#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 -1.16 -2.58 -5.12 0.00 -1.26 -4.63 120.51 105.76 2juw n ALA 2 Ca 0.00 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.15 2juw n ALA 2 Cb 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 2juw n ALA 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2juw s ILE 3 N -0.91 4.37 -0.25 0.00 1.01 -1.26 -4.86 121.20 119.30 2juw s ILE 3 Ca 0.00 0.89 0.15 0.00 0.00 0.00 0.00 60.65 61.68 2juw s ILE 3 Cb 0.00 -4.50 0.78 0.00 0.01 0.00 0.00 42.46 38.75 2juw s ILE 3 CO 0.00 -0.92 1.70 0.00 0.00 0.00 0.00 174.94 175.72 2juw n GLN 4 N 7.44 4.59 -0.05 2.79 1.13 -1.26 -5.07 117.38 126.95 2juw n GLN 4 Ca 0.08 -3.12 0.01 0.00 -1.94 0.00 0.00 57.00 52.03 2juw n GLN 4 Cb 0.49 -2.20 -0.00 0.00 0.11 0.00 0.00 30.24 28.63 2juw n GLN 4 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2juw n SER 5 N 0.45 -5.00 0.00 1.08 3.41 -1.26 -4.97 113.62 107.34 2juw n SER 5 Ca 0.27 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2juw n SER 5 Cb 1.15 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 2juw n SER 5 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2juw n LYS 6 N -1.71 0.00 -1.64 4.33 4.81 -1.26 -5.09 118.16 117.61 2juw n LYS 6 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 2juw n LYS 6 Cb 0.02 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.04 2juw n LYS 6 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2juw s TYR 7 N -0.52 1.20 0.36 5.64 2.02 -1.26 -4.93 117.35 119.86 2juw s TYR 7 Ca 0.00 0.82 0.07 0.00 -0.37 0.00 0.00 57.07 57.59 2juw s TYR 7 Cb 0.00 -3.86 -0.02 0.00 -0.40 0.00 0.00 41.96 37.68 2juw s TYR 7 CO 0.00 -3.55 0.36 -1.12 -1.57 0.00 0.00 175.55 169.67 2juw s SER 8 N 9.13 5.40 0.09 2.29 0.01 -1.26 -4.98 113.70 124.38 2juw s SER 8 Ca 0.97 -0.48 -0.31 0.00 1.31 0.00 0.00 55.95 57.45 2juw s SER 8 Cb -0.28 -0.93 -0.14 0.00 0.21 0.00 0.00 66.02 64.89 2juw s SER 8 CO 0.32 -0.45 1.62 -1.13 0.41 0.00 0.00 173.24 174.01 2juw h ASN 9 N 1.10 -0.88 0.14 2.44 -1.24 -2.00 -1.89 115.58 113.24 2juw h ASN 9 Ca -0.44 0.07 -0.03 0.00 0.71 0.00 0.00 56.30 56.61 2juw h ASN 9 Cb 1.26 0.29 -0.00 0.00 0.73 0.00 0.00 38.32 40.59 2juw h ASN 9 CO 0.56 -0.48 -0.13 0.74 -1.29 0.00 0.00 177.43 176.83 2juw h THR 10 N -0.73 1.04 0.36 -3.57 2.02 -1.98 0.06 112.91 110.11 2juw h THR 10 Ca -0.03 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 2juw h THR 10 Cb 0.64 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2juw h THR 10 CO -0.03 0.12 -0.17 -0.61 0.37 0.00 0.00 175.52 175.20 2juw h GLN 11 N 0.00 -0.47 -0.71 6.66 4.15 -1.88 -2.49 115.11 120.38 2juw h GLN 11 Ca -0.00 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 2juw h GLN 11 Cb 0.23 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 2juw h GLN 11 CO 0.02 -0.31 0.27 0.28 -1.93 0.00 0.00 178.83 177.15 2juw h VAL 12 N -0.61 1.25 -0.77 2.39 2.07 -1.19 -2.20 116.25 117.18 2juw h VAL 12 Ca -0.05 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 2juw h VAL 12 Cb 0.37 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2juw h VAL 12 CO 0.08 0.32 0.37 -0.08 0.02 0.00 0.00 177.57 178.28 2juw h GLU 13 N 1.03 