#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5a s ILE 2 N 0.00 4.07 -0.37 1.12 -1.09 -1.26 -5.04 121.20 118.63 2b5a s ILE 2 Ca 0.00 1.77 0.03 0.00 -2.23 0.00 0.00 60.65 60.22 2b5a s ILE 2 Cb 0.00 -4.13 0.11 0.00 -1.58 0.00 0.00 42.46 36.86 2b5a s ILE 2 CO 0.00 0.30 0.10 0.21 -1.23 0.00 0.00 174.94 174.32 2b5a s ASN 3 N -0.11 4.49 0.28 3.58 3.84 -1.26 -4.99 114.94 120.77 2b5a s ASN 3 Ca 0.48 -2.21 -0.03 0.00 0.21 0.00 0.00 52.86 51.32 2b5a s ASN 3 Cb -0.27 -1.44 0.38 0.00 -0.55 0.00 0.00 41.25 39.36 2b5a s ASN 3 CO 0.33 -0.36 1.87 -0.33 -2.79 0.00 0.00 177.10 175.82 2b5a h GLU 4 N 7.49 0.99 -0.23 0.43 5.08 -1.99 -0.68 114.58 125.67 2b5a h GLU 4 Ca -0.06 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2b5a h GLU 4 Cb 0.99 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2b5a h GLU 4 CO 0.53 0.77 0.10 0.82 -1.00 0.00 0.00 179.01 180.24 2b5a h ILE 5 N 0.98 1.15 -0.60 3.13 2.04 -1.94 -1.23 117.51 121.04 2b5a h ILE 5 Ca 0.24 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2b5a h ILE 5 Cb 0.12 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2b5a h ILE 5 CO -0.03 0.14 0.38 -0.08 0.00 0.00 0.00 178.15 178.57 2b5a h GLU 6 N 0.23 0.75 -0.09 2.37 4.81 -1.87 0.97 114.58 121.75 2b5a h GLU 6 Ca 0.08 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2b5a h GLU 6 Cb 0.13 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2b5a h GLU 6 CO -0.01 0.49 0.06 0.82 -0.73 0.00 0.00 179.01 179.64 2b5a h ILE 7 N 0.77 1.05 -0.55 2.32 2.04 -0.89 0.10 117.51 122.35 2b5a h ILE 7 Ca 0.23 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 2b5a h ILE 7 Cb -0.04 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2b5a h ILE 7 CO -0.07 0.04 0.12 0.11 0.00 0.00 0.00 178.15 178.36 2b5a h LYS 8 N 0.10 0.89 -0.67 2.37 1.57 -1.00 -1.73 116.57 118.11 2b5a h LYS 8 Ca 0.03 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 2b5a h LYS 8 Cb 0.02 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2b5a h LYS 8 CO -0.01 0.84 0.10 0.00 -0.57 0.00 0.00 179.45 179.81 2b5a h ARG 9 N 0.78 1.11 -0.75 3.15 3.08 -0.62 -1.14 114.38 119.99 2b5a h ARG 9 Ca 0.17 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2b5a h ARG 9 Cb 0.36 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2b5a h ARG 9 CO 0.00 1.02 0.43 -0.22 -1.07 0.00 0.00 179.97 180.13 2b5a h LYS 10 N 1.04 1.04 -0.31 0.04 3.64 -0.63 0.65 116.57 122.03 2b5a h LYS 10 Ca 0.20 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2b5a h LYS 10 Cb 0.46 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2b5a h LYS 10 CO 0.01 0.75 0.14 0.35 -2.27 0.00 0.00 179.45 178.44 2b5a h PHE 11 N 1.03 0.25 -0.31 1.91 3.57 -1.02 -0.68 116.94 121.70 2b5a h PHE 11 Ca 0.27 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.80 2b5a h PHE 11 Cb 0.01 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2b5a h PHE 11 CO -0.00 0.13 0.17 0.78 -2.23 0.00 0.00 178.31 177.16 2b5a h GLY 12 N 0.29 0.42 1.18 2.40 0.00 -0.56 0.07 103.07 106.88 2b5a h GLY 12 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2b5a h GLY 12 CO -0.11 0.11 0.41 3.21 0.00 0.00 0.00 176.54 180.16 2b5a h ARG 13 N 0.35 1.07 -0.43 4.80 3.08 -0.71 -1.10 114.38 121.43 2b5a h ARG 13 Ca 0.12 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2b5a h ARG 13 Cb 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2b5a h ARG 13 CO -0.07 0.79 -0.15 1.15 -1.07 0.00 0.00 179.97 180.63 2b5a h THR 14 N 1.08 1.27 -0.34 2.04 2.02 -0.79 -1.74 112.91 116.45 2b5a h THR 14 Ca 0.27 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 2b5a h THR 14 Cb 0.04 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2b5a h THR 14 CO -0.04 0.43 0.20 0.25 0.37 0.00 0.00 175.52 176.73 2b5a h LEU 15 N 0.69 0.41 -0.76 2.58 5.85 -0.72 -0.26 115.31 123.11 2b5a h LEU 15 Ca 0.10 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2b5a h LEU 15 Cb 0.70 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2b5a h LEU 15 CO 0.05 0.34 0.48 0.50 -0.34 0.00 0.00 178.44 179.48 2b5a h LYS 16 N 0.44 0.92 -0.11 1.25 3.64 -1.02 -0.62 116.57 121.06 2b5a h LYS 16 Ca 0.12 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2b5a h LYS 16 Cb 0.01 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2b5a h LYS 16 CO -0.02 0.61 0.06 -0.22 -2.27 0.00 0.00 179.45 177.61 2b5a h LYS 17 N 0.94 0.16 -0.32 1.90 3.64 -0.89 -1.82 116.57 120.19 2b5a h LYS 17 Ca 0.31 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.56 2b5a h LYS 17 Cb 0.01 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2b5a h LYS 17 CO -0.11 0.18 -0.21 0.82 -2.27 0.00 0.00 179.45 177.85 2b5a h ILE 18 N 0.10 1.29 -0.19 2.00 2.04 -0.78 -0.56 117.51 121.42 2b5a h ILE 18 Ca 0.04 -1.35 -0.05 0.00 1.00 0.00 0.00 64.86 64.49 2b5a h ILE 18 Cb 0.06 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2b5a h ILE 18 CO -0.01 0.44 -0.13 0.08 0.00 0.00 0.00 178.15 178.53 2b5a h ARG 19 N 0.47 0.30 -0.45 2.37 0.11 -1.12 -1.02 114.38 115.03 2b5a h ARG 19 Ca 0.06 -0.07 -0.05 0.00 0.10 0.00 0.00 59.98 60.02 2b5a h ARG 19 Cb 0.76 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.79 2b5a h ARG 19 CO 0.06 0.44 0.07 1.15 0.10 0.00 0.00 179.97 181.79 2b5a h THR 20 N 0.28 1.25 0.00 0.08 2.02 -0.96 -0.57 112.91 115.01 2b5a h THR 20 Ca 0.06 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 2b5a h THR 20 Cb 0.41 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2b5a h THR 20 CO 0.02 0.31 -0.08 1.56 0.37 0.00 0.00 175.52 177.71 2b5a h GLN 21 N 0.60 0.00 -0.01 6.66 4.20 -0.53 -1.39 115.11 124.65 2b5a h GLN 21 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2b5a h GLN 21 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2b5a h GLN 21 CO 0.01 0.08 -0.33 1.63 -0.67 0.00 0.00 178.83 179.55 2b5a n LYS 22 N -3.69 0.60 -2.03 1.46 4.76 -0.44 -4.98 118.16 113.85 2b5a n LYS 22 Ca -0.02 -0.36 -0.00 0.00 -2.87 0.00 0.00 58.31 55.06 2b5a n LYS 22 Cb 0.18 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 