#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juw n ALA 2 N 0.00 2.34 -1.56 -5.12 0.00 -1.26 -5.08 120.51 109.84 2juw n ALA 2 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2juw n ALA 2 Cb 0.00 0.28 0.07 0.00 0.00 0.00 0.00 19.45 19.80 2juw n ALA 2 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2juw s ILE 3 N -1.71 2.34 -0.10 0.00 -4.36 -1.26 -4.83 121.20 111.28 2juw s ILE 3 Ca 0.00 0.19 -0.37 0.00 -0.26 0.00 0.00 60.65 60.21 2juw s ILE 3 Cb 0.00 -2.91 -0.14 0.00 1.25 0.00 0.00 42.46 40.66 2juw s ILE 3 CO 0.00 -0.07 1.72 0.00 0.24 0.00 0.00 174.94 176.83 2juw n GLN 4 N -2.22 1.67 -0.38 0.37 10.64 -1.26 -4.85 117.38 121.36 2juw n GLN 4 Ca 0.14 0.61 0.09 0.00 -1.83 0.00 0.00 57.00 56.01 2juw n GLN 4 Cb 0.50 -2.36 0.27 0.00 -0.86 0.00 0.00 30.24 27.79 2juw n GLN 4 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2juw n SER 5 N 5.23 3.82 -4.55 2.61 7.64 -1.26 -4.89 113.62 122.22 2juw n SER 5 Ca 0.23 -2.20 -0.42 0.00 1.01 0.00 0.00 58.87 57.49 2juw n SER 5 Cb 0.22 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 2juw n SER 5 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2juw s LYS 6 N -1.37 3.35 0.29 1.43 2.20 -1.26 -4.85 119.74 119.54 2juw s LYS 6 Ca 0.40 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 2juw s LYS 6 Cb 0.24 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2juw s LYS 6 CO 0.23 -1.81 0.00 0.66 -0.36 0.00 0.00 175.35 174.07 2juw n TYR 7 N 8.55 -2.19 -3.63 4.03 4.01 -1.26 -5.03 117.16 121.64 2juw n TYR 7 Ca 0.05 0.36 -0.12 0.00 -0.16 0.00 0.00 57.90 58.03 2juw n TYR 7 Cb 0.49 -0.65 -0.07 0.00 -0.31 0.00 0.00 39.34 38.80 2juw n TYR 7 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2juw s SER 8 N -3.39 -0.58 0.15 7.72 0.15 -1.26 -5.02 113.70 111.47 2juw s SER 8 Ca 0.00 1.07 -0.15 0.00 0.70 0.00 0.00 55.95 57.57 2juw s SER 8 Cb 0.00 1.07 0.02 0.00 -1.71 0.00 0.00 66.02 65.40 2juw s SER 8 CO 0.00 -0.22 1.77 -1.13 1.20 0.00 0.00 173.24 174.86 2juw h ASN 9 N 4.38 0.54 -0.44 5.45 -0.73 -1.99 -0.37 115.58 122.42 2juw h ASN 9 Ca -0.28 -0.07 -0.02 0.00 1.87 0.00 0.00 56.30 57.80 2juw h ASN 9 Cb 1.17 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.60 2juw h ASN 9 CO 0.11 0.46 0.19 0.74 -0.37 0.00 0.00 177.43 178.56 2juw h THR 10 N 0.58 1.19 0.45 -3.57 2.02 -1.99 -1.57 112.91 110.03 2juw h THR 10 Ca 0.16 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2juw h THR 10 Cb 0.03 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2juw h THR 10 CO -0.03 0.21 -0.43 -0.61 0.37 0.00 0.00 175.52 175.03 2juw h GLN 11 N 0.56 -0.86 -0.41 6.66 4.15 -1.86 -0.62 115.11 122.72 2juw h GLN 11 Ca 0.15 0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 2juw h GLN 11 Cb 0.16 0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 2juw h GLN 11 CO -0.02 -0.57 0.24 0.28 -1.93 0.00 0.00 178.83 176.83 2juw h VAL 12 N -0.89 1.14 -0.50 2.39 2.07 -1.03 -1.20 116.25 118.22 2juw h VAL 12 Ca -0.05 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2juw h VAL 12 Cb 0.78 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2juw h VAL 12 CO -0.05 0.14 0.22 -0.08 0.02 0.00 0.00 177.57 177.82 