1.10 -0.17 1.57 4.81 -1.08 -0.82 114.58 121.02 2juw h GLU 13 Ca 0.24 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 2juw h GLU 13 Cb 0.22 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2juw h GLU 13 CO -0.02 0.86 -0.37 0.77 -0.73 0.00 0.00 179.01 179.52 2juw h SER 14 N 1.08 0.39 0.16 1.04 0.02 -1.03 -0.69 113.55 114.52 2juw h SER 14 Ca 0.26 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2juw h SER 14 Cb 0.12 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2juw h SER 14 CO -0.03 0.73 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.24 2juw h LEU 15 N 0.32 -0.18 -0.46 5.07 4.07 -0.80 -0.98 115.31 122.35 2juw h LEU 15 Ca 0.03 -0.12 0.04 0.00 0.08 0.00 0.00 57.88 57.92 2juw h LEU 15 Cb 0.80 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.55 2juw h LEU 15 CO 0.06 0.01 0.22 0.40 -1.08 0.00 0.00 178.44 178.05 2juw h ILE 16 N -0.36 0.96 -0.60 1.22 2.04 -1.02 -2.11 117.51 117.64 2juw h ILE 16 Ca -0.02 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2juw h ILE 16 Cb 0.29 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2juw h ILE 16 CO 0.04 0.08 0.25 0.00 0.00 0.00 0.00 178.15 178.52 2juw h ALA 17 N 1.25 1.32 -0.52 1.87 0.00 -1.05 -2.50 119.26 119.63 2juw h ALA 17 Ca 0.20 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2juw h ALA 17 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2juw h ALA 17 CO -0.15 0.51 -0.12 1.49 0.00 0.00 0.00 179.25 180.98 2juw h GLU 18 N 0.85 0.99 -0.72 0.00 4.57 -0.54 -1.31 114.58 118.42 2juw h GLU 18 Ca 0.21 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2juw h GLU 18 Cb 0.14 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 2juw h GLU 18 CO -0.02 1.05 0.44 0.82 -1.18 0.00 0.00 179.01 180.12 2juw h ILE 19 N 0.88 1.20 -0.43 2.32 1.08 -1.04 -1.72 117.51 119.81 2juw h ILE 19 Ca 0.13 -0.44 -0.05 0.00 -0.39 0.00 0.00 64.86 64.12 2juw h ILE 19 Cb 0.68 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 2juw h ILE 19 CO 0.05 0.21 0.06 -0.07 -0.69 0.00 0.00 178.15 177.71 2juw h LEU 20 N 0.99 0.61 -1.12 1.44 3.38 -1.14 -1.92 115.31 117.55 2juw h LEU 20 Ca 0.26 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2juw h LEU 20 Cb -0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2juw h LEU 20 CO -0.05 0.65 -0.07 0.58 0.09 0.00 0.00 178.44 179.64 2juw h VAL 21 N 0.63 1.22 0.28 1.22 2.07 -0.46 0.58 116.25 121.79 2juw h VAL 21 Ca 0.14 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 2juw h VAL 21 Cb 0.31 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2juw h VAL 21 CO 0.00 0.31 -0.23 0.58 0.02 0.00 0.00 177.57 178.25 2juw h VAL 22 N 0.51 0.50 -0.04 2.57 2.07 -0.54 0.39 116.25 121.71 2juw h VAL 22 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.65 2juw h VAL 22 Cb 0.43 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2juw h VAL 22 CO 0.02 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.40 2juw h LEU 23 N -0.53 -0.41 -1.47 2.57 3.38 -1.23 -2.84 115.31 114.79 2juw h LEU 23 Ca -0.02 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2juw h LEU 23 Cb 0.47 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2juw h LEU 23 CO -0.02 -0.19 -0.15 -0.08 0.09 0.00 0.00 178.44 178.09 2juw h GLU 24 N -0.21 0.16 0.00 1.13 4.57 -0.68 -1.27 114.58 118.28 2juw h GLU 24 Ca 0.06 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 2juw h GLU 24 Cb 0.29 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2juw h GLU 24 CO -0.16 0.32 -0.19 -0.22 -1.18 0.00 0.00 179.01 177.57 2juw h LYS 25 N 0.16 0.00 -0.03 1.92 3.64 0.02 -0.89 116.57 121.39 2juw h LYS 25 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2juw h LYS 25 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2juw h LYS 25 CO 0.02 0.19 -0.12 0.72 -2.27 0.00 0.00 179.45 177.99 2juw n HIS 26 N -4.19 0.00 -3.74 1.91 8.25 -0.75 -4.96 115.22 111.73 2juw n HIS 26 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 2juw n HIS 26 Cb 0.26 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.41 2juw n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2juw n LYS 27 N 1.00 -6.19 -1.97 -0.41 3.00 -0.34 -4.89 118.16 108.36 2juw n LYS 27 Ca 0.13 0.69 -0.42 0.00 -0.00 0.00 0.00 58.31 58.70 2juw n LYS 27 Cb 0.57 -5.57 -0.03 0.00 0.00 0.00 0.00 35.03 29.99 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2juw s ALA 28 N -3.38 3.64 1.12 3.14 0.00 -0.59 -4.99 121.76 120.70 2juw s ALA 28 Ca 0.45 1.08 -0.13 0.00 0.00 0.00 0.00 51.96 53.36 2juw s ALA 28 Cb -0.22 -3.72 0.26 0.00 0.00 0.00 0.00 23.12 19.44 2juw s ALA 28 CO 0.79 -1.23 1.05 -2.14 0.00 0.00 0.00 175.76 174.23 2juw s PRO 29 N 3.29 -0.55 0.22 0.00 0.02 -1.26 -4.60 135.00 132.11 2juw s PRO 29 Ca 0.74 0.60 -0.08 0.00 0.02 0.00 0.00 61.00 62.28 2juw s PRO 29 Cb -0.37 -1.62 0.33 0.00 0.02 0.00 0.00 34.50 32.87 2juw s PRO 29 CO 0.31 -3.42 1.76 1.15 -0.33 0.00 0.00 177.00 176.48 2juw h THR 30 N -2.39 0.80 -0.24 0.99 2.02 -1.98 0.14 112.91 112.24 2juw h THR 30 Ca -0.58 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 2juw h THR 30 Cb 1.34 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2juw h THR 30 CO 0.53 0.09 0.10 -2.24 0.37 0.00 0.00 175.52 174.37 2juw h ASP 31 N 0.51 0.32 -0.22 4.18 2.03 -1.99 -0.13 116.42 121.12 2juw h ASP 31 Ca 0.34 -0.15 -0.13 0.00 -0.73 0.00 0.00 57.03 56.36 2juw h ASP 31 Cb 0.40 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.81 2juw h ASP 31 CO -0.30 0.38 -0.32 0.25 -1.03 0.00 0.00 179.24 178.22 2juw h LEU 32 N 0.24 0.76 0.35 0.15 5.85 -1.76 -1.55 115.31 119.35 2juw h LEU 32 Ca 0.08 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 2juw h LEU 32 Cb 0.15 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2juw h LEU 32 CO -0.01 1.03 -0.17 0.28 -0.34 0.00 0.00 178.44 179.23 2juw h SER 33 N 0.62 -0.40 -0.43 1.25 0.02 -0.56 -1.45 113.55 112.59 2juw h SER 33 Ca 0.07 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2juw h SER 33 Cb 0.85 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 2juw h SER 33 CO 0.07 -0.14 0.19 -0.07 -1.14 0.00 0.00 176.83 175.75 2juw h LEU 34 N -0.66 0.62 0.34 5.07 3.38 -1.00 0.11 115.31 123.17 2juw h LEU 34 Ca -0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2juw h LEU 34 Cb 0.47 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2juw h LEU 34 CO 0.08 0.56 -0.16 -0.03 0.09 0.00 0.00 