#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5m n ILE 2 N 0.00 0.00 -2.15 1.55 0.13 -1.26 -5.02 119.36 112.61 2f5m n ILE 2 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 2f5m n ILE 2 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 39.64 38.80 2f5m n ILE 2 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 2f5m n ASN 3 N 0.00 0.20 -4.95 9.51 2.04 -1.26 -4.79 115.26 116.01 2f5m n ASN 3 Ca 0.00 -1.85 -0.24 0.00 -0.44 0.00 0.00 54.58 52.05 2f5m n ASN 3 Cb 0.00 -0.15 -0.03 0.00 -2.53 0.00 0.00 39.78 37.08 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 5.28 0.15 5.53 -4.23 -1.26 -0.22 115.64 120.90 2f5m s THR 4 Ca 0.10 -0.77 -0.18 0.00 -1.18 0.00 0.00 61.69 59.66 2f5m s THR 4 Cb 0.12 -3.79 0.05 0.00 1.34 0.00 0.00 72.50 70.21 2f5m s THR 4 CO -0.05 -0.21 1.68 -0.26 -0.54 0.00 0.00 174.62 175.25 2f5m h PHE 5 N 1.70 -0.17 -0.12 3.99 0.04 -1.98 -0.92 116.94 119.49 2f5m h PHE 5 Ca -0.50 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.17 2f5m h PHE 5 Cb 1.21 0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.49 2f5m h PHE 5 CO 0.50 -0.14 -0.43 -0.44 -0.60 0.00 0.00 178.31 177.21 2f5m h ASP 6 N 0.00 0.59 -0.35 2.17 3.32 -1.98 -1.17 116.42 118.99 2f5m h ASP 6 Ca 0.15 -0.61 0.04 0.00 0.02 0.00 0.00 57.03 56.63 2f5m h ASP 6 Cb 0.23 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2f5m h ASP 6 CO -0.33 1.10 0.14 1.23 -1.72 0.00 0.00 179.24 179.66 2f5m h GLY 7 N 0.11 0.46 1.03 2.75 0.00 -1.97 0.55 103.07 105.99 2f5m h GLY 7 Ca -0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 2f5m h GLY 7 CO 0.09 0.05 -0.28 -2.08 0.00 0.00 0.00 176.54 174.33 2f5m h VAL 8 N 0.31 1.29 -0.54 4.60 2.07 -1.19 -1.39 116.25 121.39 2f5m h VAL 8 Ca 0.16 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.26 2f5m h VAL 8 Cb 0.11 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2f5m h VAL 8 CO -0.14 0.47 0.33 0.00 0.02 0.00 0.00 177.57 178.25 2f5m h ALA 9 N 0.76 0.69 -0.35 1.67 0.00 -0.85 0.00 119.26 121.19 2f5m h ALA 9 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2f5m h ALA 9 Cb 0.85 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2f5m h ALA 9 CO 0.07 0.04 0.13 -0.44 0.00 0.00 0.00 179.25 179.06 2f5m h ASP 10 N 0.65 0.49 -0.63 0.00 3.32 0.20 -2.60 116.42 117.85 2f5m h ASP 10 Ca 0.22 -0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.15 2f5m h ASP 10 Cb 0.02 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 2f5m h ASP 10 CO -0.09 0.53 0.33 0.22 -1.72 0.00 0.00 179.24 178.51 2f5m h TYR 11 N 0.41 0.60 -0.67 4.55 5.03 -0.96 -2.41 116.97 123.52 2f5m h TYR 11 Ca 0.11 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.39 2f5m h TYR 11 Cb 0.20 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 2f5m h TYR 11 CO -0.00 0.27 0.19 -0.07 -1.32 0.00 0.00 178.16 177.23 2f5m h LEU 12 N 0.61 0.97 -0.25 2.82 3.38 -0.86 -0.93 115.31 121.06 2f5m h LEU 12 Ca 0.29 -0.18 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 2f5m h LEU 12 Cb 0.21 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2f5m h LEU 12 CO -0.19 0.92 -0.87 1.56 0.09 0.00 0.00 178.44 179.95 2f5m h GLN 13 N 1.00 0.42 0.49 1.13 4.20 -1.05 0.12 115.11 121.42 2f5m h GLN 13 Ca 0.22 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 2f5m h GLN 13 Cb 0.31 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2f5m h GLN 13 CO -0.00 1.07 -0.23 1.15 -0.67 0.00 0.00 178.83 180.14 2f5m h THR 14 N 0.26 0.13 0.00 -0.54 2.02 -1.49 -3.40 112.91 109.90 2f5m h THR 14 Ca -0.06 