31.88 2b5a n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b5a n GLY 23 N 1.39 0.40 3.19 0.72 0.00 -0.35 -5.05 105.19 105.49 2b5a n GLY 23 Ca 0.10 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 2b5a n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b5a s VAL 24 N -2.06 1.97 0.86 1.61 1.01 -0.45 -5.03 120.40 118.32 2b5a s VAL 24 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 2b5a s VAL 24 Cb -0.00 -1.71 0.11 0.00 0.00 0.00 0.00 36.38 34.78 2b5a s VAL 24 CO 0.00 0.54 1.09 -0.94 0.00 0.00 0.00 175.10 175.79 2b5a s SER 25 N 0.45 3.82 0.20 3.32 1.04 -1.26 -4.23 113.70 117.04 2b5a s SER 25 Ca -0.17 1.41 -0.11 0.00 0.48 0.00 0.00 55.95 57.57 2b5a s SER 25 Cb -0.17 -2.11 0.15 0.00 0.10 0.00 0.00 66.02 63.98 2b5a s SER 25 CO 0.07 -2.41 1.85 -0.61 0.98 0.00 0.00 173.24 173.12 2b5a h GLN 26 N -1.39 0.83 -0.44 4.02 4.15 -1.99 -0.47 115.11 119.82 2b5a h GLN 26 Ca -0.49 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 58.79 2b5a h GLN 26 Cb 1.28 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 2b5a h GLN 26 CO 0.56 0.55 -0.08 0.93 -1.93 0.00 0.00 178.83 178.87 2b5a h GLU 27 N 0.86 0.82 -0.57 1.69 3.07 -1.93 -1.57 114.58 116.95 2b5a h GLU 27 Ca 0.26 -0.30 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 2b5a h GLU 27 Cb -0.04 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 2b5a h GLU 27 CO -0.08 0.92 0.10 1.49 -1.40 0.00 0.00 179.01 180.05 2b5a h GLU 28 N 0.65 0.94 -0.42 2.33 4.81 -1.88 -1.70 114.58 119.30 2b5a h GLU 28 Ca 0.11 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2b5a h GLU 28 Cb 0.60 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2b5a h GLU 28 CO 0.04 0.89 0.19 1.25 -0.73 0.00 0.00 179.01 180.65 2b5a h LEU 29 N 0.84 0.25 -0.27 1.64 5.85 -0.80 0.54 115.31 123.36 2b5a h LEU 29 Ca 0.17 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.97 2b5a h LEU 29 Cb 0.40 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2b5a h LEU 29 CO 0.01 0.18 0.03 0.00 -0.34 0.00 0.00 178.44 178.32 2b5a h ALA 30 N 1.24 0.26 -0.24 1.25 0.00 -1.03 0.44 119.26 121.17 2b5a h ALA 30 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2b5a h ALA 30 Cb 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2b5a h ALA 30 CO -0.15 -0.39 0.16 -0.44 0.00 0.00 0.00 179.25 178.43 2b5a h ASP 31 N 0.12 0.27 -0.28 0.00 3.32 -0.86 -0.66 116.42 118.33 2b5a h ASP 31 Ca 0.13 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2b5a h ASP 31 Cb 0.15 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2b5a h ASP 31 CO -0.19 0.20 0.04 -0.07 -1.72 0.00 0.00 179.24 177.49 2b5a h LEU 32 N 0.33 0.53 -0.37 1.55 3.38 -0.54 -2.66 115.31 117.53 2b5a h LEU 32 Ca 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2b5a h LEU 32 Cb -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2b5a h LEU 32 CO -0.02 0.58 -0.08 0.00 0.09 0.00 0.00 178.44 179.00 2b5a n ALA 33 N -2.47 2.74 -3.35 1.53 0.00 0.11 -4.76 120.51 