#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 3.35 -0.34 1.12 -1.09 -1.26 -4.98 121.20 118.00 2b5a s ILE 2 Ca 0.00 0.98 0.04 0.00 -2.23 0.00 0.00 60.65 59.44 2b5a s ILE 2 Cb 0.00 -3.63 0.10 0.00 -1.58 0.00 0.00 42.46 37.35 2b5a s ILE 2 CO 0.00 0.09 0.05 0.21 -1.23 0.00 0.00 174.94 174.06 2b5a s ASN 3 N 0.99 4.72 0.20 3.58 3.84 -1.26 -5.00 114.94 122.01 2b5a s ASN 3 Ca 0.63 -2.13 -0.11 0.00 0.21 0.00 0.00 52.86 51.46 2b5a s ASN 3 Cb -0.36 -1.58 0.13 0.00 -0.55 0.00 0.00 41.25 38.88 2b5a s ASN 3 CO 0.31 -0.38 1.83 -0.33 -2.79 0.00 0.00 177.10 175.75 2b5a h GLU 4 N 7.63 0.95 -0.40 0.43 5.08 -1.99 -1.27 114.58 125.01 2b5a h GLU 4 Ca -0.05 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2b5a h GLU 4 Cb 1.02 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2b5a h GLU 4 CO 0.52 0.68 0.18 0.82 -1.00 0.00 0.00 179.01 180.20 2b5a h ILE 5 N 0.95 0.95 -0.58 3.13 2.04 -1.94 -0.81 117.51 121.24 2b5a h ILE 5 Ca 0.25 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 2b5a h ILE 5 Cb -0.02 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2b5a h ILE 5 CO -0.05 0.07 0.26 -0.08 0.00 0.00 0.00 178.15 178.35 2b5a h GLU 6 N 0.37 0.85 0.02 2.37 4.81 -1.87 0.15 114.58 121.27 2b5a h GLU 6 Ca 0.17 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2b5a h GLU 6 Cb 0.11 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2b5a h GLU 6 CO -0.14 0.71 -0.01 0.82 -0.73 0.00 0.00 179.01 179.66 2b5a h ILE 7 N 0.79 1.06 -0.34 2.32 2.04 -0.91 0.38 117.51 122.84 2b5a h ILE 7 Ca 0.20 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2b5a h ILE 7 Cb 0.16 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2b5a h ILE 7 CO -0.02 0.06 0.08 0.11 0.00 0.00 0.00 178.15 178.38 2b5a h LYS 8 N -0.12 0.55 -0.30 2.37 1.57 -0.99 -1.60 116.57 118.05 2b5a h LYS 8 Ca -0.00 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 2b5a h LYS 8 Cb 0.11 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2b5a h LYS 8 CO 0.00 0.61 -0.08 0.00 -0.57 0.00 0.00 179.45 179.41 2b5a h ARG 9 N 0.40 0.49 -0.38 3.15 3.08 -0.60 -1.00 114.38 119.52 2b5a h ARG 9 Ca 0.11 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2b5a h ARG 9 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2b5a h ARG 9 CO 0.00 0.58 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.23 2b5a h LYS 10 N 0.46 0.70 -0.29 0.04 3.64 -0.74 0.25 116.57 120.63 2b5a h LYS 10 Ca 0.09 -0.24 0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2b5a h LYS 10 Cb 0.43 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 2b5a h LYS 10 CO 0.02 0.81 0.05 0.35 -2.27 0.00 0.00 179.45 178.41 2b5a h PHE 11 N 0.51 0.08 -0.69 1.91 3.57 -1.04 -0.99 116.94 120.29 2b5a h PHE 11 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2b5a h PHE 11 Cb 0.51 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2b5a h PHE 11 CO 0.04 0.01 0.38 0.78 -2.23 0.00 0.00 178.31 177.30 2b5a h GLY 12 N 0.15 1.02 1.11 2.40 