 105.19 107.01 2iaf n GLY 39 Ca -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 2iaf n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2iaf h SER 40 N 0.86 0.64 -0.79 1.61 0.87 -1.88 -1.10 113.55 113.76 2iaf h SER 40 Ca 0.00 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 2iaf h SER 40 Cb 0.00 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 2iaf h SER 40 CO 0.00 0.61 0.40 -0.07 -0.53 0.00 0.00 176.83 177.24 2iaf h LEU 41 N 0.68 1.03 -0.43 2.23 3.38 -1.40 -2.74 115.31 118.07 2iaf h LEU 41 Ca 0.16 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 2iaf h LEU 41 Cb 0.21 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2iaf h LEU 41 CO -0.01 0.86 -0.61 0.00 0.09 0.00 0.00 178.44 178.77 2iaf h ALA 42 N 1.30 0.60 0.00 1.53 0.00 -0.37 -3.16 119.26 119.16 2iaf h ALA 42 Ca 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2iaf h ALA 42 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2iaf h ALA 42 CO -0.04 0.70 0.00 -0.07 0.00 0.00 0.00 179.25 179.84 2iaf h LEU 43 N 0.44 0.00 -0.82 0.00 3.38 -1.00 -2.46 115.31 114.86 2iaf h LEU 43 Ca -0.01 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 2iaf h LEU 43 Cb 1.18 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 2iaf h LEU 43 CO 0.12 0.00 0.40 0.00 0.09 0.00 0.00 178.44 179.05 2iaf h THR 44 N 0.00 0.71 0.00 0.22 1.03 -1.46 -3.49 112.91 109.92 2iaf h THR 44 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 2iaf h THR 44 Cb 0.46 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.63 2iaf h THR 44 CO 0.00 0.11 0.00 0.61 -0.01 0.00 0.00 175.52 176.23 2iaf n GLY 45 N -1.32 -2.31 3.64 2.99 0.00 -0.93 -4.70 105.19 102.55 2iaf n GLY 45 Ca 0.16 -1.48 -0.45 0.00 0.00 0.00 0.00 46.02 44.25 2iaf n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2iaf n LYS 46 N -1.76 1.69 -2.76 1.61 5.02 -1.26 -2.57 118.16 118.13 2iaf n LYS 46 Ca 0.00 0.60 -0.21 0.00 -2.02 0.00 0.00 58.31 56.67 2iaf n LYS 46 Cb 0.00 -2.12 0.01 0.00 -0.02 0.00 0.00 35.03 32.91 2iaf n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2iaf n GLY 47 N 1.52 -0.51 0.70 0.72 0.00 -1.26 -4.95 105.19 101.41 2iaf n GLY 47 Ca 0.10 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.23 2iaf n GLY 47 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2iaf n HIS 48 N -4.21 0.50 0.00 1.61 8.25 -1.06 -5.02 115.22 115.28 2iaf n HIS 48 Ca -0.16 -1.31 0.00 0.00 -0.26 0.00 0.00 57.72 55.99 2iaf n HIS 48 Cb 0.64 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2iaf n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2iaf n GLY 49 N -1.10 3.30 0.25 -1.41 0.00 -1.26 -4.91 105.19 100.05 2iaf n GLY 49 Ca 0.23 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 2iaf n GLY 49 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2iaf h THR 50 N 0.00 1.27 0.13 2.61 2.02 -1.89 0.13 112.91 117.18 2iaf h THR 50 Ca 0.00 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 2iaf h THR 50 Cb 0.00 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2iaf h THR 50 CO 0.00 0.41 -0.06 -2.24 0.37 0.00 0.00 175.52 174.00 2iaf h ASP 51 N 0.68 -0.15 -0.63 4.18 3.04 -1.89 -1.38 116.42 120.27 2iaf h ASP 51 Ca 0.11 -0.01 -0.03 0.00 -3.24 0.00 0.00 57.03 53.86 2iaf h ASP 51 Cb 0.63 0.04 -0.03 0.00 -1.04 0.00 0.00 39.33 38.93 2iaf h ASP 51 CO 0.04 -0.09 0.28 0.07 -2.04 0.00 0.00 179.24 177.50 2iaf h LYS 52 N -0.20 0.95 -0.32 4.15 2.10 -1.92 -1.57 116.57 119.76 2iaf h LYS 52 Ca -0.02 -0.15 -0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2iaf h LYS 52 