#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 4.05 0.00 1.55 1.01 -1.26 -4.88 121.20 121.66 2f5m s ILE 2 Ca 0.00 -1.21 0.09 0.00 0.00 0.00 0.00 60.65 59.54 2f5m s ILE 2 Cb 0.00 -3.36 0.15 0.00 0.01 0.00 0.00 42.46 39.26 2f5m s ILE 2 CO 0.00 -0.31 1.00 -0.46 0.00 0.00 0.00 174.94 175.17 2f5m n ASN 3 N 4.87 -0.08 -4.80 3.58 2.04 -1.26 -4.79 115.26 114.81 2f5m n ASN 3 Ca -0.11 -1.88 -0.22 0.00 -0.44 0.00 0.00 54.58 51.92 2f5m n ASN 3 Cb 0.44 0.01 -0.05 0.00 -2.53 0.00 0.00 39.78 37.65 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 4.34 0.17 5.53 -4.23 -1.26 -0.84 115.64 119.35 2f5m s THR 4 Ca 0.12 -1.43 -0.15 0.00 -1.18 0.00 0.00 61.69 59.04 2f5m s THR 4 Cb 0.14 -3.33 0.07 0.00 1.34 0.00 0.00 72.50 70.72 2f5m s THR 4 CO -0.06 -0.33 1.71 -0.26 -0.54 0.00 0.00 174.62 175.13 2f5m h PHE 5 N 1.62 0.03 -0.07 3.99 0.04 -1.98 -0.75 116.94 119.82 2f5m h PHE 5 Ca -0.48 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.20 2f5m h PHE 5 Cb 1.24 0.05 0.01 0.00 2.20 0.00 0.00 35.95 39.44 2f5m h PHE 5 CO 0.57 -0.05 -0.42 -0.44 -0.60 0.00 0.00 178.31 177.37 2f5m h ASP 6 N 0.14 0.50 -0.58 2.17 3.32 -1.98 -1.38 116.42 118.60 2f5m h ASP 6 Ca 0.20 -0.66 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 2f5m h ASP 6 Cb 0.28 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2f5m h ASP 6 CO -0.31 1.07 0.29 1.23 -1.72 0.00 0.00 179.24 179.80 2f5m h GLY 7 N -0.05 0.89 1.26 2.75 0.00 -1.95 -1.41 103.07 104.57 2f5m h GLY 7 Ca -0.03 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 46.71 2f5m h GLY 7 CO 0.09 0.41 -0.45 -2.08 0.00 0.00 0.00 176.54 174.51 2f5m h VAL 8 N 0.79 1.28 -0.47 4.60 2.07 -1.18 -1.92 116.25 121.42 2f5m h VAL 8 Ca 0.20 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 2f5m h VAL 8 Cb 0.10 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2f5m h VAL 8 CO -0.03 0.53 0.23 0.00 0.02 0.00 0.00 177.57 178.33 2f5m h ALA 9 N 0.85 0.60 -0.48 1.67 0.00 -1.06 -0.64 119.26 120.21 2f5m h ALA 9 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2f5m h ALA 9 Cb 1.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2f5m h ALA 9 CO 0.10 0.15 -0.04 -0.44 0.00 0.00 0.00 179.25 179.02 2f5m h ASP 10 N 0.61 0.86 -0.57 0.00 3.32 -1.24 -2.44 116.42 116.96 2f5m h ASP 10 Ca 0.16 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.91 2f5m h ASP 10 Cb 0.10 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2f5m h ASP 10 CO -0.02 0.98 0.36 0.22 -1.72 0.00 0.00 179.24 179.06 2f5m h TYR 11 N 0.72 0.68 -0.05 4.55 5.03 -1.13 -2.62 116.97 124.14 2f5m h TYR 11 Ca 0.13 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.46 2f5m h TYR 11 Cb 0.56 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 2f5m h TYR 11 CO 0.04 0.40 0.03 -0.07 -1.32 0.00 0.00 178.16 177.24 2f5m h LEU 12 N 0.72 0.07 -1.77 2.82 3.38 -1.03 0.34 115.31 119.83 2f5m h LEU 12 Ca 0.22 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2f5m h LEU 12 Cb -0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2f5m h LEU 12 CO -0.08 0.15 -0.15 1.56 0.09 0.00 0.00 178.44 180.01 2f5m h GLN 13 N -0.02 0.00 0.00 1.13 4.20 -1.35 0.91 115.11 119.98 2f5m h GLN 13 Ca 0.02 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.46 2f5m h GLN 13 Cb 0.10 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2f5m h GLN 13 CO -0.00 0.15 -1.62 2.41 -0.67 0.00 0.00 178.83 179.10 2f5m n THR 14 N -3.68 1.52 0.61 -0.54 -1.04 -0.99 -4.63 114.28 105.52 2f5m n THR 14 Ca -0.02 -0.11 0.11 0.00 -2.04 0.00 0.00 64.05 