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2f5m h THR 14 Cb 1.48 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2f5m h THR 14 CO 0.15 0.03 -1.00 -1.22 0.37 0.00 0.00 175.52 173.84 2f5m n TYR 15 N -5.22 0.00 -3.03 3.16 4.01 -0.36 -4.99 117.16 110.75 2f5m n TYR 15 Ca -0.09 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.45 2f5m n TYR 15 Cb 0.28 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 39.33 2f5m n TYR 15 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2f5m n HIS 16 N -1.52 -1.89 -3.50 -0.72 8.25 0.43 -4.96 115.22 111.31 2f5m n HIS 16 Ca 0.04 0.54 -0.09 0.00 -0.26 0.00 0.00 57.72 57.95 2f5m n HIS 16 Cb 0.34 -4.19 -0.02 0.00 1.12 0.00 0.00 29.99 27.24 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 -5.67 0.83 0.61 -0.41 -2.85 -1.26 -5.06 119.74 105.94 2f5m s LYS 17 Ca 0.31 -0.28 -0.17 0.00 -1.00 0.00 0.00 55.97 54.84 2f5m s LYS 17 Cb -0.14 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 35.99 2f5m s LYS 17 CO 0.39 -0.36 1.12 -0.51 0.10 0.00 0.00 175.35 176.09 2f5m s LEU 18 N -2.40 3.55 1.09 2.77 1.43 -1.26 -4.19 118.68 119.67 2f5m s LEU 18 Ca 0.04 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.09 2f5m s LEU 18 Cb -0.01 -4.56 0.20 0.00 0.03 0.00 0.00 46.19 41.84 2f5m s LEU 18 CO -0.08 -1.46 0.76 -2.65 0.23 0.00 0.00 176.35 173.15 2f5m n PRO 19 N -1.93 -1.65 0.10 1.29 -0.02 -1.26 -4.85 135.00 126.67 2f5m n PRO 19 Ca 0.11 -0.45 0.10 0.00 -2.02 0.00 0.00 63.50 61.24 2f5m n PRO 19 Cb 0.51 -2.08 0.43 0.00 -0.02 0.00 0.00 33.50 32.34 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 -3.73 0.45 -0.30 2.55 8.00 -1.26 -2.42 116.55 119.83 2f5m n ASP 20 Ca 0.05 0.63 0.10 0.00 0.71 0.00 0.00 54.79 56.28 2f5m n ASP 20 Cb 0.55 -0.72 0.46 0.00 -0.02 0.00 0.00 41.12 41.39 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 -2.02 0.91 -4.74 -2.24 6.94 -1.26 -4.84 115.26 108.01 2f5m n ASN 21 Ca 0.02 -1.57 -0.35 0.00 -0.02 0.00 0.00 54.58 52.65 2f5m n ASN 21 Cb 0.16 -0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.44 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 -1.89 3.34 0.01 -2.53 2.02 -1.02 -1.39 117.35 115.89 2f5m s TYR 22 Ca 0.30 0.27 0.03 0.00 -0.37 0.00 0.00 57.07 57.31 2f5m s TYR 22 Cb 0.15 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 2f5m s TYR 22 CO 0.24 0.46 -0.10 0.96 -1.57 0.00 0.00 175.55 175.54 2f5m s ILE 23 N -0.53 0.81 0.88 2.71 -4.36 -0.33 -4.90 121.20 115.47 2f5m s ILE 23 Ca 0.11 -0.58 -0.12 0.00 -0.26 0.00 0.00 60.65 59.79 2f5m s ILE 23 Cb -0.12 -0.71 0.12 0.00 1.25 0.00 0.00 42.46 43.00 2f5m s ILE 23 CO 0.02 0.12 1.12 0.42 0.24 0.00 0.00 174.94 176.87 2f5m s THR 24 N -0.45 2.33 0.40 8.37 -4.23 -1.18 -0.93 115.64 119.95 2f5m s THR 24 Ca 0.02 0.11 0.07 0.00 -1.18 0.00 0.00 61.69 60.71 2f5m s THR 24 Cb -0.05 -2.86 0.25 0.00 1.34 0.00 0.00 72.50 71.18 2f5m s THR 24 CO 0.00 -0.14 2.04 0.11 -0.54 0.00 0.00 174.62 176.09 2f5m h LYS 25 N -1.37 0.51 -0.01 3.99 1.57 -1.97 -0.25 116.57 119.05 2f5m h LYS 25 Ca -0.49 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2f5m h LYS 25 Cb 1.31 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 2f5m h LYS 25 CO 0.61 0.37 0.00 0.77 -0.57 0.00 0.00 179.45 180.63 2f5m h SER 26 N 0.52 0.02 -0.44 0.86 0.02 -1.99 -0.74 113.55 111.79 2f5m h SER 26 Ca 0.14 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2f5m h SER 26 Cb -0.01 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2f5m h SER 26 CO -0.03 0.25 0.24 -0.33 -1.14 0.00 0.00 176.83 175.83 2f5m h GLU 27 