0.00 -0.74 0.47 103.07 107.49 2b5a h GLY 12 Ca 0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 2b5a h GLY 12 CO -0.18 0.44 0.36 3.21 0.00 0.00 0.00 176.54 180.37 2b5a h ARG 13 N 0.94 1.14 -0.46 4.80 3.08 -0.33 -1.15 114.38 122.41 2b5a h ARG 13 Ca 0.24 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 2b5a h ARG 13 Cb 0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2b5a h ARG 13 CO -0.04 0.89 -0.25 1.15 -1.07 0.00 0.00 179.97 180.65 2b5a h THR 14 N 1.13 1.27 -0.26 2.04 2.02 -0.62 -1.22 112.91 117.27 2b5a h THR 14 Ca 0.27 -1.42 0.01 0.00 0.77 0.00 0.00 66.41 66.04 2b5a h THR 14 Cb 0.14 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2b5a h THR 14 CO -0.03 0.49 0.16 0.25 0.37 0.00 0.00 175.52 176.75 2b5a h LEU 15 N 0.83 0.26 -0.58 2.58 5.85 -0.63 -0.45 115.31 123.17 2b5a h LEU 15 Ca 0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2b5a h LEU 15 Cb 0.84 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 2b5a h LEU 15 CO 0.07 0.19 0.33 0.50 -0.34 0.00 0.00 178.44 179.19 2b5a h LYS 16 N 0.32 0.80 -0.03 1.25 3.64 -1.05 0.36 116.57 121.86 2b5a h LYS 16 Ca 0.10 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2b5a h LYS 16 Cb -0.01 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 2b5a h LYS 16 CO -0.04 0.60 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.35 2b5a h LYS 17 N 0.78 -0.25 -0.24 1.90 3.64 -0.97 -0.67 116.57 120.77 2b5a h LYS 17 Ca 0.21 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 2b5a h LYS 17 Cb 0.02 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2b5a h LYS 17 CO -0.04 -0.16 -0.06 0.82 -2.27 0.00 0.00 179.45 177.74 2b5a h ILE 18 N -0.26 1.28 -0.29 2.00 2.04 -0.83 -1.41 117.51 120.06 2b5a h ILE 18 Ca 0.06 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 2b5a h ILE 18 Cb 0.34 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2b5a h ILE 18 CO -0.18 0.33 0.18 -0.09 0.00 0.00 0.00 178.15 178.39 2b5a h ARG 19 N 0.21 0.39 -0.59 2.37 2.43 -0.89 -1.51 114.38 116.80 2b5a h ARG 19 Ca 0.06 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 2b5a h ARG 19 Cb 0.53 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2b5a h ARG 19 CO 0.02 0.29 -0.03 1.79 -1.51 0.00 0.00 179.97 180.54 2b5a h THR 20 N 0.38 1.27 -0.77 0.20 1.35 -1.11 -1.53 112.91 112.70 2b5a h THR 20 Ca 0.10 -1.18 0.12 0.00 -0.55 0.00 0.00 66.41 64.91 2b5a h THR 20 Cb -0.01 0.84 -0.09 0.00 -1.73 0.00 0.00 68.15 67.17 2b5a h THR 20 CO -0.02 0.43 0.36 1.56 -0.25 0.00 0.00 175.52 177.60 2b5a h GLN 21 N 0.96 0.55 -0.00 4.72 4.20 -0.98 -1.01 115.11 123.55 2b5a h GLN 21 Ca 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2b5a h GLN 21 Cb 0.59 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2b5a h GLN 21 CO 0.04 0.36 0.00 1.63 -0.67 0.00 0.00 178.83 180.19 2b5a n LYS 22 N -4.91 1.05 -1.99 1.46 5.02 -0.59 -4.91 118.16 113.30 2b5a n LYS 22 Ca 0.14 -0.08 -0.08 0.00 -2.02 0.00 0.00 58.31 56.27 2b5a n LYS 