#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brk n ASN 5 N 0.00 -0.02 -4.92 4.38 6.94 -1.26 -4.80 115.26 115.58 1brk n ASN 5 Ca 0.00 -1.91 -0.21 0.00 -0.02 0.00 0.00 54.58 52.43 1brk n ASN 5 Cb 0.00 -0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.38 1brk n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1brk s THR 6 N 0.00 4.93 0.15 5.53 -4.23 -1.26 -0.78 115.64 119.99 1brk s THR 6 Ca 0.14 -1.14 -0.16 0.00 -1.18 0.00 0.00 61.69 59.35 1brk s THR 6 Cb 0.16 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.32 1brk s THR 6 CO -0.07 -0.33 1.81 -0.26 -0.54 0.00 0.00 174.62 175.23 1brk h PHE 7 N 1.27 0.47 -0.11 3.99 0.04 -1.98 -1.57 116.94 119.05 1brk h PHE 7 Ca -0.51 0.01 -0.21 0.00 2.80 0.00 0.00 57.97 60.07 1brk h PHE 7 Cb 1.23 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1brk h PHE 7 CO 0.49 0.29 -0.78 -0.44 -0.60 0.00 0.00 178.31 177.26 1brk h ASP 8 N 0.50 0.72 -0.05 2.17 3.32 -1.98 -2.30 116.42 118.80 1brk h ASP 8 Ca 0.14 -0.49 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 1brk h ASP 8 Cb -0.04 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1brk h ASP 8 CO -0.04 1.26 0.03 1.23 -1.72 0.00 0.00 179.24 180.00 1brk h GLY 9 N 0.90 0.08 0.93 2.75 0.00 -1.95 -0.38 103.07 105.40 1brk h GLY 9 Ca -0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1brk h GLY 9 CO 0.15 0.04 0.03 -2.08 0.00 0.00 0.00 176.54 174.68 1brk h VAL 10 N -0.03 1.25 -0.29 4.60 2.07 -1.35 -0.93 116.25 121.58 1brk h VAL 10 Ca 0.02 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.68 1brk h VAL 10 Cb 0.11 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1brk h VAL 10 CO -0.00 0.31 -0.13 0.00 0.02 0.00 0.00 177.57 177.77 1brk h ALA 11 N 0.89 0.11 -0.55 1.67 0.00 -1.34 0.10 119.26 120.15 1brk h ALA 11 Ca 0.11 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1brk h ALA 11 Cb 0.41 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1brk h ALA 11 CO 0.01 -0.52 0.12 -0.44 0.00 0.00 0.00 179.25 178.42 1brk h ASP 12 N -0.08 0.86 -0.07 0.00 3.32 -0.97 -2.23 116.42 117.24 1brk h ASP 12 Ca 0.15 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 56.98 1brk h ASP 12 Cb 0.30 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1brk h ASP 12 CO -0.34 0.88 -0.08 0.22 -1.72 0.00 0.00 179.24 178.20 1brk h TYR 13 N 0.80 -0.21 -0.39 4.55 5.03 -0.86 -2.57 116.97 123.32 1brk h TYR 13 Ca 0.17 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.52 1brk h TYR 13 Cb 0.37 0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 1brk h TYR 13 CO 0.03 -0.13 0.20 -0.07 -1.32 0.00 0.00 178.16 176.86 1brk h LEU 14 N -0.11 0.28 -1.71 2.82 3.38 -0.59 -0.66 115.31 118.72 1brk h LEU 14 Ca 0.06 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1brk h LEU 14 Cb 0.19 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1brk h LEU 14 CO -0.14 0.21 -0.04 1.56 0.09 0.00 0.00 178.44 180.12 1brk h GLN 15 N 0.40 0.13 0.00 1.13 4.20 -1.13 -0.40 115.11 119.43 1brk h GLN 15 Ca 0.17 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 1brk h GLN 15 Cb 0.08 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1brk h GLN 15 CO -0.12 0.18 -0.64 1.15 -0.67 0.00 0.00 178.83 178.73 1brk h THR 16 N 0.13 1.20 -0.01 -0.54 2.02 -1.31 -3.41 112.91 111.00 1brk h THR 16 Ca 0.03 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1brk h THR 16 Cb 0.16 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1brk h THR 16 CO 0.01 0.41 -0.77 -1.22 0.37 0.00 0.00 175.52 174.31 1brk n TYR 17 N -4.53 0.00 -2.89 3.16 4.01 -0.27 -5.03 117.16 111.61 1brk n TYR 17 Ca -0.20 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.37 1brk n TYR 17 Cb 0.55 