N -0.22 0.62 -0.66 3.45 5.08 -1.88 -2.23 114.58 118.73 2f5m h GLU 27 Ca 0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2f5m h GLU 27 Cb 0.24 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2f5m h GLU 27 CO 0.00 0.49 0.30 0.00 -1.00 0.00 0.00 179.01 178.80 2f5m h ALA 28 N 1.09 0.85 -0.17 3.43 0.00 -0.91 -2.16 119.26 121.40 2f5m h ALA 28 Ca 0.16 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2f5m h ALA 28 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2f5m h ALA 28 CO -0.02 0.44 0.02 1.96 0.00 0.00 0.00 179.25 181.64 2f5m h GLN 29 N 0.92 0.08 -0.33 0.00 4.20 -0.99 -0.06 115.11 118.93 2f5m h GLN 29 Ca 0.22 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.00 2f5m h GLN 29 Cb 0.15 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2f5m h GLN 29 CO -0.02 0.05 0.23 0.00 -0.67 0.00 0.00 178.83 178.42 2f5m h ALA 30 N 1.13 2.13 -0.01 3.87 0.00 -1.11 -1.54 119.26 123.75 2f5m h ALA 30 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2f5m h ALA 30 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2f5m h ALA 30 CO -0.12 -0.21 -0.12 1.28 0.00 0.00 0.00 179.25 180.08 2f5m n LEU 31 N -4.47 0.66 0.00 0.00 4.77 -0.71 -4.90 117.00 112.36 2f5m n LEU 31 Ca 0.04 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2f5m n LEU 31 Cb 0.31 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2f5m n LEU 31 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2f5m n GLY 32 N 1.26 1.04 3.67 -0.72 0.00 -0.58 -4.87 105.19 105.00 2f5m n GLY 32 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 2.54 -0.51 1.61 -0.00 -0.12 -4.93 118.94 115.53 2f5m s TRP 33 Ca 0.00 0.62 -0.03 0.00 -0.00 0.00 0.00 56.10 56.69 2f5m s TRP 33 Cb 0.00 -3.73 0.13 0.00 -0.00 0.00 0.00 33.47 29.87 2f5m s TRP 33 CO 0.00 -2.85 0.32 0.08 -0.00 0.00 0.00 176.95 174.50 2f5m s VAL 34 N 3.15 3.54 0.28 5.86 1.01 -1.26 -4.28 120.40 128.69 2f5m s VAL 34 Ca 0.66 -2.43 0.02 0.00 0.00 0.00 0.00 61.98 60.23 2f5m s VAL 34 Cb -0.31 -3.37 0.27 0.00 0.00 0.00 0.00 36.38 32.98 2f5m s VAL 34 CO 0.26 -0.78 1.73 0.00 0.00 0.00 0.00 175.10 176.30 2f5m h ALA 35 N 7.63 1.38 0.00 5.51 0.00 -2.00 0.94 119.26 132.73 2f5m h ALA 35 Ca -0.08 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2f5m h ALA 35 Cb 1.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2f5m h ALA 35 CO 0.72 -0.22 0.00 0.43 0.00 0.00 0.00 179.25 180.17 2f5m n SER 36 N -4.96 0.59 -0.50 0.00 7.64 -1.26 -1.79 113.62 113.34 2f5m n SER 36 Ca 0.20 0.65 0.11 0.00 1.01 0.00 0.00 58.87 60.84 2f5m n SER 36 Cb 0.56 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.15 1.34 -2.98 1.43 5.02 0.31 -4.97 118.16 116.16 2f5m n LYS 37 Ca 0.02 -1.02 -0.21 0.00 -2.02 0.00 0.00 58.31 55.07 2f5m n LYS 37 Cb 0.21 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 33.79 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 1.37 -0.51 1.58 0.72 0.00 -0.74 -4.89 105.19 102.73 2f5m n GLY 38 Ca 0.09 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.32 4.76 -0.23 1.61 2.04 -1.26 -3.81 115.26 116.04 2f5m n ASN 39 Ca -0.10 -2.44 0.02 0.00 -0.44 0.00 0.00 54.58 51.61 2f5m n ASN 39 Cb 0.61 -0.58 0.14 0.00 -2.53 0.00 0.00 39.78 37.42 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 4.08 0.34 -1.18 -4.53 6.46 -1.89 -0.39 115.31 118.21 2f5m h LEU 40 Ca 0.00 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2f5m h LEU 40 Cb 1.45 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.41 2f5m h LEU 40 CO 0.23 0.18 0.00 0.00 -0.62 0.00 0.00 178.44 178.23 2f5m