22 Cb 0.36 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 2b5a n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b5a n GLY 23 N 0.97 0.21 3.42 0.72 0.00 -0.38 -5.01 105.19 105.12 2b5a n GLY 23 Ca 0.22 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.38 4.08 0.91 1.61 1.01 -0.63 -5.04 120.40 119.97 2b5a s VAL 24 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 2b5a s VAL 24 Cb 0.00 -2.89 0.14 0.00 0.00 0.00 0.00 36.38 33.63 2b5a s VAL 24 CO 0.00 0.37 1.09 -0.94 0.00 0.00 0.00 175.10 175.63 2b5a s SER 25 N 1.47 3.26 0.32 3.32 1.04 -1.26 -4.36 113.70 117.50 2b5a s SER 25 Ca 0.05 1.68 -0.00 0.00 0.48 0.00 0.00 55.95 58.17 2b5a s SER 25 Cb -0.15 -2.32 0.52 0.00 0.10 0.00 0.00 66.02 64.17 2b5a s SER 25 CO 0.02 -2.80 1.98 1.56 0.98 0.00 0.00 173.24 174.98 2b5a h GLN 26 N -1.66 0.96 -0.24 4.02 4.20 -1.98 -0.86 115.11 119.55 2b5a h GLN 26 Ca -0.49 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.14 2b5a h GLN 26 Cb 1.28 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 2b5a h GLN 26 CO 0.51 0.65 0.07 1.49 -0.67 0.00 0.00 178.83 180.88 2b5a h GLU 27 N 0.98 0.38 -0.62 1.46 4.57 -1.94 -0.70 114.58 118.73 2b5a h GLU 27 Ca 0.26 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2b5a h GLU 27 Cb -0.09 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 2b5a h GLU 27 CO -0.05 0.47 0.27 1.49 -1.18 0.00 0.00 179.01 180.01 2b5a h GLU 28 N 0.22 0.91 -0.45 1.92 4.81 -1.83 -0.39 114.58 119.78 2b5a h GLU 28 Ca 0.08 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2b5a h GLU 28 Cb 0.26 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2b5a h GLU 28 CO -0.00 0.75 0.29 1.25 -0.73 0.00 0.00 179.01 180.57 2b5a h LEU 29 N 0.85 0.50 -0.38 1.64 5.85 -0.98 0.75 115.31 123.53 2b5a h LEU 29 Ca 0.21 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.99 2b5a h LEU 29 Cb 0.17 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 2b5a h LEU 29 CO -0.02 0.36 -0.02 0.00 -0.34 0.00 0.00 178.44 178.41 2b5a h ALA 30 N 1.17 0.32 0.00 1.25 0.00 -0.78 0.46 119.26 121.69 2b5a h ALA 30 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2b5a h ALA 30 Cb -0.05 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2b5a h ALA 30 CO -0.05 -0.41 -0.02 -0.44 0.00 0.00 0.00 179.25 178.33 2b5a h ASP 31 N 0.07 -0.07 0.23 0.00 3.32 -0.44 -0.20 116.42 119.34 2b5a h ASP 31 Ca 0.19 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2b5a h ASP 31 Cb 0.27 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2b5a h ASP 31 CO -0.33 -0.04 -0.38 -0.07 -1.72 0.00 0.00 179.24 176.70 2b5a h LEU 32 N -0.05 0.21 -0.27 1.55 3.38 -0.67 -3.08 115.31 116.38 2b5a h LEU 32 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2b5a h LEU 32 Cb 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2b5a h LEU 32 CO -0.02 0.58 -0.36 0.00 0.09 0.00 0.00 178.44 178.73 2b5a n ALA 33 N -2.47 3.29 -3.25 1.53 0.00 0.14 -4.76 120.51 114.98 2b5a n ALA 33 Ca -0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 52.88 2b5a n ALA 33 Cb 0.45 -1.13 0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 1.41 -0.11 3.32 0.00 0.00 -0.21 -4.85 105.19 104.75 2b5a n GLY 34 Ca 0.09 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.43 2.17 0.26 0.99 1.43 -0.46 -5.05 118.68 112.58 2b5a s LEU 35 Ca 0.37 -1.22 -0.21 0.00 -1.03 0.00 0.00 54.13 52.04 2b5a s LEU 35 Cb -0.16 -0.24 -0.09 0.00 0.03 0.00 0.00 46.19 45.73 2b5a s LEU 35 CO 0.52 -0.52 0.78 -1.00 0.23 0.00 0.00 176.35 176.36 2b5a s HIS 36 N -3.45 3.63 0.28 0.29 3.76 -1.26 -4.32 115.29 114.22 2b5a s HIS 36 Ca 0.28 1.47 0.01 0.00 -0.15 0.00 0.00 55.06 56.67 2b5a s HIS 36 Cb 0.06 -2.69 0.52 0.00 1.11 0.00 0.00 32.58 31.58 2b5a s HIS 36 CO 0.08 0.28 1.86 -0.09 -0.85 0.00 0.00 174.74 176.02 2b5a h ARG 37 N 3.23 1.01 -0.65 1.40 2.43 -1.92 -0.88 114.38 119.00 2b5a h ARG 37 Ca -0.48 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 2b5a h ARG 37 Cb 1.19 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 2b5a h ARG 37 CO 0.65 0.67 0.35 1.79 -1.51 0.00 0.00 179.97 181.92 2b5a h THR 38 N 1.04 1.20 -0.33 0.20 1.35 -1.96 -0.12 112.91 114.29 2b5a h THR 38 Ca 0.46 -0.51 -0.10 0.00 -0.55 0.00 0.00 66.41 65.72 2b5a h THR 38 Cb 0.37 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 2b5a h THR 38 CO -0.22 0.22 -0.17 0.22 -0.25 0.00 0.00 175.52 175.33 2b5a h TYR 39 N 0.91 0.81 -0.53 4.73 3.20 -1.59 -1.11 116.97 123.39 2b5a h TYR 39 Ca 0.23 -0.20 0.07 0.00 3.14 0.00 0.00 58.73 61.97 2b5a h TYR 39 Cb 0.03 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 2b5a h TYR 39 CO 0.01 0.91 0.20 0.82 -1.64 0.00 0.00 178.16 178.46 2b5a h ILE 40 N 0.47 0.84 -0.47 1.81 1.08 -0.68 0.40 117.51 120.96 2b5a h ILE 40 Ca 0.07 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2b5a h ILE 40 Cb 0.70 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 2b5a h ILE 40 CO 0.05 0.07 0.29 -1.28 -0.69 0.00 0.00 178.15 176.60 2b5a h SER 41 N 0.40 0.56 -0.43 1.72 0.87 -0.94 -0.33 113.55 115.40 2b5a h SER 41 Ca 0.25 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.80 2b5a h SER 41 Cb 0.26 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2b5a h SER 41 CO -0.24 0.43 0.24 -0.33 -0.53 0.00 0.00 176.83 176.40 2b5a h GLU 42 N 0.63 0.46 -0.37 2.24 5.08 -0.65 -1.50 114.58 120.48 2b5a h GLU 42 Ca 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2b5a h GLU 42 Cb -0.03 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2b5a h GLU 42 CO -0.03 0.30 0.20 0.28 -1.00 0.00 0.00 179.01 178.76 2b5a h VAL 43 N 0.47 1.14 -0.11 3.13 2.07 -0.50 -0.66 116.25 121.80 2b5a h VAL 43 Ca 0.18 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2b5a h VAL 43 Cb 0.05 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2b5a h VAL 43 CO -0.11 0.15 -0.11 -0.33 0.02 0.00 0.00 177.57 177.19 2b5a h GLU 44 N 0.47 0.17 -0.01 1.57 5.08 -0.77 -1.84 114.58 119.25 2b5a h GLU 44 Ca 