#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1brk s ILE 4 N 0.00 5.12 0.00 1.34 1.01 -1.26 -4.88 121.20 122.53 1brk s ILE 4 Ca 0.00 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1brk s ILE 4 Cb 0.00 -4.08 0.06 0.00 0.01 0.00 0.00 42.46 38.45 1brk s ILE 4 CO 0.00 -0.50 0.97 -0.46 0.00 0.00 0.00 174.94 174.95 1brk n ASN 5 N 5.52 0.12 -4.92 3.58 6.94 -1.26 -4.78 115.26 120.46 1brk n ASN 5 Ca -0.09 -1.89 -0.29 0.00 -0.02 0.00 0.00 54.58 52.29 1brk n ASN 5 Cb 0.46 -0.18 -0.04 0.00 -2.36 0.00 0.00 39.78 37.66 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 5.28 0.15 5.53 -4.23 -1.26 -0.32 115.64 120.79 1brk s THR 6 Ca 0.05 -0.33 -0.18 0.00 -1.18 0.00 0.00 61.69 60.05 1brk s THR 6 Cb 0.06 -3.67 0.05 0.00 1.34 0.00 0.00 72.50 70.28 1brk s THR 6 CO -0.02 0.01 1.68 -0.26 -0.54 0.00 0.00 174.62 175.49 1brk h PHE 7 N 2.62 -0.15 -0.14 3.99 0.04 -1.98 0.15 116.94 121.48 1brk h PHE 7 Ca -0.46 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.30 1brk h PHE 7 Cb 1.17 0.12 -0.00 0.00 2.20 0.00 0.00 35.95 39.44 1brk h PHE 7 CO 0.59 -0.13 -0.05 -0.44 -0.60 0.00 0.00 178.31 177.67 1brk h ASP 8 N 0.02 0.28 0.12 2.17 3.32 -1.98 0.58 116.42 120.93 1brk h ASP 8 Ca 0.16 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1brk h ASP 8 Cb 0.24 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1brk h ASP 8 CO -0.33 0.61 -0.30 1.23 -1.72 0.00 0.00 179.24 178.73 1brk h GLY 9 N -0.05 -0.56 0.84 2.75 0.00 -1.91 0.15 103.07 104.30 1brk h GLY 9 Ca 0.03 0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1brk h GLY 9 CO 0.02 -0.24 0.04 -2.08 0.00 0.00 0.00 176.54 174.28 1brk h VAL 10 N -0.52 1.21 -0.51 4.60 2.07 -0.72 -0.85 116.25 121.53 1brk h VAL 10 Ca 0.03 -0.66 0.10 0.00 0.82 0.00 0.00 66.70 67.00 1brk h VAL 10 Cb 0.55 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.51 1brk h VAL 10 CO -0.17 0.20 -0.14 0.00 0.02 0.00 0.00 177.57 177.48 1brk h ALA 11 N 0.85 0.32 -0.48 1.67 0.00 -0.61 -1.10 119.26 119.91 1brk h ALA 11 Ca 0.06 0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1brk h ALA 11 Cb 0.27 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1brk h ALA 11 CO 0.00 -0.45 -0.10 -0.44 0.00 0.00 0.00 179.25 178.26 1brk h ASP 12 N -0.01 0.87 -0.41 0.00 3.32 -0.54 -3.00 116.42 116.65 1brk h ASP 12 Ca 0.25 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1brk h ASP 12 Cb 0.39 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1brk h ASP 12 CO -0.53 0.99 -0.05 0.22 -1.72 0.00 0.00 179.24 178.14 1brk h TYR 13 N 0.79 0.90 0.07 4.55 5.03 -0.53 -3.06 116.97 124.72 1brk h TYR 13 Ca 0.13 -0.15 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 1brk h TYR 13 Cb 0.62 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.66 1brk h TYR 13 CO 0.04 0.85 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.63 1brk h LEU 14 N 0.76 -0.08 -1.97 2.82 3.38 -1.18 -1.77 115.31 117.27 1brk h LEU 14 Ca 0.14 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1brk h LEU 14 Cb 0.54 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1brk h LEU 14 CO 0.03 0.05 -0.09 1.56 0.09 0.00 0.00 178.44 180.08 1brk h GLN 15 N -0.21 0.00 0.00 1.13 4.20 -1.49 0.63 115.11 119.37 1brk h GLN 15 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1brk h GLN 15 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1brk h GLN 15 CO 0.02 0.09 -0.64 1.15 -0.67 0.00 0.00 178.83 178.77 1brk h THR 16 N 0.00 0.29 0.00 -0.54 2.02 -1.50 -3.42 112.91 109.75 1brk h THR 16 Ca -0.00 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1brk