61.99 2f5m n THR 14 Cb 0.27 -2.05 -0.05 0.00 -1.82 0.00 0.00 70.33 66.68 2f5m n THR 14 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2f5m n TYR 15 N -4.39 0.12 -2.61 -1.42 4.01 0.12 -4.98 117.16 108.02 2f5m n TYR 15 Ca -0.36 0.04 -0.17 0.00 -0.16 0.00 0.00 57.90 57.25 2f5m n TYR 15 Cb 0.69 -0.31 0.01 0.00 -0.31 0.00 0.00 39.34 39.43 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 -1.86 -1.18 -3.56 -0.72 8.25 0.31 -4.98 115.22 111.48 2f5m n HIS 16 Ca 0.02 0.23 -0.09 0.00 -0.26 0.00 0.00 57.72 57.61 2f5m n HIS 16 Cb 0.42 -3.51 -0.02 0.00 1.12 0.00 0.00 29.99 28.00 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 -5.15 1.30 0.59 -0.41 -2.85 -1.26 -5.05 119.74 106.91 2f5m s LYS 17 Ca 0.13 -0.57 -0.16 0.00 -1.00 0.00 0.00 55.97 54.37 2f5m s LYS 17 Cb -0.06 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.21 2f5m s LYS 17 CO 0.16 -0.58 1.07 -0.51 0.10 0.00 0.00 175.35 175.59 2f5m s LEU 18 N -2.75 3.53 0.95 2.77 1.43 -1.26 -4.19 118.68 119.15 2f5m s LEU 18 Ca 0.05 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 2f5m s LEU 18 Cb -0.02 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.78 2f5m s LEU 18 CO -0.06 -1.20 0.87 -2.65 0.23 0.00 0.00 176.35 173.54 2f5m n PRO 19 N -1.94 -0.55 0.10 1.29 -0.02 -1.26 -4.90 135.00 127.71 2f5m n PRO 19 Ca 0.09 -0.10 0.09 0.00 -2.02 0.00 0.00 63.50 61.56 2f5m n PRO 19 Cb 0.53 -2.18 0.41 0.00 -0.02 0.00 0.00 33.50 32.24 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 -3.29 0.42 -0.12 2.55 8.00 -1.26 -2.43 116.55 120.42 2f5m n ASP 20 Ca 0.10 0.64 0.01 0.00 0.71 0.00 0.00 54.79 56.24 2f5m n ASP 20 Cb 0.53 -0.71 0.03 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.00 0.35 -4.63 -2.24 6.94 -1.26 -4.85 115.26 107.57 2f5m n ASN 21 Ca 0.01 -2.00 -0.33 0.00 -0.02 0.00 0.00 54.58 52.24 2f5m n ASN 21 Cb 0.13 -0.05 -0.10 0.00 -2.36 0.00 0.00 39.78 37.39 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 -1.90 3.00 0.02 -2.53 2.02 -1.02 -0.48 117.35 116.47 2f5m s TYR 22 Ca 0.04 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2f5m s TYR 22 Cb 0.02 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 2f5m s TYR 22 CO 0.03 0.40 -0.04 0.96 -1.57 0.00 0.00 175.55 175.33 2f5m s ILE 23 N -0.95 0.22 0.78 2.71 -4.36 -0.11 -4.90 121.20 114.58 2f5m s ILE 23 Ca 0.16 -0.83 -0.12 0.00 -0.26 0.00 0.00 60.65 59.60 2f5m s ILE 23 Cb -0.11 -0.33 0.06 0.00 1.25 0.00 0.00 42.46 43.33 2f5m s ILE 23 CO 0.06 -0.40 1.12 0.42 0.24 0.00 0.00 174.94 176.38 2f5m s THR 24 N -1.24 2.90 0.40 8.37 -4.23 -1.21 -1.12 115.64 119.51 2f5m s THR 24 Ca -0.12 0.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 2f5m s THR 24 Cb -0.09 -3.18 0.28 0.00 1.34 0.00 0.00 72.50 70.86 2f5m s THR 24 CO -0.01 -0.38 2.02 0.11 -0.54 0.00 0.00 174.62 175.82 2f5m h LYS 25 N -0.97 0.58 -0.08 3.99 1.57 -1.97 0.22 116.57 119.91 2f5m h LYS 25 Ca -0.46 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.08 2f5m h LYS 25 Cb 1.28 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2f5m h LYS 25 CO 0.62 0.38 -0.79 0.66 -0.57 0.00 0.00 179.45 179.76 2f5m h SER 26 N 0.60 0.60 -0.25 0.86 4.64 -1.99 -0.06 113.55 117.95 2f5m h SER 26 Ca 0.22 -0.41 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2f5m h SER 26 Cb 0.13 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2f5m h SER 26 CO -0.06 1.18 0.15 -0.33 -0.87 0.00 0.00 176.83 176.90 2f5m h GLU 27 N 0.33 0.33 -0.42 4.77 5.08 -1.85 -1.43 114.58 121.39 2f5m h GLU 27 Ca -0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2f5m