h ALA 41 N 1.45 1.00 0.14 1.25 0.00 -1.84 0.12 119.26 121.38 2f5m h ALA 41 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.96 2f5m h ALA 41 Cb 0.43 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.25 2f5m h ALA 41 CO -0.31 0.00 -1.27 -0.44 0.00 0.00 0.00 179.25 177.23 2f5m h ASP 42 N 0.00 0.75 0.22 0.00 3.32 -1.43 -3.09 116.42 116.19 2f5m h ASP 42 Ca 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.32 2f5m h ASP 42 Cb 0.46 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2f5m h ASP 42 CO 0.00 1.55 -1.58 1.33 -1.72 0.00 0.00 179.24 178.82 2f5m n VAL 43 N -3.72 0.12 -3.10 -1.35 0.24 -0.98 -4.63 118.33 104.91 2f5m n VAL 43 Ca -0.13 -0.41 -0.20 0.00 -2.04 0.00 0.00 64.34 61.57 2f5m n VAL 43 Cb 1.01 0.10 -0.04 0.00 -1.47 0.00 0.00 33.84 33.44 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 -2.09 1.64 -1.68 2.33 0.00 0.40 -4.93 120.51 116.17 2f5m n ALA 44 Ca -0.02 -3.02 -0.44 0.00 0.00 0.00 0.00 53.44 49.96 2f5m n ALA 44 Cb 0.52 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 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 1.17 2.12 -0.86 0.00 -0.02 -1.17 -1.35 135.00 134.89 2f5m n PRO 45 Ca 0.19 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2f5m n PRO 45 Cb 0.58 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 1.99 1.15 3.90 -1.23 0.00 -1.26 -5.03 105.19 104.72 2f5m n GLY 46 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.05 3.64 0.07 1.61 -0.14 -0.46 -4.86 119.74 119.56 2f5m s LYS 47 Ca 0.00 -0.03 0.05 0.00 -1.36 0.00 0.00 55.97 54.63 2f5m s LYS 47 Cb 0.00 -2.73 -0.03 0.00 -1.68 0.00 0.00 37.83 33.39 2f5m s LYS 47 CO 0.00 0.33 -0.13 -1.12 -0.76 0.00 0.00 175.35 173.67 2f5m s SER 48 N -2.81 1.59 0.10 2.83 0.01 -0.49 -4.84 113.70 110.10 2f5m s SER 48 Ca 0.43 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.76 2f5m s SER 48 Cb -0.11 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.02 2f5m s SER 48 CO 0.27 -0.10 1.04 -0.63 0.41 0.00 0.00 173.24 174.22 2f5m s ILE 49 N -1.36 4.33 0.00 1.44 -1.09 -1.26 -1.18 121.20 122.08 2f5m s ILE 49 Ca -0.02 1.86 0.00 0.00 -2.23 0.00 0.00 60.65 60.25 2f5m s ILE 49 Cb -0.10 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 2f5m s ILE 49 CO 0.02 0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 2f5m n GLY 50 N 2.46 0.87 0.00 6.18 0.00 -0.11 -0.38 105.19 114.20 2f5m n GLY 50 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2f5m n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f5m n GLY 51 N -0.01 1.15 3.83 -0.02 0.00 0.28 -3.13 105.19 107.30 2f5m n GLY 51 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.99 6.82 0.25 1.61 1.01 -1.23 -4.76 116.67 118.39 2f5m s ASP 52 Ca 0.00 1.58 -0.30 0.00 0.71 0.00 0.00 52.55 54.54 2f5m s ASP 52 Cb 0.00 -2.50 -0.10 0.00 1.01 0.00 0.00 42.92 41.33 2f5m s ASP 52 CO 0.00 -0.40 1.39 -0.63 0.21 0.00 0.00 175.17 175.74 2f5m s ILE 53 N -2.27 2.78 -0.16 0.77 -1.09 -1.26 -1.05 121.20 118.92 2f5m s ILE 53 Ca 0.60 0.68 -0.03 0.00 -2.23 0.00 0.00 60.65 59.66 2f5m s ILE 53 Cb -0.09 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.33 2f5m s ILE 53 CO 0.19 0.12 -0.05 0.12 -1.23 0.00 0.00 174.94 174.08 2f5m s PHE 54 N -0.20 2.98 0.17 3.97 5.36 0.18 -4.82 117.98 125.61 2f5m s PHE 54 Ca 0.57 -0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 56.11 2f5m s PHE 54 Cb -0.40 -1.95 0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2f5m s PHE 54 CO 0.44 -0.11 1.40 0.77 -1.46 0.00 0.00 175.22 176.26 2f5m h SER 55 N 6.84 0.45 -5.81 