h THR 16 Cb 0.18 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1brk h THR 16 CO 0.01 0.10 -0.76 -1.22 0.37 0.00 0.00 175.52 174.02 1brk n TYR 17 N -4.58 0.42 -3.72 3.16 4.01 -0.67 -5.02 117.16 110.76 1brk n TYR 17 Ca -0.13 0.12 -0.24 0.00 -0.16 0.00 0.00 57.90 57.49 1brk n TYR 17 Cb 0.36 -0.56 0.04 0.00 -0.31 0.00 0.00 39.34 38.87 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 -2.03 -2.21 -3.54 -0.72 8.25 0.21 -4.98 115.22 110.20 1brk n HIS 18 Ca 0.03 0.90 -0.08 0.00 -0.26 0.00 0.00 57.72 58.31 1brk n HIS 18 Cb 0.43 -4.44 -0.03 0.00 1.12 0.00 0.00 29.99 27.07 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 -6.15 0.65 0.56 -0.41 -2.85 -1.26 -5.06 119.74 105.22 1brk s LYS 19 Ca 0.29 -0.17 -0.16 0.00 -1.00 0.00 0.00 55.97 54.94 1brk s LYS 19 Cb -0.14 0.30 -0.06 0.00 -2.06 0.00 0.00 37.83 35.87 1brk s LYS 19 CO 0.80 -0.27 1.02 -0.51 0.10 0.00 0.00 175.35 176.49 1brk s LEU 20 N -2.13 3.53 0.95 2.77 1.43 -1.26 -4.09 118.68 119.89 1brk s LEU 20 Ca 0.05 1.67 -0.10 0.00 -1.03 0.00 0.00 54.13 54.71 1brk s LEU 20 Cb -0.01 -4.52 0.17 0.00 0.03 0.00 0.00 46.19 41.86 1brk s LEU 20 CO -0.06 -0.88 1.13 -2.84 0.23 0.00 0.00 176.35 173.93 1brk s PRO 21 N -4.16 0.73 0.00 1.29 0.02 -1.26 -4.89 135.00 126.72 1brk s PRO 21 Ca 0.61 1.42 0.15 0.00 0.02 0.00 0.00 61.00 63.20 1brk s PRO 21 Cb -0.13 -1.70 0.88 0.00 0.02 0.00 0.00 34.50 33.57 1brk s PRO 21 CO 0.36 -2.79 1.32 -0.25 -0.33 0.00 0.00 177.00 175.31 1brk n ASP 22 N -4.33 0.00 -0.47 2.53 8.00 -1.26 -2.43 116.55 118.59 1brk n ASP 22 Ca 0.10 -0.42 0.04 0.00 0.71 0.00 0.00 54.79 55.22 1brk n ASP 22 Cb 0.52 -0.03 0.11 0.00 -0.02 0.00 0.00 41.12 41.71 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 -1.03 1.36 -4.69 -2.24 6.94 -1.26 -4.88 115.26 109.46 1brk n ASN 23 Ca 0.11 -2.01 -0.33 0.00 -0.02 0.00 0.00 54.58 52.33 1brk n ASN 23 Cb 0.06 -0.18 -0.09 0.00 -2.36 0.00 0.00 39.78 37.21 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 -1.67 3.10 0.01 -2.53 2.02 -1.02 -1.33 117.35 115.94 1brk s TYR 24 Ca 0.16 0.10 -0.00 0.00 -0.37 0.00 0.00 57.07 56.96 1brk s TYR 24 Cb 0.09 -1.69 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 1brk s TYR 24 CO 0.11 0.47 -0.02 0.96 -1.57 0.00 0.00 175.55 175.50 1brk s ILE 25 N -1.07 0.08 0.84 2.71 -4.36 -0.51 -4.88 121.20 114.02 1brk s ILE 25 Ca 0.19 -0.66 -0.12 0.00 -0.26 0.00 0.00 60.65 59.80 1brk s ILE 25 Cb -0.12 -0.20 0.10 0.00 1.25 0.00 0.00 42.46 43.49 1brk s ILE 25 CO 0.09 -0.37 1.10 0.42 0.24 0.00 0.00 174.94 176.43 1brk s THR 26 N -1.07 2.81 0.23 8.37 -4.23 -1.21 -0.76 115.64 119.78 1brk s THR 26 Ca -0.12 0.26 -0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1brk s THR 26 Cb -0.07 -2.93 0.20 0.00 1.34 0.00 0.00 72.50 71.04 1brk s THR 26 CO -0.01 -0.35 1.86 0.11 -0.54 0.00 0.00 174.62 175.70 1brk h LYS 27 N -1.28 1.22 -0.17 3.99 1.57 -1.96 -1.60 116.57 118.34 1brk h LYS 27 Ca -0.48 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.05 1brk h LYS 27 Cb 1.28 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1brk h LYS 27 CO 0.58 0.88 -0.39 0.66 -0.57 0.00 0.00 179.45 180.61 1brk h SER 28 N 1.23 0.39 -0.47 0.86 4.64 -2.00 -0.42 113.55 117.79 1brk h SER 28 Ca 0.31 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1brk h SER 28 Cb -0.01 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1brk h SER 28 CO -0.05 0.75 0.03 -0.33 -0.87 0.00 0.00 176.83 176.36 1brk h GLU 29 N 0.32 0.80 -0.58 4.77 5.08 -1.83 -2.59 114.58 120.55 1brk h GLU 29 Ca 0.03 