h GLU 27 Cb 1.39 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 2f5m h GLU 27 CO 0.14 0.26 0.22 0.00 -1.00 0.00 0.00 179.01 178.64 2f5m h ALA 28 N 1.05 0.54 -0.42 3.43 0.00 -0.83 -2.66 119.26 120.37 2f5m h ALA 28 Ca 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2f5m h ALA 28 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2f5m h ALA 28 CO -0.02 0.07 0.14 1.96 0.00 0.00 0.00 179.25 181.40 2f5m h GLN 29 N 0.54 0.60 0.00 0.00 4.20 -0.76 -0.70 115.11 118.98 2f5m h GLN 29 Ca 0.15 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2f5m h GLN 29 Cb 0.07 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 2f5m h GLN 29 CO -0.02 0.52 -0.01 0.00 -0.67 0.00 0.00 178.83 178.65 2f5m h ALA 30 N 1.56 1.01 -0.01 3.87 0.00 -0.92 -1.62 119.26 123.15 2f5m h ALA 30 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2f5m h ALA 30 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2f5m h ALA 30 CO -0.01 0.01 -0.25 1.28 0.00 0.00 0.00 179.25 180.29 2f5m n LEU 31 N -3.12 1.33 0.00 0.00 4.77 -0.38 -4.90 117.00 114.69 2f5m n LEU 31 Ca -0.01 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 2f5m n LEU 31 Cb 0.23 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2f5m n LEU 31 CO 0.25 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2f5m n GLY 32 N 1.33 1.13 3.67 -0.72 0.00 -0.61 -4.95 105.19 105.04 2f5m n GLY 32 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 2.28 -0.50 1.61 -0.00 -0.53 -4.96 118.94 114.84 2f5m s TRP 33 Ca 0.00 0.42 -0.13 0.00 -0.00 0.00 0.00 56.10 56.39 2f5m s TRP 33 Cb 0.00 -3.82 0.12 0.00 -0.00 0.00 0.00 33.47 29.77 2f5m s TRP 33 CO 0.00 -3.32 0.41 0.08 -0.00 0.00 0.00 176.95 174.12 2f5m s VAL 34 N 3.58 4.72 0.27 5.86 1.01 -1.26 -4.49 120.40 130.09 2f5m s VAL 34 Ca 0.69 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2f5m s VAL 34 Cb -0.32 -4.03 0.26 0.00 0.00 0.00 0.00 36.38 32.29 2f5m s VAL 34 CO 0.27 -0.77 1.73 0.00 0.00 0.00 0.00 175.10 176.33 2f5m h ALA 35 N 8.66 1.32 0.00 5.51 0.00 -2.00 0.22 119.26 132.97 2f5m h ALA 35 Ca -0.26 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2f5m h ALA 35 Cb 1.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2f5m h ALA 35 CO 0.93 -0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.85 2f5m n SER 36 N -4.95 0.00 0.01 0.00 3.41 -1.26 -1.81 113.62 109.03 2f5m n SER 36 Ca 0.19 0.44 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 2f5m n SER 36 Cb 0.52 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.87 2f5m n SER 36 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2f5m n LYS 37 N -1.47 0.58 -2.22 4.33 5.02 0.74 -4.99 118.16 120.15 2f5m n LYS 37 Ca 0.05 -0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 56.12 2f5m n LYS 37 Cb 0.20 -1.58 -0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.27 -0.07 1.29 0.72 0.00 -0.75 -4.87 105.19 102.77 2f5m n GLY 38 Ca -0.02 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.08 3.77 -0.20 1.61 2.04 -1.26 -3.61 115.26 117.53 2f5m n ASN 39 Ca -0.13 -2.23 -0.06 0.00 -0.44 0.00 0.00 54.58 51.72 2f5m n ASN 39 Cb 0.60 -0.48 0.03 0.00 -2.53 0.00 0.00 39.78 37.40 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 3.50 0.67 -1.79 -4.53 5.85 -1.89 -1.21 115.31 115.91 2f5m h LEU 40 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2f5m h LEU 40 Cb 1.09 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 2f5m h LEU 40 CO 0.12 0.49 -0.04 0.00 -0.34 0.00 0.00 178.44 178.67 2f5m h ALA 41 