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.61 1brk n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1brk n HIS 18 N -0.90 -1.58 -3.57 -0.72 8.25 -0.16 -4.99 115.22 111.55 1brk n HIS 18 Ca 0.06 0.44 -0.06 0.00 -0.26 0.00 0.00 57.72 57.91 1brk n HIS 18 Cb 0.38 -3.71 -0.02 0.00 1.12 0.00 0.00 29.99 27.76 1brk n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1brk s LYS 19 N -5.48 0.61 0.62 -0.41 -2.85 -1.26 -5.08 119.74 105.88 1brk s LYS 19 Ca 0.26 -0.25 -0.15 0.00 -1.00 0.00 0.00 55.97 54.83 1brk s LYS 19 Cb -0.11 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 35.90 1brk s LYS 19 CO 0.32 -0.27 1.06 -0.51 0.10 0.00 0.00 175.35 176.05 1brk s LEU 20 N -2.43 3.43 0.98 2.77 1.43 -1.26 -4.23 118.68 119.37 1brk s LEU 20 Ca 0.08 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 1brk s LEU 20 Cb -0.01 -4.53 0.14 0.00 0.03 0.00 0.00 46.19 41.82 1brk s LEU 20 CO -0.06 -1.27 0.88 -2.65 0.23 0.00 0.00 176.35 173.48 1brk n PRO 21 N -2.23 -0.77 0.16 1.29 -0.02 -1.26 -4.89 135.00 127.28 1brk n PRO 21 Ca 0.09 -0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.51 1brk n PRO 21 Cb 0.53 -2.18 0.58 0.00 -0.02 0.00 0.00 33.50 32.41 1brk n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1brk n ASP 22 N -3.46 0.61 -0.20 2.55 8.00 -1.26 -2.50 116.55 120.28 1brk n ASP 22 Ca 0.09 0.75 0.12 0.00 0.71 0.00 0.00 54.79 56.46 1brk n ASP 22 Cb 0.53 -0.84 0.61 0.00 -0.02 0.00 0.00 41.12 41.40 1brk n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1brk n ASN 23 N -2.28 0.61 -4.85 -2.24 6.94 -1.26 -4.88 115.26 107.29 1brk n ASN 23 Ca -0.01 -1.39 -0.35 0.00 -0.02 0.00 0.00 54.58 52.82 1brk n ASN 23 Cb 0.08 -0.02 -0.06 0.00 -2.36 0.00 0.00 39.78 37.42 1brk n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1brk s TYR 24 N -1.95 3.49 0.03 -2.53 2.02 -1.04 -0.94 117.35 116.43 1brk s TYR 24 Ca 0.36 0.39 0.03 0.00 -0.37 0.00 0.00 57.07 57.47 1brk s TYR 24 Cb 0.18 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 1brk s TYR 24 CO 0.29 0.65 -0.08 0.96 -1.57 0.00 0.00 175.55 175.80 1brk s ILE 25 N -1.14 0.61 0.81 2.71 -4.36 -0.29 -4.91 121.20 114.63 1brk s ILE 25 Ca 0.20 -0.89 -0.12 0.00 -0.26 0.00 0.00 60.65 59.59 1brk s ILE 25 Cb -0.12 -0.62 0.08 0.00 1.25 0.00 0.00 42.46 43.05 1brk s ILE 25 CO 0.10 -0.21 1.12 0.42 0.24 0.00 0.00 174.94 176.61 1brk s THR 26 N -1.02 2.71 0.25 8.37 -4.23 -1.17 -1.38 115.64 119.17 1brk s THR 26 Ca -0.05 0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.66 1brk s THR 26 Cb -0.08 -3.06 0.22 0.00 1.34 0.00 0.00 72.50 70.93 1brk s THR 26 CO 0.00 -0.30 1.75 0.11 -0.54 0.00 0.00 174.62 175.65 1brk h LYS 27 N -1.12 0.55 -0.10 3.99 1.57 -1.96 -0.41 116.57 119.08 1brk h LYS 27 Ca -0.47 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.15 1brk h LYS 27 Cb 1.29 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1brk h LYS 27 CO 0.62 0.36 -0.48 0.66 -0.57 0.00 0.00 179.45 180.04 1brk h SER 28 N 0.56 0.28 -0.21 0.86 4.64 -1.99 -0.39 113.55 117.30 1brk h SER 28 Ca 0.43 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.56 1brk h SER 28 Cb 0.60 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1brk h SER 28 CO -0.36 0.72 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.88 1brk h GLU 29 N 0.21 0.44 -0.38 4.77 5.08 -1.79 -2.19 114.58 120.71 1brk h GLU 29 Ca 0.01 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1brk h GLU 29 Cb 0.92 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1brk h GLU 29 CO 0.08 0.73 0.23 0.00 -1.00 0.00 0.00 179.01 179.05 1brk h ALA 30 N 0.70 0.48 -0.85 3.43 0.00 -0.75 -2.42 119.26 119.85 1brk h ALA 30 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1brk