#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 0.71 -2.77 3.04 0.00 -1.26 -5.10 120.51 115.13 2juw n ALA 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2juw n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2juw n ALA 2 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2juw n ILE 3 N -0.97-10.43 -3.61 0.00 2.08 -1.26 -4.96 119.36 100.22 2juw n ILE 3 Ca 0.00 1.83 -0.40 0.00 0.56 0.00 0.00 62.75 64.74 2juw n ILE 3 Cb 0.00 -6.10 -0.11 0.00 -0.75 0.00 0.00 39.64 32.68 2juw n ILE 3 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2juw s GLN 4 N -1.22 2.99 -0.95 0.38 -0.21 -1.26 -4.66 119.66 114.74 2juw s GLN 4 Ca -0.08 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.34 2juw s GLN 4 Cb 0.01 -3.70 0.00 0.00 1.00 0.00 0.00 33.01 30.32 2juw s GLN 4 CO 0.65 -0.62 0.00 -1.13 -2.12 0.00 0.00 175.29 172.07 2juw n SER 5 N 5.00 -2.76 0.00 5.90 3.41 -1.26 -3.54 113.62 120.37 2juw n SER 5 Ca -0.12 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2juw n SER 5 Cb 0.47 -2.59 0.00 0.00 -0.26 0.00 0.00 64.21 61.83 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 -2.01 0.00 -3.73 4.33 4.81 -1.26 -4.82 118.16 115.49 2juw n LYS 6 Ca -0.10 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.07 2juw n LYS 6 Cb 0.41 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.43 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 0.00 3.48 0.43 5.64 2.02 -1.23 -5.07 117.35 122.61 2juw s TYR 7 Ca 0.00 0.29 -0.24 0.00 -0.37 0.00 0.00 57.07 56.74 2juw s TYR 7 Cb 0.00 -1.81 -0.08 0.00 -0.40 0.00 0.00 41.96 39.67 2juw s TYR 7 CO 0.00 0.38 1.19 -1.54 -1.57 0.00 0.00 175.55 174.01 2juw s SER 8 N -3.28 6.33 0.12 2.29 1.04 -1.26 -4.85 113.70 114.08 2juw s SER 8 Ca 0.38 2.38 -0.27 0.00 0.48 0.00 0.00 55.95 58.91 2juw s SER 8 Cb -0.11 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.34 2juw s SER 8 CO 0.29 -0.81 1.63 0.78 0.98 0.00 0.00 173.24 176.11 2juw h ASN 9 N 2.38 -0.86 -0.75 7.02 4.21 -1.97 -2.50 115.58 123.11 2juw h ASN 9 Ca -0.49 0.11 0.06 0.00 1.21 0.00 0.00 56.30 57.19 2juw h ASN 9 Cb 1.24 0.34 -0.05 0.00 -1.12 0.00 0.00 38.32 38.73 2juw h ASN 9 CO 0.61 -0.37 0.50 0.74 -1.29 0.00 0.00 177.43 177.62 2juw h THR 10 N -0.47 1.04 0.28 2.81 2.02 -1.98 0.31 112.91 116.93 2juw h THR 10 Ca 0.05 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2juw h THR 10 Cb 0.53 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2juw h THR 10 CO -0.22 0.15 -0.13 -0.61 0.37 0.00 0.00 175.52 175.08 2juw h GLN 11 N 0.82 -0.36 -0.50 6.66 4.15 -1.85 0.12 115.11 124.15 2juw h GLN 11 Ca 0.32 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.73 2juw h GLN 11 Cb 0.22 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2juw h GLN 11 CO -0.11 -0.13 0.16 0.28 -1.93 0.00 0.00 178.83 177.10 2juw h VAL 12 N -0.54 1.23 -0.05 2.39 2.07 -1.12 -2.52 116.25 117.71 2juw h VAL 12 Ca -0.04 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.74 2juw h VAL 12 Cb 0.40 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2juw h VAL 12 CO 0.06 0.28 -0.15 -0.08 0.02 0.00 0.00 177.57 177.71 2juw h GLU 13 N 0.68 -0.22 -0.05 1.57 