178.44 178.98 2juw h MET 35 N 0.68 -0.44 -0.13 1.13 4.05 -1.20 0.15 114.93 119.16 2juw h MET 35 Ca 0.17 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.61 2juw h MET 35 Cb 0.14 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 2juw h MET 35 CO -0.02 -0.19 0.06 0.00 0.23 0.00 0.00 176.91 176.99 2juw h ALA 36 N -0.02 0.17 -0.46 0.39 0.00 -0.95 -1.65 119.26 116.75 2juw h ALA 36 Ca -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2juw h ALA 36 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2juw h ALA 36 CO 0.08 -0.24 0.25 -0.07 0.00 0.00 0.00 179.25 179.26 2juw h LEU 37 N 0.07 0.57 -0.45 0.00 -0.00 -0.82 0.28 115.31 114.97 2juw h LEU 37 Ca 0.05 -0.09 0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2juw h LEU 37 Cb 0.16 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 2juw h LEU 37 CO -0.00 0.50 0.29 1.23 -0.00 0.00 0.00 178.44 180.45 2juw h GLY 38 N 0.60 0.63 1.44 0.83 0.00 -0.58 0.92 103.07 106.92 2juw h GLY 38 Ca 0.16 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 2juw h GLY 38 CO -0.03 0.21 -0.17 3.43 0.00 0.00 0.00 176.54 179.99 2juw h ASN 39 N 0.59 0.65 -0.05 0.19 -0.26 -1.09 -2.13 115.58 113.47 2juw h ASN 39 Ca 0.17 -0.20 -0.00 0.00 -0.56 0.00 0.00 56.30 55.70 2juw h ASN 39 Cb -0.05 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.03 2juw h ASN 39 CO -0.05 0.83 0.02 0.00 -1.06 0.00 0.00 177.43 177.18 2juw h VAL 41 N -0.05 1.01 -0.60 0.00 2.07 -0.68 0.79 116.25 118.79 2juw h VAL 41 Ca 0.02 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 2juw h VAL 41 Cb 0.14 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2juw h VAL 41 CO -0.00 0.16 0.03 0.74 0.02 0.00 0.00 177.57 178.52 2juw h THR 42 N 0.89 1.26 0.00 2.57 2.02 -1.18 -2.91 112.91 115.56 2juw h THR 42 Ca 0.36 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 2juw h THR 42 Cb 0.19 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2juw h THR 42 CO -0.18 0.40 -0.30 -0.74 0.37 0.00 0.00 175.52 175.07 2juw h HIS 43 N 0.96 0.00 -0.17 3.16 6.17 0.06 -2.47 115.15 122.87 2juw h HIS 43 Ca 0.18 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.18 2juw h HIS 43 Cb 0.52 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.43 2juw h HIS 43 CO 0.04 0.30 -0.25 -0.07 0.71 0.00 0.00 177.93 178.66 2juw h LEU 44 N 0.00 0.30 -1.25 0.26 3.38 -0.68 -1.72 115.31 115.59 2juw h LEU 44 Ca -0.00 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2juw h LEU 44 Cb 0.97 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2juw h LEU 44 CO 0.04 0.55 -0.35 -0.07 0.09 0.00 0.00 178.44 178.70 2juw h LEU 45 N 0.27 0.00 0.00 1.67 3.38 -1.38 -1.98 115.31 117.27 2juw h LEU 45 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2juw h LEU 45 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2juw h LEU 45 CO 0.04 0.35 0.00 -0.62 0.09 0.00 0.00 178.44 178.30 2juw n GLU 46 N -3.88 0.37 -0.02 1.13 1.02 -0.67 -2.84 120.64 115.76 2juw n GLU 46 Ca -0.01 0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.15 2juw n GLU 46 Cb 0.42 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.34 2juw n GLU 46 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2juw