2juw h GLU 13 N 0.54 0.73 -0.59 1.57 4.81 -1.22 0.08 114.58 120.49 2juw h GLU 13 Ca 0.15 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2juw h GLU 13 Cb 0.01 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2juw h GLU 13 CO -0.03 0.62 0.14 0.77 -0.73 0.00 0.00 179.01 179.79 2juw h SER 14 N 0.66 0.87 0.54 1.04 0.02 -0.86 -0.50 113.55 115.32 2juw h SER 14 Ca 0.17 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2juw h SER 14 Cb 0.15 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.47 2juw h SER 14 CO -0.02 0.85 -0.26 -0.07 -1.14 0.00 0.00 176.83 176.19 2juw h LEU 15 N 0.89 -0.62 -0.58 5.07 4.07 -0.78 -1.32 115.31 122.04 2juw h LEU 15 Ca 0.19 -0.04 0.11 0.00 0.08 0.00 0.00 57.88 58.22 2juw h LEU 15 Cb 0.33 0.16 -0.09 0.00 1.08 0.00 0.00 40.66 42.14 2juw h LEU 15 CO 0.00 -0.33 0.09 0.40 -1.08 0.00 0.00 178.44 177.52 2juw h ILE 16 N -0.90 0.62 -0.08 1.22 2.04 -0.83 0.13 117.51 119.71 2juw h ILE 16 Ca -0.07 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.73 2juw h ILE 16 Cb 0.62 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2juw h ILE 16 CO 0.12 0.04 -0.03 0.00 0.00 0.00 0.00 178.15 178.28 2juw h ALA 17 N 1.48 0.04 -0.41 1.87 0.00 -1.07 -2.31 119.26 118.86 2juw h ALA 17 Ca 0.30 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2juw h ALA 17 Cb 0.46 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2juw h ALA 17 CO -0.42 -0.50 -0.05 1.49 0.00 0.00 0.00 179.25 179.77 2juw h GLU 18 N -0.02 0.70 -0.39 0.00 4.81 -0.17 0.22 114.58 119.73 2juw h GLU 18 Ca 0.04 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2juw h GLU 18 Cb 0.09 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2juw h GLU 18 CO -0.10 0.75 0.24 0.82 -0.73 0.00 0.00 179.01 179.99 2juw h ILE 19 N 0.65 1.07 -0.24 2.32 1.08 -0.82 -1.40 117.51 120.15 2juw h ILE 19 Ca 0.12 -0.17 -0.12 0.00 -0.39 0.00 0.00 64.86 64.30 2juw h ILE 19 Cb 0.48 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 2juw h ILE 19 CO 0.02 0.09 -0.36 -0.07 -0.69 0.00 0.00 178.15 177.14 2juw h LEU 20 N 0.49 0.56 -1.17 1.44 3.38 -0.81 -2.67 115.31 116.53 2juw h LEU 20 Ca 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2juw h LEU 20 Cb -0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2juw h LEU 20 CO -0.05 0.88 0.43 0.58 0.09 0.00 0.00 178.44 180.37 2juw h VAL 21 N 0.45 1.21 0.12 1.22 2.07 -0.18 -0.07 116.25 121.08 2juw h VAL 21 Ca 0.05 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2juw h VAL 21 Cb 0.84 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2juw h VAL 21 CO 0.07 0.22 -0.06 0.58 0.02 0.00 0.00 177.57 178.40 2juw h VAL 22 N 1.02 0.92 -0.27 2.57 2.07 -0.94 0.40 116.25 122.03 2juw h VAL 22 Ca 0.26 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.67 2juw h VAL 22 Cb -0.03 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2juw h VAL 22 CO -0.05 0.04 -0.18 -0.07 0.02 0.00 0.00 177.57 177.34 2juw h LEU 23 N -0.25 -0.58 -0.95 2.57 3.38 -1.18 -2.39 115.31 115.92 2juw h LEU 23 Ca -0.02 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2juw h LEU 23 Cb 0.20 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2juw h LEU 23 CO 0.03 -0.21 -0.27 -0.33 0.09 0.00 0.00 178.44 177.74 2juw h GLU 24 N -0.16 0.00 -0.65 1.13 4.39 -0.88 -1.15 114.58 117.26 2juw h GLU 24 Ca 0.14 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 2juw h GLU 24 Cb 0.38 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2juw h GLU 24 CO -0.36 0.27 0.12 -0.22 -1.16 0.00 0.00 179.01 177.66 2juw h LYS 25 N 0.00 1.05 -0.00 2.33 3.64 0.29 -0.89 116.57 122.99 2juw h LYS 25 Ca -0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2juw h LYS 25 Cb 0.84 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2juw h LYS 25 CO 0.04 0.95 -0.13 0.72 -2.27 0.00 0.00 179.45 178.76 2juw n HIS 26 N -4.22 0.00 -3.58 1.91 8.25 -0.99 -4.93 115.22 111.66 2juw n HIS 26 Ca 0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.28 2juw n HIS 26 Cb 0.28 -0.21 0.07 0.00 1.12 0.00 0.00 29.99 31.25 2juw n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2juw n LYS 27 N -1.02 -7.05 -2.31 -0.41 4.76 -0.34 -4.94 118.16 106.85 2juw n LYS 27 Ca 0.13 0.80 -0.42 0.00 -2.87 0.00 0.00 58.31 55.94 2juw n LYS 27 Cb 0.29 -5.79 -0.03 0.00 -1.84 0.00 0.00 35.03 27.67 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2juw s ALA 28 N -3.36 3.56 1.00 7.82 0.00 -0.50 -5.00 121.76 125.27 2juw s ALA 28 Ca 0.35 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 2juw s ALA 28 Cb -0.16 -3.57 0.18 0.00 0.00 0.00 0.00 23.12 19.56 2juw s ALA 28 CO 0.75 -0.89 1.01 -2.30 0.00 0.00 0.00 175.76 174.32 2juw n PRO 29 N 5.46 -1.02 -0.35 0.00 -0.02 -1.26 -4.52 135.00 133.28 2juw n PRO 29 Ca 0.13 -0.24 0.06 0.00 -2.02 0.00 0.00 63.50 61.42 2juw n PRO 29 Cb 0.45 -2.25 0.24 0.00 -0.02 0.00 0.00 33.50 31.91 2juw n PRO 29 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2juw h THR 30 N -2.09 0.96 -0.27 3.45 2.02 -1.98 0.36 112.91 115.36 2juw h THR 30 Ca -0.48 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.40 2juw h THR 30 Cb 1.29 -0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 2juw h THR 30 CO 0.42 0.19 -0.02 -0.78 0.37 0.00 0.00 175.52 175.70 2juw h ASP 31 N 1.02 -0.16 -0.08 4.18 3.58 -1.99 -0.46 116.42 122.51 2juw h ASP 31 Ca 0.47 0.07 -0.22 0.00 0.42 0.00 0.00 57.03 57.77 2juw h ASP 31 Cb 0.42 0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.61 2juw h ASP 31 CO -0.23 -0.05 -0.81 0.25 -2.88 0.00 0.00 179.24 175.52 2juw h LEU 32 N 0.05 0.85 -0.75 2.28 5.85 -1.51 -2.57 115.31 119.51 2juw h LEU 32 Ca 0.13 -0.68 -0.07 0.00 0.84 0.00 0.00 57.88 58.09 2juw h LEU 32 Cb 0.18 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2juw h LEU 32 CO -0.24 1.41 0.12 0.77 -0.34 0.00 0.00 178.44 180.16 2juw h SER 33 N 0.36 1.02 -0.24 1.25 4.64 -0.23 0.77 113.55 121.12 2juw h SER 33 Ca -0.08 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 2juw h SER 33 Cb 1.46 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 2juw h SER 33 CO 0.16 1.00 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.94 2juw h LEU 34 N 1.01 0.64 0.50 5.97 3.38 -1.11 0.12 115.31 125.81 2juw h LEU 34 Ca 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2juw h LEU 34 Cb 0.41 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2juw h LEU 34 