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 1brk h GLU 29 Cb 0.83 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1brk h GLU 29 CO 0.07 0.84 0.09 0.00 -1.00 0.00 0.00 179.01 179.01 1brk h ALA 30 N 0.93 0.77 -0.59 3.43 0.00 -1.07 -2.90 119.26 119.83 1brk h ALA 30 Ca 0.14 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1brk h ALA 30 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1brk h ALA 30 CO 0.02 0.52 0.39 1.96 0.00 0.00 0.00 179.25 182.14 1brk h GLN 31 N 0.86 0.71 0.00 0.00 4.20 -0.84 -1.51 115.11 118.53 1brk h GLN 31 Ca 0.18 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1brk h GLN 31 Cb 0.42 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1brk h GLN 31 CO 0.01 0.47 -0.18 0.00 -0.67 0.00 0.00 178.83 178.46 1brk h ALA 32 N 1.65 1.15 -0.02 3.87 0.00 -1.30 -2.61 119.26 121.99 1brk h ALA 32 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1brk h ALA 32 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1brk h ALA 32 CO -0.06 0.23 -0.06 1.28 0.00 0.00 0.00 179.25 180.64 1brk n LEU 33 N -3.52 1.80 0.00 0.00 4.77 -0.70 -4.93 117.00 114.43 1brk n LEU 33 Ca -0.01 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1brk n LEU 33 Cb 0.34 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1brk n LEU 33 CO 0.32 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1brk n GLY 34 N 1.25 0.92 3.70 -0.72 0.00 -0.98 -4.90 105.19 104.46 1brk n GLY 34 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 2.51 -0.32 1.61 -0.00 -0.65 -4.98 118.94 115.12 1brk s TRP 35 Ca 0.00 0.30 0.03 0.00 -0.00 0.00 0.00 56.10 56.43 1brk s TRP 35 Cb 0.00 -4.02 0.09 0.00 -0.00 0.00 0.00 33.47 29.54 1brk s TRP 35 CO 0.00 -4.05 0.04 0.08 -0.00 0.00 0.00 176.95 173.02 1brk s VAL 36 N 2.27 1.90 0.26 5.86 1.01 -1.26 -4.44 120.40 126.00 1brk s VAL 36 Ca 0.75 -1.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 1brk s VAL 36 Cb -0.43 -2.36 0.28 0.00 0.00 0.00 0.00 36.38 33.87 1brk s VAL 36 CO 0.33 -0.52 1.66 0.00 0.00 0.00 0.00 175.10 176.57 1brk h ALA 37 N 7.76 1.04 0.00 5.51 0.00 -1.99 -0.92 119.26 130.66 1brk h ALA 37 Ca -0.09 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1brk h ALA 37 Cb 1.03 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1brk h ALA 37 CO 0.49 -0.41 -0.02 0.77 0.00 0.00 0.00 179.25 180.09 1brk h SER 38 N 0.21 0.00 0.00 0.00 0.02 -2.03 -2.47 113.55 109.28 1brk h SER 38 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1brk h SER 38 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1brk h SER 38 CO -0.61 0.02 -1.32 0.29 -1.14 0.00 0.00 176.83 174.06 1brk n LYS 39 N -3.30 0.33 -3.77 3.45 5.02 -0.38 -5.04 118.16 114.48 1brk n LYS 39 Ca -0.02 -0.07 -0.27 0.00 -2.02 0.00 0.00 58.31 55.93 1brk n LYS 39 Cb 0.12 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.42 -0.49 1.80 0.72 0.00 -0.93 -4.89 105.19 102.82 1brk n GLY 40 Ca 0.01 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.93 5.44 -0.29 1.61 6.94 -1.26 -3.67 115.26 121.11 1brk n ASN 41 Ca -0.02 -2.78 0.06 0.00 -0.02 0.00 0.00 54.58 51.82 1brk n ASN 41 Cb 0.56 -0.65 0.21 0.00 -2.36 0.00 0.00 39.78 37.54 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 4.04 0.50 -1.91 -4.53 5.85 -1.89 0.25 115.31 117.62 1brk h LEU 42 Ca 0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1brk h LEU 42 Cb 1.82 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 1brk h LEU 42 CO 0.41 0.22 -0.11 0.00 -0.34 0.00 0.00 178.44 178.62 1brk h ALA 43 N 1.54 1.60 0.08 1.25 0.00 -1.83 0.19 119.26 122.10 1brk h ALA 43 Ca 0.44 