#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juw s ALA 2 N 0.00 3.02 0.05 -5.12 0.00 -1.26 -5.02 121.76 113.43 2juw s ALA 2 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 2juw s ALA 2 Cb 0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 23.12 21.68 2juw s ALA 2 CO 0.00 0.53 1.36 0.82 0.00 0.00 0.00 175.76 178.47 2juw h ILE 3 N 4.36 1.34 -3.46 0.00 2.04 -2.08 -3.40 117.51 116.31 2juw h ILE 3 Ca -0.47 -1.31 -0.62 0.00 1.00 0.00 0.00 64.86 63.46 2juw h ILE 3 Cb 1.18 1.83 -0.13 0.00 -0.74 0.00 0.00 36.82 38.96 2juw h ILE 3 CO 0.54 0.39 0.42 -1.58 0.00 0.00 0.00 178.15 177.92 2juw s GLN 4 N -4.33 3.37 0.78 2.37 0.74 -1.26 -5.04 119.66 116.28 2juw s GLN 4 Ca -0.14 -0.20 -0.13 0.00 0.05 0.00 0.00 55.36 54.94 2juw s GLN 4 Cb 0.06 -3.99 0.19 0.00 1.10 0.00 0.00 33.01 30.36 2juw s GLN 4 CO 0.76 -1.26 0.82 0.43 -0.55 0.00 0.00 175.29 175.50 2juw n SER 5 N 6.96 -1.01 0.30 6.67 7.64 -1.26 -4.98 113.62 127.94 2juw n SER 5 Ca 0.02 -1.11 -0.17 0.00 1.01 0.00 0.00 58.87 58.61 2juw n SER 5 Cb 0.48 -0.70 -0.08 0.00 -1.01 0.00 0.00 64.21 62.89 2juw n SER 5 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2juw h LYS 6 N 0.00 -0.85 -3.38 1.43 1.57 -1.98 -3.47 116.57 109.90 2juw h LYS 6 Ca -0.29 0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2juw h LYS 6 Cb 0.85 0.19 -0.10 0.00 0.08 0.00 0.00 32.23 33.25 2juw h LYS 6 CO 0.20 -0.56 -0.01 1.52 -0.57 0.00 0.00 179.45 180.02 2juw s TYR 7 N -5.99 -0.03 0.07 -1.35 -0.85 -1.26 -5.15 117.35 102.80 2juw s TYR 7 Ca -0.17 -0.32 -0.27 0.00 -0.52 0.00 0.00 57.07 55.78 2juw s TYR 7 Cb 0.05 0.34 -0.06 0.00 0.38 0.00 0.00 41.96 42.67 2juw s TYR 7 CO 0.62 -0.91 0.85 0.45 -1.52 0.00 0.00 175.55 175.04 2juw s SER 8 N -2.90 7.34 0.52 -0.18 0.15 -1.26 -4.93 113.70 112.43 2juw s SER 8 Ca 0.11 1.60 0.28 0.00 0.70 0.00 0.00 55.95 58.64 2juw s SER 8 Cb -0.01 -2.52 1.39 0.00 -1.71 0.00 0.00 66.02 63.18 2juw s SER 8 CO -0.01 -0.02 2.03 -0.55 1.20 0.00 0.00 173.24 175.89 2juw h ASN 9 N 5.61 0.00 0.40 5.45 7.08 -2.01 -0.38 115.58 131.73 2juw h ASN 9 Ca -0.43 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 52.55 2juw h ASN 9 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 2juw h ASN 9 CO 0.71 0.12 -0.99 0.74 -2.08 0.00 0.00 177.43 175.94 2juw h THR 10 N 0.00 1.42 -0.40 6.14 2.02 -1.99 -2.63 112.91 117.47 2juw h THR 10 Ca -0.00 -2.56 -0.01 0.00 0.77 0.00 0.00 66.41 64.61 2juw h THR 10 Cb 0.42 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 2juw h THR 10 CO 0.02 0.76 0.21 -0.61 0.37 0.00 0.00 175.52 176.27 2juw h GLN 11 N 0.19 0.56 -0.43 6.66 4.15 -1.57 0.17 115.11 124.84 2juw h GLN 11 Ca -0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.27 2juw h GLN 11 Cb 1.64 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 29.20 2juw h GLN 11 CO 0.17 0.46 0.28 0.28 -1.93 0.00 0.00 178.83 178.08 2juw h VAL 12 N 0.51 1.12 -0.25 2.39 2.07 -1.17 0.18 116.25 121.10 2juw h VAL 12 Ca 0.14 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2juw h VAL 12 Cb 0.06 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2juw h VAL 12 CO -0.02 0.12 0.14 -0.08 0.02 0.00 0.00 