h ALA 30 Cb 0.61 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1brk h ALA 30 CO 0.03 -0.03 0.56 1.96 0.00 0.00 0.00 179.25 181.77 1brk h GLN 31 N 0.50 1.08 -0.47 0.00 4.20 -1.06 -1.83 115.11 117.53 1brk h GLN 31 Ca 0.14 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1brk h GLN 31 Cb -0.01 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 1brk h GLN 31 CO -0.03 0.71 0.19 0.00 -0.67 0.00 0.00 178.83 179.04 1brk h ALA 32 N 1.33 1.45 0.00 3.87 0.00 -1.10 -1.68 119.26 123.12 1brk h ALA 32 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1brk h ALA 32 Cb -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1brk h ALA 32 CO -0.09 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.86 1brk n LEU 33 N -4.36 0.00 0.00 0.00 4.77 -0.72 -4.91 117.00 111.78 1brk n LEU 33 Ca 0.04 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1brk n LEU 33 Cb 0.15 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1brk n LEU 33 CO 0.38 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1brk n GLY 34 N 1.07 0.95 3.66 -0.72 0.00 -0.63 -4.89 105.19 104.63 1brk n GLY 34 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1brk n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1brk s TRP 35 N -2.00 2.43 -0.34 1.61 -0.00 -1.01 -4.92 118.94 114.71 1brk s TRP 35 Ca 0.00 0.62 0.00 0.00 -0.00 0.00 0.00 56.10 56.72 1brk s TRP 35 Cb 0.00 -3.70 0.09 0.00 -0.00 0.00 0.00 33.47 29.85 1brk s TRP 35 CO 0.00 -2.73 0.07 0.08 -0.00 0.00 0.00 176.95 174.37 1brk s VAL 36 N 3.77 2.78 0.26 5.86 1.01 -1.26 -4.40 120.40 128.42 1brk s VAL 36 Ca 0.64 -1.91 -0.02 0.00 0.00 0.00 0.00 61.98 60.68 1brk s VAL 36 Cb -0.27 -2.83 0.23 0.00 0.00 0.00 0.00 36.38 33.51 1brk s VAL 36 CO 0.22 -0.43 1.73 0.00 0.00 0.00 0.00 175.10 176.62 1brk h ALA 37 N 7.88 1.16 0.00 5.51 0.00 -2.00 -0.74 119.26 131.07 1brk h ALA 37 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1brk h ALA 37 Cb 1.04 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1brk h ALA 37 CO 0.57 -0.21 0.00 0.77 0.00 0.00 0.00 179.25 180.39 1brk h SER 38 N 0.47 0.00 -0.00 0.00 0.02 -2.03 -0.45 113.55 111.55 1brk h SER 38 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1brk h SER 38 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1brk h SER 38 CO -0.42 0.00 -0.79 0.29 -1.14 0.00 0.00 176.83 174.77 1brk n LYS 39 N -2.38 0.73 -4.05 3.45 5.02 -0.31 -5.00 118.16 115.63 1brk n LYS 39 Ca -0.00 -0.28 -0.33 0.00 -2.02 0.00 0.00 58.31 55.68 1brk n LYS 39 Cb 0.12 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1brk n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1brk n GLY 40 N 1.43 -0.47 2.00 0.72 0.00 -0.18 -4.89 105.19 103.81 1brk n GLY 40 Ca 0.05 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 1brk n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1brk n ASN 41 N -2.76 4.43 -0.14 1.61 6.94 -1.26 -3.93 115.26 120.15 1brk n ASN 41 Ca 0.05 -3.35 -0.07 0.00 -0.02 0.00 0.00 54.58 51.18 1brk n ASN 41 Cb 0.52 -0.76 0.01 0.00 -2.36 0.00 0.00 39.78 37.19 1brk n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1brk h LEU 42 N 2.14 0.47 -2.21 -4.53 5.85 -1.89 -1.03 115.31 114.10 1brk h LEU 42 Ca 0.36 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1brk h LEU 42 Cb 2.44 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 43.36 1brk h LEU 42 CO 0.81 0.34 0.00 0.00 -0.34 0.00 0.00 178.44 179.25 1brk h ALA 43 N 1.18 1.00 0.09 1.25 0.00 -1.84 -0.23 119.26 120.70 1brk h ALA 43 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 1brk h ALA 43 Cb -0.04 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1brk h ALA 43 CO -0.05 0.00 -1.04 -0.44 0.00 