4.81 -0.28 0.42 114.58 121.51 2juw h GLU 13 Ca 0.16 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2juw h GLU 13 Cb 0.27 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2juw h GLU 13 CO -0.00 -0.14 -0.31 0.66 -0.73 0.00 0.00 179.01 178.48 2juw h SER 14 N -0.22 0.08 -0.10 1.04 4.64 -0.93 -1.04 113.55 117.02 2juw h SER 14 Ca 0.07 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2juw h SER 14 Cb 0.32 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2juw h SER 14 CO -0.18 0.40 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.05 2juw h LEU 15 N 0.08 0.22 -0.60 5.97 4.07 -0.95 -2.50 115.31 121.60 2juw h LEU 15 Ca 0.01 -0.42 0.03 0.00 0.08 0.00 0.00 57.88 57.58 2juw h LEU 15 Cb 0.60 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.23 2juw h LEU 15 CO 0.04 0.60 0.35 0.40 -1.08 0.00 0.00 178.44 178.75 2juw h ILE 16 N -0.15 1.04 -0.67 1.22 2.04 -0.62 -2.23 117.51 118.14 2juw h ILE 16 Ca 0.02 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.71 2juw h ILE 16 Cb 0.52 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 2juw h ILE 16 CO 0.02 0.13 0.35 0.00 0.00 0.00 0.00 178.15 178.64 2juw h ALA 17 N 1.27 0.90 -0.54 1.87 0.00 -1.18 -1.07 119.26 120.51 2juw h ALA 17 Ca 0.25 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2juw h ALA 17 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2juw h ALA 17 CO -0.12 -0.00 0.33 1.49 0.00 0.00 0.00 179.25 180.95 2juw h GLU 18 N 0.63 0.73 -0.43 0.00 4.57 -0.94 -0.28 114.58 118.86 2juw h GLU 18 Ca 0.31 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.35 2juw h GLU 18 Cb 0.25 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2juw h GLU 18 CO -0.21 0.52 -0.06 0.82 -1.18 0.00 0.00 179.01 178.90 2juw h ILE 19 N 0.72 1.24 -0.56 2.32 2.04 -0.97 -1.33 117.51 120.97 2juw h ILE 19 Ca 0.19 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.93 2juw h ILE 19 Cb -0.03 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2juw h ILE 19 CO -0.04 0.36 0.04 -0.07 0.00 0.00 0.00 178.15 178.44 2juw h LEU 20 N 0.67 0.91 -1.45 1.44 3.38 -0.68 -2.09 115.31 117.48 2juw h LEU 20 Ca 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2juw h LEU 20 Cb 0.50 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2juw h LEU 20 CO 0.03 0.94 -0.13 0.58 0.09 0.00 0.00 178.44 179.95 2juw h VAL 21 N 0.88 1.17 0.57 1.22 2.07 -0.33 -0.27 116.25 121.56 2juw h VAL 21 Ca 0.17 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 2juw h VAL 21 Cb 0.46 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2juw h VAL 21 CO 0.02 0.23 -0.28 0.58 0.02 0.00 0.00 177.57 178.14 2juw h VAL 22 N 0.19 0.43 -0.08 2.57 2.07 -0.58 0.40 116.25 121.26 2juw h VAL 22 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 2juw h VAL 22 Cb 0.35 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2juw h VAL 22 CO 0.02 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.41 2juw h LEU 23 N -0.77 -0.39 -0.64 2.57 3.38 -1.25 -2.58 115.31 115.62 2juw h LEU 23 Ca -0.08 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2juw h LEU 23 Cb 0.59 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 