#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5m s ILE 2 N 0.00 3.16 0.00 1.55 1.01 -1.26 -4.91 121.20 120.75 2f5m s ILE 2 Ca 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 60.65 59.33 2f5m s ILE 2 Cb 0.00 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.67 2f5m s ILE 2 CO 0.00 -0.12 0.82 -0.46 0.00 0.00 0.00 174.94 175.18 2f5m n ASN 3 N 4.66 0.01 -4.95 3.58 2.04 -1.26 -4.80 115.26 114.55 2f5m n ASN 3 Ca -0.13 -1.64 -0.23 0.00 -0.44 0.00 0.00 54.58 52.14 2f5m n ASN 3 Cb 0.44 -0.12 -0.02 0.00 -2.53 0.00 0.00 39.78 37.55 2f5m n ASN 3 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 2f5m s THR 4 N 0.00 5.16 0.15 5.53 -4.23 -1.26 -0.31 115.64 120.68 2f5m s THR 4 Ca 0.01 -0.63 -0.17 0.00 -1.18 0.00 0.00 61.69 59.72 2f5m s THR 4 Cb 0.01 -3.85 0.02 0.00 1.34 0.00 0.00 72.50 70.01 2f5m s THR 4 CO -0.00 -0.46 1.73 -0.26 -0.54 0.00 0.00 174.62 175.08 2f5m h PHE 5 N 0.96 0.10 -0.23 3.99 0.04 -1.98 -1.38 116.94 118.44 2f5m h PHE 5 Ca -0.50 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.14 2f5m h PHE 5 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 2f5m h PHE 5 CO 0.49 0.02 -0.42 -0.44 -0.60 0.00 0.00 178.31 177.36 2f5m h ASP 6 N 0.18 0.77 0.15 2.17 3.32 -1.98 -1.15 116.42 119.87 2f5m h ASP 6 Ca 0.15 -0.53 0.01 0.00 0.02 0.00 0.00 57.03 56.68 2f5m h ASP 6 Cb 0.17 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2f5m h ASP 6 CO -0.20 1.16 -0.22 1.23 -1.72 0.00 0.00 179.24 179.49 2f5m h GLY 7 N 0.41 -0.43 1.16 2.75 0.00 -1.97 -0.10 103.07 104.89 2f5m h GLY 7 Ca 0.01 0.25 -0.17 0.00 0.00 0.00 0.00 47.33 47.42 2f5m h GLY 7 CO 0.09 -0.20 -0.47 -2.08 0.00 0.00 0.00 176.54 173.89 2f5m h VAL 8 N -0.43 1.27 -0.19 4.60 2.07 -1.28 -1.95 116.25 120.34 2f5m h VAL 8 Ca 0.02 -1.65 0.03 0.00 0.82 0.00 0.00 66.70 65.92 2f5m h VAL 8 Cb 0.44 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2f5m h VAL 8 CO -0.10 0.54 0.01 0.00 0.02 0.00 0.00 177.57 178.04 2f5m h ALA 9 N 0.74 0.17 -0.34 1.67 0.00 -1.12 -0.44 119.26 119.95 2f5m h ALA 9 Ca 0.04 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2f5m h ALA 9 Cb 1.07 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2f5m h ALA 9 CO 0.11 -0.42 -0.25 -0.44 0.00 0.00 0.00 179.25 178.25 2f5m h ASP 10 N 0.08 0.69 -0.73 0.00 3.32 -1.00 -2.70 116.42 116.08 2f5m h ASP 10 Ca 0.09 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 2f5m h ASP 10 Cb 0.11 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2f5m h ASP 10 CO -0.14 0.91 0.42 0.22 -1.72 0.00 0.00 179.24 178.93 2f5m h TYR 11 N 0.59 0.98 -0.31 4.55 5.03 -1.01 -2.70 116.97 124.10 2f5m h TYR 11 Ca 0.08 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 2f5m h TYR 11 Cb 0.73 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 2f5m h TYR 11 CO 0.03 0.68 0.02 -0.07 -1.32 0.00 0.00 178.16 177.50 2f5m h LEU 12 N 1.00 0.52 -1.23 2.82 3.38 -0.86 -0.56 115.31 120.38 2f5m h LEU 12 Ca 0.26 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2f5m h LEU 12 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2f5m h LEU 12 CO -0.05 0.68 -0.37 1.56 0.09 0.00 0.00 178.44 180.36 2f5m h GLN 13 N 0.34 0.00 0.00 1.13 4.20 -1.46 0.32 115.11 119.64 2f5m h GLN 13 Ca 0.09 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 2f5m h GLN 13 Cb 0.