0.00 0.00 179.25 177.72 1brk h ASP 44 N 0.00 0.76 0.49 0.00 3.32 -1.54 -3.11 116.42 116.35 1brk h ASP 44 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1brk h ASP 44 Cb 0.23 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1brk h ASP 44 CO 0.00 1.50 -0.92 1.33 -1.72 0.00 0.00 179.24 179.43 1brk n VAL 45 N -3.93 0.18 -2.93 -1.35 0.24 -1.10 -4.65 118.33 104.78 1brk n VAL 45 Ca -0.13 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.34 61.81 1brk n VAL 45 Cb 0.89 0.19 0.01 0.00 -1.47 0.00 0.00 33.84 33.46 1brk n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1brk n ALA 46 N -1.79 0.30 -1.62 2.33 0.00 -0.11 -4.94 120.51 114.67 1brk n ALA 46 Ca 0.02 -2.27 -0.50 0.00 0.00 0.00 0.00 53.44 50.70 1brk n ALA 46 Cb 0.42 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 1brk n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1brk n PRO 47 N 1.07 1.55 0.00 0.00 -0.02 -1.17 -1.62 135.00 134.81 1brk n PRO 47 Ca 0.14 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1brk n PRO 47 Cb 0.62 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1brk n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1brk n GLY 48 N 2.86 1.86 3.92 -1.23 0.00 -1.26 -5.05 105.19 106.29 1brk n GLY 48 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1brk n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1brk s LYS 49 N -0.45 3.55 0.08 1.61 -0.14 -0.64 -4.86 119.74 118.89 1brk s LYS 49 Ca 0.00 -0.13 0.03 0.00 -1.36 0.00 0.00 55.97 54.51 1brk s LYS 49 Cb 0.00 -2.62 -0.03 0.00 -1.68 0.00 0.00 37.83 33.50 1brk s LYS 49 CO 0.00 0.13 -0.09 -1.12 -0.76 0.00 0.00 175.35 173.51 1brk s SER 50 N -3.69 1.24 0.10 2.83 0.01 -0.11 -4.86 113.70 109.21 1brk s SER 50 Ca 0.42 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.60 1brk s SER 50 Cb -0.10 0.03 -0.06 0.00 0.21 0.00 0.00 66.02 66.10 1brk s SER 50 CO 0.35 -0.29 1.07 -0.63 0.41 0.00 0.00 173.24 174.15 1brk s ILE 51 N -2.40 4.24 -0.28 1.44 -1.09 -1.26 -1.14 121.20 120.71 1brk s ILE 51 Ca 0.03 1.76 -0.34 0.00 -2.23 0.00 0.00 60.65 59.87 1brk s ILE 51 Cb -0.03 -4.13 0.17 0.00 -1.58 0.00 0.00 42.46 36.90 1brk s ILE 51 CO -0.01 0.22 1.36 -0.83 -1.23 0.00 0.00 174.94 174.45 1brk s GLY 52 N 0.43 -0.06 0.00 6.18 0.00 -0.48 -0.32 107.32 113.08 1brk s GLY 52 Ca 0.52 2.36 0.00 0.00 0.00 0.00 0.00 44.72 47.60 1brk s GLY 52 CO 0.31 0.87 0.00 0.61 0.00 0.00 0.00 173.10 174.89 1brk n GLY 53 N 0.25 0.62 3.87 0.20 0.00 -0.26 -3.04 105.19 106.82 1brk n GLY 53 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1brk n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1brk s ASP 54 N -1.99 6.58 0.42 1.61 1.01 -1.24 -4.79 116.67 118.28 1brk s ASP 54 Ca 0.00 1.22 -0.25 0.00 0.71 0.00 0.00 52.55 54.23 1brk s ASP 54 Cb 0.00 -2.36 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 1brk s ASP 54 CO 0.00 -0.39 1.20 -0.63 0.21 0.00 0.00 175.17 175.56 1brk s ILE 55 N -2.33 3.00 -0.18 0.77 1.01 -1.26 -1.47 121.20 120.74 1brk s ILE 55 Ca 0.53 0.83 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1brk s ILE 55 Cb -0.10 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1brk s ILE 55 CO 0.29 0.06 -0.18 0.12 0.00 0.00 0.00 174.94 175.23 1brk s PHE 56 N -1.41 2.79 0.33 3.97 5.36 -0.64 -4.84 117.98 123.53 1brk s PHE 56 Ca 0.59 -1.45 0.15 0.00 -0.96 0.00 0.00 56.93 55.26 1brk s PHE 56 Cb -0.32 -1.93 0.75 0.00 -0.34 0.00 0.00 43.02 41.18 1brk s PHE 56 CO 0.40 -0.71 1.81 0.66 -1.46 0.00 0.00 175.22 175.91 1brk h SER 57 N 7.82 0.00 -5.13 6.13 4.64 -1.96 -3.38 113.55 121.68 1brk h SER 57 Ca -0.42 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.49 1brk h SER 57 Cb 1.15 