2juw h LEU 23 CO 0.13 -0.18 0.37 -0.08 0.09 0.00 0.00 178.44 178.77 2juw h GLU 24 N -0.18 0.68 0.00 1.13 4.22 -0.94 -1.94 114.58 117.55 2juw h GLU 24 Ca 0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.45 2juw h GLU 24 Cb 0.28 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2juw h GLU 24 CO -0.19 0.45 -0.11 -0.22 -2.18 0.00 0.00 179.01 176.76 2juw h LYS 25 N 0.70 0.00 -0.02 1.92 3.64 0.05 -0.65 116.57 122.21 2juw h LYS 25 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2juw h LYS 25 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2juw h LYS 25 CO -0.15 0.11 -0.18 0.72 -2.27 0.00 0.00 179.45 177.67 2juw n HIS 26 N -3.62 0.00 -2.45 1.91 8.25 -0.77 -4.94 115.22 113.60 2juw n HIS 26 Ca -0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.27 2juw n HIS 26 Cb 0.23 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 0.21 -1.95 -2.72 -0.41 4.81 -0.25 -4.95 118.16 112.89 2juw n LYS 27 Ca 0.14 0.83 -0.42 0.00 -0.87 0.00 0.00 58.31 57.99 2juw n LYS 27 Cb 0.44 -5.31 -0.03 0.00 0.02 0.00 0.00 35.03 30.15 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2juw s ALA 28 N -2.91 3.18 0.75 3.14 0.00 -1.11 -5.03 121.76 119.78 2juw s ALA 28 Ca 0.05 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 2juw s ALA 28 Cb -0.02 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.83 2juw s ALA 28 CO 0.06 -0.19 1.13 -1.25 0.00 0.00 0.00 175.76 175.51 2juw s PRO 29 N 0.83 2.22 0.33 0.00 0.04 -1.26 -4.74 135.00 132.42 2juw s PRO 29 Ca 0.51 1.42 0.06 0.00 0.04 0.00 0.00 61.00 63.02 2juw s PRO 29 Cb -0.21 -1.88 0.72 0.00 0.04 0.00 0.00 34.50 33.18 2juw s PRO 29 CO 0.28 -1.70 1.86 1.15 0.04 0.00 0.00 177.00 178.62 2juw h THR 30 N -0.70 0.86 -0.55 1.26 2.02 -1.98 0.18 112.91 114.00 2juw h THR 30 Ca -0.45 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.45 2juw h THR 30 Cb 1.25 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2juw h THR 30 CO 0.50 0.15 0.35 -0.78 0.37 0.00 0.00 175.52 176.11 2juw h ASP 31 N 0.80 0.65 0.56 4.18 3.58 -2.00 0.36 116.42 124.54 2juw h ASP 31 Ca 0.47 -0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.73 2juw h ASP 31 Cb 0.64 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 2juw h ASP 31 CO -0.23 0.49 -0.67 0.25 -2.88 0.00 0.00 179.24 176.20 2juw h LEU 32 N 0.75 0.11 -0.22 2.28 5.85 -1.51 -2.59 115.31 119.98 2juw h LEU 32 Ca 0.20 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2juw h LEU 32 Cb -0.05 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2juw h LEU 32 CO -0.04 0.74 0.09 0.28 -0.34 0.00 0.00 178.44 179.17 2juw h SER 33 N 0.07 0.31 -0.93 1.25 0.02 -0.04 0.38 113.55 114.59 2juw h SER 33 Ca -0.01 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2juw h SER 33 Cb 1.18 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 2juw h SER 33 CO 0.09 0.39 0.56 -0.07 -1.14 0.00 0.00 176.83 176.67 2juw h LEU 34 N 0.20 1.12 -0.33 5.07 3.38 -0.90 0.12 115.31 123.98 2juw h LEU 34 Ca 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2juw h LEU 34 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2juw h LEU 34 CO -0.01 0.86 0.15 -0.03 0.09 0.00 0.00 