Cb 0.15 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.30 2iaf h LYS 52 CO 0.03 0.76 0.18 0.00 -2.00 0.00 0.00 179.45 178.43 2iaf h ALA 53 N 1.37 0.41 -0.26 0.07 0.00 -0.56 -2.01 119.26 118.26 2iaf h ALA 53 Ca 0.22 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2iaf h ALA 53 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2iaf h ALA 53 CO -0.02 -0.08 -0.17 0.82 0.00 0.00 0.00 179.25 179.80 2iaf h ILE 54 N 0.40 1.30 -0.48 0.00 2.04 -1.03 -0.27 117.51 119.48 2iaf h ILE 54 Ca 0.11 -1.29 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 2iaf h ILE 54 Cb 0.03 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2iaf h ILE 54 CO -0.02 0.40 0.04 -0.07 0.00 0.00 0.00 178.15 178.50 2iaf h LEU 55 N 0.31 0.79 -0.42 1.44 3.38 -1.26 0.10 115.31 119.65 2iaf h LEU 55 Ca 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2iaf h LEU 55 Cb 0.70 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2iaf h LEU 55 CO 0.05 0.88 0.13 0.78 0.09 0.00 0.00 178.44 180.37 2iaf h ASN 56 N 0.68 0.61 -0.66 -0.43 4.21 -1.37 -2.96 115.58 115.66 2iaf h ASN 56 Ca 0.14 -0.21 0.09 0.00 1.21 0.00 0.00 56.30 57.54 2iaf h ASN 56 Cb 0.45 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 2iaf h ASN 56 CO 0.02 0.65 0.44 1.23 -1.29 0.00 0.00 177.43 178.48 2iaf h GLY 57 N 0.54 0.74 2.00 2.83 0.00 -0.74 -1.75 103.07 106.69 2iaf h GLY 57 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2iaf h GLY 57 CO -0.00 0.14 0.00 1.04 0.00 0.00 0.00 176.54 177.71 2iaf n LEU 58 N -4.48 0.59 -1.54 3.11 4.77 -0.00 -1.57 117.00 117.87 2iaf n LEU 58 Ca 0.11 0.64 0.07 0.00 -0.03 0.00 0.00 56.01 56.79 2iaf n LEU 58 Cb 0.33 -0.54 0.33 0.00 -2.33 0.00 0.00 43.42 41.21 2iaf n LEU 58 CO 0.33 -0.48 0.77 -0.62 -1.33 0.00 0.00 177.39 176.07 2iaf n GLU 59 N -2.14 3.79 -1.54 3.23 1.02 -0.70 -0.92 120.64 123.38 2iaf n GLU 59 Ca 0.03 -2.59 -0.10 0.00 -0.02 0.00 0.00 57.16 54.47 2iaf n GLU 59 Cb 0.24 -1.96 -0.03 0.00 -0.02 0.00 0.00 31.44 29.67 2iaf n GLU 59 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2iaf n ASN 60 N 0.81 -3.96 -4.76 1.62 3.02 -0.61 -3.48 115.26 107.89 2iaf n ASN 60 Ca 0.23 0.18 -0.39 0.00 -0.03 0.00 0.00 54.58 54.57 2iaf n ASN 60 Cb 0.91 -2.58 -0.06 0.00 -0.61 0.00 0.00 39.78 37.43 2iaf n ASN 60 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2iaf s LYS 61 N -3.30 4.74 0.09 3.52 -0.14 -0.94 -5.00 119.74 118.72 2iaf s LYS 61 Ca 0.00 1.40 0.08 0.00 -1.36 0.00 0.00 55.97 56.08 2iaf s LYS 61 Cb 0.00 -3.13 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 2iaf s LYS 61 CO 0.00 0.45 -0.16 0.00 -0.76 0.00 0.00 175.35 174.88 2iaf s ALA 62 N -1.31 2.74 0.17 5.17 0.00 -1.26 -4.05 121.76 123.23 2iaf s ALA 62 Ca 0.43 -1.28 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 2iaf s ALA 62 Cb -0.23 -0.74 0.14 0.00 0.00 0.00 0.00 23.12 22.28 2iaf s ALA 62 CO 0.29 0.60 1.74 -1.35 0.00 0.00 0.00 175.76 177.04 2iaf h PRO 63 N 3.89 0.27 -2.58 0.00 0.11 -1.97 -3.52 132.00 128.20 2iaf h PRO 63 Ca -0.49 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2iaf h PRO 63 Cb 1.17 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2iaf h PRO 63 CO 0.48 0.18 0.21 0.39 -0.21 0.00 0.00 178.00 179.05 2iaf n GLU 64 N -5.05 0.48 -1.78 1.05 4.71 -1.26 -5.15 120.64 113.64 2iaf n GLU 64 Ca 0.04 -0.21 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 2iaf n GLU 64 Cb 0.19 -1.58 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 2iaf n GLU 64 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2iaf n SER 