h ARG 47 N 0.00 0.00 0.00 3.49 2.43 -1.13 -3.44 114.38 115.73 2juw h ARG 47 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2juw h ARG 47 Cb 0.25 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.69 2juw h ARG 47 CO 0.00 0.00 -0.56 1.63 -1.51 0.00 0.00 179.97 179.53 2juw n LYS 48 N -2.82 0.68 -4.67 0.20 4.76 -1.24 -5.04 118.16 110.03 2juw n LYS 48 Ca -0.01 -2.23 -0.33 0.00 -2.87 0.00 0.00 58.31 52.87 2juw n LYS 48 Cb 0.05 -0.85 -0.15 0.00 -1.84 0.00 0.00 35.03 32.24 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2juw s VAL 49 N -1.44 2.91 0.60 -0.18 1.01 -1.13 -5.10 120.40 117.07 2juw s VAL 49 Ca 0.27 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 2juw s VAL 49 Cb 0.27 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2juw s VAL 49 CO -0.06 0.52 1.13 -0.81 0.00 0.00 0.00 175.10 175.88 2juw n PRO 50 N 3.76 1.11 -0.14 2.72 -0.04 -1.26 -4.72 135.00 136.43 2juw n PRO 50 Ca -0.18 0.43 -0.03 0.00 -0.04 0.00 0.00 63.50 63.67 2juw n PRO 50 Cb 0.52 -2.34 0.05 0.00 -0.04 0.00 0.00 33.50 31.69 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 0.69 -0.06 0.23 3.54 0.02 -1.99 0.61 113.55 116.59 2juw h SER 51 Ca -0.49 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.39 2juw h SER 51 Cb 1.35 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 2juw h SER 51 CO 0.53 0.00 -0.61 1.05 -1.14 0.00 0.00 176.83 176.66 2juw h GLU 52 N 0.19 0.38 0.00 3.45 9.09 -2.01 -2.91 114.58 122.77 2juw h GLU 52 Ca 0.23 -0.27 -0.11 0.00 0.05 0.00 0.00 59.36 59.26 2juw h GLU 52 Cb 0.31 0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.44 2juw h GLU 52 CO -0.32 0.88 -0.54 1.03 0.05 0.00 0.00 179.01 180.11 2juw h SER 53 N 0.28 0.00 -0.79 3.06 0.87 -1.67 -2.94 113.55 112.37 2juw h SER 53 Ca -0.01 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.67 2juw h SER 53 Cb 1.15 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.02 2juw h SER 53 CO 0.10 0.54 0.40 0.03 -0.53 0.00 0.00 176.83 177.37 2juw h ARG 54 N 0.00 0.60 -0.13 2.24 3.08 -0.71 0.63 114.38 120.10 2juw h ARG 54 Ca -0.01 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 2juw h ARG 54 Cb 1.05 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2juw h ARG 54 CO 0.07 0.40 -0.50 1.96 -1.07 0.00 0.00 179.97 180.83 2juw h GLN 55 N 0.62 0.34 0.08 0.04 4.20 -1.59 -1.25 115.11 117.55 2juw h GLN 55 Ca 0.41 -0.20 -0.25 0.00 0.06 0.00 0.00 58.65 58.68 2juw h GLN 55 Cb 0.51 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 2juw h GLN 55 CO -0.32 0.76 -1.12 0.00 -0.67 0.00 0.00 178.83 177.48 2juw h ALA 56 N 1.20 0.22 -0.47 3.87 0.00 -1.11 -1.95 119.26 121.02 2juw h ALA 56 Ca 0.01 -0.85 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 2juw h ALA 56 Cb 0.98 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2juw h ALA 56 CO 0.08 1.00 -0.09 0.28 0.00 0.00 0.00 179.25 180.52 2juw h VAL 57 N 0.08 1.26 -0.76 0.00 2.07 0.28 0.15 116.25 119.33 2juw h VAL 57 Ca -0.10 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 2juw h VAL 57 Cb 1.84 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 2juw h VAL 57 CO 0.18 0.41 0.47 0.00 0.02 0.00 0.00 177.57 178.65 2juw h ALA 