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 55.00 1brk h ALA 43 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1brk h ALA 43 CO -0.35 0.14 -1.12 -0.44 0.00 0.00 0.00 179.25 177.48 1brk h ASP 44 N 0.00 0.47 0.00 0.00 3.32 -1.30 -3.17 116.42 115.75 1brk h ASP 44 Ca -0.00 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1brk h ASP 44 Cb 0.22 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1brk h ASP 44 CO 0.01 1.30 -1.25 1.33 -1.72 0.00 0.00 179.24 178.92 1brk n VAL 45 N -3.63 0.00 -3.05 -1.35 0.24 -0.96 -4.68 118.33 104.90 1brk n VAL 45 Ca -0.08 -0.19 -0.18 0.00 -2.04 0.00 0.00 64.34 61.85 1brk n VAL 45 Cb 0.94 0.66 -0.02 0.00 -1.47 0.00 0.00 33.84 33.95 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 -1.71 1.23 -1.61 2.33 0.00 0.64 -4.94 120.51 116.45 1brk n ALA 46 Ca 0.01 -2.80 -0.49 0.00 0.00 0.00 0.00 53.44 50.16 1brk n ALA 46 Cb 0.37 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 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 1.10 1.43 -0.92 0.00 -0.02 -1.20 -2.00 135.00 133.39 1brk n PRO 47 Ca 0.18 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1brk n PRO 47 Cb 0.60 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.41 0.59 3.94 -1.23 0.00 -1.26 -5.02 105.19 104.61 1brk n GLY 48 Ca 0.16 0.00 -0.25 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 -0.37 3.51 0.10 1.61 -0.14 -0.85 -4.83 119.74 118.77 1brk s LYS 49 Ca 0.00 -0.34 0.04 0.00 -1.36 0.00 0.00 55.97 54.32 1brk s LYS 49 Cb 0.00 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.39 1brk s LYS 49 CO 0.00 0.25 -0.11 -1.12 -0.76 0.00 0.00 175.35 173.61 1brk s SER 50 N -3.71 1.52 0.01 2.83 0.01 -0.44 -4.87 113.70 109.06 1brk s SER 50 Ca 0.39 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.56 1brk s SER 50 Cb -0.10 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 1brk s SER 50 CO 0.33 -0.23 1.18 -0.63 0.41 0.00 0.00 173.24 174.29 1brk s ILE 51 N -2.30 4.20 -0.18 1.44 -1.09 -1.26 -1.42 121.20 120.59 1brk s ILE 51 Ca 0.05 1.57 -0.31 0.00 -2.23 0.00 0.00 60.65 59.73 1brk s ILE 51 Cb -0.04 -4.00 0.14 0.00 -1.58 0.00 0.00 42.46 36.98 1brk s ILE 51 CO 0.01 0.08 1.14 -0.83 -1.23 0.00 0.00 174.94 174.10 1brk s GLY 52 N 1.21 -0.20 0.00 6.18 0.00 0.06 -1.04 107.32 113.53 1brk s GLY 52 Ca 0.57 2.02 0.00 0.00 0.00 0.00 0.00 44.72 47.31 1brk s GLY 52 CO 0.26 0.85 0.00 0.61 0.00 0.00 0.00 173.10 174.82 1brk n GLY 53 N 0.36 1.09 3.83 0.20 0.00 0.15 -3.34 105.19 107.48 1brk n GLY 53 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.82 6.47 0.26 1.61 1.01 -1.24 -4.75 116.67 118.22 1brk s ASP 54 Ca 0.00 1.64 -0.30 0.00 0.71 0.00 0.00 52.55 54.61 1brk s ASP 54 Cb 0.00 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.31 1brk s ASP 54 CO 0.00 -0.69 1.39 -0.63 0.21 0.00 0.00 175.17 175.45 1brk s ILE 55 N -2.53 2.76 -0.25 0.77 -1.09 -1.26 -1.86 121.20 117.74 1brk s ILE 55 Ca 0.60 0.66 -0.02 0.00 -2.23 0.00 0.00 60.65 59.67 1brk s ILE 55 Cb -0.11 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.37 1brk s ILE 55 CO 0.30 0.12 -0.06 0.12 -1.23 0.00 0.00 174.94 174.19 1brk s PHE 56 N -0.28 3.05 0.19 3.97 2.19 0.94 -4.85 117.98 123.19 1brk s PHE 56 Ca 0.56 -1.49 -0.15 0.00 0.33 0.00 0.00 56.93 56.18 1brk s PHE 56 Cb -0.40 -2.07 0.19 0.00 -1.31 0.00 0.00 43.02 39.43 1brk s PHE 56 CO 0.45 -0.71 1.30 0.45 1.83 0.00 0.00 175.22 178.54 1brk n SER 57 N 4.68 -0.57 -2.51 6.13 2.88 -1.26 -4.32 113.62 118.66 1brk n SER 57 Ca -0.17 1.47 -0.21 0.00 -1.33 0.00 0.00 58.87 58.63 1brk n SER 57 Cb 