70 N 2.66 -1.54 0.00 1.62 3.41 -1.26 -5.28 113.62 113.24 2iaf n SER 70 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2iaf n SER 70 Cb 0.22 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2iaf n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iaf n ILE 72 N -1.49 0.00 -0.25 -1.33 3.06 -1.26 -2.16 119.36 115.93 2iaf n ILE 72 Ca 0.00 0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.31 2iaf n ILE 72 Cb 0.39 0.00 0.18 0.00 0.54 0.00 0.00 39.64 40.74 2iaf n ILE 72 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 2iaf h PRO 73 N 0.00 0.21 -1.82 9.51 0.13 -2.06 -1.42 132.00 136.56 2iaf h PRO 73 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2iaf h PRO 73 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 2iaf h PRO 73 CO 0.00 0.14 0.00 -2.13 -0.23 0.00 0.00 178.00 175.78 2iaf n ARG 74 N -5.21 0.26 0.00 0.86 3.00 -0.92 -0.41 116.66 114.25 2iaf n ARG 74 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 2iaf n ARG 74 Cb 0.47 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.56 2iaf n ARG 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2iaf n HIS 76 N 1.16 0.00 -0.15 -0.14 8.25 -0.53 -1.27 115.22 122.53 2iaf n HIS 76 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2iaf n HIS 76 Cb 0.13 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 2iaf n HIS 76 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2iaf h GLU 77 N 0.00 0.98 -0.69 -0.41 5.08 -1.01 0.50 114.58 119.03 2iaf h GLU 77 Ca 0.00 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2iaf h GLU 77 Cb 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2iaf h GLU 77 CO 0.00 1.11 0.42 0.82 -1.00 0.00 0.00 179.01 180.36 2iaf h ILE 78 N 0.82 1.20 -0.09 3.13 2.04 -1.41 -0.06 117.51 123.14 2iaf h ILE 78 Ca 0.10 -0.43 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 2iaf h ILE 78 Cb 0.84 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2iaf h ILE 78 CO 0.07 0.20 -0.41 -0.07 0.00 0.00 0.00 178.15 177.95 2iaf h LEU 79 N 0.94 0.51 -0.06 1.44 3.38 -1.78 -0.44 115.31 119.30 2iaf h LEU 79 Ca 0.25 -0.64 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2iaf h LEU 79 Cb -0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2iaf h LEU 79 CO -0.05 1.07 -0.13 -0.78 0.09 0.00 0.00 178.44 178.64 2iaf h ASP 80 N -0.01 -0.39 1.53 -0.43 3.58 -0.91 -3.18 116.42 116.60 2iaf h ASP 80 Ca -0.03 0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.39 2iaf h ASP 80 Cb 1.05 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 2iaf h ASP 80 CO 0.08 -0.18 -0.47 0.77 -2.88 0.00 0.00 179.24 176.57 2iaf h SER 81 N -0.19 0.00 -3.23 2.28 4.64 -1.05 -3.47 113.55 112.53 2iaf h SER 81 Ca 0.07 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.05 2iaf h SER 81 Cb 0.28 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2iaf h SER 81 CO -0.18 0.46 -0.48 0.59 -0.87 0.00 0.00 176.83 176.36 2iaf n ASN 82 N -3.21 -5.22 -4.05 4.97 4.13 -0.18 -4.97 115.26 106.73 2iaf n ASN 82 Ca 0.02 -0.15 -0.27 0.00 1.68 0.00 0.00 54.58 55.86 2iaf n ASN 82 Cb 0.72 -4.16 -0.17 0.00 -1.54 0.00 0.00 39.78 34.63 2iaf n ASN 82 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2iaf s LEU 83 N -5.32 1.70 -0.18 3.41 1.43 -1.19 -1.20 118.68 117.34 2iaf s LEU 83 Ca 0.15 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2iaf s LEU 83 Cb -0.07 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 2iaf s LEU 83 CO 0.18 0.03 -0.04 -0.22 0.23 0.00 0.00 176.35 176.53 2iaf s LEU 84 N 0.86 3.08 -1.16 1.79 2.96 0.01 -4.49 