CO 0.01 0.79 -0.25 0.24 0.09 0.00 0.00 178.44 179.32 2juw h MET 35 N 0.59 -0.66 -0.36 1.13 2.86 -0.96 0.18 114.93 117.71 2juw h MET 35 Ca 0.10 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2juw h MET 35 Cb 0.56 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 2juw h MET 35 CO 0.03 -0.44 0.16 0.00 1.06 0.00 0.00 176.91 177.72 2juw h ALA 36 N -0.19 0.43 -0.50 6.32 0.00 -0.62 0.11 119.26 124.82 2juw h ALA 36 Ca -0.07 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2juw h ALA 36 Cb 0.53 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2juw h ALA 36 CO 0.11 -0.22 -0.05 -0.07 0.00 0.00 0.00 179.25 179.02 2juw h LEU 37 N 0.34 0.91 -0.23 0.00 3.38 -0.77 0.19 115.31 119.13 2juw h LEU 37 Ca 0.16 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2juw h LEU 37 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2juw h LEU 37 CO -0.13 1.02 0.09 1.23 0.09 0.00 0.00 178.44 180.74 2juw h GLY 38 N 0.77 0.28 1.38 0.83 0.00 -0.15 0.42 103.07 106.61 2juw h GLY 38 Ca 0.14 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 2juw h GLY 38 CO 0.04 0.04 -0.10 3.43 0.00 0.00 0.00 176.54 179.95 2juw h ASN 39 N 0.20 0.72 0.55 0.19 -0.26 -0.65 -2.12 115.58 114.21 2juw h ASN 39 Ca 0.10 -0.21 -0.02 0.00 -0.56 0.00 0.00 56.30 55.60 2juw h ASN 39 Cb 0.05 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 2juw h ASN 39 CO -0.09 0.86 -0.30 0.00 -1.06 0.00 0.00 177.43 176.84 2juw h VAL 41 N -0.78 1.18 0.00 0.00 2.07 -0.91 -0.95 116.25 116.86 2juw h VAL 41 Ca -0.07 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 2juw h VAL 41 Cb 0.62 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2juw h VAL 41 CO 0.10 0.18 -0.53 0.74 0.02 0.00 0.00 177.57 178.08 2juw h THR 42 N 0.88 1.32 -0.59 2.57 2.02 -1.27 -1.86 112.91 115.96 2juw h THR 42 Ca 0.23 -1.84 -0.09 0.00 0.77 0.00 0.00 66.41 65.48 2juw h THR 42 Cb -0.05 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 2juw h THR 42 CO -0.05 0.52 0.02 -0.74 0.37 0.00 0.00 175.52 175.64 2juw h HIS 43 N 0.00 1.13 -0.70 3.16 6.17 0.15 -1.94 115.15 123.11 2juw h HIS 43 Ca -0.01 -0.19 -0.01 0.00 0.71 0.00 0.00 60.37 60.87 2juw h HIS 43 Cb 0.97 -0.30 -0.03 0.00 2.52 0.00 0.00 27.41 30.57 2juw h HIS 43 CO 0.00 0.99 0.38 -0.07 0.71 0.00 0.00 177.93 179.95 2juw h LEU 44 N 0.93 0.86 0.55 0.26 3.38 -0.65 -0.63 115.31 120.02 2juw h LEU 44 Ca 0.17 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2juw h LEU 44 Cb 0.53 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2juw h LEU 44 CO 0.03 0.70 -0.26 -0.07 0.09 0.00 0.00 178.44 178.92 2juw h LEU 45 N 0.98 -0.63 0.00 1.67 3.38 -1.01 -1.15 115.31 118.56 2juw h LEU 45 Ca 0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2juw h LEU 45 Cb 0.03 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2juw h LEU 45 CO -0.04 -0.43 0.00 -1.84 0.09 0.00 0.00 178.44 176.22 2juw n GLU 46 N -5.40 0.40 -0.10 1.13 -0.00 -0.76 -0.67 120.64 115.24 2juw n GLU 46 Ca -0.12 0.04 -0.17 0.00 -0.00 0.00 0.00 57.16 56.90 2juw n GLU 46 Cb 0.31 -1.50 -0.09 0.00 -0.00 0.00 0.00 31.44 30.16 2juw n GLU 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2juw n ARG 47 N -1.27 0.53 -0.10 3.44 0.63 -0.26 -4.71 116.66 114.93 2juw n ARG 47 Ca 0.13 0.55 -0.17 0.00 -0.92 0.00 0.00 57.85 57.44 2juw n ARG 47 Cb 0.20 -1.72 -0.13 0.00 0.45 0.00 0.00 32.46 31.26 2juw n ARG 47 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2juw n LYS 48 N -4.48 0.67 -3.46 -0.14 0.00 -0.45 -4.94 118.16 105.36 2juw n LYS 48 Ca -0.26 0.15 -0.37 0.00 0.00 0.00 0.00 58.31 57.83 2juw n LYS 48 Cb 0.58 -1.56 -0.07 0.00 0.00 0.00 0.00 35.03 33.98 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2juw s VAL 49 N -2.52 5.26 0.66 3.15 1.01 0.16 -5.06 120.40 123.06 2juw s VAL 49 Ca -0.29 0.66 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 2juw s VAL 49 Cb 0.08 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 2juw s VAL 49 CO 0.67 0.35 1.16 -0.81 0.00 0.00 0.00 175.10 176.46 2juw n PRO 50 N 3.79 0.91 -0.30 2.72 -0.04 -1.26 -4.40 135.00 136.42 2juw n PRO 50 Ca -0.10 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 2juw n PRO 50 Cb 0.52 -2.39 0.29 0.00 -0.04 0.00 0.00 33.50 31.88 2juw n PRO 50 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2juw h SER 51 N 0.31 0.27 0.92 3.54 0.02 -1.95 0.56 113.55 117.21 2juw h SER 51 Ca -0.50 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 2juw h SER 51 Cb 1.34 0.15 0.01 0.00 0.14 0.00 0.00 62.40 64.04 2juw h SER 51 CO 0.51 -0.02 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.41 2juw h GLU 52 N 0.37 -1.19 0.00 3.45 3.07 -2.01 -2.93 114.58 115.34 2juw h GLU 52 Ca 0.54 0.08 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 2juw h GLU 52 Cb 1.03 0.27 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 2juw h GLU 52 CO -0.54 -0.79 0.00 0.77 -1.40 0.00 0.00 179.01 177.05 2juw h SER 53 N -1.25 0.00 -1.00 1.42 0.02 -1.73 -2.92 113.55 108.10 2juw h SER 53 Ca -0.13 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2juw h SER 53 Cb 0.94 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.42 2juw h SER 53 CO 0.21 0.00 0.64 -0.09 -1.14 0.00 0.00 176.83 176.45 2juw h ARG 54 N 0.00 1.13 -0.11 3.45 2.43 0.29 0.17 114.38 121.74 2juw h ARG 54 Ca 0.00 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2juw h ARG 54 Cb 0.58 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2juw h ARG 54 CO 0.00 0.75 -0.26 1.96 -1.51 0.00 0.00 179.97 180.91 2juw h GLN 55 N 1.17 0.37 -0.19 0.20 4.20 -1.48 -2.37 115.11 117.00 2juw h GLN 55 Ca 0.43 -0.25 0.04 0.00 0.06 0.00 0.00 58.65 58.93 2juw h GLN 55 Cb 0.17 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 2juw h GLN 55 CO -0.17 0.86 -0.08 0.00 -0.67 0.00 0.00 178.83 178.77 2juw h ALA 56 N 0.51 0.09 -0.60 3.87 0.00 -1.41 0.21 119.26 121.93 2juw h ALA 56 Ca -0.00 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2juw h ALA 56 Cb 0.87 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2juw h ALA 56 CO 0.06 -0.51 0.02 0.28 0.00 0.00 0.00 179.25 179.10 2juw h VAL 57 N -0.05 1.26 -0.42 0.00 2.07 -0.78 -0.52 116.25 117.81 2juw h VAL 57 Ca 0.10 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.53 2juw h VAL 57 Cb 0.20 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2juw h VAL 57 CO -0.23 0.40 0.24 0.00 0.02 