N 1.21 1.04 -0.09 1.25 0.00 -1.83 -0.83 119.26 120.01 2f5m h ALA 41 Ca 0.21 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 2f5m h ALA 41 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2f5m h ALA 41 CO -0.05 0.05 -0.78 -0.44 0.00 0.00 0.00 179.25 178.03 2f5m h ASP 42 N 0.00 0.67 0.39 0.00 3.32 -1.58 -3.02 116.42 116.21 2f5m h ASP 42 Ca -0.00 -0.45 -0.32 0.00 0.02 0.00 0.00 57.03 56.28 2f5m h ASP 42 Cb 0.41 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2f5m h ASP 42 CO 0.01 1.22 -1.64 -0.37 -1.72 0.00 0.00 179.24 176.74 2f5m h VAL 43 N 0.37 1.01 -2.42 -1.35 -1.51 -0.98 -3.41 116.25 107.96 2f5m h VAL 43 Ca -0.05 -2.70 -0.59 0.00 -1.23 0.00 0.00 66.70 62.14 2f5m h VAL 43 Cb 1.39 2.67 -0.39 0.00 -2.13 0.00 0.00 31.29 32.82 2f5m h VAL 43 CO 0.15 0.79 -0.91 0.00 -1.23 0.00 0.00 177.57 176.36 2f5m n ALA 44 N -2.71 2.94 -1.72 5.19 0.00 -0.38 -5.04 120.51 118.79 2f5m n ALA 44 Ca -0.19 -3.46 -0.43 0.00 0.00 0.00 0.00 53.44 49.36 2f5m n ALA 44 Cb 1.05 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 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 2.39 2.53 -0.11 0.00 -0.02 -1.14 -1.59 135.00 137.07 2f5m n PRO 45 Ca 0.27 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 2f5m n PRO 45 Cb 0.46 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 2.40 1.61 3.89 -1.23 0.00 -1.26 -5.04 105.19 105.57 2f5m n GLY 46 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.41 3.69 0.15 1.61 -0.14 -0.62 -4.42 119.74 119.61 2f5m s LYS 47 Ca 0.00 0.06 0.09 0.00 -1.36 0.00 0.00 55.97 54.75 2f5m s LYS 47 Cb 0.00 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.39 2f5m s LYS 47 CO 0.00 0.35 -0.19 -1.12 -0.76 0.00 0.00 175.35 173.63 2f5m s SER 48 N -2.61 2.69 0.04 2.83 0.01 0.37 -4.81 113.70 112.22 2f5m s SER 48 Ca 0.44 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 2f5m s SER 48 Cb -0.11 -0.16 -0.06 0.00 0.21 0.00 0.00 66.02 65.90 2f5m s SER 48 CO 0.25 -0.01 1.28 -0.63 0.41 0.00 0.00 173.24 174.54 2f5m s ILE 49 N -1.87 3.87 -0.17 1.44 -1.09 -1.26 -0.93 121.20 121.18 2f5m s ILE 49 Ca 0.14 1.31 -0.31 0.00 -2.23 0.00 0.00 60.65 59.56 2f5m s ILE 49 Cb -0.07 -3.84 0.14 0.00 -1.58 0.00 0.00 42.46 37.12 2f5m s ILE 49 CO 0.06 0.06 1.10 -0.83 -1.23 0.00 0.00 174.94 174.10 2f5m s GLY 50 N 1.33 -0.22 0.00 6.18 0.00 -0.28 -0.05 107.32 114.29 2f5m s GLY 50 Ca 0.60 2.01 0.00 0.00 0.00 0.00 0.00 44.72 47.33 2f5m s GLY 50 CO 0.27 0.88 0.00 0.61 0.00 0.00 0.00 173.10 174.87 2f5m n GLY 51 N 0.43 1.04 3.79 0.20 0.00 0.78 -3.32 105.19 108.10 2f5m n GLY 51 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.90 6.85 0.24 1.61 1.01 -1.22 -4.75 116.67 118.50 2f5m s ASP 52 Ca 0.00 1.93 -0.31 0.00 0.71 0.00 0.00 52.55 54.87 2f5m s ASP 52 Cb 0.00 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.24 2f5m s ASP 52 CO 0.00 -0.43 1.68 -0.63 0.21 0.00 0.00 175.17 176.01 2f5m s ILE 53 N -1.78 2.03 -0.23 0.77 -1.09 -1.26 -1.69 121.20 117.96 2f5m s ILE 53 Ca 0.58 0.03 -0.09 0.00 -2.23 0.00 0.00 60.65 58.94 2f5m s ILE 53 Cb -0.18 -3.02 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 2f5m s ILE 53 CO 0.23 0.00 0.12 0.12 -1.23 0.00 0.00 174.94 174.18 2f5m s PHE 54 N 0.80 3.24 0.25 3.97 5.36 0.37 -4.85 117.98 127.13 2f5m s PHE 54 Ca 0.71 0.05 0.03 0.00 -0.96 0.00 0.00 56.93 56.76 2f5m s PHE 54 Cb -0.49 -2.21 0.32 0.00 -0.34 0.00 0.00 43.02 40.29 2f5m s PHE 54 CO 0.37 -0.00 1.63 1.03 -1.46 0.00 0.00 175.22 176.78 2f5m h SER 55 N 7.47 0.37 -5.98 6.13 0.87 -1.95 -3.39 