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2f5m h GLN 13 CO 0.01 0.37 -0.68 1.15 -0.67 0.00 0.00 178.83 179.01 2f5m h THR 14 N 0.00 0.57 0.00 -0.54 2.02 -1.46 -3.41 112.91 110.09 2f5m h THR 14 Ca -0.00 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.56 2f5m h THR 14 Cb 0.71 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2f5m h THR 14 CO 0.05 0.19 -0.92 -1.22 0.37 0.00 0.00 175.52 173.99 2f5m n TYR 15 N -4.56 0.02 -3.17 3.16 0.53 -0.22 -4.98 117.16 107.93 2f5m n TYR 15 Ca -0.16 0.01 -0.23 0.00 -1.02 0.00 0.00 57.90 56.49 2f5m n TYR 15 Cb 0.42 -0.11 0.04 0.00 -1.03 0.00 0.00 39.34 38.65 2f5m n TYR 15 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 2f5m n HIS 16 N -1.57 -2.09 -3.52 -0.72 8.25 0.10 -4.98 115.22 110.69 2f5m n HIS 16 Ca 0.04 0.60 -0.10 0.00 -0.26 0.00 0.00 57.72 57.99 2f5m n HIS 16 Cb 0.35 -4.39 -0.02 0.00 1.12 0.00 0.00 29.99 27.05 2f5m n HIS 16 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2f5m s LYS 17 N -5.86 1.31 0.52 -0.41 -2.85 -1.26 -5.05 119.74 106.15 2f5m s LYS 17 Ca 0.37 -0.55 -0.20 0.00 -1.00 0.00 0.00 55.97 54.59 2f5m s LYS 17 Cb -0.17 0.56 -0.07 0.00 -2.06 0.00 0.00 37.83 36.09 2f5m s LYS 17 CO 0.45 -0.58 1.09 -0.51 0.10 0.00 0.00 175.35 175.90 2f5m s LEU 18 N -2.75 3.79 0.99 2.77 1.43 -1.26 -4.26 118.68 119.39 2f5m s LEU 18 Ca 0.04 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 2f5m s LEU 18 Cb -0.02 -4.57 0.16 0.00 0.03 0.00 0.00 46.19 41.79 2f5m s LEU 18 CO -0.09 -1.02 0.95 -2.65 0.23 0.00 0.00 176.35 173.77 2f5m n PRO 19 N -1.15 -0.92 0.08 1.29 -0.02 -1.26 -4.86 135.00 128.17 2f5m n PRO 19 Ca 0.11 -0.21 0.07 0.00 -2.02 0.00 0.00 63.50 61.45 2f5m n PRO 19 Cb 0.52 -2.22 0.35 0.00 -0.02 0.00 0.00 33.50 32.13 2f5m n PRO 19 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2f5m n ASP 20 N -3.83 0.33 -0.67 2.55 8.00 -1.26 -2.48 116.55 119.20 2f5m n ASP 20 Ca 0.09 0.62 0.04 0.00 0.71 0.00 0.00 54.79 56.25 2f5m n ASP 20 Cb 0.53 -0.68 0.14 0.00 -0.02 0.00 0.00 41.12 41.09 2f5m n ASP 20 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2f5m n ASN 21 N -1.91 1.89 -4.69 -2.24 6.94 -1.26 -4.85 115.26 109.14 2f5m n ASN 21 Ca 0.01 -2.09 -0.35 0.00 -0.02 0.00 0.00 54.58 52.13 2f5m n ASN 21 Cb 0.09 -0.29 -0.09 0.00 -2.36 0.00 0.00 39.78 37.13 2f5m n ASN 21 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2f5m s TYR 22 N -1.63 3.18 0.04 -2.53 2.02 -1.03 -0.39 117.35 117.01 2f5m s TYR 22 Ca 0.20 0.20 0.05 0.00 -0.37 0.00 0.00 57.07 57.14 2f5m s TYR 22 Cb 0.12 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 2f5m s TYR 22 CO 0.12 0.46 -0.14 0.96 -1.57 0.00 0.00 175.55 175.38 2f5m s ILE 23 N -0.83 1.07 0.89 2.71 -4.36 0.74 -4.88 121.20 116.53 2f5m s ILE 23 Ca 0.13 -1.04 -0.12 0.00 -0.26 0.00 0.00 60.65 59.36 2f5m s ILE 23 Cb -0.11 -0.98 0.12 0.00 1.25 0.00 0.00 42.46 42.73 2f5m s ILE 23 CO 0.02 -0.05 1.10 0.42 0.24 0.00 0.00 174.94 176.68 2f5m s THR 24 N -0.93 2.53 0.34 8.37 -4.23 -1.16 -0.66 115.64 119.90 2f5m s THR 24 Ca 0.00 0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.72 2f5m s THR 24 Cb -0.08 -2.80 0.19 0.00 1.34 0.00 0.00 72.50 71.15 2f5m s THR 24 CO 0.01 -0.23 1.92 0.11 -0.54 0.00 0.00 174.62 175.89 2f5m h LYS 25 N -1.46 0.63 -0.11 3.99 1.57 -1.97 -1.65 116.57 117.57 2f5m h LYS 25 Ca -0.50 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2f5m h LYS 25 Cb 1.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2f5m h LYS 25 CO 0.58 0.55 0.07 0.77 -0.57 0.00 0.00 179.45 180.85 2f5m h SER 26 N 0.62 0.11 -0.02 0.86 0.02 -1.99 0.17 113.55 113.31 2f5m h SER 26 Ca 0.15 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2f5m h SER 26 Cb 0.19 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2f5m h SER 26 CO -0.01 0.08 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.29 2f5m h GLU 27 N 0.14 -0.21 -0.47 3.45 5.08 -1.90 -1.82 114.58 118.85 2f5m h GLU 27 Ca 0.04 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2f5m h GLU 27 Cb -0.01 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2f5m h GLU 27 CO -0.02 -0.14 0.25 0.00 -1.00 0.00 0.00 179.01 178.10 2f5m h ALA 28 N 0.75 0.60 -0.70 3.43 0.00 -1.08 -1.87 119.26 120.39 2f5m h ALA 28 Ca 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2f5m h ALA 28 Cb 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2f5m h ALA 28 CO -0.15 0.13 0.46 1.96 0.00 0.00 0.00 179.25 181.65 2f5m h GLN 29 N 0.61 0.87 0.00 0.00 4.20 -0.47 -0.56 115.11 119.76 2f5m h GLN 29 Ca 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2f5m h GLN 29 Cb 0.07 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2f5m h GLN 29 CO -0.02 0.57 0.00 0.00 -0.67 0.00 0.00 178.83 178.71 2f5m h ALA 30 N 1.58 1.00 -0.20 3.87 0.00 -0.53 -1.93 119.26 123.04 2f5m h ALA 30 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2f5m h ALA 30 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2f5m h ALA 30 CO -0.07 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.46 2f5m n LEU 31 N -3.06 2.44 0.00 0.00 4.77 -0.75 -4.92 117.00 115.48 2f5m n LEU 31 Ca 0.00 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2f5m n LEU 31 Cb 0.27 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2f5m n LEU 31 CO 0.26 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2f5m n GLY 32 N 1.29 1.04 3.70 -0.72 0.00 -0.73 -4.86 105.19 104.92 2f5m n GLY 32 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2f5m n GLY 32 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2f5m s TRP 33 N -2.00 2.69 -0.29 1.61 -0.00 -0.29 -4.96 118.94 115.69 2f5m s TRP 33 Ca 0.00 0.47 0.01 0.00 -0.00 0.00 0.00 56.10 56.58 2f5m s TRP 33 Cb 0.00 -3.93 0.09 0.00 -0.00 0.00 0.00 33.47 29.63 2f5m s TRP 33 CO 0.00 -3.60 0.03 0.08 -0.00 0.00 0.00 176.95 173.46 2f5m s VAL 34 N 2.07 1.59 0.31 5.86 1.01 -1.26 -4.42 120.40 125.55 2f5m s VAL 34 Ca 0.72 -1.66 0.07 0.00 0.00 0.00 0.00 61.98 61.11 2f5m s VAL 34 Cb -0.41 -2.06 0.30 0.00 0.00 0.00 0.00 36.38 34.21 2f5m s VAL 34 CO 0.32 -0.44 1.75 0.00 0.00 0.00 0.00 175.10 176.73 2f5m h ALA 35 N 7.88 1.69 0.00 5.51 0.00 -1.99 0.34 119.26 132.69 2f5m h ALA 35 Ca -0.12 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2f5m h ALA 35 Cb 1.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2f5m h ALA 35 CO 0.47 -0.14 0.00 0.43 0.00 0.00 0.00 179.25 180.00 2f5m n SER 36 N -4.83 0.00 -0.11 0.00 7.64 -1.26 -2.09 113.62 112.97 2f5m n SER 36 Ca 0.24 -0.09 0.05 0.00 1.01 0.00 0.00 58.87 60.09 2f5m n SER 36 Cb 0.64 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 2f5m n SER 36 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2f5m n LYS 37 N -1.23 2.85 -2.53 1.43 5.02 0.10 -5.00 118.16 118.80 2f5m n LYS 37 Ca 0.09 -0.28 -0.21 0.00 -2.02 0.00 0.00 58.31 55.89 2f5m n LYS 37 Cb 0.13 -1.05 -0.00 0.00 -0.02 0.00 0.00 35.03 34.08 2f5m n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f5m n GLY 38 N 1.11 -0.50 1.38 0.72 0.00 -0.89 -4.90 105.19 102.11 2f5m n GLY 38 Ca 0.03 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.17 2f5m n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2f5m n ASN 39 N -2.11 4.06 -0.35 1.61 2.04 -1.26 -3.81 115.26 115.44 2f5m n ASN 39 Ca -0.22 -2.29 0.06 0.00 -0.44 0.00 0.00 54.58 51.69 2f5m n ASN 39 Cb 0.67 -0.52 0.22 0.00 -2.53 0.00 0.00 39.78 37.62 2f5m n ASN 39 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 2f5m h LEU 40 N 3.67 0.88 -2.01 -4.53 5.85 -1.89 -0.53 115.31 116.74 2f5m h LEU 40 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2f5m h LEU 40 Cb 1.20 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2f5m h LEU 40 CO 0.15 0.48 -0.05 0.00 -0.34 0.00 0.00 178.44 178.68 2f5m h ALA 41 N 1.51 1.10 0.15 1.25 0.00 -1.83 0.23 119.26 121.66 2f5m h ALA 41 Ca 0.47 