177.57 177.75 2juw h GLU 13 N 0.58 0.29 -0.75 1.57 4.81 -1.17 -0.06 114.58 119.84 2juw h GLU 13 Ca 0.16 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2juw h GLU 13 Cb -0.05 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 2juw h GLU 13 CO -0.03 0.19 0.40 1.03 -0.73 0.00 0.00 179.01 179.87 2juw h SER 14 N 0.30 0.94 0.11 1.04 0.87 -0.33 -0.24 113.55 116.24 2juw h SER 14 Ca 0.10 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2juw h SER 14 Cb -0.00 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2juw h SER 14 CO -0.05 0.76 -0.05 0.25 -0.53 0.00 0.00 176.83 177.21 2juw h LEU 15 N 1.05 -0.13 -0.94 2.23 5.85 -0.15 -2.16 115.31 121.05 2juw h LEU 15 Ca 0.26 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2juw h LEU 15 Cb 0.04 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2juw h LEU 15 CO -0.04 0.06 0.62 0.40 -0.34 0.00 0.00 178.44 179.14 2juw h ILE 16 N -0.31 1.19 -0.49 4.05 2.04 -0.72 -1.84 117.51 121.44 2juw h ILE 16 Ca -0.02 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.47 2juw h ILE 16 Cb 0.26 -0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.15 2juw h ILE 16 CO 0.03 0.22 0.22 0.00 0.00 0.00 0.00 178.15 178.62 2juw h ALA 17 N 1.37 0.61 -0.78 1.87 0.00 -0.90 0.14 119.26 121.57 2juw h ALA 17 Ca 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 2juw h ALA 17 Cb -0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2juw h ALA 17 CO -0.10 -0.15 0.44 0.93 0.00 0.00 0.00 179.25 180.37 2juw h GLU 18 N 0.43 1.07 -0.48 0.00 4.39 -0.73 -1.08 114.58 118.18 2juw h GLU 18 Ca 0.22 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2juw h GLU 18 Cb 0.17 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2juw h GLU 18 CO -0.18 0.78 0.25 0.82 -1.16 0.00 0.00 179.01 179.52 2juw h ILE 19 N 1.07 1.18 -0.84 3.13 2.04 -0.61 -1.84 117.51 121.65 2juw h ILE 19 Ca 0.28 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2juw h ILE 19 Cb 0.01 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2juw h ILE 19 CO -0.05 0.19 0.46 -0.07 0.00 0.00 0.00 178.15 178.69 2juw h LEU 20 N 0.63 1.04 -1.18 1.44 3.38 -0.60 -2.41 115.31 117.61 2juw h LEU 20 Ca 0.17 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2juw h LEU 20 Cb 0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2juw h LEU 20 CO -0.02 0.84 -0.13 0.58 0.09 0.00 0.00 178.44 179.80 2juw h VAL 21 N 1.16 1.22 -0.41 1.22 2.07 -0.81 0.10 116.25 120.80 2juw h VAL 21 Ca 0.29 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2juw h VAL 21 Cb 0.02 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2juw h VAL 21 CO -0.05 0.31 0.11 0.58 0.02 0.00 0.00 177.57 178.54 2juw h VAL 22 N 0.39 1.23 -0.33 2.57 2.07 -0.87 0.21 116.25 121.52 2juw h VAL 22 Ca 0.07 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 2juw h VAL 22 Cb 0.46 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2juw h VAL 22 CO 0.03 0.27 0.06 -0.07 0.02 0.00 0.00 177.57 177.87 2juw h LEU 23 N 0.53 0.45 -0.53 2.57 3.38 -1.06 -2.17 115.31 118.48 2juw h LEU 23 Ca 0.13 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2juw h LEU 23 Cb 0.30 