178.44 179.51 2juw h MET 35 N 1.29 0.47 -0.14 1.13 4.05 -1.15 0.24 114.93 120.81 2juw h MET 35 Ca 0.34 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.67 2juw h MET 35 Cb -0.06 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 2juw h MET 35 CO -0.06 0.45 0.04 0.00 0.23 0.00 0.00 176.91 177.56 2juw h ALA 36 N 1.00 0.18 -0.79 0.39 0.00 -0.45 -2.69 119.26 116.91 2juw h ALA 36 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2juw h ALA 36 Cb 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2juw h ALA 36 CO -0.01 -0.19 0.35 -0.07 0.00 0.00 0.00 179.25 179.32 2juw h LEU 37 N 0.04 1.06 -0.28 0.00 -0.00 -0.71 0.56 115.31 115.97 2juw h LEU 37 Ca 0.04 -0.15 0.04 0.00 -0.00 0.00 0.00 57.88 57.81 2juw h LEU 37 Cb 0.23 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 40.59 2juw h LEU 37 CO -0.00 0.92 0.05 1.23 -0.00 0.00 0.00 178.44 180.64 2juw h GLY 38 N 1.13 0.31 1.55 0.83 0.00 -0.85 0.76 103.07 106.80 2juw h GLY 38 Ca 0.27 -0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 2juw h GLY 38 CO -0.03 -0.01 -0.47 3.43 0.00 0.00 0.00 176.54 179.46 2juw h ASN 39 N 0.16 0.53 0.23 0.19 2.35 -1.28 -2.78 115.58 114.97 2juw h ASN 39 Ca 0.13 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2juw h ASN 39 Cb 0.13 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2juw h ASN 39 CO -0.17 0.92 -0.11 0.00 -1.65 0.00 0.00 177.43 176.42 2juw h VAL 41 N -0.35 1.10 -0.10 0.00 2.07 -0.89 -1.92 116.25 116.16 2juw h VAL 41 Ca -0.03 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 2juw h VAL 41 Cb 0.27 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2juw h VAL 41 CO 0.05 0.13 -0.46 0.74 0.02 0.00 0.00 177.57 178.06 2juw h THR 42 N 0.71 1.33 0.00 2.57 2.02 -1.36 -2.78 112.91 115.40 2juw h THR 42 Ca 0.21 -1.63 -0.08 0.00 0.77 0.00 0.00 66.41 65.69 2juw h THR 42 Cb -0.04 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2juw h THR 42 CO -0.07 0.49 -0.36 -0.74 0.37 0.00 0.00 175.52 175.21 2juw h HIS 43 N 0.20 0.00 -0.06 3.16 2.76 0.09 -1.91 115.15 119.39 2juw h HIS 43 Ca 0.01 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.97 2juw h HIS 43 Cb 0.88 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2juw h HIS 43 CO 0.02 0.36 -0.83 -0.07 -1.30 0.00 0.00 177.93 176.10 2juw h LEU 44 N 0.00 0.62 -1.37 0.26 3.38 -1.12 -3.02 115.31 114.06 2juw h LEU 44 Ca -0.00 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 2juw h LEU 44 Cb 0.76 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2juw h LEU 44 CO 0.05 1.22 -0.16 -0.07 0.09 0.00 0.00 178.44 179.56 2juw h LEU 45 N 0.32 0.21 0.00 1.67 3.38 -1.11 0.20 115.31 119.98 2juw h LEU 45 Ca -0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2juw h LEU 45 Cb 1.44 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2juw h LEU 45 CO 0.15 0.39 -0.50 -1.84 0.09 0.00 0.00 178.44 176.73 2juw n GLU 46 N -4.25 0.25 -0.03 1.13 0.28 -0.86 -3.52 120.64 113.65 2juw n GLU 46 Ca -0.01 0.10 -0.04 0.00 -0.16 0.00 0.00 57.16 57.04 2juw n GLU 46 Cb 0.29 -1.68 -0.01 0.00 1.43 0.00 0.00 31.44 31.46 2juw n GLU 46 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2juw