113.55 117.07 2f5m h SER 55 Ca -0.37 -0.17 -0.42 0.00 -1.23 0.00 0.00 61.79 59.59 2f5m h SER 55 Cb 1.17 -0.11 0.08 0.00 -0.44 0.00 0.00 62.40 63.11 2f5m h SER 55 CO 0.65 0.79 -0.72 -3.20 -0.53 0.00 0.00 176.83 173.81 2f5m n ASN 56 N -3.99 -5.17 -0.32 6.23 5.15 -1.26 -4.89 115.26 111.01 2f5m n ASN 56 Ca -0.02 -0.64 -0.04 0.00 -0.60 0.00 0.00 54.58 53.28 2f5m n ASN 56 Cb 0.53 -4.63 0.08 0.00 -0.53 0.00 0.00 39.78 35.22 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 -2.40 1.20 -0.00 1.20 3.08 -2.00 -2.11 114.38 113.36 2f5m h ARG 57 Ca -0.58 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.33 2f5m h ARG 57 Cb 1.37 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2f5m h ARG 57 CO 0.59 0.88 -0.01 0.39 -1.07 0.00 0.00 179.97 180.76 2f5m n GLU 58 N -4.36 0.85 -2.47 0.04 1.02 -1.26 -4.90 120.64 109.56 2f5m n GLU 58 Ca 0.09 -0.05 -0.20 0.00 -0.02 0.00 0.00 57.16 56.98 2f5m n GLU 58 Cb 0.10 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 1.10 -0.45 0.14 0.62 0.00 -0.79 -4.91 105.19 100.90 2f5m n GLY 59 Ca 0.21 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.20 0.00 -5.76 1.61 1.57 -1.91 -3.44 116.57 108.45 2f5m h LYS 60 Ca -0.48 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.65 2f5m h LYS 60 Cb 1.35 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.59 2f5m h LYS 60 CO 0.55 0.00 -0.50 -0.51 -0.57 0.00 0.00 179.45 178.43 2f5m s LEU 61 N -5.04 4.32 0.07 2.94 1.02 -1.26 -4.94 118.68 115.80 2f5m s LEU 61 Ca 0.09 0.38 -0.31 0.00 0.02 0.00 0.00 54.13 54.31 2f5m s LEU 61 Cb 0.10 -2.34 -0.08 0.00 0.02 0.00 0.00 46.19 43.89 2f5m s LEU 61 CO 0.60 0.33 1.53 -2.16 0.02 0.00 0.00 176.35 176.67 2f5m s PRO 62 N -1.52 4.24 0.21 1.29 0.04 -1.26 -4.97 135.00 133.03 2f5m s PRO 62 Ca 0.22 2.20 -0.11 0.00 0.04 0.00 0.00 61.00 63.35 2f5m s PRO 62 Cb -0.12 -3.46 -0.07 0.00 0.04 0.00 0.00 34.50 30.88 2f5m s PRO 62 CO 0.12 -0.62 0.55 0.20 0.04 0.00 0.00 177.00 177.29 2f5m s GLY 63 N 1.85 2.33 -0.17 0.56 0.00 -1.26 -5.08 107.32 105.55 2f5m s GLY 63 Ca 0.69 -0.23 -0.20 0.00 0.00 0.00 0.00 44.72 44.98 2f5m s GLY 63 CO 0.30 -0.05 0.54 1.25 0.00 0.00 0.00 173.10 175.14 2f5m s LYS 64 N -2.61 0.70 0.27 2.90 2.47 -1.26 -5.07 119.74 117.13 2f5m s LYS 64 Ca 0.45 0.60 -0.30 0.00 -1.56 0.00 0.00 55.97 55.17 2f5m s LYS 64 Cb -0.12 0.33 -0.10 0.00 -1.46 0.00 0.00 37.83 36.48 2f5m s LYS 64 CO 0.20 -0.12 1.42 0.45 0.16 0.00 0.00 175.35 177.46 2f5m s SER 65 N -0.06 6.67 0.00 1.43 0.15 -1.26 -1.06 113.70 119.57 2f5m s SER 65 Ca -0.03 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.30 2f5m s SER 65 Cb -0.03 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2f5m s SER 65 CO 0.02 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.39 2f5m n GLY 66 N 1.91 0.88 3.66 9.45 0.00 -1.26 -5.03 105.19 114.80 2f5m n GLY 66 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 4.11 -0.09 1.61 3.52 -0.22 -4.93 118.95 122.70 2f5m s ARG 67 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 55.73 55.55 2f5m s ARG 67 Cb 0.00 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 2f5m s ARG 67 CO 0.00 -0.02 -0.03 0.99 -0.81 0.00 0.00 175.30 175.43 2f5m s THR 68 N 1.27 4.01 -0.06 4.11 2.01 -1.26 -4.74 115.64 120.98 2f5m s THR 68 Ca 0.13 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.79 2f5m s THR 68 Cb -0.14 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 2f5m s THR 68 CO 0.07 0.59 -0.11 0.26 -0.69 0.00 0.00 174.62 174.74 2f5m s TRP 69 N -0.72 2.82 0.17 4.92 0.52 -1.26 -0.72 118.94 124.66 2f5m s TRP 69 Ca 0.11 -0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.17 2f5m s TRP 69 Cb -0.11 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 2f5m s TRP 69 CO 0.02 0.23 -0.07 1.03 0.02 0.00 0.00 176.95 178.18 2f5m s ARG 70 N -0.69 1.14 0.11 4.98 0.52 -0.09 -0.48 118.95 124.44 2f5m s ARG 70 Ca 0.10 -1.52 0.04 0.00 -0.52 0.00 0.00 55.73 53.84 2f5m s ARG 70 Cb -0.11 -0.60 -0.04 0.00 0.52 0.00 0.00 34.95 34.72 2f5m s ARG 70 CO 0.01 0.02 -0.12 -1.83 0.02 0.00 0.00 175.30 173.40 2f5m s GLU 71 N -3.79 0.91 -0.12 3.54 -1.05 -0.68 -0.19 118.70 117.31 2f5m s GLU 71 Ca 0.20 -1.18 -0.11 0.00 -0.15 0.00 0.00 54.97 53.73 2f5m s GLU 71 Cb 0.04 -0.67 0.03 0.00 -0.44 0.00 0.00 34.13 33.09 2f5m s GLU 71 CO 0.03 0.12 0.32 0.00 0.95 0.00 0.00 175.26 176.68 2f5m s ALA 72 N -2.30 -0.80 0.36 -0.84 0.00 -0.61 -0.16 121.76 117.41 2f5m s ALA 72 Ca 0.06 0.92 -0.27 0.00 0.00 0.00 0.00 51.96 52.68 2f5m s ALA 72 Cb -0.04 -0.54 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 2f5m s ALA 72 CO 0.01 -0.16 1.16 -0.51 0.00 0.00 0.00 175.76 176.27 2f5m s ASP 73 N 0.21 6.76 0.08 0.00 1.11 0.93 -0.51 116.67 125.25 2f5m s ASP 73 Ca -0.00 2.35 0.09 0.00 0.18 0.00 0.00 52.55 55.18 2f5m s ASP 73 Cb -0.03 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 2f5m s ASP 73 CO 0.00 -0.51 -0.25 -0.63 1.18 0.00 0.00 175.17 174.96 2f5m s ILE 74 N -1.33 2.06 -1.64 0.77 -1.09 -0.67 -4.73 121.20 114.57 2f5m s ILE 74 Ca 0.53 -1.50 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 2f5m s ILE 74 Cb -0.32 -1.80 0.00 0.00 -1.58 0.00 0.00 42.46 38.77 2f5m s ILE 74 CO 0.40 0.20 0.00 0.59 -1.23 0.00 0.00 174.94 174.91 2f5m n ASN 75 N 1.43 -4.97 -4.78 3.58 3.02 -0.02 -4.57 115.26 108.96 2f5m n ASN 75 Ca -0.18 0.26 -0.39 0.00 -0.03 0.00 0.00 54.58 54.24 2f5m n ASN 75 Cb 0.53 -3.98 -0.06 0.00 -0.61 0.00 0.00 39.78 35.66 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 -2.69 3.79 0.00 3.10 5.04 -1.26 -4.92 117.35 120.41 2f5m s TYR 76 Ca 0.00 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 2f5m s TYR 76 Cb 0.00 -2.66 0.00 0.00 0.35 0.00 0.00 41.96 39.65 2f5m s TYR 76 CO 0.00 0.45 0.00 0.25 -1.34 0.00 0.00 175.55 174.91 2f5m n THR 77 N 2.13 0.00 -3.77 4.34 -2.24 -1.26 -4.94 114.28 108.54 2f5m n THR 77 Ca -0.07 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 2f5m n THR 77 Cb 0.50 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.78 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 -4.64 -0.25 0.00 3.42 1.04 -1.26 -4.69 113.70 107.32 2f5m s SER 78 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2f5m s SER 78 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2f5m s SER 78 CO 0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2f5m n GLY 79 N -0.35 -1.80 3.75 7.32 0.00 -1.24 -4.89 105.19 107.98 2f5m n GLY 79 Ca -0.09 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 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 2.29 0.57 1.61 0.08 -1.26 -4.42 117.98 116.85 2f5m s PHE 80 Ca 0.00 1.50 -0.21 0.00 0.12 0.00 0.00 56.93 58.35 2f5m s PHE 80 Cb 0.00 -3.55 -0.04 0.00 -0.57 0.00 0.00 43.02 38.86 2f5m s PHE 80 CO 0.00 -2.44 1.31 1.03 -0.10 0.00 0.00 175.22 175.01 2f5m s ARG 81 N -3.35 3.05 0.00 0.44 0.52 -1.26 -5.02 118.95 113.33 2f5m s ARG 81 Ca 0.79 2.10 0.00 0.00 -0.52 0.00 0.00 55.73 58.10 2f5m s ARG 81 Cb -0.33 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.01 2f5m s ARG 81 CO 0.35 -1.22 0.00 0.27 0.02 0.00 0.00 175.30 174.72 2f5m