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.31 1brk h SER 57 CO 0.62 0.38 -0.64 -3.20 -0.87 0.00 0.00 176.83 173.11 1brk n ASN 58 N -3.90 -5.89 -0.03 4.97 5.15 -1.26 -4.89 115.26 109.41 1brk n ASN 58 Ca -0.01 -0.41 0.03 0.00 -0.60 0.00 0.00 54.58 53.58 1brk n ASN 58 Cb 0.43 -4.72 0.37 0.00 -0.53 0.00 0.00 39.78 35.33 1brk n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1brk h ARG 59 N -1.80 0.60 0.00 1.20 1.12 -1.99 -1.51 114.38 111.99 1brk h ARG 59 Ca -0.54 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.28 1brk h ARG 59 Cb 1.36 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.20 1brk h ARG 59 CO 0.57 0.44 0.00 0.39 -3.11 0.00 0.00 179.97 178.26 1brk n GLU 60 N -4.43 0.24 -2.64 0.20 1.02 -1.26 -4.92 120.64 108.85 1brk n GLU 60 Ca 0.03 0.04 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 1brk n GLU 60 Cb 0.09 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.03 1brk n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1brk n GLY 61 N 1.08 -0.30 0.20 0.62 0.00 -0.57 -4.93 105.19 101.30 1brk n GLY 61 Ca 0.10 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1brk n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1brk h LYS 62 N -0.65 0.00 -5.89 1.61 1.57 -1.91 -3.44 116.57 107.86 1brk h LYS 62 Ca -0.41 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.73 1brk h LYS 62 Cb 1.29 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.54 1brk h LYS 62 CO 0.46 0.26 -0.52 -0.51 -0.57 0.00 0.00 179.45 178.58 1brk s LEU 63 N -6.54 4.23 0.12 2.94 1.43 -1.26 -4.96 118.68 114.65 1brk s LEU 63 Ca 0.03 0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 53.09 1brk s LEU 63 Cb 0.08 -2.58 -0.10 0.00 0.03 0.00 0.00 46.19 43.62 1brk s LEU 63 CO 0.67 0.25 1.79 -2.16 0.23 0.00 0.00 176.35 177.12 1brk s PRO 64 N -2.01 4.15 0.34 1.29 0.04 -1.26 -5.01 135.00 132.54 1brk s PRO 64 Ca 0.28 2.55 0.06 0.00 0.04 0.00 0.00 61.00 63.93 1brk s PRO 64 Cb -0.13 -3.54 -0.01 0.00 0.04 0.00 0.00 34.50 30.87 1brk s PRO 64 CO 0.19 -0.81 0.48 0.20 0.04 0.00 0.00 177.00 177.10 1brk s GLY 65 N 2.49 1.59 -0.16 0.56 0.00 -1.26 -5.09 107.32 105.45 1brk s GLY 65 Ca 0.79 -1.43 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 1brk s GLY 65 CO 0.35 -1.35 0.88 1.25 0.00 0.00 0.00 173.10 174.24 1brk s LYS 66 N -4.20 0.74 0.25 2.90 2.20 -1.26 -5.09 119.74 115.29 1brk s LYS 66 Ca 0.45 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 56.12 1brk s LYS 66 Cb -0.10 0.35 -0.10 0.00 -1.51 0.00 0.00 37.83 36.47 1brk s LYS 66 CO 0.31 -0.19 1.44 -1.54 -0.36 0.00 0.00 175.35 175.01 1brk s SER 67 N -0.72 6.65 0.00 1.43 1.04 -1.26 -1.63 113.70 119.21 1brk s SER 67 Ca -0.03 2.68 0.00 0.00 0.48 0.00 0.00 55.95 59.08 1brk s SER 67 Cb -0.02 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1brk s SER 67 CO 0.02 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1brk n GLY 68 N 2.12 0.62 3.65 7.32 0.00 -1.26 -5.01 105.19 112.62 1brk n GLY 68 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1brk n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1brk s ARG 69 N -0.29 4.12 0.07 1.61 3.52 -0.64 -4.92 118.95 122.42 1brk s ARG 69 Ca 0.00 0.17 0.07 0.00 -0.13 0.00 0.00 55.73 55.84 1brk s ARG 69 Cb 0.00 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1brk s ARG 69 CO 0.00 -0.13 -0.14 0.95 -0.81 0.00 0.00 175.30 175.16 1brk s THR 70 N 1.61 3.06 -0.03 4.11 -4.23 -1.26 -4.76 115.64 114.14 1brk s THR 70 Ca 0.18 -1.24 -0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1brk s THR 70 Cb -0.15 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1brk s THR 70 CO 0.08 0.23 0.03 0.26 -0.54 0.00 0.00 174.62 174.68 1brk s TRP 71 N -1.07 3.17 0.16 