0.00 0.00 177.57 178.01 2juw h ALA 58 N 1.06 0.53 0.05 1.67 0.00 -0.81 0.23 119.26 121.99 2juw h ALA 58 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2juw h ALA 58 Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2juw h ALA 58 CO 0.03 -0.08 -0.02 0.93 0.00 0.00 0.00 179.25 180.10 2juw h GLU 59 N 0.49 -0.06 -0.43 0.00 5.08 -0.36 0.03 114.58 119.33 2juw h GLU 59 Ca 0.17 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 2juw h GLU 59 Cb 0.01 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2juw h GLU 59 CO -0.08 0.02 0.13 1.96 -1.00 0.00 0.00 179.01 180.03 2juw h GLN 60 N -0.12 0.27 -0.23 2.33 4.20 -0.74 0.27 115.11 121.09 2juw h GLN 60 Ca -0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2juw h GLN 60 Cb 0.10 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2juw h GLN 60 CO 0.01 0.18 0.14 0.35 -0.67 0.00 0.00 178.83 178.84 2juw h PHE 61 N 0.28 0.31 -0.72 2.96 3.57 -0.39 0.25 116.94 123.20 2juw h PHE 61 Ca 0.21 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2juw h PHE 61 Cb 0.23 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2juw h PHE 61 CO -0.18 0.25 0.32 0.00 -2.23 0.00 0.00 178.31 176.47 2juw h ALA 62 N 1.04 0.93 -0.31 2.41 0.00 -0.40 0.40 119.26 123.31 2juw h ALA 62 Ca 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2juw h ALA 62 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2juw h ALA 62 CO -0.02 0.52 -0.06 0.87 0.00 0.00 0.00 179.25 180.57 2juw h LYS 63 N 1.01 0.59 -0.66 0.00 1.57 -0.25 -1.34 116.57 117.49 2juw h LYS 63 Ca 0.24 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2juw h LYS 63 Cb 0.16 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2juw h LYS 63 CO -0.03 0.77 0.12 0.00 -0.57 0.00 0.00 179.45 179.74 2juw h ALA 64 N 0.81 0.87 0.44 3.86 0.00 -0.23 0.92 119.26 125.94 2juw h ALA 64 Ca 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2juw h ALA 64 Cb 0.54 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2juw h ALA 64 CO 0.03 0.63 -0.25 1.25 0.00 0.00 0.00 179.25 180.91 2juw h LEU 65 N 1.00 -0.61 -1.00 0.00 5.85 -0.11 -0.52 115.31 119.92 2juw h LEU 65 Ca 0.20 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 2juw h LEU 65 Cb 0.42 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2juw h LEU 65 CO 0.01 -0.40 0.11 0.00 -0.34 0.00 0.00 178.44 177.81 2juw h ALA 66 N -0.11 1.18 -0.58 1.25 0.00 -1.16 -2.46 119.26 117.37 2juw h ALA 66 Ca -0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2juw h ALA 66 Cb 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2juw h ALA 66 CO 0.07 0.55 0.14 0.37 0.00 0.00 0.00 179.25 180.38 2juw h GLN 67 N 0.80 0.91 -0.31 0.00 4.15 -0.60 0.18 115.11 120.24 2juw h GLN 67 Ca 0.17 -0.19 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 2juw h GLN 67 Cb 0.33 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2juw h GLN 67 CO 0.00 0.81 -0.23 0.77 -1.93 0.00 0.00 178.83 178.25 2juw h SER 68 N 0.87 0.61 -0.25 -0.69 0.02 -0.67 0.62 113.55 114.06 2juw h SER 68 Ca 0.19 -0.21 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 2juw h SER 68 Cb 0.31 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2juw h SER 68 