n ASN 82 N -1.25 0.00 -0.96 0.23 2.04 -1.26 -5.01 115.26 109.05 2f5m n ASN 82 Ca 0.12 -0.16 0.09 0.00 -0.44 0.00 0.00 54.58 54.19 2f5m n ASN 82 Cb 0.47 0.00 0.20 0.00 -2.53 0.00 0.00 39.78 37.91 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 -0.48 3.22 -4.71 0.53 3.41 -1.26 -4.90 113.62 109.43 2f5m n SER 83 Ca 0.00 -1.93 -0.38 0.00 -0.26 0.00 0.00 58.87 56.30 2f5m n SER 83 Cb 0.00 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.16 6.64 -0.01 4.04 1.01 -1.26 -1.55 116.67 124.38 2f5m s ASP 84 Ca 0.33 0.77 -0.05 0.00 0.71 0.00 0.00 52.55 54.31 2f5m s ASP 84 Cb 0.18 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.83 2f5m s ASP 84 CO 0.25 -0.04 0.11 -0.13 0.21 0.00 0.00 175.17 175.57 2f5m s ARG 85 N 0.85 0.33 -0.11 8.23 1.81 0.09 -1.66 118.95 128.49 2f5m s ARG 85 Ca 0.25 -0.21 -0.07 0.00 -1.72 0.00 0.00 55.73 53.98 2f5m s ARG 85 Cb -0.15 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 2f5m s ARG 85 CO 0.10 -0.07 0.14 -1.50 -0.68 0.00 0.00 175.30 173.28 2f5m s ILE 86 N -0.85 5.45 -0.16 1.52 2.07 0.34 -0.75 121.20 128.81 2f5m s ILE 86 Ca -0.09 0.17 0.02 0.00 -1.41 0.00 0.00 60.65 59.33 2f5m s ILE 86 Cb -0.05 -3.38 0.02 0.00 0.13 0.00 0.00 42.46 39.17 2f5m s ILE 86 CO 0.01 0.61 -0.21 -0.76 -1.91 0.00 0.00 174.94 172.68 2f5m s LEU 87 N -1.06 2.13 -0.01 8.50 2.01 0.17 -1.58 118.68 128.84 2f5m s LEU 87 Ca 0.15 -0.63 0.04 0.00 0.01 0.00 0.00 54.13 53.70 2f5m s LEU 87 Cb -0.12 -1.47 -0.01 0.00 0.01 0.00 0.00 46.19 44.60 2f5m s LEU 87 CO 0.05 0.03 -0.12 -0.72 1.01 0.00 0.00 176.35 176.60 2f5m s TYR 88 N 1.09 1.06 0.41 0.29 1.13 0.73 -0.83 117.35 121.24 2f5m s TYR 88 Ca 0.00 -0.21 0.08 0.00 -1.41 0.00 0.00 57.07 55.53 2f5m s TYR 88 Cb -0.14 -0.69 -0.00 0.00 -1.10 0.00 0.00 41.96 40.03 2f5m s TYR 88 CO -0.08 -0.03 0.50 -1.54 -2.51 0.00 0.00 175.55 171.89 2f5m s SER 89 N -0.23 5.50 0.41 -0.18 1.04 -0.31 -0.91 113.70 119.02 2f5m s SER 89 Ca 0.04 -0.50 0.16 0.00 0.48 0.00 0.00 55.95 56.13 2f5m s SER 89 Cb -0.05 -0.67 1.04 0.00 0.10 0.00 0.00 66.02 66.43 2f5m s SER 89 CO -0.00 -0.70 1.87 0.28 0.98 0.00 0.00 173.24 175.67 2f5m h SER 90 N 0.78 0.44 -0.47 7.02 0.02 -1.26 -1.01 113.55 119.06 2f5m h SER 90 Ca -0.41 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.44 2f5m h SER 90 Cb 1.27 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 2f5m h SER 90 CO 0.49 0.20 0.09 -0.90 -1.14 0.00 0.00 176.83 175.57 2f5m n ASP 91 N -4.51 3.79 -2.10 3.07 5.75 -1.26 -4.98 116.55 116.31 2f5m n ASP 91 Ca 0.18 -3.32 -0.17 0.00 -0.01 0.00 0.00 54.79 51.47 2f5m n ASP 91 Cb 0.62 -0.65 0.01 0.00 -1.03 0.00 0.00 41.12 40.07 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 -0.60 -1.10 -2.24 2.11 7.02 -0.38 -5.01 117.44 117.23 2f5m n TRP 92 Ca 0.33 0.17 -0.41 0.00 -1.02 0.00 0.00 57.50 56.57 2f5m n TRP 92 Cb 1.13 -3.51 -0.03 0.00 -2.42 0.00 0.00 31.31 26.47 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 -4.97 4.43 -0.10 -0.99 1.43 -1.26 -4.89 118.68 112.32 2f5m s LEU 93 Ca 0.10 2.39 0.01 0.00 -1.03 0.00 0.00 54.13 55.60 2f5m s LEU 93 Cb -0.04 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.58 2f5m s LEU 93 CO 0.12 -0.49 -0.13 -0.63 0.23 0.00 0.00 176.35 175.45 2f5m s ILE 94 N -0.06 1.33 0.29 -0.59 -1.09 -1.26 -1.16 121.20 118.66 2f5m s ILE 94 Ca 0.55 -0.54 0.12 0.00 -2.23 0.00 0.00 60.65 58.54 2f5m s ILE 94 Cb -0.36 -1.24 -0.05 0.00 -1.58 0.00 0.00 42.46 39.23 2f5m s ILE 94 CO 0.39 0.41 -0.17 -0.31 -1.23 0.00 0.00 174.94 174.03 2f5m s TYR 95 N 1.06 2.34 