118.68 121.73 2iaf s LEU 84 Ca -0.10 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 2iaf s LEU 84 Cb -0.15 -1.75 0.14 0.00 0.50 0.00 0.00 46.19 44.92 2iaf s LEU 84 CO 0.01 0.10 1.43 0.21 -1.32 0.00 0.00 176.35 176.78 2iaf s ASN 85 N 0.78 6.92 -0.17 3.68 2.47 -1.26 -0.75 114.94 126.61 2iaf s ASN 85 Ca -0.02 -2.64 -0.29 0.00 0.42 0.00 0.00 52.86 50.34 2iaf s ASN 85 Cb -0.15 -2.44 -0.06 0.00 -1.45 0.00 0.00 41.25 37.16 2iaf s ASN 85 CO 0.02 -0.92 2.11 -0.22 -3.72 0.00 0.00 177.10 174.37 2iaf s LEU 86 N 2.42 3.68 0.00 3.21 0.20 0.10 -2.67 118.68 125.62 2iaf s LEU 86 Ca 0.43 2.01 0.00 0.00 0.69 0.00 0.00 54.13 57.26 2iaf s LEU 86 Cb -0.02 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 2iaf s LEU 86 CO -0.01 -1.72 0.00 0.00 -0.29 0.00 0.00 176.35 174.33 2iaf n ALA 87 N 10.58 0.00 0.00 5.97 0.00 -0.10 -2.92 120.51 134.04 2iaf n ALA 87 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2iaf n ALA 87 Cb 0.44 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.42 2iaf n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iaf n GLY 88 N -1.72 1.37 7.00 0.00 0.00 -1.09 -4.66 105.19 106.10 2iaf n GLY 88 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2iaf n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2iaf n LYS 89 N 0.00 0.00 -4.04 1.61 5.02 -1.26 -4.85 118.16 114.64 2iaf n LYS 89 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 2iaf n LYS 89 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 2iaf n LYS 89 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2iaf s LYS 90 N 0.00 2.38 -0.02 1.97 2.20 -1.15 -4.91 119.74 120.21 2iaf s LYS 90 Ca 0.00 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.53 2iaf s LYS 90 Cb 0.00 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 2iaf s LYS 90 CO 0.00 -0.32 1.16 -1.21 -0.36 0.00 0.00 175.35 174.63 2iaf s GLU 91 N 1.38 4.40 0.12 4.03 2.02 -1.26 -0.72 118.70 128.67 2iaf s GLU 91 Ca 0.02 1.66 0.08 0.00 0.02 0.00 0.00 54.97 56.74 2iaf s GLU 91 Cb -0.15 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 2iaf s GLU 91 CO -0.10 -0.34 -0.19 0.96 0.02 0.00 0.00 175.26 175.61 2iaf s ILE 92 N 1.74 1.65 0.39 -1.63 -4.36 0.07 -4.92 121.20 114.12 2iaf s ILE 92 Ca 0.56 -1.65 -0.28 0.00 -0.26 0.00 0.00 60.65 59.03 2iaf s ILE 92 Cb -0.25 -1.59 -0.11 0.00 1.25 0.00 0.00 42.46 41.76 2iaf s ILE 92 CO 0.24 -0.19 1.45 -2.65 0.24 0.00 0.00 174.94 174.04 2iaf n PRO 93 N 0.82 2.52 -3.86 0.37 -0.02 -1.26 -0.81 135.00 132.77 2iaf n PRO 93 Ca -0.17 0.89 -0.18 0.00 -2.02 0.00 0.00 63.50 62.01 2iaf n PRO 93 Cb 0.55 -2.61 -0.17 0.00 -0.02 0.00 0.00 33.50 31.25 2iaf n PRO 93 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2iaf s PHE 94 N -1.13 0.28 -0.18 6.00 5.36 -0.34 -4.72 117.98 123.26 2iaf s PHE 94 Ca 0.55 0.03 -0.01 0.00 -0.96 0.00 0.00 56.93 56.55 2iaf s PHE 94 Cb -0.48 -0.44 0.05 0.00 -0.34 0.00 0.00 43.02 41.80 2iaf s PHE 94 CO 0.63 -0.15 -0.04 -1.01 -1.46 0.00 0.00 175.22 173.18 2iaf s HIS 95 N 1.28 1.72 0.26 10.12 3.76 -1.26 -4.38 115.29 126.79 2iaf s HIS 95 Ca -0.06 -1.16 -0.02 0.00 -0.15 0.00 0.00 55.06 53.67 2iaf s HIS 95 Cb -0.13 -1.32 0.50 0.00 1.11 0.00 0.00 32.58 32.74 2iaf s HIS 95 CO -0.02 -0.64 1.78 1.49 -0.85 0.00 0.00 174.74 176.49 2iaf h GLU 96 N 8.11 0.66 -0.81 1.40 4.81 -1.93 0.33 114.58 127.14 2iaf h GLU 96 Ca -0.22 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.11 2iaf h GLU 96 Cb 1.11 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 2iaf h GLU 96 CO 0.39 0.43 0.53 0.00 -0.73 0.00 0.00 