0.47 -0.33 0.01 0.00 -0.75 0.00 0.00 64.21 63.61 1brk n SER 57 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1brk n ASN 58 N -5.22 -5.82 -0.13 -3.46 5.15 -1.26 -4.88 115.26 99.63 1brk n ASN 58 Ca 0.08 -0.11 -0.04 0.00 -0.60 0.00 0.00 54.58 53.91 1brk n ASN 58 Cb 0.33 -4.77 0.04 0.00 -0.53 0.00 0.00 39.78 34.85 1brk n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1brk h ARG 59 N -0.49 0.14 -0.45 1.20 -0.00 -2.00 -0.04 114.38 112.75 1brk h ARG 59 Ca -0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 1brk h ARG 59 Cb 1.35 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.29 1brk h ARG 59 CO 0.56 0.09 0.00 0.39 -0.00 0.00 0.00 179.97 181.01 1brk n GLU 60 N -5.17 0.87 -4.29 0.08 1.02 -1.26 -4.86 120.64 107.03 1brk n GLU 60 Ca 0.03 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.80 1brk n GLU 60 Cb 0.22 -1.23 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 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 0.21 -0.43 0.11 0.62 0.00 -0.03 -4.87 105.19 100.80 1brk n GLY 61 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.10 0.00 -5.92 1.61 1.57 -1.89 -3.44 116.57 107.40 1brk h LYS 62 Ca -0.57 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.59 1brk h LYS 62 Cb 1.37 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.63 1brk h LYS 62 CO 0.80 0.73 -0.38 -0.51 -0.57 0.00 0.00 179.45 179.52 1brk s LEU 63 N -6.77 4.37 0.13 2.94 1.43 -1.26 -5.00 118.68 114.52 1brk s LEU 63 Ca 0.02 0.56 -0.31 0.00 -1.03 0.00 0.00 54.13 53.36 1brk s LEU 63 Cb 0.10 -2.70 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 1brk s LEU 63 CO 0.78 0.24 1.52 -2.16 0.23 0.00 0.00 176.35 176.96 1brk s PRO 64 N -1.80 4.25 0.57 1.29 0.04 -1.26 -5.01 135.00 133.07 1brk s PRO 64 Ca 0.28 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1brk s PRO 64 Cb -0.13 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.18 1brk s PRO 64 CO 0.17 -0.57 0.80 0.20 0.04 0.00 0.00 177.00 177.64 1brk s GLY 65 N 1.34 1.80 0.00 0.56 0.00 -1.26 -5.09 107.32 104.67 1brk s GLY 65 Ca 0.69 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1brk s GLY 65 CO 0.31 -0.96 0.00 1.17 0.00 0.00 0.00 173.10 173.62 1brk n LYS 66 N -2.41 0.00 -1.62 2.90 4.81 -1.26 -5.05 118.16 115.52 1brk n LYS 66 Ca 0.08 0.00 -0.49 0.00 -0.87 0.00 0.00 58.31 57.03 1brk n LYS 66 Cb 0.60 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.60 1brk n LYS 66 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1brk n SER 67 N 0.00 2.22 0.00 3.14 7.64 -1.26 0.14 113.62 125.49 1brk n SER 67 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1brk n SER 67 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1brk n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1brk n GLY 68 N 2.77 1.08 3.71 0.23 0.00 -1.26 -5.02 105.19 106.70 1brk n GLY 68 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.34 4.33 -0.01 1.61 3.52 0.36 -4.90 118.95 123.52 1brk s ARG 69 Ca 0.00 0.50 0.07 0.00 -0.13 0.00 0.00 55.73 56.17 1brk s ARG 69 Cb 0.00 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 1brk s ARG 69 CO 0.00 0.10 -0.23 0.99 -0.81 0.00 0.00 175.30 175.35 1brk s THR 70 N 0.81 2.35 -0.12 4.11 2.01 -1.26 -4.76 115.64 118.77 1brk s THR 70 Ca 0.27 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 1brk s THR 70 Cb -0.15 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1brk s THR 70 CO 0.11 0.51 -0.04 0.26 -0.69 0.00 0.00 174.62 174.77 1brk s TRP 71 N -0.71 3.03 0.25 4.92 0.52 -1.26 -1.28 118.94 124.40 1brk s TRP 71 Ca 0.11 -0.14 0.08 