3.99 0.52 -1.26 -0.70 118.94 123.75 1brk s TRP 71 Ca 0.18 0.16 0.04 0.00 0.02 0.00 0.00 56.10 56.49 1brk s TRP 71 Cb -0.11 -1.73 -0.05 0.00 -1.15 0.00 0.00 33.47 30.44 1brk s TRP 71 CO 0.09 0.49 -0.07 1.03 0.02 0.00 0.00 176.95 178.51 1brk s ARG 72 N -1.40 1.11 0.23 4.98 0.52 0.54 -1.61 118.95 123.32 1brk s ARG 72 Ca 0.19 -1.50 0.04 0.00 -0.52 0.00 0.00 55.73 53.93 1brk s ARG 72 Cb -0.12 -0.59 -0.05 0.00 0.52 0.00 0.00 34.95 34.71 1brk s ARG 72 CO 0.09 0.03 -0.01 -1.83 0.02 0.00 0.00 175.30 173.60 1brk s GLU 73 N -3.78 1.34 -0.11 3.54 -1.05 -0.54 -0.74 118.70 117.35 1brk s GLU 73 Ca 0.19 -1.67 -0.20 0.00 -0.15 0.00 0.00 54.97 53.14 1brk s GLU 73 Cb 0.03 -0.63 0.05 0.00 -0.44 0.00 0.00 34.13 33.14 1brk s GLU 73 CO 0.02 -0.09 0.49 0.00 0.95 0.00 0.00 175.26 176.64 1brk s ALA 74 N -3.41 -1.25 0.23 -0.84 0.00 -0.63 -1.11 121.76 114.77 1brk s ALA 74 Ca 0.28 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 1brk s ALA 74 Cb 0.06 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 1brk s ALA 74 CO 0.09 -0.28 1.15 -0.51 0.00 0.00 0.00 175.76 176.21 1brk s ASP 75 N -0.49 7.17 0.02 0.00 1.11 0.57 -1.64 116.67 123.40 1brk s ASP 75 Ca -0.06 2.26 0.09 0.00 0.18 0.00 0.00 52.55 55.01 1brk s ASP 75 Cb -0.03 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 1brk s ASP 75 CO 0.04 -0.26 -0.26 -0.63 1.18 0.00 0.00 175.17 175.24 1brk s ILE 76 N -0.61 2.16 -1.18 0.77 -1.09 -0.37 -4.68 121.20 116.20 1brk s ILE 76 Ca 0.49 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 1brk s ILE 76 Cb -0.32 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1brk s ILE 76 CO 0.39 0.44 0.00 0.59 -1.23 0.00 0.00 174.94 175.14 1brk n ASN 77 N 2.01 -4.50 -4.75 3.58 3.02 0.04 -4.58 115.26 110.08 1brk n ASN 77 Ca -0.17 0.28 -0.40 0.00 -0.03 0.00 0.00 54.58 54.26 1brk n ASN 77 Cb 0.52 -2.98 -0.05 0.00 -0.61 0.00 0.00 39.78 36.65 1brk n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1brk s TYR 78 N -2.36 3.84 0.00 3.10 5.04 -1.26 -4.94 117.35 120.78 1brk s TYR 78 Ca 0.00 1.68 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 1brk s TYR 78 Cb 0.00 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 39.41 1brk s TYR 78 CO 0.00 0.35 0.00 0.25 -1.34 0.00 0.00 175.55 174.81 1brk n THR 79 N 2.28 0.00 -3.60 4.34 -2.24 -1.26 -4.96 114.28 108.84 1brk n THR 79 Ca -0.02 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.70 1brk n THR 79 Cb 0.49 -1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 67.67 1brk n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1brk s SER 80 N -4.97 -0.28 0.00 3.42 1.04 -1.26 -4.73 113.70 106.91 1brk s SER 80 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1brk s SER 80 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1brk s SER 80 CO 0.00 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1brk n GLY 81 N -0.33 -1.01 3.71 7.32 0.00 -1.25 -4.92 105.19 108.71 1brk n GLY 81 Ca -0.08 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 1brk n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1brk s PHE 82 N 0.00 1.96 0.58 1.61 0.08 -1.25 -4.39 117.98 116.56 1brk s PHE 82 Ca 0.00 1.66 -0.19 0.00 0.12 0.00 0.00 56.93 58.52 1brk s PHE 82 Cb 0.00 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 1brk s PHE 82 CO 0.00 -2.59 1.20 1.03 -0.10 0.00 0.00 175.22 174.76 1brk s ARG 83 N -4.28 3.07 0.00 0.44 0.52 -1.26 -5.00 118.95 112.44 1brk s ARG 83 Ca 0.70 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.72 1brk s ARG 83 Cb -0.26 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1brk s ARG 83 CO 0.51 -1.12 0.00 0.27 0.02 0.00 0.00 175.30 174.97 1brk n ASN 84 N -1.48 0.00 -0.78 0.23 0.23 -1.26 -5.04 115.26 107.16 1brk n ASN 84 Ca 0.13 -0.47 0.07 0.00 -0.53 0.00 0.00 54.58 53.78 1brk n ASN 84 Cb 0.50 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.36 1brk n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1brk n SER 85 N -1.42 2.98 -4.66 0.53 3.41 -1.26 -4.95 113.62 108.25 1brk n SER 85 Ca 0.00 -1.91 -0.37 0.00 -0.26 0.00 0.00 58.87 56.33 1brk n SER 85 Cb 0.00 -0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 63.63 1brk n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1brk s ASP 86 N -1.05 6.25 0.00 4.04 1.01 -1.26 -1.80 116.67 123.86 1brk s ASP 86 Ca 0.27 0.29 -0.01 0.00 0.71 0.00 0.00 52.55 53.81 1brk s ASP 86 Cb 0.15 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 1brk s ASP 86 CO 0.20 -0.01 0.02 -0.13 0.21 0.00 0.00 175.17 175.46 1brk s ARG 87 N 1.22 0.19 -0.20 8.23 1.81 -0.74 -1.24 118.95 128.22 1brk s ARG 87 Ca 0.13 -0.26 -0.09 0.00 -1.72 0.00 0.00 55.73 53.78 1brk s ARG 87 Cb -0.14 0.07 -0.05 0.00 -0.45 0.00 0.00 34.95 34.38 1brk s ARG 87 CO 0.06 -0.03 0.12 -1.50 -0.68 0.00 0.00 175.30 173.26 1brk s ILE 88 N -0.71 5.24 -0.20 1.52 2.07 -0.65 -1.13 121.20 127.34 1brk s ILE 88 Ca -0.08 0.13 -0.05 0.00 -1.41 0.00 0.00 60.65 59.25 1brk s ILE 88 Cb -0.05 -3.39 -0.02 0.00 0.13 0.00 0.00 42.46 39.13 1brk s ILE 88 CO -0.00 0.43 -0.01 -0.76 -1.91 0.00 0.00 174.94 172.69 1brk s LEU 89 N 0.45 3.15 0.01 8.50 2.01 0.58 -1.60 118.68 131.77 1brk s LEU 89 Ca 0.07 -0.25 0.03 0.00 0.01 0.00 0.00 54.13 53.99 1brk s LEU 89 Cb -0.12 -1.80 -0.01 0.00 0.01 0.00 0.00 46.19 44.27 1brk s LEU 89 CO -0.01 0.04 -0.10 -0.72 1.01 0.00 0.00 176.35 176.58 1brk s TYR 90 N 1.11 0.90 0.50 0.29 1.13 0.08 -0.51 117.35 120.86 1brk s TYR 90 Ca 0.02 -0.22 0.06 0.00 -1.41 0.00 0.00 57.07 55.52 1brk s TYR 90 Cb -0.14 -0.57 0.04 0.00 -1.10 0.00 0.00 41.96 40.19 1brk s TYR 90 CO 0.01 -0.01 0.68 -1.54 -2.51 0.00 0.00 175.55 172.18 1brk s SER 91 N -0.51 5.39 0.47 -0.18 1.04 -1.04 -0.34 113.70 118.53 1brk s SER 91 Ca 0.02 -0.40 0.32 0.00 0.48 0.00 0.00 55.95 56.37 1brk s SER 91 Cb -0.05 -0.49 1.55 0.00 0.10 0.00 0.00 66.02 67.13 1brk s SER 91 CO 0.00 -1.02 1.96 0.77 0.98 0.00 0.00 173.24 175.93 1brk h SER 92 N 0.35 0.00 -0.48 7.02 4.64 -1.27 -1.00 113.55 122.81 1brk h SER 92 Ca -0.38 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.77 1brk h SER 92 Cb 1.28 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.28 1brk h SER 92 CO 0.46 0.00 0.11 -0.90 -0.87 0.00 0.00 176.83 175.62 1brk n ASP 93 N -2.71 3.69 -3.14 4.97 5.75 -1.26 -4.96 116.55 118.89 1brk n ASP 93 Ca -0.01 -3.37 -0.23 0.00 -0.01 0.00 0.00 54.79 51.18 1brk n ASP 93 Cb 0.16 -0.66 0.03 0.00 -1.03 0.00 0.00 41.12 39.62 1brk n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1brk n TRP 94 N -0.67 -1.99 -1.77 2.11 7.02 -0.38 -5.03 117.44 116.74 1brk n TRP 94 Ca 0.34 0.54 -0.31 0.00 -1.02 0.00 0.00 57.50 57.05 1brk n TRP 94 Cb 1.14 -4.18 0.03 0.00 -2.42 0.00 0.00 31.31 25.88 1brk n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1brk s LEU 95 N -6.69 3.23 -0.02 -0.99 1.43 -1.26 -4.85 118.68 109.54 1brk s LEU 95 Ca 0.35 1.57 -0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1brk s LEU 95 Cb -0.16 -4.49 0.03 0.00 0.03 0.00 0.00 46.19 41.59 1brk s LEU 95 CO 0.43 -1.17 0.03 0.00 0.23 0.00 0.00 176.35 175.87 1brk s ALA 96 N -3.00 0.06 0.06 4.21 0.00 -0.68 -2.50 121.76 119.90 1brk s ALA 96 Ca 0.58 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.88 1brk s ALA 96 Cb -0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1brk s ALA 96 CO 0.51 -0.09 -0.20 0.71 0.00 0.00 0.00 175.76 176.68 1brk s TYR 97 N 0.90 1.78 0.17 0.00 1.51 0.34 -0.55 117.35 