179.01 179.64 2iaf h ALA 97 N 1.53 2.00 0.00 2.92 0.00 -1.96 -1.99 119.26 121.76 2iaf h ALA 97 Ca 0.45 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 2iaf h ALA 97 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2iaf h ALA 97 CO -0.33 -0.21 -1.59 0.25 0.00 0.00 0.00 179.25 177.37 2iaf n THR 98 N -4.51 0.10 0.61 0.00 -2.24 -0.94 -4.76 114.28 102.54 2iaf n THR 98 Ca 0.16 -0.31 0.06 0.00 -2.27 0.00 0.00 64.05 61.69 2iaf n THR 98 Cb 0.50 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 2iaf n THR 98 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2iaf n ASP 99 N -1.99 0.76 -3.50 3.42 8.00 0.06 -4.85 116.55 118.45 2iaf n ASP 99 Ca -0.04 -0.88 -0.26 0.00 0.71 0.00 0.00 54.79 54.31 2iaf n ASP 99 Cb 0.39 0.91 -0.13 0.00 -0.02 0.00 0.00 41.12 42.27 2iaf n ASP 99 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2iaf s PHE 100 N -2.14 0.20 -0.12 1.24 5.36 -0.77 -0.31 117.98 121.44 2iaf s PHE 100 Ca 0.06 -0.83 -0.01 0.00 -0.96 0.00 0.00 56.93 55.19 2iaf s PHE 100 Cb 0.10 -0.80 -0.02 0.00 -0.34 0.00 0.00 43.02 41.95 2iaf s PHE 100 CO 0.50 -0.85 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.82 2iaf s LEU 101 N 2.01 3.01 -0.50 6.12 1.43 0.34 -4.75 118.68 126.35 2iaf s LEU 101 Ca 0.10 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 2iaf s LEU 101 Cb -0.16 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.48 2iaf s LEU 101 CO -0.31 0.22 0.42 -0.36 0.23 0.00 0.00 176.35 176.55 2iaf s PHE 102 N 0.04 3.29 -1.15 0.29 0.08 -1.26 -0.40 117.98 118.87 2iaf s PHE 102 Ca -0.02 -1.35 -0.07 0.00 0.12 0.00 0.00 56.93 55.61 2iaf s PHE 102 Cb -0.14 -3.51 0.25 0.00 -0.57 0.00 0.00 43.02 39.06 2iaf s PHE 102 CO 0.03 -0.95 1.51 1.28 -0.10 0.00 0.00 175.22 177.00 2iaf n LEU 103 N 5.14 6.18 0.31 -0.37 4.77 0.35 -4.83 117.00 128.55 2iaf n LEU 103 Ca -0.12 -4.95 0.19 0.00 -0.03 0.00 0.00 56.01 51.10 2iaf n LEU 103 Cb 0.41 -1.41 1.07 0.00 -2.33 0.00 0.00 43.42 41.16 2iaf n LEU 103 CO 0.49 1.43 1.16 1.56 -1.33 0.00 0.00 177.39 180.70 2iaf h GLN 104 N 5.94 0.00 -0.31 3.23 4.20 -1.83 -1.94 115.11 124.40 2iaf h GLN 104 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2iaf h GLN 104 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2iaf h GLN 104 CO 1.34 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 181.13 2iaf n LYS 105 N -3.41 2.28 -4.31 1.46 5.02 -1.26 -4.70 118.16 113.24 2iaf n LYS 105 Ca -0.03 -1.93 -0.20 0.00 -2.02 0.00 0.00 58.31 54.14 2iaf n LYS 105 Cb 0.11 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.53 2iaf n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2iaf s GLU 106 N -1.60 1.22 -0.03 1.97 2.02 -0.73 -5.06 118.70 116.49 2iaf s GLU 106 Ca 0.36 -1.41 0.05 0.00 0.02 0.00 0.00 54.97 53.99 2iaf s GLU 106 Cb 0.21 -1.15 -0.01 0.00 0.10 0.00 0.00 34.13 33.28 2iaf s GLU 106 CO 0.30 0.22 -0.19 -0.51 0.02 0.00 0.00 175.26 175.10 2iaf s LEU 107 N -2.79 1.98 0.46 1.80 1.43 -1.26 -1.12 118.68 119.17 2iaf s LEU 107 Ca 0.16 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.72 2iaf s LEU 107 Cb -0.04 -1.03 -0.08 0.00 0.03 0.00 0.00 46.19 45.06 2iaf s LEU 107 CO 0.06 0.20 0.92 -0.76 0.23 0.00 0.00 176.35 176.99 2iaf s LEU 108 N -0.17 3.77 0.32 1.79 1.43 -1.26 -4.99 118.68 119.58 2iaf s LEU 108 Ca 0.00 1.50 0.10 0.00 -1.03 0.00 0.00 54.13 54.71 2iaf s LEU 108 Cb -0.10 -4.39 0.53 0.00 0.03 0.00 0.00 46.19 42.26 2iaf s LEU 108 CO 0.01 -0.47 1.72 1.55 0.23 0.00 0.00 176.35 179.40 2iaf h PRO 109 N 1.33 0.05 0.00 1.29 0.13 -2.01 -3.25 132.00 129.55 