0.12 3.97 1.51 -0.01 -0.49 117.35 125.85 2f5m s TYR 95 Ca -0.06 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.72 2f5m s TYR 95 Cb -0.15 -1.05 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 2f5m s TYR 95 CO -0.02 0.70 -0.15 -1.59 -1.11 0.00 0.00 175.55 173.38 2f5m s LYS 96 N -3.54 1.03 -0.00 -0.62 -2.85 0.65 -0.66 119.74 113.76 2f5m s LYS 96 Ca 0.30 -1.23 0.02 0.00 -1.00 0.00 0.00 55.97 54.06 2f5m s LYS 96 Cb -0.04 -0.96 -0.00 0.00 -2.06 0.00 0.00 37.83 34.76 2f5m s LYS 96 CO 0.16 0.19 -0.05 -0.08 0.10 0.00 0.00 175.35 175.66 2f5m s THR 97 N -2.02 0.40 -0.04 3.79 -1.32 0.07 -1.21 115.64 115.30 2f5m s THR 97 Ca 0.09 -0.24 0.06 0.00 -1.21 0.00 0.00 61.69 60.39 2f5m s THR 97 Cb -0.06 -0.34 0.10 0.00 -1.51 0.00 0.00 72.50 70.69 2f5m s THR 97 CO 0.03 0.10 1.05 0.35 -2.21 0.00 0.00 174.62 173.94 2f5m n THR 98 N 2.91 1.29 -2.57 5.08 -2.24 -1.26 -0.73 114.28 116.76 2f5m n THR 98 Ca -0.13 -1.42 -0.09 0.00 -2.27 0.00 0.00 64.05 60.14 2f5m n THR 98 Cb 0.58 0.26 0.04 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.81 2.68 -3.65 3.42 5.68 -1.14 -4.52 116.55 118.20 2f5m n ASP 99 Ca 0.05 -2.68 -0.22 0.00 -0.50 0.00 0.00 54.79 51.45 2f5m n ASP 99 Cb 0.38 -0.45 0.04 0.00 -1.14 0.00 0.00 41.12 39.96 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 -0.56 -1.97 -1.30 2.11 8.25 -0.60 -2.94 115.22 118.22 2f5m n HIS 100 Ca 0.19 0.80 -0.10 0.00 -0.26 0.00 0.00 57.72 58.35 2f5m n HIS 100 Cb 0.84 -4.29 -0.04 0.00 1.12 0.00 0.00 29.99 27.62 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 -4.17 0.00 0.12 4.41 4.02 -1.26 -4.89 117.16 115.39 2f5m n TYR 101 Ca -0.26 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.39 2f5m n TYR 101 Cb 0.66 -2.03 -0.16 0.00 -0.02 0.00 0.00 39.34 37.80 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 0.05 0.48 -4.85 -0.72 4.20 -1.94 -3.47 115.11 108.87 2f5m h GLN 102 Ca -0.21 -0.82 -0.30 0.00 0.06 0.00 0.00 58.65 57.38 2f5m h GLN 102 Cb 0.73 0.31 -0.18 0.00 0.30 0.00 0.00 27.48 28.63 2f5m h GLN 102 CO 0.31 1.39 -0.73 0.95 -0.67 0.00 0.00 178.83 180.09 2f5m s THR 103 N -2.57 0.83 0.07 -0.54 -4.23 -1.26 -5.11 115.64 102.83 2f5m s THR 103 Ca -0.11 -1.57 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 2f5m s THR 103 Cb 0.04 -1.25 -0.03 0.00 1.34 0.00 0.00 72.50 72.59 2f5m s THR 103 CO 0.91 -0.56 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.93 2f5m s PHE 104 N -2.39 1.19 -0.07 3.99 0.08 -1.26 -4.43 117.98 115.10 2f5m s PHE 104 Ca 0.03 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.63 2f5m s PHE 104 Cb -0.03 -0.67 0.01 0.00 -0.57 0.00 0.00 43.02 41.77 2f5m s PHE 104 CO -0.01 0.05 -0.11 0.99 -0.10 0.00 0.00 175.22 176.05 2f5m s THR 105 N -1.36 1.05 0.06 0.64 2.01 -0.35 -4.96 115.64 112.73 2f5m s THR 105 Ca -0.02 -0.42 -0.31 0.00 0.31 0.00 0.00 61.69 61.26 2f5m s THR 105 Cb -0.10 -0.98 -0.06 0.00 0.01 0.00 0.00 72.50 71.37 2f5m s THR 105 CO 0.02 0.34 1.31 -0.75 -0.69 0.00 0.00 174.62 174.85 2f5m s LYS 106 N 0.76 4.36 0.00 4.92 2.20 -1.26 -0.25 119.74 130.47 2f5m s LYS 106 Ca -0.13 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 2f5m s LYS 106 Cb -0.15 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 2f5m s LYS 106 CO 0.02 -0.40 0.00 0.44 -0.36 0.00 0.00 175.35 175.05 2f5m n ILE 107 N 4.15 0.00 -1.29 5.43 -5.35 0.36 -4.93 119.36 117.73 2f5m n ILE 107 Ca 0.11 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2f5m n ILE 107 Cb 0.44 0.93 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