n ARG 47 N -2.06 0.25 0.06 3.44 5.12 -0.92 -4.72 116.66 117.83 2juw n ARG 47 Ca 0.04 0.10 0.13 0.00 -1.93 0.00 0.00 57.85 56.18 2juw n ARG 47 Cb 0.43 -0.89 0.30 0.00 -1.16 0.00 0.00 32.46 31.14 2juw n ARG 47 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2juw n LYS 48 N -3.70 0.23 -4.47 5.56 4.76 0.01 -4.76 118.16 115.79 2juw n LYS 48 Ca -0.07 0.11 -0.34 0.00 -2.87 0.00 0.00 58.31 55.15 2juw n LYS 48 Cb 0.24 -1.69 -0.13 0.00 -1.84 0.00 0.00 35.03 31.62 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 -3.11 3.62 0.62 -0.18 1.01 -1.12 -5.04 120.40 116.20 2juw s VAL 49 Ca 0.09 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 2juw s VAL 49 Cb 0.14 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2juw s VAL 49 CO 0.66 0.50 1.19 -2.16 0.00 0.00 0.00 175.10 175.29 2juw s PRO 50 N 0.44 2.81 0.52 2.72 0.04 -1.26 -4.37 135.00 135.89 2juw s PRO 50 Ca -0.05 1.75 0.26 0.00 0.04 0.00 0.00 61.00 62.99 2juw s PRO 50 Cb -0.15 -1.92 1.37 0.00 0.04 0.00 0.00 34.50 33.85 2juw s PRO 50 CO 0.03 -1.31 1.95 0.77 0.04 0.00 0.00 177.00 178.48 2juw h SER 51 N 0.58 0.06 -0.08 6.66 0.02 -1.94 0.13 113.55 118.98 2juw h SER 51 Ca -0.49 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.50 2juw h SER 51 Cb 1.29 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.77 2juw h SER 51 CO 0.54 0.03 -0.21 -0.08 -1.14 0.00 0.00 176.83 175.97 2juw h GLU 52 N 0.06 -0.28 0.00 3.45 4.22 -1.98 -2.97 114.58 117.08 2juw h GLU 52 Ca 0.32 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.78 2juw h GLU 52 Cb 1.20 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2juw h GLU 52 CO -0.02 -0.19 -0.87 0.43 -2.18 0.00 0.00 179.01 176.18 2juw n SER 53 N -5.34 0.69 -0.30 1.04 7.64 -0.55 -4.28 113.62 112.51 2juw n SER 53 Ca -0.04 -0.48 0.04 0.00 1.01 0.00 0.00 58.87 59.41 2juw n SER 53 Cb 0.26 0.71 0.18 0.00 -1.01 0.00 0.00 64.21 64.36 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 0.76 0.13 1.43 2.43 -0.62 0.16 114.38 118.67 2juw h ARG 54 Ca 0.00 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 58.85 2juw h ARG 54 Cb 0.59 -0.17 0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2juw h ARG 54 CO 0.00 0.50 -1.16 0.37 -1.51 0.00 0.00 179.97 178.17 2juw h GLN 55 N 0.78 0.56 0.02 0.20 -0.00 -1.74 -3.12 115.11 111.81 2juw h GLN 55 Ca 0.42 -0.77 -0.00 0.00 -0.00 0.00 0.00 58.65 58.29 2juw h GLN 55 Cb 0.43 0.26 0.00 0.00 0.00 0.00 0.00 27.48 28.17 2juw h GLN 55 CO -0.27 1.35 -0.01 0.00 0.00 0.00 0.00 178.83 179.90 2juw h ALA 56 N 0.25 -0.03 -0.89 3.38 0.00 -1.57 -2.62 119.26 117.77 2juw h ALA 56 Ca -0.18 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2juw h ALA 56 Cb 1.86 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 2juw h ALA 56 CO 0.22 -0.43 0.59 0.28 0.00 0.00 0.00 179.25 179.91 2juw h VAL 57 N -0.20 1.21 -0.37 0.00 2.07 -0.85 -2.03 116.25 116.08 2juw h VAL 57 Ca -0.00 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.17 2juw h VAL 57 Cb 0.19 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 2juw h VAL 57 CO 0.01 0.22 0.05 0.00 0.02 0.00 0.00 177.57 177.86 2juw h ALA 58 N 1.45 0.37 -0.24 1.67 0.00 -1.42 0.26 119.26 121.36 2juw h ALA 58 Ca 0.33 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 2juw h ALA 58 Cb -0.10 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2juw h ALA 58 CO -0.08 -0.35 -0.08 0.93 0.00 0.00 0.00 179.25 179.66 2juw h GLU 59 N 0.16 0.49 -0.61 0.00 5.08 -1.11 -1.76 114.58 116.82 2juw h GLU 59 Ca 0.18 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2juw h GLU 59 Cb 0.22 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2juw h GLU 59 CO -0.25 0.73 0.03 1.96 -1.00 0.00 0.00 179.01 180.48 2juw h GLN 60 N 0.22 1.05 -0.64 2.33 4.20 -1.01 -0.43 115.11 120.82 2juw h GLN 60 Ca 0.06 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 2juw h GLN 60 Cb 0.57 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2juw h GLN 60 CO 0.03 1.00 0.28 0.35 -0.67 0.00 0.00 178.83 179.82 2juw h PHE 61 N 0.96 0.96 -0.28 2.96 3.57 -0.49 -1.27 116.94 123.35 2juw h PHE 61 Ca 0.18 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2juw h PHE 61 Cb 0.51 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2juw h PHE 61 CO 0.04 0.74 0.18 0.00 -2.23 0.00 0.00 178.31 177.03 2juw h ALA 62 N 1.12 0.36 -0.52 2.41 0.00 -0.75 0.89 119.26 122.76 2juw h ALA 62 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2juw h ALA 62 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2juw h ALA 62 CO -0.02 -0.15 0.25 0.87 0.00 0.00 0.00 179.25 180.20 2juw h LYS 63 N 0.36 0.74 -0.64 0.00 1.57 -0.94 -1.64 116.57 116.02 2juw h LYS 63 Ca 0.10 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2juw h LYS 63 Cb -0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2juw h LYS 63 CO -0.02 0.61 0.22 0.00 -0.57 0.00 0.00 179.45 179.68 2juw h ALA 64 N 1.09 0.84 0.18 3.86 0.00 -0.99 -1.63 119.26 122.62 2juw h ALA 64 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2juw h ALA 64 Cb 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2juw h ALA 64 CO -0.02 0.50 -0.10 1.25 0.00 0.00 0.00 179.25 180.87 2juw h LEU 65 N 0.92 -0.25 -0.85 0.00 5.85 -0.53 -0.49 115.31 119.96 2juw h LEU 65 Ca 0.21 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 2juw h LEU 65 Cb 0.27 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2juw h LEU 65 CO -0.01 -0.17 0.42 0.00 -0.34 0.00 0.00 178.44 178.35 2juw h ALA 66 N 0.55 1.10 -0.03 1.25 0.00 -1.21 -1.87 119.26 119.05 2juw h ALA 66 Ca -0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2juw h ALA 66 Cb 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2juw h ALA 66 CO 0.03 0.65 -0.38 0.37 0.00 0.00 0.00 179.25 179.92 2juw h GLN 67 N 1.21 0.06 -0.37 0.00 5.75 -1.11 0.03 115.11 120.68 2juw h GLN 67 Ca 0.29 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.67 2juw h GLN 67 Cb 0.10 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2juw h GLN 67 CO -0.04 0.43 -0.19 0.77 -2.65 0.00 0.00 178.83 177.16 2juw h SER 68 N 0.05 0.69 -0.05 -0.69 0.02 -0.29 -2.90 113.55 110.38 2juw h SER 68 Ca 0.00 -0.23 -0.25 0.00 -0.84 0.00 0.00 61.79 60.47 2juw h SER 68 Cb 0.70 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 63.07 2juw h SER 68 CO 0.05 0.88 -0.96 0.58 -1.14 0.00 0.00 