58 N 1.12 1.40 0.33 1.67 0.00 -1.17 0.38 119.26 122.99 2juw h ALA 58 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2juw h ALA 58 Cb 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2juw h ALA 58 CO 0.04 0.53 -0.16 1.49 0.00 0.00 0.00 179.25 181.15 2juw h GLU 59 N 1.04 -0.43 -0.80 0.00 4.81 -0.63 -1.35 114.58 117.23 2juw h GLU 59 Ca 0.28 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.60 2juw h GLU 59 Cb -0.06 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 2juw h GLU 59 CO -0.05 -0.20 0.48 1.96 -0.73 0.00 0.00 179.01 180.47 2juw h GLN 60 N -0.58 0.84 -0.97 1.92 1.08 -0.29 -0.40 115.11 116.71 2juw h GLN 60 Ca -0.05 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 2juw h GLN 60 Cb 0.42 -0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 27.61 2juw h GLN 60 CO 0.07 0.55 0.64 0.35 -0.95 0.00 0.00 178.83 179.50 2juw h PHE 61 N 0.86 1.20 0.01 2.96 3.57 -0.17 -0.69 116.94 124.68 2juw h PHE 61 Ca 0.36 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.89 2juw h PHE 61 Cb 0.21 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2juw h PHE 61 CO -0.05 0.72 -0.00 0.00 -2.23 0.00 0.00 178.31 176.74 2juw h ALA 62 N 1.42 -0.01 -0.47 2.41 0.00 0.10 0.37 119.26 123.07 2juw h ALA 62 Ca 0.38 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2juw h ALA 62 Cb -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2juw h ALA 62 CO -0.11 -0.50 0.16 0.87 0.00 0.00 0.00 179.25 179.68 2juw h LYS 63 N -0.03 0.73 -0.40 0.00 6.56 -1.09 -0.76 116.57 121.59 2juw h LYS 63 Ca -0.00 -0.15 -0.03 0.00 -1.06 0.00 0.00 60.65 59.41 2juw h LYS 63 Cb 0.03 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.56 2juw h LYS 63 CO 0.00 0.68 0.14 0.00 -2.06 0.00 0.00 179.45 178.21 2juw h ALA 64 N 1.01 0.52 0.04 3.86 0.00 -0.95 -0.56 119.26 123.17 2juw h ALA 64 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2juw h ALA 64 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2juw h ALA 64 CO -0.01 0.15 -0.02 1.25 0.00 0.00 0.00 179.25 180.62 2juw h LEU 65 N 0.49 -0.04 -0.37 0.00 5.85 -0.14 0.39 115.31 121.49 2juw h LEU 65 Ca 0.13 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2juw h LEU 65 Cb 0.23 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2juw h LEU 65 CO -0.01 0.06 0.19 0.00 -0.34 0.00 0.00 178.44 178.34 2juw h ALA 66 N 0.82 0.48 -0.60 1.25 0.00 -1.07 -1.57 119.26 118.57 2juw h ALA 66 Ca -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2juw h ALA 66 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2juw h ALA 66 CO 0.01 0.02 0.08 1.96 0.00 0.00 0.00 179.25 181.32 2juw h GLN 67 N 0.47 0.98 -0.53 0.00 1.08 -1.02 0.90 115.11 117.00 2juw h GLN 67 Ca 0.13 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 2juw h GLN 67 Cb 0.09 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 2juw h GLN 67 CO -0.02 0.92 0.25 1.03 -0.95 0.00 0.00 178.83 180.07 2juw h SER 68 N 0.92 0.70 -0.09 1.46 0.87 -0.62 0.18 113.55 116.97 2juw h SER 68 Ca 0.18 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2juw h SER 68 Cb 0.43 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2juw h SER 68 CO 0.01 0.63 -0.02 0.58 -0.53 0.00 