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 55.04 2f5m h ALA 41 Cb 0.43 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.24 2f5m h ALA 41 CO -0.25 0.06 -1.25 -0.44 0.00 0.00 0.00 179.25 177.37 2f5m h ASP 42 N 0.00 0.83 0.77 0.00 3.32 -1.45 -3.05 116.42 116.84 2f5m h ASP 42 Ca -0.00 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.19 2f5m h ASP 42 Cb 0.33 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2f5m h ASP 42 CO 0.01 1.61 -1.06 1.33 -1.72 0.00 0.00 179.24 179.41 2f5m n VAL 43 N -3.82 0.43 -3.10 -1.35 0.24 -1.04 -4.53 118.33 105.16 2f5m n VAL 43 Ca -0.14 -0.45 -0.17 0.00 -2.04 0.00 0.00 64.34 61.54 2f5m n VAL 43 Cb 0.99 -0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 33.18 2f5m n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2f5m n ALA 44 N -2.07 1.49 -1.63 2.33 0.00 0.78 -4.96 120.51 116.44 2f5m n ALA 44 Ca 0.00 -3.00 -0.47 0.00 0.00 0.00 0.00 53.44 49.97 2f5m n ALA 44 Cb 0.51 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 2f5m n ALA 44 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2f5m n PRO 45 N 0.59 1.64 -0.92 0.00 -0.02 -1.15 -1.49 135.00 133.65 2f5m n PRO 45 Ca 0.20 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2f5m n PRO 45 Cb 0.64 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2f5m n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f5m n GLY 46 N 2.25 0.81 3.90 -1.23 0.00 -1.26 -5.02 105.19 104.65 2f5m n GLY 46 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2f5m n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f5m s LYS 47 N -0.18 3.24 0.10 1.61 -0.14 -0.55 -4.43 119.74 119.39 2f5m s LYS 47 Ca 0.00 -0.78 0.05 0.00 -1.36 0.00 0.00 55.97 53.88 2f5m s LYS 47 Cb 0.00 -2.81 -0.03 0.00 -1.68 0.00 0.00 37.83 33.31 2f5m s LYS 47 CO 0.00 0.46 -0.13 -1.12 -0.76 0.00 0.00 175.35 173.80 2f5m s SER 48 N -3.55 1.78 0.08 2.83 0.01 0.47 -4.86 113.70 110.46 2f5m s SER 48 Ca 0.33 -0.74 -0.31 0.00 1.31 0.00 0.00 55.95 56.55 2f5m s SER 48 Cb -0.10 -0.05 -0.06 0.00 0.21 0.00 0.00 66.02 66.02 2f5m s SER 48 CO 0.27 -0.14 1.22 -0.63 0.41 0.00 0.00 173.24 174.37 2f5m s ILE 49 N -1.89 3.90 -0.24 1.44 -1.09 -1.25 -0.19 121.20 121.87 2f5m s ILE 49 Ca 0.04 1.39 -0.31 0.00 -2.23 0.00 0.00 60.65 59.55 2f5m s ILE 49 Cb -0.06 -3.89 0.17 0.00 -1.58 0.00 0.00 42.46 37.10 2f5m s ILE 49 CO 0.02 0.12 1.26 -0.83 -1.23 0.00 0.00 174.94 174.28 2f5m s GLY 50 N 0.94 -0.06 0.00 6.18 0.00 0.17 -0.72 107.32 113.82 2f5m s GLY 50 Ca 0.59 2.44 0.00 0.00 0.00 0.00 0.00 44.72 47.75 2f5m s GLY 50 CO 0.30 0.99 0.00 0.61 0.00 0.00 0.00 173.10 175.00 2f5m n GLY 51 N 0.46 0.52 3.78 0.20 0.00 0.79 -3.00 105.19 107.95 2f5m n GLY 51 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2f5m n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2f5m s ASP 52 N -2.01 6.06 0.23 1.61 1.01 -1.23 -4.74 116.67 117.60 2f5m s ASP 52 Ca 0.00 2.12 -0.30 0.00 0.71 0.00 0.00 52.55 55.08 2f5m s ASP 52 Cb 0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 2f5m s ASP 52 CO 0.00 -0.98 1.23 -0.63 0.21 0.00 0.00 175.17 175.00 2f5m s ILE 53 N -1.78 3.33 -0.21 0.77 1.01 -1.26 -1.04 121.20 122.02 2f5m s ILE 53 Ca 0.68 1.17 -0.08 0.00 0.00 0.00 0.00 60.65 62.42 2f5m s ILE 53 Cb -0.23 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2f5m s ILE 53 CO 0.26 0.21 0.08 0.12 0.00 0.00 0.00 174.94 175.62 2f5m s PHE 54 N -0.34 3.21 0.26 3.97 5.36 0.84 -4.83 117.98 126.44 2f5m s PHE 54 Ca 0.52 -0.03 0.09 0.00 -0.96 0.00 0.00 56.93 56.55 2f5m s PHE 54 Cb -0.35 -2.16 0.33 0.00 -0.34 0.00 0.00 43.02 40.50 2f5m s PHE 54 CO 0.40 -0.01 1.60 0.77 -1.46 0.00 0.00 175.22 176.52 2f5m h SER 55 N 7.29 0.08 -5.75 6.13 0.02 -1.95 -3.39 113.55 115.98 2f5m h SER 55 Ca -0.37 -0.05 -0.38 0.00 -0.84 0.00 0.00 61.79 60.15 2f5m h SER 55 Cb 1.17 -0.02 0.14 0.00 0.14 0.00 0.00 62.40 63.83 2f5m h SER 55 CO 0.65 0.67 -0.68 -3.20 -1.14 0.00 0.00 176.83 173.13 2f5m n ASN 56 N -3.83 -5.66 -0.26 3.07 5.15 -1.26 -4.88 115.26 107.59 2f5m n ASN 56 Ca -0.02 -0.54 0.07 0.00 -0.60 0.00 0.00 54.58 53.49 2f5m n ASN 56 Cb 0.62 -4.99 0.20 0.00 -0.53 0.00 0.00 39.78 35.08 2f5m n ASN 56 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2f5m h ARG 57 N -2.55 0.35 -0.06 1.20 2.47 -2.01 -0.56 114.38 113.22 2f5m h ARG 57 Ca -0.57 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.13 2f5m h ARG 57 Cb 1.36 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 2f5m h ARG 57 CO 0.54 0.23 0.00 0.39 0.56 0.00 0.00 179.97 181.69 2f5m n GLU 58 N -5.08 1.33 -3.18 0.04 1.02 -1.26 -4.91 120.64 108.61 2f5m n GLU 58 Ca 0.15 -0.50 -0.23 0.00 -0.02 0.00 0.00 57.16 56.57 2f5m n GLU 58 Cb 0.47 -1.37 0.03 0.00 -0.02 0.00 0.00 31.44 30.55 2f5m n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f5m n GLY 59 N 0.98 -0.52 0.13 0.62 0.00 -0.22 -4.90 105.19 101.29 2f5m n GLY 59 Ca 0.16 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 2f5m n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f5m h LYS 60 N -1.40 0.39 -7.03 1.61 1.57 -1.91 -3.45 116.57 106.35 2f5m h LYS 60 Ca -0.51 -0.67 -0.45 0.00 -1.87 0.00 0.00 60.65 57.15 2f5m h LYS 60 Cb 1.35 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.90 2f5m h LYS 60 CO 0.56 1.30 0.35 -0.51 -0.57 0.00 0.00 179.45 180.58 2f5m s LEU 61 N -7.29 4.00 0.13 2.94 2.01 -1.26 -4.95 118.68 114.27 2f5m s LEU 61 Ca -0.11 1.77 -0.31 0.00 0.01 0.00 0.00 54.13 55.49 2f5m s LEU 61 Cb 0.05 -4.44 -0.11 0.00 0.01 0.00 0.00 46.19 41.71 2f5m s LEU 61 CO 0.88 -0.39 1.82 -0.81 1.01 0.00 0.00 176.35 178.86 2f5m n PRO 62 N -0.46 2.77 -4.02 1.29 -0.04 -1.26 -4.97 135.00 128.30 2f5m n PRO 62 Ca 0.06 1.00 -0.27 0.00 -0.04 0.00 0.00 63.50 64.26 2f5m n PRO 62 Cb 0.53 -2.89 -0.05 0.00 -0.04 0.00 0.00 33.50 31.05 2f5m n PRO 62 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2f5m s GLY 63 N 2.46 1.81 -0.23 0.55 0.00 -1.26 -5.08 107.32 105.57 2f5m s GLY 63 Ca 0.81 -1.09 -0.23 0.00 0.00 0.00 0.00 44.72 44.21 2f5m s GLY 63 CO 0.37 -1.09 0.65 1.25 0.00 0.00 0.00 173.10 174.27 2f5m s LYS 64 N -2.95 0.77 0.22 2.90 2.20 -1.26 -5.07 119.74 116.56 2f5m s LYS 64 Ca 0.32 0.86 -0.32 0.00 -0.36 0.00 0.00 55.97 56.47 2f5m s LYS 64 Cb -0.11 0.38 -0.13 0.00 -1.51 0.00 0.00 37.83 36.45 2f5m s LYS 64 CO 0.25 -0.10 1.48 -1.13 -0.36 0.00 0.00 175.35 175.48 2f5m n SER 65 N 2.62 2.96 0.00 1.43 3.41 -1.26 -0.42 113.62 122.36 2f5m n SER 65 Ca -0.14 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 2f5m n SER 65 Cb 0.56 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 2f5m n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f5m n GLY 66 N 2.54 2.94 3.66 5.00 0.00 -1.26 -5.01 105.19 113.06 2f5m n GLY 66 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2f5m n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f5m s ARG 67 N -0.00 4.16 -0.13 1.61 3.52 0.44 -4.95 118.95 123.60 2f5m s ARG 67 Ca 0.00 0.23 -0.05 0.00 -0.13 0.00 0.00 55.73 55.79 2f5m s ARG 67 Cb 0.00 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 2f5m s ARG 67 CO 0.00 -0.08 0.04 -0.08 -0.81 0.00 0.00 175.30 174.36 2f5m s THR 68 N 1.45 4.60 -0.11 4.11 -1.32 -1.26 -4.63 115.64 118.47 2f5m s THR 68 Ca 0.20 -0.12 -0.05 0.00 -1.21 0.00 0.00 61.69 60.51 2f5m s THR 68 Cb -0.15 -3.00 -0.04 0.00 -1.51 0.00 0.00 72.50 67.80 2f5m s THR 68 CO 0.08 0.55 0.07 0.26 -2.21 0.00 0.00 174.62 173.37 2f5m s TRP 69 N -0.38 3.36 