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2juw h LEU 23 CO -0.00 0.48 0.31 -0.08 0.09 0.00 0.00 178.44 179.24 2juw h GLU 24 N 0.48 0.72 0.00 1.13 4.57 0.06 0.13 114.58 121.68 2juw h GLU 24 Ca 0.11 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2juw h GLU 24 Cb 0.23 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2juw h GLU 24 CO 0.00 0.54 -0.03 0.87 -1.18 0.00 0.00 179.01 179.20 2juw h LYS 25 N 0.71 0.00 0.02 1.92 1.57 -0.13 -1.33 116.57 119.32 2juw h LYS 25 Ca 0.19 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.71 2juw h LYS 25 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2juw h LYS 25 CO -0.03 0.03 -1.37 0.45 -0.57 0.00 0.00 179.45 177.96 2juw h HIS 26 N 0.00 0.07 -6.01 -1.35 3.86 -0.63 -3.48 115.15 107.60 2juw h HIS 26 Ca -0.00 -0.05 -0.43 0.00 -1.16 0.00 0.00 60.37 58.74 2juw h HIS 26 Cb 0.10 -0.00 0.07 0.00 1.06 0.00 0.00 27.41 28.64 2juw h HIS 26 CO 0.00 1.06 -0.72 1.63 0.86 0.00 0.00 177.93 180.76 2juw n LYS 27 N -3.24 -6.98 -2.66 2.45 5.02 0.35 -4.95 118.16 108.14 2juw n LYS 27 Ca -0.09 0.74 -0.41 0.00 -2.02 0.00 0.00 58.31 56.53 2juw n LYS 27 Cb 1.00 -5.73 -0.05 0.00 -0.02 0.00 0.00 35.03 30.24 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2juw s ALA 28 N -3.32 3.32 1.01 7.82 0.00 -1.23 -5.05 121.76 124.32 2juw s ALA 28 Ca 0.58 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 2juw s ALA 28 Cb -0.27 -3.28 0.20 0.00 0.00 0.00 0.00 23.12 19.77 2juw s ALA 28 CO 0.77 0.00 1.08 -2.14 0.00 0.00 0.00 175.76 175.47 2juw s PRO 29 N -0.64 0.31 0.30 0.00 0.02 -1.26 -4.66 135.00 129.08 2juw s PRO 29 Ca 0.45 0.74 0.05 0.00 0.02 0.00 0.00 61.00 62.26 2juw s PRO 29 Cb -0.26 -1.71 0.73 0.00 0.02 0.00 0.00 34.50 33.28 2juw s PRO 29 CO 0.33 -2.87 1.77 1.15 -0.33 0.00 0.00 177.00 177.05 2juw h THR 30 N -2.00 0.69 0.21 0.99 2.02 -1.98 0.48 112.91 113.32 2juw h THR 30 Ca -0.54 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 2juw h THR 30 Cb 1.31 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2juw h THR 30 CO 0.54 0.13 -0.20 0.44 0.37 0.00 0.00 175.52 176.80 2juw h ASP 31 N 0.74 -0.55 0.12 4.18 5.19 -2.00 -1.26 116.42 122.83 2juw h ASP 31 Ca 0.57 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 57.00 2juw h ASP 31 Cb 0.90 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.58 2juw h ASP 31 CO -0.39 -0.27 -0.12 0.25 -3.12 0.00 0.00 179.24 175.59 2juw h LEU 32 N -0.41 0.01 0.12 1.55 5.85 -1.81 -0.57 115.31 120.05 2juw h LEU 32 Ca -0.03 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2juw h LEU 32 Cb 0.35 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2juw h LEU 32 CO -0.02 0.13 -0.06 -1.28 -0.34 0.00 0.00 178.44 176.88 2juw h SER 33 N 0.01 -0.13 -0.52 1.25 0.87 -0.76 0.10 113.55 114.36 2juw h SER 33 Ca 0.00 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 2juw h SER 33 Cb 0.22 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2juw h SER 33 CO 0.02 0.05 0.08 -0.07 -0.53 0.00 0.00 176.83 176.38 2juw h LEU 34 N -0.31 0.88 -0.77 2.23 3.38 -0.67 -1.29 115.31 118.76 2juw h LEU 34 Ca -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2juw h LEU 34 Cb 0.25 