0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2b5a h GLU 44 Cb 0.05 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2b5a h GLU 44 CO -0.02 0.29 -0.01 2.89 -1.00 0.00 0.00 179.01 181.16 2b5a n ARG 45 N -4.32 1.43 -0.56 2.33 1.85 -0.59 -3.80 116.66 113.00 2b5a n ARG 45 Ca -0.01 -0.69 0.00 0.00 -1.00 0.00 0.00 57.85 56.15 2b5a n ARG 45 Cb 0.23 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.16 2b5a n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2b5a n GLY 46 N 1.14 0.67 0.68 2.89 0.00 -0.69 -4.79 105.19 105.09 2b5a n GLY 46 Ca 0.20 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.77 2.12 -4.04 1.61 8.00 -0.28 -4.46 116.55 120.28 2b5a n ASP 47 Ca 0.00 -1.70 -0.23 0.00 0.71 0.00 0.00 54.79 53.56 2b5a n ASP 47 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.00 1.41 -1.24 -1.24 1.81 -1.24 -4.93 118.95 111.52 2b5a s ARG 48 Ca 0.34 -0.41 -0.18 0.00 -1.72 0.00 0.00 55.73 53.76 2b5a s ARG 48 Cb 0.21 -1.23 0.09 0.00 -0.45 0.00 0.00 34.95 33.57 2b5a s ARG 48 CO 0.32 0.11 1.63 1.21 -0.68 0.00 0.00 175.30 177.89 2b5a s ASN 49 N 0.35 6.83 0.24 0.23 2.47 -1.26 -4.88 114.94 118.93 2b5a s ASN 49 Ca -0.08 -2.41 -0.31 0.00 0.42 0.00 0.00 52.86 50.48 2b5a s ASN 49 Cb -0.12 -2.54 -0.11 0.00 -1.45 0.00 0.00 41.25 37.03 2b5a s ASN 49 CO 0.02 -1.13 1.61 -0.51 -3.72 0.00 0.00 177.10 173.37 2b5a s ILE 50 N 3.78 2.21 0.65 -5.21 2.07 -1.26 -4.95 121.20 118.49 2b5a s ILE 50 Ca 0.50 0.17 -0.15 0.00 -1.41 0.00 0.00 60.65 59.75 2b5a s ILE 50 Cb 0.02 -3.11 -0.01 0.00 0.13 0.00 0.00 42.46 39.50 2b5a s ILE 50 CO 0.04 0.02 1.11 -0.94 -1.91 0.00 0.00 174.94 173.26 2b5a s SER 51 N 0.80 5.17 0.26 4.50 1.04 -1.26 -4.83 113.70 119.38 2b5a s SER 51 Ca 0.67 2.02 -0.02 0.00 0.48 0.00 0.00 55.95 59.11 2b5a s SER 51 Cb -0.47 -2.55 0.54 0.00 0.10 0.00 0.00 66.02 63.63 2b5a s SER 51 CO 0.40 -1.59 1.71 0.25 0.98 0.00 0.00 173.24 174.99 2b5a h LEU 52 N 0.16 0.22 -0.48 2.42 5.85 -1.99 0.27 115.31 121.76 2b5a h LEU 52 Ca -0.47 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.42 2b5a h LEU 52 Cb 1.25 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 2b5a h LEU 52 CO 0.54 0.04 0.25 0.40 -0.34 0.00 0.00 178.44 179.33 2b5a h ILE 53 N 0.39 0.98 0.00 4.05 2.04 -1.99 -0.03 117.51 122.95 2b5a h ILE 53 Ca 0.46 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.99 2b5a h ILE 53 Cb 0.77 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2b5a h ILE 53 CO -0.47 0.09 -0.74 0.78 0.00 0.00 0.00 178.15 177.81 2b5a h ASN 54 N 0.49 0.00 -0.41 1.72 2.35 -1.70 -0.90 115.58 117.13 2b5a h ASN 54 Ca 0.20 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.98 2b5a h ASN 54 Cb 0.09 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2b5a h ASN 54 CO -0.13 0.74 0.22 0.40 -1.65 0.00 0.00 177.43 177.00 2b5a h ILE 55 N 0.00 0.99 -0.25 2.81 2.04 -0.60 -0.56 117.51 121.94 2b5a h ILE 55 Ca -0.01 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2b5a h ILE 55 Cb 