0.29 9.09 0.52 -1.26 -1.94 118.94 128.62 2f5m s TRP 69 Ca 0.08 0.34 0.07 0.00 0.02 0.00 0.00 56.10 56.61 2f5m s TRP 69 Cb -0.12 -1.88 -0.06 0.00 -1.15 0.00 0.00 33.47 30.26 2f5m s TRP 69 CO 0.02 0.57 -0.05 1.03 0.02 0.00 0.00 176.95 178.54 2f5m s ARG 70 N -0.86 1.60 0.23 4.98 0.52 0.02 -0.11 118.95 125.34 2f5m s ARG 70 Ca 0.13 -1.82 0.07 0.00 -0.52 0.00 0.00 55.73 53.58 2f5m s ARG 70 Cb -0.12 -1.20 -0.05 0.00 0.52 0.00 0.00 34.95 34.10 2f5m s ARG 70 CO 0.03 0.02 -0.09 -1.83 0.02 0.00 0.00 175.30 173.45 2f5m s GLU 71 N -3.73 1.40 -0.08 3.54 -1.05 -0.21 -1.46 118.70 117.11 2f5m s GLU 71 Ca 0.31 -1.67 -0.18 0.00 -0.15 0.00 0.00 54.97 53.28 2f5m s GLU 71 Cb 0.04 -1.04 0.04 0.00 -0.44 0.00 0.00 34.13 32.74 2f5m s GLU 71 CO 0.13 0.09 0.43 0.00 0.95 0.00 0.00 175.26 176.86 2f5m s ALA 72 N -3.07 -1.09 0.27 -0.84 0.00 -0.53 -0.15 121.76 116.36 2f5m s ALA 72 Ca 0.26 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 2f5m s ALA 72 Cb 0.02 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 2f5m s ALA 72 CO 0.09 -0.27 1.05 -0.51 0.00 0.00 0.00 175.76 176.12 2f5m s ASP 73 N -0.75 7.37 0.05 0.00 1.11 0.10 -1.17 116.67 123.39 2f5m s ASP 73 Ca -0.08 2.16 0.09 0.00 0.18 0.00 0.00 52.55 54.90 2f5m s ASP 73 Cb -0.03 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 2f5m s ASP 73 CO 0.04 -0.06 -0.25 -0.63 1.18 0.00 0.00 175.17 175.45 2f5m s ILE 74 N -1.19 2.27 -1.88 0.77 -1.09 -0.88 -4.69 121.20 114.52 2f5m s ILE 74 Ca 0.44 -1.38 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 2f5m s ILE 74 Cb -0.30 -1.91 0.00 0.00 -1.58 0.00 0.00 42.46 38.67 2f5m s ILE 74 CO 0.38 0.34 0.00 0.59 -1.23 0.00 0.00 174.94 175.02 2f5m n ASN 75 N 1.66 -5.17 -4.74 3.58 5.03 0.57 -4.61 115.26 111.59 2f5m n ASN 75 Ca -0.17 0.41 -0.41 0.00 0.87 0.00 0.00 54.58 55.28 2f5m n ASN 75 Cb 0.52 -4.25 -0.05 0.00 -1.02 0.00 0.00 39.78 34.98 2f5m n ASN 75 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2f5m s TYR 76 N -2.69 3.83 0.00 3.10 5.04 -1.26 -4.92 117.35 120.45 2f5m s TYR 76 Ca 0.00 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 2f5m s TYR 76 Cb 0.00 -2.98 0.00 0.00 0.35 0.00 0.00 41.96 39.33 2f5m s TYR 76 CO 0.00 0.28 0.00 0.25 -1.34 0.00 0.00 175.55 174.74 2f5m n THR 77 N 2.53 0.00 -3.68 4.34 -2.24 -1.26 -4.94 114.28 109.02 2f5m n THR 77 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2f5m n THR 77 Cb 0.49 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 2f5m n THR 77 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2f5m s SER 78 N -4.10 -0.27 0.00 3.42 1.04 -1.26 -4.78 113.70 107.76 2f5m s SER 78 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2f5m s SER 78 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2f5m s SER 78 CO 0.00 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2f5m n GLY 79 N -0.41 -1.65 3.73 7.32 0.00 -1.25 -4.87 105.19 108.06 2f5m n GLY 79 Ca -0.07 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 2f5m n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f5m s PHE 80 N 0.00 2.15 0.56 1.61 0.08 -1.26 -4.51 117.98 116.61 2f5m s PHE 80 Ca 0.00 1.61 -0.20 0.00 0.12 0.00 0.00 56.93 58.46 2f5m s PHE 80 Cb 0.00 -3.37 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 2f5m s PHE 80 CO 0.00 -2.39 1.25 1.03 -0.10 0.00 0.00 175.22 175.01 2f5m s ARG 81 N -4.09 3.14 0.00 0.44 0.52 -1.26 -5.01 118.95 112.69 2f5m s ARG 81 Ca 0.71 1.95 0.00 0.00 -0.52 0.00 0.00 55.73 57.87 2f5m s ARG 81 Cb -0.26 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.11 2f5m s ARG 81 CO 0.46 -1.11 0.00 0.27 0.02 0.00 0.00 175.30 174.95 2f5m n ASN 82 N -1.24 0.00 -0.97 0.23 2.04 -1.26 -5.02 115.26 109.03 2f5m n ASN 82 Ca 