114.31 2b5a n ALA 33 Ca 0.02 -0.31 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 2b5a n ALA 33 Cb 0.23 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.44 2b5a n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b5a n GLY 34 N 1.22 -0.28 3.23 0.00 0.00 -0.45 -4.81 105.19 104.10 2b5a n GLY 34 Ca 0.17 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 2b5a n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b5a s LEU 35 N -6.07 2.38 0.38 0.99 1.43 -0.38 -5.05 118.68 112.35 2b5a s LEU 35 Ca 0.33 -0.78 -0.27 0.00 -1.03 0.00 0.00 54.13 52.38 2b5a s LEU 35 Cb -0.15 -0.53 -0.10 0.00 0.03 0.00 0.00 46.19 45.44 2b5a s LEU 35 CO 0.61 -0.14 1.35 -1.00 0.23 0.00 0.00 176.35 177.40 2b5a s HIS 36 N -2.02 2.82 0.25 0.29 3.76 -1.26 -4.21 115.29 114.92 2b5a s HIS 36 Ca 0.07 1.35 -0.04 0.00 -0.15 0.00 0.00 55.06 56.29 2b5a s HIS 36 Cb -0.06 -3.76 0.35 0.00 1.11 0.00 0.00 32.58 30.22 2b5a s HIS 36 CO 0.03 -2.26 1.87 0.00 -0.85 0.00 0.00 174.74 173.53 2b5a h ARG 37 N 2.96 1.07 -0.18 1.40 3.08 -1.92 -1.84 114.38 118.94 2b5a h ARG 37 Ca -0.50 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.38 2b5a h ARG 37 Cb 1.24 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2b5a h ARG 37 CO 0.64 0.71 -0.34 1.79 -1.07 0.00 0.00 179.97 181.70 2b5a h THR 38 N 1.10 1.29 -0.39 2.04 1.35 -1.98 -2.01 112.91 114.30 2b5a h THR 38 Ca 0.39 -1.40 -0.02 0.00 -0.55 0.00 0.00 66.41 64.84 2b5a h THR 38 Cb 0.12 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2b5a h THR 38 CO -0.16 0.43 0.18 0.22 -0.25 0.00 0.00 175.52 175.95 2b5a h TYR 39 N 0.32 0.57 -0.45 4.73 3.20 -1.73 -0.98 116.97 122.64 2b5a h TYR 39 Ca 0.04 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2b5a h TYR 39 Cb 0.75 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2b5a h TYR 39 CO 0.02 0.48 0.21 0.82 -1.64 0.00 0.00 178.16 178.05 2b5a h ILE 40 N 0.50 1.19 -0.62 1.81 1.08 -1.11 0.11 117.51 120.46 2b5a h ILE 40 Ca 0.13 -0.54 0.10 0.00 -0.39 0.00 0.00 64.86 64.17 2b5a h ILE 40 Cb 0.13 0.71 -0.07 0.00 -3.07 0.00 0.00 36.82 34.51 2b5a h ILE 40 CO -0.02 0.21 0.23 -1.28 -0.69 0.00 0.00 178.15 176.60 2b5a h SER 41 N 0.59 0.22 -0.36 1.72 0.87 -1.13 -0.31 113.55 115.14 2b5a h SER 41 Ca 0.15 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.72 2b5a h SER 41 Cb 0.13 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2b5a h SER 41 CO -0.02 0.13 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.01 2b5a h GLU 42 N 0.40 0.69 -0.76 2.24 5.08 -0.71 -2.82 114.58 118.70 2b5a h GLU 42 Ca 0.31 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2b5a h GLU 42 Cb 0.40 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2b5a h GLU 42 CO -0.32 0.84 0.49 0.28 -1.00 0.00 0.00 179.01 179.30 2b5a h VAL 43 N 0.48 1.13 0.00 3.13 2.07 -0.38 0.76 116.25 123.44 2b5a h VAL 43 Ca 0.09 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2b5a h VAL 43 Cb 0.57 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2b5a