0.00 0.02 0.00 0.00 56.10 56.17 1brk s TRP 71 Cb -0.10 -1.87 -0.05 0.00 -1.15 0.00 0.00 33.47 30.30 1brk s TRP 71 CO 0.01 0.14 -0.13 1.03 0.02 0.00 0.00 176.95 178.02 1brk s ARG 72 N -0.12 1.48 0.16 4.98 0.52 0.23 -0.04 118.95 126.16 1brk s ARG 72 Ca 0.03 -1.70 0.07 0.00 -0.52 0.00 0.00 55.73 53.61 1brk s ARG 72 Cb -0.13 -1.28 -0.04 0.00 0.52 0.00 0.00 34.95 34.02 1brk s ARG 72 CO 0.02 0.16 -0.15 -1.83 0.02 0.00 0.00 175.30 173.53 1brk s GLU 73 N -3.64 1.17 -0.10 3.54 -1.05 -0.78 -1.37 118.70 116.48 1brk s GLU 73 Ca 0.26 -1.40 -0.14 0.00 -0.15 0.00 0.00 54.97 53.55 1brk s GLU 73 Cb -0.00 -1.04 0.03 0.00 -0.44 0.00 0.00 34.13 32.68 1brk s GLU 73 CO 0.10 0.19 0.35 0.00 0.95 0.00 0.00 175.26 176.85 1brk s ALA 74 N -2.46 -0.87 0.34 -0.84 0.00 -0.21 0.33 121.76 118.04 1brk s ALA 74 Ca 0.15 0.80 -0.26 0.00 0.00 0.00 0.00 51.96 52.65 1brk s ALA 74 Cb -0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 1brk s ALA 74 CO 0.05 -0.20 1.05 -0.51 0.00 0.00 0.00 175.76 176.14 1brk s ASP 75 N -0.31 7.04 0.09 0.00 1.11 -0.21 -0.04 116.67 124.35 1brk s ASP 75 Ca -0.04 2.09 0.09 0.00 0.18 0.00 0.00 52.55 54.87 1brk s ASP 75 Cb -0.03 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1brk s ASP 75 CO 0.02 -0.29 -0.23 -0.63 1.18 0.00 0.00 175.17 175.21 1brk s ILE 76 N -1.46 1.93 -1.76 0.77 -1.09 -0.59 -4.71 121.20 114.29 1brk s ILE 76 Ca 0.51 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.43 1brk s ILE 76 Cb -0.25 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.92 1brk s ILE 76 CO 0.32 0.11 0.00 0.59 -1.23 0.00 0.00 174.94 174.73 1brk n ASN 77 N 1.30 -5.06 -4.73 3.58 3.02 0.56 -4.60 115.26 109.32 1brk n ASN 77 Ca -0.18 0.41 -0.40 0.00 -0.03 0.00 0.00 54.58 54.38 1brk n ASN 77 Cb 0.53 -4.02 -0.05 0.00 -0.61 0.00 0.00 39.78 35.63 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 -2.59 3.66 0.00 3.10 5.04 -1.26 -4.96 117.35 120.34 1brk s TYR 78 Ca 0.00 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.98 1brk s TYR 78 Cb 0.00 -2.79 0.00 0.00 0.35 0.00 0.00 41.96 39.52 1brk s TYR 78 CO 0.00 0.20 0.00 0.25 -1.34 0.00 0.00 175.55 174.66 1brk n THR 79 N 3.23 0.00 -3.53 4.34 -2.24 -1.26 -4.91 114.28 109.92 1brk n THR 79 Ca -0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1brk n THR 79 Cb 0.51 -1.37 -0.02 0.00 -2.10 0.00 0.00 70.33 67.35 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 -4.90 -0.45 0.00 3.42 1.04 -1.26 -4.76 113.70 106.79 1brk s SER 80 Ca 0.00 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1brk s SER 80 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1brk s SER 80 CO 0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1brk n GLY 81 N -0.36 -1.35 3.76 7.32 0.00 -1.24 -4.92 105.19 108.39 1brk n GLY 81 Ca -0.12 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 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 2.45 0.65 1.61 0.08 -1.26 -4.57 117.98 116.95 1brk s PHE 82 Ca 0.00 1.44 -0.17 0.00 0.12 0.00 0.00 56.93 58.32 1brk s PHE 82 Cb 0.00 -3.63 -0.00 0.00 -0.57 0.00 0.00 43.02 38.81 1brk s PHE 82 CO 0.00 -2.42 1.23 1.03 -0.10 0.00 0.00 175.22 174.97 1brk s ARG 83 N -2.93 2.58 0.00 0.44 0.52 -1.26 -5.02 118.95 113.29 1brk s ARG 83 Ca 0.71 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.79 1brk s ARG 83 Cb -0.36 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1brk s ARG 83 CO 0.42 -1.52 0.00 0.27 0.02 0.00 0.00 175.30 174.48 1brk n ASN 84 N -2.04 0.00 -0.85 0.23 0.23 -1.26 -5.04 115.26 106.53 1brk n ASN 84 Ca 0.14 -0.65 0.07 0.00 -0.53 0.00 