0.12 -0.45 0.09 0.00 -0.44 0.00 0.00 54.58 53.90 2f5m n ASN 82 Cb 0.48 0.00 0.23 0.00 -2.53 0.00 0.00 39.78 37.96 2f5m n ASN 82 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2f5m n SER 83 N -1.34 3.38 -4.68 0.53 3.41 -1.26 -4.97 113.62 108.69 2f5m n SER 83 Ca 0.00 -1.98 -0.38 0.00 -0.26 0.00 0.00 58.87 56.25 2f5m n SER 83 Cb 0.00 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 2f5m n SER 83 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2f5m s ASP 84 N -1.02 6.43 0.01 4.04 1.01 -1.26 -2.62 116.67 123.27 2f5m s ASP 84 Ca 0.35 0.51 -0.00 0.00 0.71 0.00 0.00 52.55 54.12 2f5m s ASP 84 Cb 0.18 -2.22 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 2f5m s ASP 84 CO 0.24 -0.05 -0.02 -0.13 0.21 0.00 0.00 175.17 175.43 2f5m s ARG 85 N 1.19 0.18 -0.15 8.23 1.81 -0.57 -2.06 118.95 127.58 2f5m s ARG 85 Ca 0.19 -0.36 -0.09 0.00 -1.72 0.00 0.00 55.73 53.75 2f5m s ARG 85 Cb -0.15 0.07 -0.05 0.00 -0.45 0.00 0.00 34.95 34.37 2f5m s ARG 85 CO 0.07 -0.03 0.17 -1.50 -0.68 0.00 0.00 175.30 173.33 2f5m s ILE 86 N -0.85 5.42 -0.18 1.52 2.07 -0.31 -0.78 121.20 128.09 2f5m s ILE 86 Ca -0.09 0.28 -0.02 0.00 -1.41 0.00 0.00 60.65 59.40 2f5m s ILE 86 Cb -0.06 -3.47 -0.01 0.00 0.13 0.00 0.00 42.46 39.05 2f5m s ILE 86 CO -0.01 0.52 -0.09 -0.76 -1.91 0.00 0.00 174.94 172.69 2f5m s LEU 87 N -0.31 2.75 -0.03 8.50 2.01 0.75 -1.45 118.68 130.91 2f5m s LEU 87 Ca 0.13 -0.38 0.03 0.00 0.01 0.00 0.00 54.13 53.91 2f5m s LEU 87 Cb -0.12 -1.66 0.00 0.00 0.01 0.00 0.00 46.19 44.42 2f5m s LEU 87 CO 0.02 0.06 -0.10 -0.72 1.01 0.00 0.00 176.35 176.63 2f5m s TYR 88 N 0.98 1.00 0.52 0.29 1.13 -0.54 -0.27 117.35 120.46 2f5m s TYR 88 Ca -0.01 -0.25 0.00 0.00 -1.41 0.00 0.00 57.07 55.41 2f5m s TYR 88 Cb -0.15 -0.70 0.02 0.00 -1.10 0.00 0.00 41.96 40.03 2f5m s TYR 88 CO -0.01 -0.10 0.74 -1.54 -2.51 0.00 0.00 175.55 172.14 2f5m s SER 89 N 0.14 5.50 0.24 -0.18 1.04 -0.75 -0.80 113.70 118.89 2f5m s SER 89 Ca -0.02 0.15 0.24 0.00 0.48 0.00 0.00 55.95 56.79 2f5m s SER 89 Cb -0.08 -1.17 0.94 0.00 0.10 0.00 0.00 66.02 65.81 2f5m s SER 89 CO 0.00 -0.98 1.72 -1.54 0.98 0.00 0.00 173.24 173.43 2f5m n SER 90 N -2.26 0.66 -1.48 7.02 3.41 -0.82 -1.30 113.62 118.85 2f5m n SER 90 Ca 0.05 0.64 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 2f5m n SER 90 Cb 0.59 -0.79 0.34 0.00 -0.26 0.00 0.00 64.21 64.09 2f5m n SER 90 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2f5m n ASP 91 N -2.21 4.66 -1.10 4.04 5.75 -1.26 -4.96 116.55 121.47 2f5m n ASP 91 Ca 0.03 -2.53 -0.08 0.00 -0.01 0.00 0.00 54.79 52.20 2f5m n ASP 91 Cb 0.26 -0.56 0.01 0.00 -1.03 0.00 0.00 41.12 39.80 2f5m n ASP 91 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2f5m n TRP 92 N 0.86 -0.56 -2.25 2.11 7.02 -0.42 -5.02 117.44 119.17 2f5m n TRP 92 Ca 0.25 0.10 -0.42 0.00 -1.02 0.00 0.00 57.50 56.41 2f5m n TRP 92 Cb 0.89 -2.23 -0.03 0.00 -2.42 0.00 0.00 31.31 27.52 2f5m n TRP 92 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2f5m s LEU 93 N -2.56 4.38 -0.15 -0.99 1.02 -1.26 -4.86 118.68 114.26 2f5m s LEU 93 Ca 0.06 2.25 0.01 0.00 0.02 0.00 0.00 54.13 56.47 2f5m s LEU 93 Cb -0.03 -3.59 0.02 0.00 0.02 0.00 0.00 46.19 42.61 2f5m s LEU 93 CO 0.07 -0.57 -0.16 -0.63 0.02 0.00 0.00 176.35 175.08 2f5m s ILE 94 N 0.87 1.71 0.21 -0.59 -1.09 -0.91 -1.80 121.20 119.61 2f5m s ILE 94 Ca 0.61 -0.73 0.11 0.00 -2.23 0.00 0.00 60.65 58.41 2f5m s ILE 94 Cb -0.35 -1.