h VAL 43 CO 0.03 0.18 -0.13 -0.33 0.02 0.00 0.00 177.57 177.34 2b5a h GLU 44 N 0.96 0.00 -0.13 1.57 5.08 -0.95 -0.78 114.58 120.33 2b5a h GLU 44 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2b5a h GLU 44 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2b5a h GLU 44 CO -0.10 0.13 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 2b5a n ARG 45 N -3.74 1.82 -1.09 2.33 1.74 -0.77 -3.85 116.66 113.10 2b5a n ARG 45 Ca -0.02 -1.23 -0.03 0.00 -0.77 0.00 0.00 57.85 55.80 2b5a n ARG 45 Cb 0.23 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 2b5a n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b5a n GLY 46 N 1.20 0.62 0.52 -0.13 0.00 -0.30 -4.78 105.19 102.32 2b5a n GLY 46 Ca 0.17 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.44 2b5a n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b5a n ASP 47 N 1.39 1.79 -4.57 1.61 8.00 0.19 -4.56 116.55 120.40 2b5a n ASP 47 Ca -0.03 -1.43 -0.26 0.00 0.71 0.00 0.00 54.79 53.77 2b5a n ASP 47 Cb 0.11 0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.23 2b5a n ASP 47 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2b5a s ARG 48 N -2.24 1.86 -1.21 -1.24 1.81 -1.26 -4.94 118.95 111.73 2b5a s ARG 48 Ca 0.28 -2.02 -0.06 0.00 -1.72 0.00 0.00 55.73 52.22 2b5a s ARG 48 Cb 0.20 -1.54 0.21 0.00 -0.45 0.00 0.00 34.95 33.37 2b5a s ARG 48 CO 0.43 -0.00 1.93 -1.71 -0.68 0.00 0.00 175.30 175.26 2b5a n ASN 49 N -0.86 6.61 -4.62 0.23 5.15 -1.26 -4.95 115.26 115.56 2b5a n ASN 49 Ca -0.05 -3.29 -0.53 0.00 -0.60 0.00 0.00 54.58 50.12 2b5a n ASN 49 Cb 0.66 -1.35 -0.06 0.00 -0.53 0.00 0.00 39.78 38.50 2b5a n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2b5a n ILE 50 N 1.85 0.07 -4.43 -1.44 0.13 -1.26 -4.95 119.36 109.32 2b5a n ILE 50 Ca 0.44 -0.01 -0.22 0.00 -1.10 0.00 0.00 62.75 61.86 2b5a n ILE 50 Cb 0.30 -0.93 -0.09 0.00 -0.84 0.00 0.00 39.64 38.08 2b5a n ILE 50 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 2b5a s SER 51 N 1.14 2.20 0.19 9.51 0.01 -1.26 -5.01 113.70 120.49 2b5a s SER 51 Ca 0.87 -1.55 -0.17 0.00 1.31 0.00 0.00 55.95 56.41 2b5a s SER 51 Cb -0.97 0.31 0.17 0.00 0.21 0.00 0.00 66.02 65.74 2b5a s SER 51 CO 0.50 -0.83 1.62 0.25 0.41 0.00 0.00 173.24 175.20 2b5a h LEU 52 N 2.03 -0.72 -0.33 2.44 5.85 -1.99 -0.09 115.31 122.51 2b5a h LEU 52 Ca -0.36 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2b5a h LEU 52 Cb 1.26 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 2b5a h LEU 52 CO 0.59 -0.23 0.20 0.40 -0.34 0.00 0.00 178.44 179.05 2b5a h ILE 53 N -0.07 1.11 -0.12 4.05 2.04 -1.99 -0.21 117.51 122.31 2b5a h ILE 53 Ca 0.25 -0.24 -0.14 0.00 1.00 0.00 0.00 64.86 65.73 2b5a h ILE 53 Cb 0.47 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2b5a h ILE 53 CO -0.59 0.10 -0.54 0.78 0.00 0.00 0.00 178.15 177.90 2b5a h ASN 54 N 0.43 0.39 -0.52 1.72 2.35 -1.85 -1.09 115.58 117.02 2b5a h ASN 54 Ca 0.12 -0.21 0.07 0.00 -0.55 0.00 0.00 56.30 55.73 2b5a