2iaf h PRO 109 Ca -0.47 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 2iaf h PRO 109 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2iaf h PRO 109 CO 0.62 0.51 -0.66 0.87 -0.23 0.00 0.00 178.00 179.12 2iaf h LYS 110 N 0.04 0.00 -1.39 0.86 1.79 -1.99 -3.47 116.57 112.41 2iaf h LYS 110 Ca -0.00 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.63 2iaf h LYS 110 Cb 0.85 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.26 2iaf h LYS 110 CO 0.06 0.66 0.73 -1.58 -1.08 0.00 0.00 179.45 178.24 2iaf s HIS 111 N -3.19 -0.22 0.26 -1.35 2.46 -1.23 -5.06 115.29 106.98 2iaf s HIS 111 Ca 0.01 0.34 -0.05 0.00 0.47 0.00 0.00 55.06 55.83 2iaf s HIS 111 Cb 0.10 0.48 0.31 0.00 -0.13 0.00 0.00 32.58 33.34 2iaf s HIS 111 CO 0.76 -0.22 1.91 1.03 -2.47 0.00 0.00 174.74 175.75 2iaf h SER 112 N 2.29 1.06 -0.46 9.88 0.87 -1.92 -3.36 113.55 121.89 2iaf h SER 112 Ca -0.14 -0.06 -0.72 0.00 -1.23 0.00 0.00 61.79 59.64 2iaf h SER 112 Cb 1.17 -0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 62.80 2iaf h SER 112 CO 0.27 0.81 2.85 0.59 -0.53 0.00 0.00 176.83 180.82 2iaf n ASN 113 N -4.36 4.95 -4.52 6.23 3.02 -1.26 -2.91 115.26 116.40 2iaf n ASN 113 Ca 0.10 -2.91 -0.22 0.00 -0.03 0.00 0.00 54.58 51.52 2iaf n ASN 113 Cb 0.06 -1.58 0.01 0.00 -0.61 0.00 0.00 39.78 37.66 2iaf n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2iaf n GLY 114 N 3.54 2.64 3.34 7.41 0.00 -1.26 -1.92 105.19 118.94 2iaf n GLY 114 Ca 0.52 -2.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 2iaf n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2iaf s ARG 116 N -4.05 0.43 -0.08 1.61 3.52 0.13 -1.31 118.95 119.20 2iaf s ARG 116 Ca 0.32 0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 56.84 2iaf s ARG 116 Cb -0.03 0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 2iaf s ARG 116 CO 0.20 -0.18 0.01 -0.06 -0.81 0.00 0.00 175.30 174.47 2iaf s PHE 117 N 1.79 3.19 0.03 5.12 0.08 0.15 -1.15 117.98 127.19 2iaf s PHE 117 Ca -0.08 0.21 0.02 0.00 0.12 0.00 0.00 56.93 57.21 2iaf s PHE 117 Cb -0.09 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 2iaf s PHE 117 CO -0.14 0.49 -0.07 -1.12 -0.10 0.00 0.00 175.22 174.28 2iaf s SER 118 N -0.95 0.77 -0.04 1.36 0.01 -0.29 0.28 113.70 114.84 2iaf s SER 118 Ca 0.14 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 57.04 2iaf s SER 118 Cb -0.11 0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 2iaf s SER 118 CO 0.03 -0.12 -0.17 0.00 0.41 0.00 0.00 173.24 173.39 2iaf s ALA 119 N -0.98 1.49 0.12 1.44 0.00 -0.68 -1.12 121.76 122.02 2iaf s ALA 119 Ca -0.06 -0.68 0.10 0.00 0.00 0.00 0.00 51.96 51.32 2iaf s ALA 119 Cb -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 2iaf s ALA 119 CO 0.00 0.28 -0.25 -0.06 0.00 0.00 0.00 175.76 175.73 2iaf s PHE 120 N 0.00 2.13 0.11 0.00 0.08 0.21 -0.24 117.98 120.28 2iaf s PHE 120 Ca -0.03 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.61 2iaf s PHE 120 Cb -0.11 -1.16 0.03 0.00 -0.57 0.00 0.00 43.02 41.21 2iaf s PHE 120 CO 0.02 0.29 0.14 -0.40 -0.10 0.00 0.00 175.22 175.16 2iaf n ASP 121 N 1.00 -0.23 0.19 1.36 5.68 -0.42 -0.50 116.55 123.63 2iaf n ASP 121 Ca -0.18 -0.95 0.14 0.00 -0.50 0.00 0.00 54.79 53.29 2iaf n ASP 121 Cb 0.53 -0.11 0.43 0.00 -1.14 0.00 0.00 41.12 40.83 2iaf n ASP 121 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2iaf h GLY 122 N -0.31 0.00 -2.74 6.12 0.00 -1.91 -3.21 103.07 101.03 2iaf h GLY 122 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2iaf h GLY 122 CO 0.03 0.00 