0.00 54.58 53.61 1brk n ASN 84 Cb 0.49 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.40 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 -1.96 3.29 -4.64 0.53 3.41 -1.26 -4.96 113.62 108.02 1brk n SER 85 Ca 0.00 -2.08 -0.39 0.00 -0.26 0.00 0.00 58.87 56.14 1brk n SER 85 Cb 0.00 -0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 63.56 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 6.50 0.02 4.04 1.01 -1.26 -2.03 116.67 123.90 1brk s ASP 86 Ca 0.31 0.60 0.00 0.00 0.71 0.00 0.00 52.55 54.17 1brk s ASP 86 Cb 0.17 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 1brk s ASP 86 CO 0.20 -0.22 -0.03 -0.13 0.21 0.00 0.00 175.17 175.20 1brk s ARG 87 N 1.89 0.27 -0.13 8.23 1.81 0.79 -1.55 118.95 130.26 1brk s ARG 87 Ca 0.22 -0.52 -0.03 0.00 -1.72 0.00 0.00 55.73 53.69 1brk s ARG 87 Cb -0.15 0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.38 1brk s ARG 87 CO 0.09 -0.04 -0.03 -1.50 -0.68 0.00 0.00 175.30 173.15 1brk s ILE 88 N -1.21 4.00 -0.20 1.52 2.07 0.94 -2.17 121.20 126.16 1brk s ILE 88 Ca -0.13 -0.33 -0.03 0.00 -1.41 0.00 0.00 60.65 58.75 1brk s ILE 88 Cb -0.08 -2.72 -0.01 0.00 0.13 0.00 0.00 42.46 39.77 1brk s ILE 88 CO -0.01 0.53 -0.07 -0.76 -1.91 0.00 0.00 174.94 172.72 1brk s LEU 89 N -0.05 2.82 0.01 8.50 2.01 0.23 -1.05 118.68 131.15 1brk s LEU 89 Ca 0.02 -0.38 0.06 0.00 0.01 0.00 0.00 54.13 53.83 1brk s LEU 89 Cb -0.13 -1.70 -0.02 0.00 0.01 0.00 0.00 46.19 44.36 1brk s LEU 89 CO 0.02 0.03 -0.18 -0.72 1.01 0.00 0.00 176.35 176.51 1brk s TYR 90 N 1.18 1.60 0.44 0.29 1.13 -0.47 -0.19 117.35 121.33 1brk s TYR 90 Ca 0.02 -0.32 0.04 0.00 -1.41 0.00 0.00 57.07 55.40 1brk s TYR 90 Cb -0.14 -1.00 0.01 0.00 -1.10 0.00 0.00 41.96 39.72 1brk s TYR 90 CO -0.02 0.01 0.62 -1.54 -2.51 0.00 0.00 175.55 172.11 1brk s SER 91 N -0.70 5.67 0.10 -0.18 1.04 -0.56 -0.60 113.70 118.47 1brk s SER 91 Ca 0.06 -0.12 0.15 0.00 0.48 0.00 0.00 55.95 56.52 1brk s SER 91 Cb -0.07 -1.02 0.64 0.00 0.10 0.00 0.00 66.02 65.67 1brk s SER 91 CO 0.00 -0.77 1.45 -1.54 0.98 0.00 0.00 173.24 173.37 1brk n SER 92 N -1.97 0.22 -0.94 7.02 3.41 -0.40 -1.60 113.62 119.37 1brk n SER 92 Ca 0.05 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 1brk n SER 92 Cb 0.59 -0.61 0.26 0.00 -0.26 0.00 0.00 64.21 64.19 1brk n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1brk n ASP 93 N -1.76 3.92 -2.69 4.04 5.75 -1.26 -4.98 116.55 119.56 1brk n ASP 93 Ca 0.02 -2.91 -0.18 0.00 -0.01 0.00 0.00 54.79 51.71 1brk n ASP 93 Cb 0.14 -0.52 0.05 0.00 -1.03 0.00 0.00 41.12 39.75 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 -0.32 -1.93 -3.06 2.11 7.02 -0.63 -5.03 117.44 115.60 1brk n TRP 94 Ca 0.21 0.62 -0.35 0.00 -1.02 0.00 0.00 57.50 56.95 1brk n TRP 94 Cb 0.87 -3.99 -0.06 0.00 -2.42 0.00 0.00 31.31 25.70 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 -5.69 4.24 -0.04 -0.99 1.43 -1.26 -4.88 118.68 111.49 1brk s LEU 95 Ca 0.36 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 1brk s LEU 95 Cb -0.16 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.26 1brk s LEU 95 CO 0.44 -0.07 -0.01 0.00 0.23 0.00 0.00 176.35 176.95 1brk s ALA 96 N -1.70 0.48 0.10 4.21 0.00 -0.81 -1.49 121.76 122.56 1brk s ALA 96 Ca 0.48 0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.58 1brk s ALA 96 Cb -0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1brk s ALA 96 CO 0.20 -0.14 -0.23 0.71 0.00 0.00 0.00 175.76 176.30 1brk s TYR 97 N 1.21 1.94 0.12 0.00 1.51 0.73 -1.30 117.35 121.56 1brk s TYR 97 Ca -0.07 