6.13 0.02 -1.96 -3.38 113.55 115.83 2f5m h SER 55 Ca -0.31 -0.32 -0.38 0.00 -0.84 0.00 0.00 61.79 59.94 2f5m h SER 55 Cb 1.19 -0.13 0.14 0.00 0.14 0.00 0.00 62.40 63.74 2f5m h SER 55 CO 0.61 1.07 -0.72 -3.20 -1.14 0.00 0.00 176.83 173.46 2f5m n ASN 56 N -3.79 -4.83 0.25 3.07 5.15 -1.26 -4.88 115.26 108.98 2f5m n ASN 56 Ca -0.05 -0.58 0.09 0.00 -0.60 0.00 0.00 54.58 53.44 2f5m n ASN 56 Cb 0.75 -5.01 0.64 0.00 -0.53 0.00 0.00 39.78 35.63 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 -2.41 0.00 -0.64 1.20 -0.00 -2.00 -2.99 114.38 107.53 2f5m h ARG 57 Ca -0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.90 2f5m h ARG 57 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.33 2f5m h ARG 57 CO 0.54 0.08 0.00 0.39 0.00 0.00 0.00 179.97 180.98 2f5m n GLU 58 N -4.27 2.88 -1.81 0.04 1.02 -1.26 -4.92 120.64 112.32 2f5m n GLU 58 Ca -0.03 -2.37 -0.20 0.00 -0.02 0.00 0.00 57.16 54.55 2f5m n GLU 58 Cb 0.16 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 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 1.29 1.21 0.14 0.62 0.00 -1.13 -4.91 105.19 102.42 2f5m n GLY 59 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.09 -6.03 1.61 1.57 -1.91 -3.43 116.57 108.47 2f5m h LYS 60 Ca -0.42 -0.07 -0.60 0.00 -1.87 0.00 0.00 60.65 57.68 2f5m h LYS 60 Cb 1.30 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.58 2f5m h LYS 60 CO 0.58 0.71 -0.35 -0.51 -0.57 0.00 0.00 179.45 179.31 2f5m s LEU 61 N -7.66 4.33 0.26 2.94 1.43 -1.26 -4.96 118.68 113.76 2f5m s LEU 61 Ca -0.02 0.58 -0.31 0.00 -1.03 0.00 0.00 54.13 53.35 2f5m s LEU 61 Cb 0.12 -2.97 -0.12 0.00 0.03 0.00 0.00 46.19 43.25 2f5m s LEU 61 CO 0.78 0.16 1.59 -0.81 0.23 0.00 0.00 176.35 178.30 2f5m n PRO 62 N 0.65 2.57 -4.27 1.29 -0.04 -1.26 -4.97 135.00 128.97 2f5m n PRO 62 Ca -0.07 0.92 -0.32 0.00 -0.04 0.00 0.00 63.50 63.98 2f5m n PRO 62 Cb 0.52 -2.69 -0.09 0.00 -0.04 0.00 0.00 33.50 31.20 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 0.62 1.88 -0.11 0.55 0.00 -1.26 -5.10 107.32 103.90 2f5m s GLY 63 Ca 0.68 -0.96 -0.21 0.00 0.00 0.00 0.00 44.72 44.23 2f5m s GLY 63 CO 0.45 -0.83 0.51 1.25 0.00 0.00 0.00 173.10 174.47 2f5m s LYS 64 N -1.60 0.75 0.13 2.90 2.20 -1.26 -5.08 119.74 117.77 2f5m s LYS 64 Ca 0.20 0.37 -0.33 0.00 -0.36 0.00 0.00 55.97 55.85 2f5m s LYS 64 Cb -0.12 0.35 -0.13 0.00 -1.51 0.00 0.00 37.83 36.43 2f5m s LYS 64 CO 0.11 -0.17 1.70 -1.13 -0.36 0.00 0.00 175.35 175.50 2f5m n SER 65 N 1.91 3.51 0.00 1.43 3.41 -1.26 -1.11 113.62 121.51 2f5m n SER 65 Ca -0.17 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 2f5m n SER 65 Cb 0.56 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 3.83 0.79 3.62 5.00 0.00 -1.26 -5.03 105.19 112.14 2f5m n GLY 66 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.24 4.04 0.03 1.61 3.52 -0.27 -4.96 118.95 122.69 2f5m s ARG 67 Ca 0.00 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.65 2f5m s ARG 67 Cb 0.00 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2f5m s ARG 67 CO 0.00 -0.22 -0.03 0.95 -0.81 0.00 0.00 175.30 175.20 2f5m s THR 68 N 1.88 3.91 -0.06 4.11 -4.23 -1.26 -4.74 115.64 115.26 2f5m s THR 68 Ca 0.15 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 2f5m s THR 68 Cb -0.16 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 2f5m s THR 68 CO 0.09 0.30 -0.08 0.26 -0.54 0.00 0.00 174.62 174.65 2f5m s TRP 69 N -1.13 2.90 0.25 3.99 0.52 -1.26 -1.36 118.94 122.86 2f5m s TRP 69 Ca 0.21 -0.00 0.07 0.00 0.02 0.00 0.00 56.10 56.39 2f5m s