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2juw h LEU 34 CO 0.03 0.89 0.45 0.24 0.09 0.00 0.00 178.44 180.14 2juw h MET 35 N 0.87 1.05 -0.20 1.13 2.86 -0.95 -0.57 114.93 119.12 2juw h MET 35 Ca 0.18 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2juw h MET 35 Cb 0.40 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2juw h MET 35 CO 0.01 0.75 0.05 0.00 1.06 0.00 0.00 176.91 178.78 2juw h ALA 36 N 1.24 0.26 -0.28 6.32 0.00 -0.39 -2.81 119.26 123.61 2juw h ALA 36 Ca 0.27 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2juw h ALA 36 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2juw h ALA 36 CO -0.05 -0.09 0.06 -0.07 0.00 0.00 0.00 179.25 179.10 2juw h LEU 37 N 0.14 0.04 -1.29 0.00 -0.00 -0.91 -1.37 115.31 111.91 2juw h LEU 37 Ca 0.06 0.04 0.04 0.00 -0.00 0.00 0.00 57.88 58.03 2juw h LEU 37 Cb 0.27 0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 40.93 2juw h LEU 37 CO 0.00 0.05 0.50 1.23 -0.00 0.00 0.00 178.44 180.23 2juw h GLY 38 N 0.17 1.06 0.49 0.83 0.00 -1.06 -1.64 103.07 102.93 2juw h GLY 38 Ca 0.13 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 2juw h GLY 38 CO -0.16 0.30 -0.44 3.43 0.00 0.00 0.00 176.54 179.67 2juw h ASN 39 N 0.90 0.31 -0.47 0.19 2.35 -1.19 -2.93 115.58 114.75 2juw h ASN 39 Ca 0.31 -0.88 -0.09 0.00 -0.55 0.00 0.00 56.30 55.09 2juw h ASN 39 Cb 0.10 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2juw h ASN 39 CO -0.10 1.16 -0.04 0.00 -1.65 0.00 0.00 177.43 176.80 2juw h VAL 41 N 0.83 1.16 -0.61 0.00 2.07 -1.42 -2.80 116.25 115.49 2juw h VAL 41 Ca 0.15 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 2juw h VAL 41 Cb 0.55 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2juw h VAL 41 CO 0.03 0.15 0.21 0.74 0.02 0.00 0.00 177.57 178.72 2juw h THR 42 N 0.07 1.23 0.00 2.57 2.02 -1.31 -1.65 112.91 115.83 2juw h THR 42 Ca 0.05 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 2juw h THR 42 Cb 0.19 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2juw h THR 42 CO -0.00 0.29 -0.06 -0.74 0.37 0.00 0.00 175.52 175.38 2juw h HIS 43 N 0.89 0.00 0.77 3.16 6.17 -1.02 -0.83 115.15 124.28 2juw h HIS 43 Ca 0.20 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.25 2juw h HIS 43 Cb 0.22 0.00 0.01 0.00 2.52 0.00 0.00 27.41 30.16 2juw h HIS 43 CO 0.02 0.06 -0.37 -0.07 0.71 0.00 0.00 177.93 178.28 2juw h LEU 44 N 0.00 -0.87 0.00 0.26 3.38 -1.03 -1.30 115.31 115.75 2juw h LEU 44 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2juw h LEU 44 Cb 0.13 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2juw h LEU 44 CO 0.01 -0.52 0.00 0.00 0.09 0.00 0.00 178.44 178.02 2juw n LEU 45 N -5.47 0.00 0.12 1.67 -0.00 -1.15 -1.84 117.00 110.33 2juw n LEU 45 Ca -0.13 0.37 -0.21 0.00 -0.00 0.00 0.00 56.01 56.04 2juw n LEU 45 Cb 0.41 -0.37 -0.14 0.00 -0.00 0.00 0.00 43.42 43.32 2juw n LEU 45 CO 0.33 -0.03 -0.12 -0.08 -0.00 0.00 0.00 177.39 177.49 2juw h GLU 46 N 0.00 0.50 0.00 1.47 4.22 -1.01 -2.94 114.58 116.83 2juw h GLU 46 Ca 0.00 -0.77 0.00 0.00 0.08 0.00 0.00 59.36 58.67 2juw h GLU 46 Cb 0.34 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2juw