h ASN 54 Cb -0.01 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 2b5a h ASN 54 CO -0.02 0.86 0.19 0.40 -1.65 0.00 0.00 177.43 177.21 2b5a h ILE 55 N 0.27 0.83 -0.36 2.81 2.04 -0.58 0.24 117.51 122.77 2b5a h ILE 55 Ca 0.00 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2b5a h ILE 55 Cb 1.04 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2b5a h ILE 55 CO 0.09 0.07 0.21 -0.74 0.00 0.00 0.00 178.15 177.78 2b5a h HIS 56 N 0.38 0.48 -0.54 1.37 2.76 -0.55 -0.99 115.15 118.07 2b5a h HIS 56 Ca 0.25 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2b5a h HIS 56 Cb 0.26 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 2b5a h HIS 56 CO -0.16 0.36 0.26 0.87 -1.30 0.00 0.00 177.93 177.96 2b5a h LYS 57 N 0.47 0.77 -0.33 5.26 1.57 -0.95 -0.15 116.57 123.21 2b5a h LYS 57 Ca 0.13 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2b5a h LYS 57 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2b5a h LYS 57 CO -0.02 0.64 0.12 0.82 -0.57 0.00 0.00 179.45 180.43 2b5a h ILE 58 N 0.72 1.19 -0.42 1.86 2.04 -0.73 -1.41 117.51 120.76 2b5a h ILE 58 Ca 0.18 -0.61 -0.13 0.00 1.00 0.00 0.00 64.86 65.30 2b5a h ILE 58 Cb 0.12 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2b5a h ILE 58 CO -0.02 0.21 -0.26 0.00 0.00 0.00 0.00 178.15 178.08 2b5a h ALA 60 N 0.95 0.94 -0.27 0.00 0.00 -0.92 -1.16 119.26 118.81 2b5a h ALA 60 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2b5a h ALA 60 Cb 0.81 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2b5a h ALA 60 CO 0.07 0.40 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 2b5a h ALA 61 N 1.24 1.49 -0.03 0.00 0.00 -0.89 -1.59 119.26 119.49 2b5a h ALA 61 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2b5a h ALA 61 Cb -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2b5a h ALA 61 CO -0.05 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.85 2b5a n LEU 62 N -4.31 1.17 -3.64 0.00 4.77 -0.78 -4.93 117.00 109.26 2b5a n LEU 62 Ca 0.01 -0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 55.36 2b5a n LEU 62 Cb 0.22 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2b5a n LEU 62 CO 0.38 0.20 -0.06 -0.67 -1.33 0.00 0.00 177.39 175.92 2b5a n ASP 63 N -0.08 -2.38 -3.92 -1.43 2.03 -0.54 -5.01 116.55 105.22 2b5a n ASP 63 Ca 0.20 -0.84 -0.16 0.00 0.52 0.00 0.00 54.79 54.51 2b5a n ASP 63 Cb 0.29 -4.09 -0.15 0.00 -0.72 0.00 0.00 41.12 36.45 2b5a n ASP 63 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2b5a s ILE 64 N -3.61 0.32 0.55 5.18 2.07 -0.59 -5.04 121.20 120.08 2b5a s ILE 64 Ca 0.12 -0.14 -0.20 0.00 -1.41 0.00 0.00 60.65 59.02 2b5a s ILE 64 Cb -0.03 -0.29 -0.05 0.00 0.13 0.00 0.00 42.46 42.22 2b5a s ILE 64 CO 0.81 0.11 1.21 -2.84 -1.91 0.00 0.00 174.94 172.32 2b5a s PRO 65 N 0.10 3.20 0.34 3.50 0.02 -1.26 -4.24 135.00 136.66 2b5a s PRO 65 Ca -0.01 1.85 0.03 0.00 0.02 0.00 0.00 61.00 62.90 2b5a s PRO 65 Cb -0.04 -2.08 0.65 0.00 0.02 0.00 0.00 34.50 33.04 2b5a s PRO 