0.00 176.83 177.51 2juw h VAL 69 N 0.71 1.29 0.00 2.23 2.07 -1.07 -3.16 116.25 118.33 2juw h VAL 69 Ca 0.18 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 2juw h VAL 69 Cb 0.12 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2juw h VAL 69 CO -0.02 0.26 -0.27 0.50 0.02 0.00 0.00 177.57 178.06 2juw h LYS 70 N -0.16 0.00 0.00 1.57 3.64 -0.65 -2.07 116.57 118.90 2juw h LYS 70 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2juw h LYS 70 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2juw h LYS 70 CO 0.01 0.27 0.00 0.45 -2.27 0.00 0.00 179.45 177.91 2juw n SER 71 N -3.97 0.00 0.13 4.20 2.88 0.61 -0.93 113.62 116.53 2juw n SER 71 Ca -0.02 0.29 -0.01 0.00 -1.33 0.00 0.00 58.87 57.80 2juw n SER 71 Cb 0.34 -0.38 0.21 0.00 -0.75 0.00 0.00 64.21 63.63 2juw n SER 71 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2juw h ASN 72 N 0.00 0.10 0.51 -3.46 -0.26 -1.47 -3.04 115.58 107.96 2juw h ASN 72 Ca 0.00 -0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.65 2juw h ASN 72 Cb 0.15 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 2juw h ASN 72 CO 0.00 0.61 -1.53 0.18 -1.06 0.00 0.00 177.43 175.64 2juw n LEU 73 N -3.92 0.47 -1.90 1.61 4.77 -0.11 -4.03 117.00 113.89 2juw n LEU 73 Ca -0.02 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 55.98 2juw n LEU 73 Cb 0.55 0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 2juw n LEU 73 CO 0.42 -0.03 1.22 -0.62 -1.33 0.00 0.00 177.39 177.04 2juw n GLU 74 N -2.54 1.83 0.03 3.23 -0.58 -0.76 -4.65 120.64 117.20 2juw n GLU 74 Ca -0.05 -1.63 -0.13 0.00 -0.42 0.00 0.00 57.16 54.93 2juw n GLU 74 Cb 0.63 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.77 2juw n GLU 74 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2juw h HIS 75 N 1.46 -0.08 -3.60 -0.32 2.76 -1.68 -3.41 115.15 110.27 2juw h HIS 75 Ca 0.30 -0.00 -0.69 0.00 -2.20 0.00 0.00 60.37 57.79 2juw h HIS 75 Cb 0.95 0.03 -0.35 0.00 1.55 0.00 0.00 27.41 29.59 2juw h HIS 75 CO 0.83 0.29 -0.62 -1.58 -1.30 0.00 0.00 177.93 175.55 2juw s HIS 76 N -4.65 3.51 -0.41 5.26 5.65 -1.26 -4.87 115.29 118.52 2juw s HIS 76 Ca -0.15 -2.32 -0.17 0.00 0.25 0.00 0.00 55.06 52.67 2juw s HIS 76 Cb 0.02 -2.83 0.02 0.00 -1.18 0.00 0.00 32.58 28.62 2juw s HIS 76 CO 0.64 -0.92 0.53 1.58 -0.65 0.00 0.00 174.74 175.93 2juw n HIS 77 N 4.56 -3.39 -2.34 3.88 -0.00 -1.26 -5.05 115.22 111.61 2juw n HIS 77 Ca -0.05 1.39 0.00 0.00 -0.00 0.00 0.00 57.72 59.06 2juw n HIS 77 Cb 0.42 -3.74 0.00 0.00 -0.00 0.00 0.00 29.99 26.67 2juw n HIS 77 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2juw n HIS 78 N -0.14 0.00 -4.00 1.57 -0.00 -1.26 -5.12 115.22 106.27 2juw n HIS 78 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.67 2juw n HIS 78 Cb 0.44 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.30 2juw n HIS 78 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2juw s HIS 79 N 0.47 0.29 -2.51 4.41 -3.43 -1.26 -5.14 115.29 108.12 2juw s HIS 79 Ca 0.00 -0.22 0.20 0.00 -0.80 0.00 0.00 55.06 54.24 2juw s HIS 79 Cb 0.00 -0.19 0.16 0.00 -1.43 0.00 0.00 32.58 31.12 2juw s HIS 79 CO 0.00 -0.06 1.14 0.72 -2.00 0.00 0.00 174.74 174.54