h GLU 46 CO 0.00 1.36 -1.76 -2.13 -2.18 0.00 0.00 179.01 174.30 2juw n ARG 47 N -3.70 0.64 0.00 1.92 3.00 -0.50 -4.38 116.66 113.63 2juw n ARG 47 Ca -0.13 -0.12 0.02 0.00 -0.00 0.00 0.00 57.85 57.61 2juw n ARG 47 Cb 1.04 -1.59 -0.01 0.00 0.00 0.00 0.00 32.46 31.89 2juw n ARG 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2juw n LYS 48 N -2.34 3.95 -4.88 -0.14 4.76 -0.76 -4.98 118.16 113.75 2juw n LYS 48 Ca -0.03 -0.22 -0.29 0.00 -2.87 0.00 0.00 58.31 54.90 2juw n LYS 48 Cb 0.56 -0.82 -0.17 0.00 -1.84 0.00 0.00 35.03 32.77 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 -1.15 1.70 0.63 -0.18 1.01 -1.11 -5.03 120.40 116.28 2juw s VAL 49 Ca 0.03 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 2juw s VAL 49 Cb 0.04 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2juw s VAL 49 CO 0.15 0.48 0.93 -2.65 0.00 0.00 0.00 175.10 174.01 2juw n PRO 50 N 3.74 0.78 -0.36 2.72 -0.02 -1.26 -4.55 135.00 136.05 2juw n PRO 50 Ca -0.20 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.64 2juw n PRO 50 Cb 0.52 -2.15 0.22 0.00 -0.02 0.00 0.00 33.50 32.07 2juw n PRO 50 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2juw h SER 51 N 0.30 0.97 -0.65 2.55 0.02 -1.92 0.55 113.55 115.37 2juw h SER 51 Ca -0.48 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2juw h SER 51 Cb 1.36 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 2juw h SER 51 CO 0.50 0.57 0.42 -0.33 -1.14 0.00 0.00 176.83 176.84 2juw h GLU 52 N 1.07 0.86 0.00 3.45 3.07 -2.01 -2.17 114.58 118.85 2juw h GLU 52 Ca 0.46 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 2juw h GLU 52 Cb 0.34 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2juw h GLU 52 CO -0.22 0.57 -1.35 0.43 -1.40 0.00 0.00 179.01 177.05 2juw n SER 53 N -4.43 0.52 -0.36 1.42 7.64 -0.48 -4.21 113.62 113.70 2juw n SER 53 Ca 0.07 -0.32 0.02 0.00 1.01 0.00 0.00 58.87 59.65 2juw n SER 53 Cb 0.04 1.24 0.18 0.00 -1.01 0.00 0.00 64.21 64.66 2juw n SER 53 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2juw h ARG 54 N 0.00 1.15 -0.57 1.43 2.43 0.71 0.11 114.38 119.64 2juw h ARG 54 Ca 0.00 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 2juw h ARG 54 Cb 0.77 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2juw h ARG 54 CO 0.00 0.76 0.06 1.96 -1.51 0.00 0.00 179.97 181.24 2juw h GLN 55 N 1.18 0.95 -0.12 0.20 4.20 -1.70 -2.76 115.11 117.06 2juw h GLN 55 Ca 0.42 -0.25 -0.21 0.00 0.06 0.00 0.00 58.65 58.67 2juw h GLN 55 Cb 0.14 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.81 2juw h GLN 55 CO -0.16 0.90 -0.78 0.00 -0.67 0.00 0.00 178.83 178.12 2juw h ALA 56 N 1.17 0.40 -0.51 3.87 0.00 -1.30 -2.52 119.26 120.37 2juw h ALA 56 Ca 0.17 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2juw h ALA 56 Cb 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2juw h ALA 56 CO 0.02 0.71 0.19 0.28 0.00 0.00 0.00 179.25 180.45 2juw h VAL 57 N 0.44 1.22 -0.69 0.00 2.07 -0.82 -1.16 116.25 117.31 2juw h VAL 57 Ca -0.05 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2juw h VAL 57 Cb 1.40 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2juw h VAL 57 CO 