1.35 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2b5a h ILE 55 CO 0.10 0.08 0.14 -0.74 0.00 0.00 0.00 178.15 177.73 2b5a h HIS 56 N 0.44 0.33 -0.60 1.37 2.76 -0.66 -0.61 115.15 118.17 2b5a h HIS 56 Ca 0.17 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 2b5a h HIS 56 Cb 0.06 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 2b5a h HIS 56 CO -0.09 0.26 0.32 0.87 -1.30 0.00 0.00 177.93 177.99 2b5a h LYS 57 N 0.30 0.85 -0.29 5.26 1.57 -0.99 -0.80 116.57 122.46 2b5a h LYS 57 Ca 0.09 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2b5a h LYS 57 Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2b5a h LYS 57 CO -0.02 0.66 -0.10 0.82 -0.57 0.00 0.00 179.45 180.24 2b5a h ILE 58 N 0.82 1.29 -0.41 1.86 2.04 -0.90 -1.14 117.51 121.07 2b5a h ILE 58 Ca 0.21 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 2b5a h ILE 58 Cb 0.07 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2b5a h ILE 58 CO -0.03 0.37 0.14 0.00 0.00 0.00 0.00 178.15 178.63 2b5a h ALA 60 N 0.99 0.96 -0.96 0.00 0.00 -1.11 -1.37 119.26 117.77 2b5a h ALA 60 Ca 0.13 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2b5a h ALA 60 Cb 0.24 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 2b5a h ALA 60 CO -0.01 0.48 0.63 0.00 0.00 0.00 0.00 179.25 180.35 2b5a h ALA 61 N 1.20 1.42 -0.16 0.00 0.00 -0.94 -1.49 119.26 119.30 2b5a h ALA 61 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2b5a h ALA 61 Cb 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2b5a h ALA 61 CO -0.04 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2b5a n LEU 62 N -4.47 1.14 -3.74 0.00 4.77 -0.56 -4.93 117.00 109.21 2b5a n LEU 62 Ca 0.14 -0.52 -0.22 0.00 -0.03 0.00 0.00 56.01 55.38 2b5a n LEU 62 Cb 0.15 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2b5a n LEU 62 CO 0.33 0.26 -0.07 -0.67 -1.33 0.00 0.00 177.39 175.92 2b5a n ASP 63 N 0.03 -1.41 -3.88 -1.43 2.03 -0.56 -5.00 116.55 106.33 2b5a n ASP 63 Ca 0.12 -0.83 -0.14 0.00 0.52 0.00 0.00 54.79 54.46 2b5a n ASP 63 Cb 0.22 -3.95 -0.15 0.00 -0.72 0.00 0.00 41.12 36.52 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 -3.66 0.16 0.50 5.18 2.07 -0.60 -5.04 121.20 119.81 2b5a s ILE 64 Ca 0.06 -0.04 -0.22 0.00 -1.41 0.00 0.00 60.65 59.04 2b5a s ILE 64 Cb -0.03 -0.18 -0.06 0.00 0.13 0.00 0.00 42.46 42.32 2b5a s ILE 64 CO 0.82 0.07 1.23 -2.84 -1.91 0.00 0.00 174.94 172.31 2b5a s PRO 65 N 0.23 3.50 0.36 3.50 0.02 -1.26 -4.11 135.00 137.25 2b5a s PRO 65 Ca -0.02 1.92 0.07 0.00 0.02 0.00 0.00 61.00 62.98 2b5a s PRO 65 Cb -0.04 -2.31 0.76 0.00 0.02 0.00 0.00 34.50 32.92 2b5a s PRO 65 CO -0.01 -0.80 1.94 0.00 -0.33 0.00 0.00 177.00 177.80 2b5a h ALA 66 N 1.76 1.74 -0.94 -1.55 0.00 -1.93 -0.90 119.26 117.43 2b5a h ALA 66 Ca -0.50 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.46 2b5a h ALA 66 Cb 1.27 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2b5a h ALA 66 CO 0.59 0.13 0.60 0.66 0.00 0.00 