TRP 69 Cb -0.11 -1.69 -0.05 0.00 -1.15 0.00 0.00 33.47 30.46 2f5m s TRP 69 CO 0.12 0.32 -0.10 1.03 0.02 0.00 0.00 176.95 178.34 2f5m s ARG 70 N -0.88 1.48 0.21 4.98 0.52 0.03 -0.64 118.95 124.65 2f5m s ARG 70 Ca 0.13 -1.72 0.05 0.00 -0.52 0.00 0.00 55.73 53.68 2f5m s ARG 70 Cb -0.11 -1.18 -0.05 0.00 0.52 0.00 0.00 34.95 34.13 2f5m s ARG 70 CO 0.02 0.11 -0.07 -1.83 0.02 0.00 0.00 175.30 173.55 2f5m s GLU 71 N -3.69 1.31 -0.08 3.54 -1.05 -0.22 -1.02 118.70 117.49 2f5m s GLU 71 Ca 0.27 -1.62 -0.12 0.00 -0.15 0.00 0.00 54.97 53.35 2f5m s GLU 71 Cb 0.02 -0.83 0.03 0.00 -0.44 0.00 0.00 34.13 32.91 2f5m s GLU 71 CO 0.10 0.03 0.29 0.00 0.95 0.00 0.00 175.26 176.64 2f5m s ALA 72 N -3.23 -0.73 0.37 -0.84 0.00 -0.49 -0.55 121.76 116.28 2f5m s ALA 72 Ca 0.24 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 2f5m s ALA 72 Cb 0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 2f5m s ALA 72 CO 0.07 -0.18 1.13 -0.51 0.00 0.00 0.00 175.76 176.26 2f5m s ASP 73 N -0.35 6.77 0.04 0.00 1.11 0.49 -0.48 116.67 124.25 2f5m s ASP 73 Ca -0.05 2.26 0.08 0.00 0.18 0.00 0.00 52.55 55.02 2f5m s ASP 73 Cb -0.03 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 2f5m s ASP 73 CO 0.02 -0.49 -0.22 -0.63 1.18 0.00 0.00 175.17 175.02 2f5m s ILE 74 N -1.40 1.77 -1.33 0.77 -1.09 -0.94 -4.72 121.20 114.25 2f5m s ILE 74 Ca 0.54 -1.21 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 2f5m s ILE 74 Cb -0.29 -1.53 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 2f5m s ILE 74 CO 0.37 0.27 0.00 0.59 -1.23 0.00 0.00 174.94 174.94 2f5m n ASN 75 N 1.91 -5.20 -4.73 3.58 3.02 0.70 -4.60 115.26 109.94 2f5m n ASN 75 Ca -0.17 0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 54.28 2f5m n ASN 75 Cb 0.53 -3.80 -0.04 0.00 -0.61 0.00 0.00 39.78 35.86 2f5m n ASN 75 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2f5m s TYR 76 N -2.24 3.50 0.10 3.10 5.04 -1.26 -4.91 117.35 120.68 2f5m s TYR 76 Ca 0.00 1.48 -0.00 0.00 -2.44 0.00 0.00 57.07 56.11 2f5m s TYR 76 Cb 0.00 -3.36 -0.00 0.00 0.35 0.00 0.00 41.96 38.95 2f5m s TYR 76 CO 0.00 -0.96 -0.00 2.41 -1.34 0.00 0.00 175.55 175.66 2f5m n THR 77 N 2.68 1.22 -3.71 4.34 -1.04 -1.26 -4.96 114.28 111.56 2f5m n THR 77 Ca 0.04 0.40 -0.10 0.00 -2.04 0.00 0.00 64.05 62.36 2f5m n THR 77 Cb 0.46 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 2f5m n THR 77 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2f5m s SER 78 N -5.99 -0.30 0.00 8.00 1.04 -1.26 -4.75 113.70 110.44 2f5m s SER 78 Ca -0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2f5m s SER 78 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2f5m s SER 78 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2f5m n GLY 79 N -0.36 -1.59 3.74 7.32 0.00 -1.25 -4.90 105.19 108.15 2f5m n GLY 79 Ca -0.10 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 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 2.20 0.52 1.61 0.08 -1.25 -4.45 117.98 116.69 2f5m s PHE 80 Ca 0.00 1.56 -0.22 0.00 0.12 0.00 0.00 56.93 58.39 2f5m s PHE 80 Cb 0.00 -3.46 -0.06 0.00 -0.57 0.00 0.00 43.02 38.93 2f5m s PHE 80 CO 0.00 -2.44 1.27 1.03 -0.10 0.00 0.00 175.22 174.99 2f5m s ARG 81 N -3.73 3.35 0.00 0.44 0.52 -1.26 -5.00 118.95 113.26 2f5m s ARG 81 Ca 0.75 2.03 0.00 0.00 -0.52 0.00 0.00 55.73 57.99 2f5m s ARG 81 Cb -0.29 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 32.90 2f5m s ARG 81 CO 0.41 -0.96 0.00 0.27 0.02 0.00 0.00 175.30 175.04 2f5m n ASN 82 N -0.88 0.00 -0.92 0.23 2.04 -1.26 -5.02 115.26 