0.15 0.26 0.46 0.00 0.02 0.00 0.00 177.57 178.46 2juw h ALA 58 N 1.04 0.88 -0.00 1.67 0.00 -1.45 0.83 119.26 122.22 2juw h ALA 58 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2juw h ALA 58 Cb 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2juw h ALA 58 CO -0.01 0.30 0.00 1.49 0.00 0.00 0.00 179.25 181.03 2juw h GLU 59 N 0.93 0.01 -0.34 0.00 4.57 -1.17 0.64 114.58 119.23 2juw h GLU 59 Ca 0.25 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.36 2juw h GLU 59 Cb -0.10 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2juw h GLU 59 CO -0.06 0.10 -0.10 1.96 -1.18 0.00 0.00 179.01 179.73 2juw h GLN 60 N -0.09 0.58 -0.27 1.92 4.20 -0.98 -1.51 115.11 118.96 2juw h GLN 60 Ca 0.00 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 2juw h GLN 60 Cb 0.09 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2juw h GLN 60 CO -0.00 0.67 -0.15 0.35 -0.67 0.00 0.00 178.83 179.03 2juw h PHE 61 N 0.54 0.68 -0.57 2.96 3.57 -0.67 -2.16 116.94 121.28 2juw h PHE 61 Ca 0.10 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.45 2juw h PHE 61 Cb 0.49 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2juw h PHE 61 CO 0.02 0.84 0.36 0.00 -2.23 0.00 0.00 178.31 177.30 2juw h ALA 62 N 0.73 0.74 -0.31 2.41 0.00 -0.50 1.00 119.26 123.32 2juw h ALA 62 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2juw h ALA 62 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2juw h ALA 62 CO 0.04 0.10 0.15 0.87 0.00 0.00 0.00 179.25 180.41 2juw h LYS 63 N 0.71 0.44 -0.37 0.00 6.56 -1.27 0.15 116.57 122.79 2juw h LYS 63 Ca 0.23 -0.06 0.01 0.00 -1.06 0.00 0.00 60.65 59.76 2juw h LYS 63 Cb -0.00 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.55 2juw h LYS 63 CO -0.09 0.41 0.22 0.00 -2.06 0.00 0.00 179.45 177.94 2juw h ALA 64 N 1.00 0.46 0.08 3.86 0.00 -0.93 0.13 119.26 123.86 2juw h ALA 64 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2juw h ALA 64 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2juw h ALA 64 CO -0.01 -0.11 -0.04 1.25 0.00 0.00 0.00 179.25 180.34 2juw h LEU 65 N 0.46 -0.09 -0.08 0.00 5.85 -0.62 -1.17 115.31 119.66 2juw h LEU 65 Ca 0.14 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2juw h LEU 65 Cb -0.01 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2juw h LEU 65 CO -0.06 -0.01 -0.05 0.00 -0.34 0.00 0.00 178.44 177.98 2juw h ALA 66 N 0.77 0.02 -0.23 1.25 0.00 -0.42 -1.47 119.26 119.18 2juw h ALA 66 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2juw h ALA 66 Cb 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2juw h ALA 66 CO 0.02 -0.52 0.02 1.96 0.00 0.00 0.00 179.25 180.73 2juw h GLN 67 N -0.05 0.33 -0.46 0.00 7.50 -0.70 0.31 115.11 122.05 2juw h GLN 67 Ca 0.05 -0.05 -0.09 0.00 0.50 0.00 0.00 58.65 59.05 2juw h GLN 67 Cb 0.12 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.57 2juw h GLN 67 CO -0.11 0.34 -0.09 0.77 -1.50 0.00 0.00 178.83 178.24 2juw h SER 68 N 0.33 0.82 -0.26 1.46 0.02 -0.55 0.13 113.55 115.50 2juw h SER 68 Ca 0.08 -0.24 -0.18 0.00 -0.84 0.00 0.00 61.79 60.60 2juw h SER 68 Cb 0.19 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2juw