65 CO -0.00 -1.03 1.96 0.00 -0.33 0.00 0.00 177.00 177.60 2b5a h ALA 66 N 1.25 1.60 -0.84 -1.55 0.00 -1.94 -1.66 119.26 116.12 2b5a h ALA 66 Ca -0.50 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.47 2b5a h ALA 66 Cb 1.28 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 2b5a h ALA 66 CO 0.57 0.30 0.49 0.66 0.00 0.00 0.00 179.25 181.27 2b5a h SER 67 N 0.87 0.72 -0.36 0.00 4.64 -1.99 -0.09 113.55 117.34 2b5a h SER 67 Ca 0.31 0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.55 2b5a h SER 67 Cb 0.13 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2b5a h SER 67 CO -0.10 0.41 -0.25 0.74 -0.87 0.00 0.00 176.83 176.76 2b5a h THR 68 N 0.83 1.28 -0.09 2.95 2.02 -1.70 -0.66 112.91 117.56 2b5a h THR 68 Ca 0.40 -1.40 0.04 0.00 0.77 0.00 0.00 66.41 66.22 2b5a h THR 68 Cb 0.35 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 2b5a h THR 68 CO -0.24 0.46 -0.18 0.15 0.37 0.00 0.00 175.52 176.09 2b5a h PHE 69 N 0.60 -0.46 -0.44 3.16 3.57 -0.91 -1.30 116.94 121.17 2b5a h PHE 69 Ca 0.07 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 2b5a h PHE 69 Cb 0.82 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2b5a h PHE 69 CO 0.06 -0.25 -0.01 0.74 -2.23 0.00 0.00 178.31 176.62 2b5a h PHE 70 N -0.24 0.76 -0.84 0.41 0.04 -0.97 -1.38 116.94 114.72 2b5a h PHE 70 Ca 0.08 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2b5a h PHE 70 Cb 0.36 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 2b5a h PHE 70 CO -0.27 0.72 0.50 -0.09 -0.60 0.00 0.00 178.31 178.58 2b5a h ARG 71 N 0.67 1.14 -0.65 1.51 2.43 -0.81 0.13 114.38 118.81 2b5a h ARG 71 Ca 0.13 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2b5a h ARG 71 Cb 0.44 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2b5a h ARG 71 CO 0.02 0.80 0.13 0.87 -1.51 0.00 0.00 179.97 180.28 2b5a h LYS 72 N 1.15 1.05 -0.58 0.20 1.57 -0.83 -1.33 116.57 117.80 2b5a h LYS 72 Ca 0.30 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2b5a h LYS 72 Cb -0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2b5a h LYS 72 CO -0.06 0.95 0.05 1.98 -0.57 0.00 0.00 179.45 181.80 2b5a h MET 73 N 0.99 0.97 0.00 3.15 4.05 -0.67 -2.61 114.93 120.81 2b5a h MET 73 Ca 0.20 -0.27 -0.07 0.00 -0.28 0.00 0.00 59.70 59.28 2b5a h MET 73 Cb 0.39 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2b5a h MET 73 CO 0.01 0.92 -0.36 0.93 0.23 0.00 0.00 176.91 178.64 2b5a h GLU 74 N 0.90 0.00 -0.08 0.39 5.08 -0.46 -2.99 114.58 117.43 2b5a h GLU 74 Ca 0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2b5a h GLU 74 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2b5a h GLU 74 CO 0.02 0.36 -0.05 0.93 -1.00 0.00 0.00 179.01 179.26 2b5a h GLU 75 N 0.00 0.18 0.00 2.33 5.08 -0.95 -3.51 114.58 117.72 2b5a h GLU 75 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2b5a h GLU 75 Cb 0.83 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2b5a h GLU 75 CO 0.05 0.57 0.00 0.39 -1.00 0.00 0.00 179.01 179.02