CO -0.00 0.83 -0.53 0.58 -1.14 0.00 0.00 176.83 176.57 2juw h VAL 69 N 0.53 1.29 -0.32 2.27 2.07 -0.98 -3.29 116.25 117.82 2juw h VAL 69 Ca 0.08 -1.73 -0.04 0.00 0.82 0.00 0.00 66.70 65.84 2juw h VAL 69 Cb 0.68 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2juw h VAL 69 CO 0.05 0.55 0.06 0.50 0.02 0.00 0.00 177.57 178.75 2juw h LYS 70 N 0.55 0.53 0.00 1.57 3.64 -0.36 -3.16 116.57 119.34 2juw h LYS 70 Ca 0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2juw h LYS 70 Cb 1.14 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2juw h LYS 70 CO 0.12 0.61 0.00 0.66 -2.27 0.00 0.00 179.45 178.57 2juw h SER 71 N 0.36 0.00 1.48 4.20 4.64 -0.94 0.61 113.55 123.89 2juw h SER 71 Ca 0.10 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 2juw h SER 71 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2juw h SER 71 CO 0.00 0.00 -0.27 0.78 -0.87 0.00 0.00 176.83 176.47 2juw h ASN 72 N 0.00 0.00 0.00 4.97 2.35 -1.61 -3.38 115.58 117.91 2juw h ASN 72 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2juw h ASN 72 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2juw h ASN 72 CO 0.00 0.27 -0.61 0.18 -1.65 0.00 0.00 177.43 175.62 2juw n LEU 73 N -3.22 1.21 -4.31 1.61 4.32 0.30 -4.95 117.00 111.95 2juw n LEU 73 Ca 0.02 0.20 -0.36 0.00 -0.02 0.00 0.00 56.01 55.85 2juw n LEU 73 Cb 0.58 -0.63 -0.13 0.00 -1.62 0.00 0.00 43.42 41.62 2juw n LEU 73 CO 0.36 -0.37 -0.32 -0.70 -1.22 0.00 0.00 177.39 175.15 2juw s GLU 74 N -2.19 3.10 0.81 3.23 -6.30 0.19 -5.09 118.70 112.45 2juw s GLU 74 Ca -0.18 -0.83 -0.13 0.00 -2.50 0.00 0.00 54.97 51.33 2juw s GLU 74 Cb 0.02 -3.24 0.19 0.00 0.00 0.00 0.00 34.13 31.10 2juw s GLU 74 CO 0.26 -0.39 1.11 0.72 0.02 0.00 0.00 175.26 176.98 2juw n HIS 75 N 4.82 -3.88 -3.73 5.30 8.25 -1.26 -3.65 115.22 121.06 2juw n HIS 75 Ca -0.15 -1.07 -0.16 0.00 -0.26 0.00 0.00 57.72 56.08 2juw n HIS 75 Cb 0.48 -0.85 -0.16 0.00 1.12 0.00 0.00 29.99 30.58 2juw n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2juw s HIS 76 N -3.39 -0.01 -0.18 4.41 2.46 -1.26 -4.99 115.29 112.33 2juw s HIS 76 Ca 0.64 0.26 0.00 0.00 0.47 0.00 0.00 55.06 56.43 2juw s HIS 76 Cb -0.02 -0.28 0.01 0.00 -0.13 0.00 0.00 32.58 32.17 2juw s HIS 76 CO 0.44 -0.14 -0.18 -1.01 -2.47 0.00 0.00 174.74 171.39 2juw s HIS 77 N 1.47 2.79 0.13 3.88 3.76 -1.26 -5.01 115.29 121.05 2juw s HIS 77 Ca -0.05 -1.44 -0.21 0.00 -0.15 0.00 0.00 55.06 53.21 2juw s HIS 77 Cb -0.12 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.62 2juw s HIS 77 CO -0.04 -0.71 1.68 1.25 -0.85 0.00 0.00 174.74 176.07 2juw h HIS 78 N 7.81 -0.30 0.00 1.40 2.76 -2.08 -3.46 115.15 121.28 2juw h HIS 78 Ca -0.42 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 2juw h HIS 78 Cb 1.16 0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.27 2juw h HIS 78 CO 0.49 -0.18 0.00 0.72 -1.30 0.00 0.00 177.93 177.66 2juw n HIS 79 N -5.27 0.00 -1.76 5.26 8.25 -1.26 -5.37 115.22 115.06 2juw n HIS 79 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2juw n HIS 79 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2juw n HIS 79 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56