109.45 2f5m n ASN 82 Ca 0.10 -0.05 0.11 0.00 -0.44 0.00 0.00 54.58 54.30 2f5m n ASN 82 Cb 0.46 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.82 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 -0.15 2.92 -4.67 0.53 3.41 -1.26 -4.94 113.62 109.46 2f5m n SER 83 Ca 0.00 -1.94 -0.39 0.00 -0.26 0.00 0.00 58.87 56.28 2f5m n SER 83 Cb 0.00 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.82 6.60 0.01 4.04 1.01 -1.26 -1.99 116.67 123.26 2f5m s ASP 84 Ca 0.27 0.72 0.00 0.00 0.71 0.00 0.00 52.55 54.26 2f5m s ASP 84 Cb 0.19 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 2f5m s ASP 84 CO 0.28 -0.17 -0.02 -0.13 0.21 0.00 0.00 175.17 175.35 2f5m s ARG 85 N 1.52 0.15 -0.12 8.23 1.81 -0.32 -2.20 118.95 128.01 2f5m s ARG 85 Ca 0.25 -0.27 -0.06 0.00 -1.72 0.00 0.00 55.73 53.93 2f5m s ARG 85 Cb -0.15 0.03 -0.04 0.00 -0.45 0.00 0.00 34.95 34.34 2f5m s ARG 85 CO 0.10 -0.02 0.11 -1.50 -0.68 0.00 0.00 175.30 173.31 2f5m s ILE 86 N -0.64 5.21 -0.12 1.52 2.07 0.37 -1.30 121.20 128.31 2f5m s ILE 86 Ca -0.07 0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.28 2f5m s ILE 86 Cb -0.04 -3.27 -0.01 0.00 0.13 0.00 0.00 42.46 39.27 2f5m s ILE 86 CO -0.00 0.60 -0.17 -0.76 -1.91 0.00 0.00 174.94 172.69 2f5m s LEU 87 N -0.84 2.47 -0.02 8.50 2.01 0.13 -1.40 118.68 129.53 2f5m s LEU 87 Ca 0.14 -0.43 0.01 0.00 0.01 0.00 0.00 54.13 53.85 2f5m s LEU 87 Cb -0.12 -1.54 0.02 0.00 0.01 0.00 0.00 46.19 44.57 2f5m s LEU 87 CO 0.03 0.15 -0.01 -0.72 1.01 0.00 0.00 176.35 176.82 2f5m s TYR 88 N 0.42 0.29 0.50 0.29 1.13 -0.19 -0.12 117.35 119.67 2f5m s TYR 88 Ca -0.13 -0.01 -0.02 0.00 -1.41 0.00 0.00 57.07 55.50 2f5m s TYR 88 Cb -0.17 -0.34 0.00 0.00 -1.10 0.00 0.00 41.96 40.35 2f5m s TYR 88 CO 0.06 -0.10 0.76 -1.54 -2.51 0.00 0.00 175.55 172.22 2f5m s SER 89 N 0.76 5.74 0.43 -0.18 1.04 -0.53 -0.79 113.70 120.17 2f5m s SER 89 Ca -0.07 0.45 0.30 0.00 0.48 0.00 0.00 55.95 57.11 2f5m s SER 89 Cb -0.11 -1.60 1.47 0.00 0.10 0.00 0.00 66.02 65.89 2f5m s SER 89 CO -0.01 -0.84 1.90 0.77 0.98 0.00 0.00 173.24 176.04 2f5m h SER 90 N 0.18 0.00 -0.33 7.02 4.64 -1.57 -0.47 113.55 123.02 2f5m h SER 90 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2f5m h SER 90 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2f5m h SER 90 CO 0.58 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 2f5m n ASP 91 N -2.59 4.21 -1.49 4.97 5.75 -1.26 -4.99 116.55 121.14 2f5m n ASP 91 Ca -0.01 -2.96 -0.12 0.00 -0.01 0.00 0.00 54.79 51.69 2f5m n ASP 91 Cb 0.13 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 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 -0.24 -0.74 -2.25 2.11 7.02 -0.18 -5.01 117.44 118.14 2f5m n TRP 92 Ca 0.22 0.10 -0.41 0.00 -1.02 0.00 0.00 57.50 56.39 2f5m n TRP 92 Cb 0.93 -2.78 -0.03 0.00 -2.42 0.00 0.00 31.31 27.02 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 -3.58 4.43 -0.11 -0.99 1.02 -1.26 -4.88 118.68 113.30 2f5m s LEU 93 Ca 0.06 2.37 0.02 0.00 0.02 0.00 0.00 54.13 56.60 2f5m s LEU 93 Cb -0.02 -3.61 0.01 0.00 0.02 0.00 0.00 46.19 42.59 2f5m s LEU 93 CO 0.07 -0.48 -0.17 -0.63 0.02 0.00 0.00 176.35 175.16 2f5m s ILE 94 N -0.01 1.63 0.23 -0.59 -1.09 -0.77 -1.46 121.20 119.14 2f5m s ILE 94 Ca 0.55 -0.73 0.11 0.00 -2.23 0.00 0.00 60.65 58.36 2f5m s ILE 94 Cb -0.36 -1.47 -0.05 0.00 -1.58 0.00 0.00 42.46 39.00 2f5m s ILE 94 CO 0.39 0.47 -0.22 -0.31 -1.23 0.00 0.00 174.94 174.03 2f5m s TYR 95 N 0.92 2.26 0.16 3.97 1.51 0.83 -0.92 117.35 126.08 2f5m s TYR 95 Ca -0.07 -0.36 0.09 0.00 -1.01 0.00 0.00 57.07 55.72 2f5m s TYR 95 Cb -0.15 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2f5m s TYR 95 CO -0.01 0.58 -0.21 -1.59 -1.11 0.00 0.00 175.55 173.21 2f5m s LYS 96 N -3.04 1.32 0.02 -0.62 -2.85 0.71 0.21 119.74 115.50 2f5m s LYS 96 Ca 0.24 -1.40 0.01 0.00 -1.00 0.00 0.00 55.97 53.82 2f5m s LYS 96 Cb -0.06 -1.50 -0.02 0.00 -2.06 0.00 0.00 37.83 34.19 2f5m s LYS 96 CO 0.12 0.32 -0.06 -0.08 0.10 0.00 0.00 175.35 175.75 2f5m s THR 97 N -1.78 0.39 0.00 3.79 -1.32 -0.42 -0.79 115.64 115.51 2f5m s THR 97 Ca 0.16 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 2f5m s THR 97 Cb -0.07 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 2f5m s THR 97 CO 0.07 -0.23 0.83 0.35 -2.21 0.00 0.00 174.62 173.44 2f5m n THR 98 N 2.05 0.69 -2.53 5.08 -2.24 -1.26 -1.17 114.28 114.89 2f5m n THR 98 Ca -0.19 -0.73 -0.05 0.00 -2.27 0.00 0.00 64.05 60.81 2f5m n THR 98 Cb 0.56 0.68 0.05 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.34 2.29 -3.21 3.42 5.68 -1.17 -4.55 116.55 118.66 2f5m n ASP 99 Ca 0.00 -2.53 -0.15 0.00 -0.50 0.00 0.00 54.79 51.61 2f5m n ASP 99 Cb 0.28 -0.43 0.08 0.00 -1.14 0.00 0.00 41.12 39.92 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 -0.51 -2.06 -2.01 2.11 8.25 -0.84 -2.63 115.22 117.53 2f5m n HIS 100 Ca 0.16 0.85 -0.19 0.00 -0.26 0.00 0.00 57.72 58.29 2f5m n HIS 100 Cb 0.88 -4.70 -0.04 0.00 1.12 0.00 0.00 29.99 27.25 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 -3.74 -0.51 0.04 4.41 4.02 -1.26 -4.92 117.16 115.20 2f5m n TYR 101 Ca -0.23 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.45 2f5m n TYR 101 Cb 0.65 -3.44 -0.14 0.00 -0.02 0.00 0.00 39.34 36.38 2f5m n TYR 101 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 2f5m h GLN 102 N 0.00 0.30 -5.50 -0.72 4.20 -1.91 -3.47 115.11 108.00 2f5m h GLN 102 Ca -0.42 -0.50 -0.44 0.00 0.06 0.00 0.00 58.65 57.35 2f5m h GLN 102 Cb 1.28 0.19 -0.14 0.00 0.30 0.00 0.00 27.48 29.10 2f5m h GLN 102 CO 0.54 1.24 -0.72 0.95 -0.67 0.00 0.00 178.83 180.16 2f5m s THR 103 N -2.46 1.66 0.04 -0.54 -4.23 -1.26 -5.11 115.64 103.74 2f5m s THR 103 Ca -0.16 -2.19 0.03 0.00 -1.18 0.00 0.00 61.69 58.20 2f5m s THR 103 Cb 0.03 -2.08 -0.02 0.00 1.34 0.00 0.00 72.50 71.77 2f5m s THR 103 CO 0.81 -0.57 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.86 2f5m s PHE 104 N -3.02 0.87 -0.08 3.99 0.40 -1.26 -4.46 117.98 114.42 2f5m s PHE 104 Ca 0.23 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 2f5m s PHE 104 Cb 0.00 -0.51 0.01 0.00 0.51 0.00 0.00 43.02 43.03 2f5m s PHE 104 CO 0.07 -0.02 -0.15 0.99 0.70 0.00 0.00 175.22 176.81 2f5m s THR 105 N -1.15 1.38 0.13 0.64 2.01 0.03 -4.94 115.64 113.74 2f5m s THR 105 Ca -0.05 -0.61 -0.31 0.00 0.31 0.00 0.00 61.69 61.03 2f5m s THR 105 Cb -0.09 -1.24 -0.08 0.00 0.01 0.00 0.00 72.50 71.10 2f5m s THR 105 CO 0.01 0.41 1.39 -0.75 -0.69 0.00 0.00 174.62 174.99 2f5m s LYS 106 N 0.67 4.32 0.00 4.92 2.20 -1.26 -0.20 119.74 130.39 2f5m s LYS 106 Ca -0.14 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 2f5m s LYS 106 Cb -0.16 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2f5m s LYS 106 CO 0.04 -0.42 0.00 0.44 -0.36 0.00 0.00 175.35 175.04 2f5m n ILE 107 N 3.73 0.00 -1.37 5.43 -5.35 -0.10 -4.91 119.36 116.79 2f5m n ILE 107 Ca 0.11 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2f5m n ILE 107 Cb 0.42 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 2f5m n ILE 107 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33