h SER 68 CO 0.00 0.94 -0.56 0.58 -1.14 0.00 0.00 176.83 176.66 2juw h VAL 69 N 0.76 1.28 0.00 2.27 2.07 -0.26 -3.01 116.25 119.36 2juw h VAL 69 Ca 0.13 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 2juw h VAL 69 Cb 0.59 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2juw h VAL 69 CO 0.04 0.56 -0.10 0.11 0.02 0.00 0.00 177.57 178.20 2juw h LYS 70 N 0.59 0.00 0.00 1.57 1.57 -0.08 -0.37 116.57 119.85 2juw h LYS 70 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2juw h LYS 70 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2juw h LYS 70 CO 0.12 0.10 -0.12 0.77 -0.57 0.00 0.00 179.45 179.76 2juw h SER 71 N 0.00 0.00 0.38 0.86 0.02 -0.60 0.59 113.55 114.80 2juw h SER 71 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2juw h SER 71 Cb 0.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2juw h SER 71 CO 0.01 0.12 -0.65 -1.13 -1.14 0.00 0.00 176.83 174.04 2juw h ASN 72 N 0.00 0.29 0.01 3.07 -0.73 -1.10 -3.32 115.58 113.80 2juw h ASN 72 Ca -0.00 -0.18 -0.16 0.00 1.87 0.00 0.00 56.30 57.83 2juw h ASN 72 Cb 0.33 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.82 2juw h ASN 72 CO 0.02 0.86 -0.89 -0.07 -0.37 0.00 0.00 177.43 176.98 2juw h LEU 73 N 0.18 0.04 -8.00 0.34 -0.00 -1.29 -3.45 115.31 103.14 2juw h LEU 73 Ca -0.01 -0.70 -0.67 0.00 -0.00 0.00 0.00 57.88 56.49 2juw h LEU 73 Cb 1.18 -0.01 -0.35 0.00 -0.00 0.00 0.00 40.66 41.48 2juw h LEU 73 CO 0.10 1.35 -0.77 -0.70 -0.00 0.00 0.00 178.44 178.43 2juw s GLU 74 N -2.33 2.50 0.00 1.13 2.56 0.20 -4.91 118.70 117.84 2juw s GLU 74 Ca -0.25 -1.19 0.09 0.00 0.00 0.00 0.00 54.97 53.62 2juw s GLU 74 Cb 0.03 -2.95 0.15 0.00 2.00 0.00 0.00 34.13 33.36 2juw s GLU 74 CO 0.64 -0.51 1.04 -2.39 -0.56 0.00 0.00 175.26 173.49 2juw n HIS 75 N 4.55 0.00 -1.63 5.30 1.44 -1.25 -4.05 115.22 119.59 2juw n HIS 75 Ca -0.15 -0.47 -0.50 0.00 -2.01 0.00 0.00 57.72 54.59 2juw n HIS 75 Cb 0.44 0.25 -0.05 0.00 0.12 0.00 0.00 29.99 30.75 2juw n HIS 75 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2juw n HIS 76 N 0.18 2.10 -3.79 -1.40 1.44 -1.26 -4.91 115.22 107.58 2juw n HIS 76 Ca -0.15 0.11 -0.28 0.00 -2.01 0.00 0.00 57.72 55.39 2juw n HIS 76 Cb 0.85 -2.62 -0.12 0.00 0.12 0.00 0.00 29.99 28.23 2juw n HIS 76 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2juw s HIS 77 N 5.14 2.96 -0.47 -1.40 2.46 -1.26 -4.87 115.29 117.85 2juw s HIS 77 Ca 0.98 -3.08 0.23 0.00 0.47 0.00 0.00 55.06 53.66 2juw s HIS 77 Cb -0.74 -2.32 0.10 0.00 -0.13 0.00 0.00 32.58 29.49 2juw s HIS 77 CO 0.52 -0.63 1.09 -2.39 -2.47 0.00 0.00 174.74 170.86 2juw n HIS 78 N 2.32 0.57 -2.62 3.88 1.44 -1.26 -4.65 115.22 114.90 2juw n HIS 78 Ca 0.20 0.16 -0.41 0.00 -2.01 0.00 0.00 57.72 55.66 2juw n HIS 78 Cb 0.37 -0.67 -0.03 0.00 0.12 0.00 0.00 29.99 29.78 2juw n HIS 78 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2juw s HIS 79 N -3.26 2.47 -2.00 -1.40 5.04 -1.26 -5.37 115.29 109.51 2juw s HIS 79 Ca 0.02 -0.47 0.32 0.00 -1.54 0.00 0.00 55.06 53.39 2juw s HIS 79 Cb 0.12 -4.58 1.89 0.00 0.04 0.00 0.00 32.58 30.05 2juw s HIS 79 CO 0.78 -1.94 2.21 1.58 -2.34 0.00 0.00 174.74 175.03