0.00 179.25 181.23 2b5a h SER 67 N 0.74 0.96 -0.41 0.00 4.64 -1.99 -0.74 113.55 116.75 2b5a h SER 67 Ca 0.33 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.53 2b5a h SER 67 Cb 0.35 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2b5a h SER 67 CO -0.12 0.62 -0.28 0.74 -0.87 0.00 0.00 176.83 176.91 2b5a h THR 68 N 1.10 1.27 -0.14 2.95 2.02 -1.56 -0.56 112.91 117.98 2b5a h THR 68 Ca 0.41 -1.45 0.04 0.00 0.77 0.00 0.00 66.41 66.18 2b5a h THR 68 Cb 0.16 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2b5a h THR 68 CO -0.17 0.49 -0.12 0.15 0.37 0.00 0.00 175.52 176.24 2b5a h PHE 69 N 0.74 -0.31 -0.38 3.16 3.57 -0.87 -1.25 116.94 121.61 2b5a h PHE 69 Ca 0.08 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 2b5a h PHE 69 Cb 0.87 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 2b5a h PHE 69 CO 0.06 -0.18 -0.15 0.74 -2.23 0.00 0.00 178.31 176.54 2b5a h PHE 70 N -0.14 0.76 -0.46 0.41 0.04 -1.05 -1.41 116.94 115.09 2b5a h PHE 70 Ca 0.09 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.73 2b5a h PHE 70 Cb 0.28 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 2b5a h PHE 70 CO -0.25 0.80 0.28 -0.09 -0.60 0.00 0.00 178.31 178.45 2b5a h ARG 71 N 0.62 0.56 -0.90 1.51 2.43 -0.79 0.76 114.38 118.57 2b5a h ARG 71 Ca 0.10 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2b5a h ARG 71 Cb 0.61 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 2b5a h ARG 71 CO 0.04 0.37 0.59 0.87 -1.51 0.00 0.00 179.97 180.33 2b5a h LYS 72 N 0.57 1.20 -0.63 0.20 1.57 -0.90 -0.81 116.57 117.77 2b5a h LYS 72 Ca 0.18 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2b5a h LYS 72 Cb -0.02 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.00 2b5a h LYS 72 CO -0.06 0.80 0.17 1.98 -0.57 0.00 0.00 179.45 181.76 2b5a h MET 73 N 1.23 1.00 0.00 3.15 4.05 -0.84 -2.83 114.93 120.69 2b5a h MET 73 Ca 0.33 -0.23 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 2b5a h MET 73 Cb -0.13 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.52 2b5a h MET 73 CO -0.07 0.90 -0.31 0.93 0.23 0.00 0.00 176.91 178.59 2b5a h GLU 74 N 0.92 0.00 0.00 0.39 5.08 -0.02 -2.52 114.58 118.44 2b5a h GLU 74 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2b5a h GLU 74 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2b5a h GLU 74 CO -0.00 0.31 0.00 0.39 -1.00 0.00 0.00 179.01 178.70 2b5a n GLU 75 N -3.93 0.11 0.03 2.33 1.02 -0.39 -3.73 120.64 116.09 2b5a n GLU 75 Ca -0.02 0.17 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 2b5a n GLU 75 Cb 0.37 -1.65 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 2b5a n GLU 75 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2b5a h GLU 76 N 0.00 -0.01 0.00 3.49 4.81 -1.38 -3.51 114.58 117.99 2b5a h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2b5a h GLU 76 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2b5a h GLU 76 CO 0.00 0.07 0.00 -1.71 -0.73 0.00 0.00 179.01 176.64