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.91 2f5m s ILE 94 CO 0.32 0.48 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.99 2f5m s TYR 95 N 1.31 2.34 0.12 3.97 1.51 0.63 -0.58 117.35 126.65 2f5m s TYR 95 Ca 0.02 -0.33 0.08 0.00 -1.01 0.00 0.00 57.07 55.83 2f5m s TYR 95 Cb -0.13 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 2f5m s TYR 95 CO -0.09 0.56 -0.20 -1.59 -1.11 0.00 0.00 175.55 173.11 2f5m s LYS 96 N -2.91 1.16 0.02 -0.62 -2.85 -0.12 -0.18 119.74 114.23 2f5m s LYS 96 Ca 0.24 -1.22 0.02 0.00 -1.00 0.00 0.00 55.97 54.01 2f5m s LYS 96 Cb -0.07 -1.36 -0.01 0.00 -2.06 0.00 0.00 37.83 34.32 2f5m s LYS 96 CO 0.12 0.31 -0.07 -0.08 0.10 0.00 0.00 175.35 175.72 2f5m s THR 97 N -1.39 0.53 -0.06 3.79 -1.32 0.04 -2.15 115.64 115.09 2f5m s THR 97 Ca 0.09 -0.61 0.09 0.00 -1.21 0.00 0.00 61.69 60.05 2f5m s THR 97 Cb -0.09 -0.51 0.14 0.00 -1.51 0.00 0.00 72.50 70.53 2f5m s THR 97 CO 0.05 -0.07 1.07 0.35 -2.21 0.00 0.00 174.62 173.81 2f5m n THR 98 N 2.31 1.43 -2.66 5.08 -2.24 -1.26 -1.52 114.28 115.42 2f5m n THR 98 Ca -0.17 -1.62 -0.02 0.00 -2.27 0.00 0.00 64.05 59.97 2f5m n THR 98 Cb 0.57 0.14 0.05 0.00 -2.10 0.00 0.00 70.33 68.98 2f5m n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2f5m n ASP 99 N -0.96 1.93 -3.46 3.42 5.68 -1.19 -4.62 116.55 117.35 2f5m n ASP 99 Ca 0.08 -2.28 -0.18 0.00 -0.50 0.00 0.00 54.79 51.91 2f5m n ASP 99 Cb 0.44 -0.44 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 2f5m n ASP 99 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2f5m n HIS 100 N -0.48 -2.17 -1.91 2.11 8.25 -1.08 -3.27 115.22 116.67 2f5m n HIS 100 Ca 0.12 0.92 -0.16 0.00 -0.26 0.00 0.00 57.72 58.34 2f5m n HIS 100 Cb 0.87 -4.92 -0.03 0.00 1.12 0.00 0.00 29.99 27.02 2f5m n HIS 100 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2f5m n TYR 101 N -4.10 -0.41 -0.01 4.41 4.01 -1.26 -4.90 117.16 114.90 2f5m n TYR 101 Ca -0.28 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.25 2f5m n TYR 101 Cb 0.67 -3.02 -0.13 0.00 -0.31 0.00 0.00 39.34 36.55 2f5m n TYR 101 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2f5m h GLN 102 N 0.00 0.20 -6.17 -0.72 4.20 -1.97 -3.47 115.11 107.17 2f5m h GLN 102 Ca -0.35 -0.34 -0.64 0.00 0.06 0.00 0.00 58.65 57.38 2f5m h GLN 102 Cb 1.16 0.13 -0.30 0.00 0.30 0.00 0.00 27.48 28.77 2f5m h GLN 102 CO 0.46 1.16 -0.87 0.99 -0.67 0.00 0.00 178.83 179.90 2f5m s THR 103 N -2.46 1.81 -0.02 -0.54 2.01 -1.26 -5.12 115.64 110.06 2f5m s THR 103 Ca -0.21 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 60.87 2f5m s THR 103 Cb 0.04 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 2f5m s THR 103 CO 0.74 0.51 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.65 2f5m s PHE 104 N -0.46 1.57 0.07 4.92 0.08 -1.26 -4.38 117.98 118.52 2f5m s PHE 104 Ca 0.07 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 56.80 2f5m s PHE 104 Cb -0.10 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 2f5m s PHE 104 CO -0.00 -0.08 -0.11 0.95 -0.10 0.00 0.00 175.22 175.88 2f5m s THR 105 N -0.22 0.87 0.23 0.64 -4.23 -0.91 -4.96 115.64 107.05 2f5m s THR 105 Ca 0.03 -1.34 -0.30 0.00 -1.18 0.00 0.00 61.69 58.90 2f5m s THR 105 Cb -0.08 -1.01 -0.09 0.00 1.34 0.00 0.00 72.50 72.66 2f5m s THR 105 CO 0.00 -0.38 1.10 -0.75 -0.54 0.00 0.00 174.62 174.05 2f5m s LYS 106 N -2.02 4.62 0.00 3.99 2.20 -1.26 -0.95 119.74 126.32 2f5m s LYS 106 Ca -0.02 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 2f5m s LYS 106 Cb -0.08 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 2f5m s LYS 106 CO 0.01 0.15 0.00 0.44 -0.36 0.00 0.00 175.35 175.59 2f5m n ILE 107 N 1.80 0.00 -1.31 5.43 -5.35 0.25 -4.88 119.36 115.30 2f5m n ILE 107 Ca 0.01 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2f5m n ILE 107 Cb 0.45 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 2f5m n ILE 107 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33