121.49 1brk s TYR 97 Ca -0.07 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.68 1brk s TYR 97 Cb -0.11 -1.03 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 1brk s TYR 97 CO -0.03 0.13 -0.12 -1.59 -1.11 0.00 0.00 175.55 172.84 1brk s LYS 98 N -1.45 1.98 0.00 -0.62 -2.85 0.15 -0.31 119.74 116.65 1brk s LYS 98 Ca 0.07 -1.26 0.03 0.00 -1.00 0.00 0.00 55.97 53.81 1brk s LYS 98 Cb -0.09 -2.14 -0.01 0.00 -2.06 0.00 0.00 37.83 33.53 1brk s LYS 98 CO 0.03 0.44 -0.10 -0.08 0.10 0.00 0.00 175.35 175.74 1brk s THR 99 N -1.58 0.75 0.00 3.79 -1.32 -0.28 -1.34 115.64 115.66 1brk s THR 99 Ca 0.23 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 1brk s THR 99 Cb -0.09 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 1brk s THR 99 CO 0.14 0.13 0.76 0.35 -2.21 0.00 0.00 174.62 173.79 1brk n THR 100 N 2.63 0.57 -2.58 5.08 -2.24 -1.26 -1.79 114.28 114.70 1brk n THR 100 Ca -0.15 -0.64 -0.11 0.00 -2.27 0.00 0.00 64.05 60.89 1brk n THR 100 Cb 0.56 0.77 0.03 0.00 -2.10 0.00 0.00 70.33 69.59 1brk n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1brk n ASP 101 N -0.29 2.63 -3.51 3.42 5.68 -1.15 -4.53 116.55 118.80 1brk n ASP 101 Ca 0.00 -2.79 -0.19 0.00 -0.50 0.00 0.00 54.79 51.31 1brk n ASP 101 Cb 0.28 -0.46 0.08 0.00 -1.14 0.00 0.00 41.12 39.87 1brk n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1brk n HIS 102 N -0.45 -2.28 -1.51 2.11 8.25 -0.75 -3.17 115.22 117.43 1brk n HIS 102 Ca 0.19 0.94 -0.14 0.00 -0.26 0.00 0.00 57.72 58.45 1brk n HIS 102 Cb 0.82 -4.95 -0.05 0.00 1.12 0.00 0.00 29.99 26.93 1brk n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1brk n TYR 103 N -4.32 -0.08 -0.01 4.41 4.01 -1.26 -4.90 117.16 115.01 1brk n TYR 103 Ca -0.23 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.32 1brk n TYR 103 Cb 0.65 -2.57 -0.14 0.00 -0.31 0.00 0.00 39.34 36.97 1brk n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1brk h GLN 104 N 0.00 0.16 -5.29 -0.72 4.20 -1.96 -3.47 115.11 108.04 1brk h GLN 104 Ca -0.29 -0.28 -0.39 0.00 0.06 0.00 0.00 58.65 57.74 1brk h GLN 104 Cb 0.96 0.10 -0.20 0.00 0.30 0.00 0.00 27.48 28.64 1brk h GLN 104 CO 0.42 1.13 -0.76 0.95 -0.67 0.00 0.00 178.83 179.90 1brk s THR 105 N -2.37 1.14 0.15 -0.54 -4.23 -1.26 -5.09 115.64 103.44 1brk s THR 105 Ca -0.18 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 1brk s THR 105 Cb 0.01 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 1brk s THR 105 CO 0.75 -0.35 -0.12 -0.36 -0.54 0.00 0.00 174.62 174.00 1brk s PHE 106 N -1.76 1.35 -0.02 3.99 0.08 -1.26 -4.43 117.98 115.93 1brk s PHE 106 Ca 0.03 -0.69 0.01 0.00 0.12 0.00 0.00 56.93 56.40 1brk s PHE 106 Cb -0.07 -0.68 0.01 0.00 -0.57 0.00 0.00 43.02 41.71 1brk s PHE 106 CO 0.02 0.14 -0.03 0.99 -0.10 0.00 0.00 175.22 176.24 1brk s THR 107 N -3.01 0.30 0.09 0.64 2.01 -0.45 -4.94 115.64 110.29 1brk s THR 107 Ca 0.16 -0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.78 1brk s THR 107 Cb 0.00 -0.32 -0.07 0.00 0.01 0.00 0.00 72.50 72.13 1brk s THR 107 CO 0.02 0.13 1.35 -0.75 -0.69 0.00 0.00 174.62 174.68 1brk s LYS 108 N 0.47 4.34 0.00 4.92 2.20 -1.26 0.31 119.74 130.72 1brk s LYS 108 Ca -0.05 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.56 1brk s LYS 108 Cb -0.08 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1brk s LYS 108 CO -0.01 -0.42 0.00 0.44 -0.36 0.00 0.00 175.35 175.01 1brk n ILE 109 N 4.03 0.00 -1.43 5.43 -5.35 0.28 -4.89 119.36 117.43 1brk n ILE 109 Ca 0.11 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1brk n ILE 109 Cb 0.43 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 1brk n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33