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1brk s TYR 97 Cb -0.13 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1brk s TYR 97 CO -0.02 0.23 -0.15 -1.59 -1.11 0.00 0.00 175.55 172.91 1brk s LYS 98 N -1.87 1.91 -0.03 -0.62 -2.85 0.11 -0.60 119.74 115.79 1brk s LYS 98 Ca 0.09 -1.16 -0.02 0.00 -1.00 0.00 0.00 55.97 53.88 1brk s LYS 98 Cb -0.10 -2.17 0.02 0.00 -2.06 0.00 0.00 37.83 33.52 1brk s LYS 98 CO 0.04 0.48 0.07 -0.08 0.10 0.00 0.00 175.35 175.97 1brk s THR 99 N -1.26 -0.03 0.00 3.79 -1.32 -0.92 -1.97 115.64 113.93 1brk s THR 99 Ca 0.20 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1brk s THR 99 Cb -0.10 -0.13 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 1brk s THR 99 CO 0.12 0.05 0.86 0.35 -2.21 0.00 0.00 174.62 173.78 1brk n THR 100 N 3.68 0.74 -2.63 5.08 -2.24 -1.25 -0.15 114.28 117.50 1brk n THR 100 Ca -0.21 -0.82 -0.07 0.00 -2.27 0.00 0.00 64.05 60.68 1brk n THR 100 Cb 0.55 0.65 0.04 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.37 2.38 -3.41 3.42 5.68 -1.16 -4.54 116.55 118.56 1brk n ASP 101 Ca 0.00 -2.55 -0.17 0.00 -0.50 0.00 0.00 54.79 51.57 1brk n ASP 101 Cb 0.22 -0.46 0.08 0.00 -1.14 0.00 0.00 41.12 39.83 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 -0.54 -2.23 -1.33 2.11 8.25 -0.86 -3.38 115.22 117.24 1brk n HIS 102 Ca 0.16 0.90 -0.11 0.00 -0.26 0.00 0.00 57.72 58.41 1brk n HIS 102 Cb 0.83 -4.73 -0.05 0.00 1.12 0.00 0.00 29.99 27.16 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 -3.90 0.00 -0.03 4.41 4.01 -1.26 -4.90 117.16 115.49 1brk n TYR 103 Ca -0.23 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.44 1brk n TYR 103 Cb 0.66 -2.33 -0.06 0.00 -0.31 0.00 0.00 39.34 37.30 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 0.07 -0.05 -5.91 -0.72 4.20 -1.97 -3.47 115.11 107.26 1brk h GLN 104 Ca -0.23 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 57.97 1brk h GLN 104 Cb 0.91 0.01 -0.18 0.00 0.30 0.00 0.00 27.48 28.51 1brk h GLN 104 CO 0.34 0.38 -0.78 0.95 -0.67 0.00 0.00 178.83 179.05 1brk s THR 105 N -2.13 1.76 0.02 -0.54 -4.23 -1.26 -5.10 115.64 104.16 1brk s THR 105 Ca -0.09 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1brk s THR 105 Cb -0.01 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 1brk s THR 105 CO 0.33 -0.29 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.67 1brk s PHE 106 N -1.95 0.72 0.04 3.99 0.08 -1.26 -4.29 117.98 115.31 1brk s PHE 106 Ca 0.14 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.93 1brk s PHE 106 Cb -0.06 -0.45 -0.02 0.00 -0.57 0.00 0.00 43.02 41.92 1brk s PHE 106 CO 0.06 -0.02 -0.07 0.95 -0.10 0.00 0.00 175.22 176.03 1brk s THR 107 N -0.66 0.49 0.33 0.64 -4.23 -0.83 -4.93 115.64 106.44 1brk s THR 107 Ca -0.02 -1.03 -0.28 0.00 -1.18 0.00 0.00 61.69 59.19 1brk s THR 107 Cb -0.06 -0.56 -0.09 0.00 1.34 0.00 0.00 72.50 73.13 1brk s THR 107 CO 0.00 -0.37 1.12 -0.75 -0.54 0.00 0.00 174.62 174.08 1brk s LYS 108 N -1.51 4.42 0.00 3.99 2.20 -1.26 0.04 119.74 127.62 1brk s LYS 108 Ca -0.10 1.79 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 1brk s LYS 108 Cb -0.10 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1brk s LYS 108 CO 0.00 0.01 0.00 0.44 -0.36 0.00 0.00 175.35 175.44 1brk n ILE 109 N 0.71 0.00 -1.49 5.43 -5.35 -0.42 -4.85 119.36 113.39 1brk n ILE 109 Ca 0.01 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1brk n ILE 109 Cb 0.46 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 1brk n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33