176.83 176.24 2juw h VAL 69 N 0.61 1.28 -0.30 2.27 2.07 -1.01 -3.29 116.25 117.88 2juw h VAL 69 Ca 0.09 -2.15 0.09 0.00 0.82 0.00 0.00 66.70 65.55 2juw h VAL 69 Cb 0.66 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2juw h VAL 69 CO 0.05 0.67 0.28 0.50 0.02 0.00 0.00 177.57 179.09 2juw h LYS 70 N 0.45 0.00 -0.00 1.57 3.64 -0.79 -1.47 116.57 119.96 2juw h LYS 70 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2juw h LYS 70 Cb 1.60 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2juw h LYS 70 CO 0.19 0.00 0.00 1.03 -2.27 0.00 0.00 179.45 178.40 2juw h SER 71 N 0.00 0.00 1.16 4.20 0.87 -1.61 0.22 113.55 118.38 2juw h SER 71 Ca 0.14 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 2juw h SER 71 Cb 0.71 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2juw h SER 71 CO -0.00 0.00 -0.87 -0.55 -0.53 0.00 0.00 176.83 174.88 2juw h ASN 72 N 0.00 0.00 0.04 6.23 7.08 -1.51 -3.39 115.58 124.03 2juw h ASN 72 Ca 0.00 0.00 -0.38 0.00 -3.08 0.00 0.00 56.30 52.84 2juw h ASN 72 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.19 2juw h ASN 72 CO -0.00 0.16 -2.31 -0.11 -2.08 0.00 0.00 177.43 173.09 2juw n LEU 73 N -2.84 2.80 -1.39 6.14 -0.00 -0.05 -4.26 117.00 117.40 2juw n LEU 73 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.96 2juw n LEU 73 Cb 0.62 -0.97 0.02 0.00 -0.00 0.00 0.00 43.42 43.09 2juw n LEU 73 CO 0.40 0.88 0.83 -1.84 -0.00 0.00 0.00 177.39 177.65 2juw n GLU 74 N -3.41 1.23 -1.67 1.96 0.28 0.57 -4.76 120.64 114.85 2juw n GLU 74 Ca -0.42 -0.51 -0.39 0.00 -0.16 0.00 0.00 57.16 55.69 2juw n GLU 74 Cb 1.00 -1.20 -0.03 0.00 1.43 0.00 0.00 31.44 32.64 2juw n GLU 74 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2juw s HIS 75 N -0.57 1.23 0.00 -1.84 2.46 -1.26 -2.96 115.29 112.35 2juw s HIS 75 Ca 0.10 1.12 0.00 0.00 0.47 0.00 0.00 55.06 56.75 2juw s HIS 75 Cb 0.08 -3.78 0.00 0.00 -0.13 0.00 0.00 32.58 28.75 2juw s HIS 75 CO 0.01 -2.95 0.00 1.58 -2.47 0.00 0.00 174.74 170.91 2juw n HIS 76 N 13.94 0.00 -2.92 3.88 -0.00 -1.26 -4.80 115.22 124.06 2juw n HIS 76 Ca 0.32 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.60 2juw n HIS 76 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 2juw n HIS 76 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2juw n HIS 77 N 0.00 4.22 -0.28 1.57 -0.00 -1.16 -4.75 115.22 114.82 2juw n HIS 77 Ca 0.00 -3.26 -0.06 0.00 -0.00 0.00 0.00 57.72 54.40 2juw n HIS 77 Cb 0.00 -1.89 0.06 0.00 -0.00 0.00 0.00 29.99 28.16 2juw n HIS 77 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2juw h HIS 78 N 6.46 1.21 0.00 1.57 2.76 -1.86 -3.38 115.15 121.91 2juw h HIS 78 Ca 0.29 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2juw h HIS 78 Cb 0.78 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2juw h HIS 78 CO 1.04 0.94 0.00 1.58 -1.30 0.00 0.00 177.93 180.19 2juw n HIS 79 N -4.26 0.00 -0.07 5.26 -0.00 -1.26 -4.96 115.22 109.93 2juw n HIS 79 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2juw n HIS 79 Cb 0.22 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.09 2juw n HIS 79 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38