0.05 0.70 0.00 0.00 0.00 176.54 177.32 2iaf n ASN 123 N -2.73 4.01 -0.07 0.19 5.03 -1.26 -4.93 115.26 115.49 2iaf n ASN 123 Ca 0.03 -2.66 -0.01 0.00 0.87 0.00 0.00 54.58 52.81 2iaf n ASN 123 Cb 0.39 -0.63 -0.00 0.00 -1.02 0.00 0.00 39.78 38.51 2iaf n ASN 123 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2iaf n ALA 124 N 0.29 -0.01 -2.66 5.41 0.00 -1.21 -5.00 120.51 117.32 2iaf n ALA 124 Ca 0.21 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.28 2iaf n ALA 124 Cb 0.92 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 2iaf n ALA 124 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2iaf s ASN 125 N -2.11 6.80 -0.03 0.00 0.02 -1.26 -4.91 114.94 113.46 2iaf s ASN 125 Ca 0.00 0.96 -0.30 0.00 -1.02 0.00 0.00 52.86 52.50 2iaf s ASN 125 Cb 0.00 -2.32 -0.07 0.00 0.02 0.00 0.00 41.25 38.87 2iaf s ASN 125 CO 0.00 0.02 1.93 -0.22 0.02 0.00 0.00 177.10 178.85 2iaf s LEU 126 N 0.39 4.26 -0.05 0.60 2.96 -1.26 -1.30 118.68 124.27 2iaf s LEU 126 Ca 0.29 2.44 -0.15 0.00 -0.22 0.00 0.00 54.13 56.48 2iaf s LEU 126 Cb -0.16 -3.53 -0.31 0.00 0.50 0.00 0.00 46.19 42.69 2iaf s LEU 126 CO 0.13 -1.16 0.74 -0.07 -1.32 0.00 0.00 176.35 174.67 2iaf h LEU 127 N 11.19 0.57 -7.00 -0.68 3.38 -0.95 -3.47 115.31 118.34 2iaf h LEU 127 Ca -0.46 -0.91 0.02 0.00 0.09 0.00 0.00 57.88 56.62 2iaf h LEU 127 Cb 1.22 -0.19 -0.22 0.00 0.09 0.00 0.00 40.66 41.56 2iaf h LEU 127 CO 0.95 1.66 0.37 -0.51 0.09 0.00 0.00 178.44 181.00 2iaf s ILE 128 N -2.53 0.00 0.08 1.22 2.07 -1.19 -5.01 121.20 115.84 2iaf s ILE 128 Ca -0.15 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.14 2iaf s ILE 128 Cb 0.04 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 2iaf s ILE 128 CO 0.84 0.00 -0.14 -1.83 -1.91 0.00 0.00 174.94 171.91 2iaf s GLU 129 N -0.67 0.86 -0.15 3.50 -1.05 -1.26 -1.69 118.70 118.24 2iaf s GLU 129 Ca -0.03 -1.03 -0.09 0.00 -0.15 0.00 0.00 54.97 53.67 2iaf s GLU 129 Cb -0.02 -0.81 0.05 0.00 -0.44 0.00 0.00 34.13 32.91 2iaf s GLU 129 CO 0.02 0.17 0.36 -1.14 0.95 0.00 0.00 175.26 175.62 2iaf s GLN 130 N -2.03 0.35 -0.08 -4.83 2.00 0.14 -4.97 119.66 110.25 2iaf s GLN 130 Ca 0.01 0.67 -0.14 0.00 -2.00 0.00 0.00 55.36 53.89 2iaf s GLN 130 Cb -0.08 -0.01 -0.05 0.00 0.80 0.00 0.00 33.01 33.67 2iaf s GLN 130 CO 0.02 -0.14 0.36 0.08 -0.50 0.00 0.00 175.29 175.11 2iaf s VAL 131 N 1.14 5.18 0.12 1.34 1.01 -1.26 -0.67 120.40 127.26 2iaf s VAL 131 Ca -0.08 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.67 2iaf s VAL 131 Cb -0.08 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2iaf s VAL 131 CO -0.09 0.49 -0.13 -0.31 0.00 0.00 0.00 175.10 175.05 2iaf s TYR 132 N -0.35 1.34 0.04 5.22 2.02 -1.26 -1.77 117.35 122.59 2iaf s TYR 132 Ca 0.21 -0.59 0.09 0.00 -0.37 0.00 0.00 57.07 56.41 2iaf s TYR 132 Cb -0.15 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.68 2iaf s TYR 132 CO 0.09 0.12 -0.25 0.71 -1.57 0.00 0.00 175.55 174.65 2iaf s TYR 133 N -2.29 2.21 -0.29 2.71 2.02 0.08 -4.52 117.35 117.27 2iaf s TYR 133 Ca 0.09 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.29 2iaf s TYR 133 Cb -0.04 -1.32 -0.02 0.00 -0.40 0.00 0.00 41.96 40.17 2iaf s TYR 133 CO 0.02 0.11 0.15 0.45 -1.57 0.00 0.00 175.55 174.72 2iaf s SER 134 N -1.20 5.61 0.00 2.29 0.15 -0.81 -1.41 113.70 118.33 2iaf s SER 134 Ca 0.11 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2iaf s SER 134 Cb -0.10 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2iaf s SER 134 CO 0.02 -0.12 0.54 0.00 1.20 0.00 0.00 173.24 174.87 2iaf n ILE 135 N 5.00 0.28 0.00 6.45 0.13 0.61 -4.66 119.36 127.17 2iaf n ILE 135 Ca -0.14 -0.36 0.00 0.00 -1.10 0.00 0.00 62.75 61.15 2iaf n ILE 135 Cb 0.50 1.07 0.00 0.00 -0.84 0.00 0.00 39.64 40.37 2iaf n ILE 135 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2iaf n GLY 136 N -0.14 -0.01 3.64 4.50 0.00 -1.23 -4.79 105.19 107.16 2iaf n GLY 136 Ca 0.00 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 2iaf n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2iaf s GLY 137 N -0.83 1.43 0.00 -0.02 0.00 -1.26 -4.65 107.32 101.99 2iaf s GLY 137 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.10 2iaf s GLY 137 CO 0.00 2.72 0.00 0.61 0.00 0.00 0.00 173.10 176.43 2iaf n GLY 138 N 4.19 1.28 3.74 0.20 0.00 -1.26 -4.63 105.19 108.71 2iaf n GLY 138 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 2iaf n GLY 138 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2iaf s PHE 139 N -2.00 3.03 0.25 1.61 0.08 -1.26 -4.50 117.98 115.19 2iaf s PHE 139 Ca 0.00 -0.06 0.10 0.00 0.12 0.00 0.00 56.93 57.08 2iaf s PHE 139 Cb 0.00 -1.46 -0.05 0.00 -0.57 0.00 0.00 43.02 40.94 2iaf s PHE 139 CO 0.00 0.52 -0.16 0.96 -0.10 0.00 0.00 175.22 176.44 2iaf s ILE 140 N -1.74 2.09 -0.02 0.64 -4.36 -1.26 -0.28 121.20 116.26 2iaf s ILE 140 Ca 0.30 -2.29 -0.09 0.00 -0.26 0.00 0.00 60.65 58.31 2iaf s ILE 140 Cb -0.10 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.39 2iaf s ILE 140 CO 0.21 -0.46 0.19 0.28 0.24 0.00 0.00 174.94 175.41 2iaf s THR 141 N -2.75 0.06 0.75 8.37 -1.32 -0.50 -4.97 115.64 115.27 2iaf s THR 141 Ca 0.27 -0.47 -0.12 0.00 -1.21 0.00 0.00 61.69 60.16 2iaf s THR 141 Cb -0.02 -0.43 0.05 0.00 -1.51 0.00 0.00 72.50 70.58 2iaf s THR 141 CO 0.11 -0.26 1.11 0.42 -2.21 0.00 0.00 174.62 173.80 2iaf s THR 142 N -0.97 3.13 0.28 5.08 -4.23 -1.26 -0.74 115.64 116.92 2iaf s THR 142 Ca -0.11 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.84 2iaf s THR 142 Cb -0.06 -2.88 0.30 0.00 1.34 0.00 0.00 72.50 71.20 2iaf s THR 142 CO 0.02 -0.42 1.65 -0.08 -0.54 0.00 0.00 174.62 175.25 2iaf h GLU 143 N -0.78 0.22 -0.04 3.99 4.81 -1.70 -2.12 114.58 118.96 2iaf h GLU 143 Ca -0.45 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 2iaf h GLU 143 Cb 1.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2iaf h GLU 143 CO 0.51 0.14 -0.50 0.93 -0.73 0.00 0.00 179.01 179.37 2iaf h GLU 144 N 0.22 0.11 -0.00 1.92 3.07 -1.91 -2.92 114.58 115.07 2iaf h GLU 144 Ca 0.54 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 2iaf h GLU 144 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 2iaf h GLU 144 CO -0.63 0.58 -0.38 -0.25 -1.40 0.00 0.00 179.01 176.93 2iaf n ASP 145 N -3.95 0.63 -0.06 1.42 8.00 -0.97 -4.51 116.55 117.10 2iaf n ASP 145 Ca -0.02 -0.42 -0.07 0.00 0.71 0.00 0.00 54.79 54.99 2iaf n ASP 145 Cb 0.53 0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.77 2iaf n ASP 145 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2iaf h PHE 146 N 0.40 -0.51 0.00 1.24 3.57 -1.19 -2.02 116.94 118.43 2iaf h PHE 146 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2iaf h PHE 146 Cb 0.49 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2iaf h PHE 146 CO 0.00 -0.27 0.00 -0.25 -2.23 0.00 0.00 178.31 175.56 2iaf n ASP 147 N -5.35 0.83 -0.06 0.41 8.00 -1.26 -5.11 116.55 114.00 2iaf n ASP 147 Ca -0.00 -1.34 0.01 0.00 0.71 0.00 0.00 54.79 54.17 2iaf n ASP 147 Cb 0.27 -0.33 0.01 0.00 -0.02 0.00 0.00 41.12 41.04 2iaf n ASP 147 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10