#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 1.89 -3.65 -5.12 0.00 -1.26 -5.10 120.51 107.27 2juw n ALA 2 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 2juw n ALA 2 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2juw n ALA 2 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2juw s ILE 3 N 0.00 1.00 0.00 0.00 2.07 -1.26 -4.93 121.20 118.08 2juw s ILE 3 Ca 0.00 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 2juw s ILE 3 Cb 0.00 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.62 2juw s ILE 3 CO 0.00 0.34 0.00 1.67 -1.91 0.00 0.00 174.94 175.04 2juw n GLN 4 N 4.29 0.00 0.00 3.50 7.27 -1.26 -4.87 117.38 126.31 2juw n GLN 4 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.88 2juw n GLN 4 Cb 0.51 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.16 2juw n GLN 4 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2juw n SER 5 N 2.31 0.00 -0.00 1.69 7.64 -1.26 -0.97 113.62 123.02 2juw n SER 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2juw n SER 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2juw n SER 5 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2juw n LYS 6 N 0.00 1.44 -2.98 1.43 2.85 -1.26 -5.07 118.16 114.57 2juw n LYS 6 Ca 0.00 -0.99 -0.09 0.00 -1.05 0.00 0.00 58.31 56.18 2juw n LYS 6 Cb 0.00 -0.74 -0.03 0.00 -0.65 0.00 0.00 35.03 33.61 2juw n LYS 6 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2juw n TYR 7 N -0.25 -0.57 -4.54 5.58 4.01 -0.14 -5.16 117.16 116.08 2juw n TYR 7 Ca 0.00 -1.30 -0.26 0.00 -0.16 0.00 0.00 57.90 56.18 2juw n TYR 7 Cb 0.38 0.19 -0.17 0.00 -0.31 0.00 0.00 39.34 39.43 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 -2.11 1.99 0.21 7.72 0.15 -1.26 -4.44 113.70 115.97 2juw s SER 8 Ca 0.18 -0.33 -0.09 0.00 0.70 0.00 0.00 55.95 56.40 2juw s SER 8 Cb 0.00 -0.90 0.24 0.00 -1.71 0.00 0.00 66.02 63.65 2juw s SER 8 CO 0.13 0.02 1.83 -1.13 1.20 0.00 0.00 173.24 175.29 2juw h ASN 9 N 7.13 0.65 -0.67 5.45 -0.73 -1.99 0.18 115.58 125.60 2juw h ASN 9 Ca -0.30 0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.89 2juw h ASN 9 Cb 1.18 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.63 2juw h ASN 9 CO 0.47 0.43 0.44 0.74 -0.37 0.00 0.00 177.43 179.14 2juw h THR 10 N 0.79 1.18 -0.07 -3.57 2.02 -1.98 0.25 112.91 111.52 2juw h THR 10 Ca 0.31 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2juw h THR 10 Cb 0.13 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2juw h THR 10 CO -0.16 0.17 0.03 -0.61 0.37 0.00 0.00 175.52 175.33 2juw h GLN 11 N 0.91 0.10 -0.27 6.66 4.15 -1.75 0.13 115.11 125.04 2juw h GLN 11 Ca 0.25 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.67 2juw h GLN 11 Cb -0.09 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 2juw h GLN 11 CO -0.05 0.19 0.14 0.28 -1.93 0.00 0.00 178.83 177.45 2juw h VAL 12 N -0.01 1.00 -0.75 2.39 2.07 -0.76 -0.32 116.25 119.87 2juw h VAL 12 Ca 0.02 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2juw h VAL 12 Cb 0.12 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2juw h VAL 12 CO -0.00 0.05 0.48 -0.08 0.02 0.00 0.00 177.57 178.04 2juw h GLU 13 N 0.29 1.00 -0.77 1.57 4.22 -0.76 0.60 114.58 120.73 2juw h GLU 13 Ca 0.11 -0.07 -0.04 0.00 0.08 0.00 0.00 59.36 59.44 2juw h GLU 13 Cb 0.03 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 2juw h GLU 13 CO -0.07 0.68 0.32 1.03 -2.18 0.00 0.00 179.01 178.79 2juw h SER 14 N 1.02 1.03 -0.46 1.04 0.87 -0.33 0.28 113.55 117.00 2juw h SER 14 Ca 0.27 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 2juw h SER 14 Cb -0.08 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.60 2juw h SER 14 CO -0.06 0.90 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.99 2juw h LEU 15 N 1.11 0.87 -0.35 2.23 4.07 -0.33 -1.09 115.31 121.82 2juw h LEU 15 Ca 0.26 -0.35 0.04 0.00 0.08 0.00 0.00 57.88 57.91 2juw h LEU 15 Cb 0.18 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.65 2juw h LEU 15 CO -0.03 1.02 0.14 0.40 -1.08 0.00 0.00 178.44 178.89 2juw h ILE 16 N 0.71 0.93 -0.58 1.22 2.04 -0.45 -0.60 117.51 120.77 2juw h ILE 16 Ca 0.12 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2juw h ILE 16 Cb 0.62 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2juw h ILE 16 CO 0.04 0.05 0.39 0.00 0.00 0.00 0.00 178.15 178.63 2juw h ALA 17 N 1.21 1.62 -0.05 1.87 0.00 -0.76 0.91 119.26 124.07 2juw h ALA 17 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2juw h ALA 17 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2juw h ALA 17 CO -0.14 0.34 -0.01 1.49 0.00 0.00 0.00 179.25 180.92 2juw h GLU 18 N 0.75 0.10 -0.74 0.00 4.81 -0.32 0.11 114.58 119.30 2juw h GLU 18 Ca 0.22 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2juw h GLU 18 Cb -0.03 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 2juw h GLU 18 CO -0.05 0.42 0.47 0.82 -0.73 0.00 0.00 179.01 179.94 2juw h ILE 19 N -0.24 1.20 -0.76 2.32 2.04 -0.78 -1.64 117.51 119.65 2juw h ILE 19 Ca 0.01 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 2juw h ILE 19 Cb 0.39 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2juw h ILE 19 CO 0.00 0.20 0.29 -0.07 0.00 0.00 0.00 178.15 178.57 2juw h LEU 20 N 1.01 1.05 -0.67 1.44 3.38 -0.55 -2.54 115.31 118.43 2juw h LEU 20 Ca 0.27 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2juw h LEU 20 Cb -0.09 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.33 2juw h LEU 20 CO -0.05 0.94 0.36 0.58 0.09 0.00 0.00 178.44 180.36 2juw h VAL 21 N 1.09 0.95 -0.42 1.22 2.07 -0.01 0.43 116.25 121.58 2juw h VAL 21 Ca 0.25 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2juw h VAL 21 Cb 0.23 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2juw h VAL 21 CO -0.02 0.12 0.25 0.58 0.02 0.00 0.00 177.57 178.52 2juw h VAL 22 N 0.66 1.05 -0.70 2.57 2.07 -1.20 0.94 116.25 121.64 2juw h VAL 22 Ca 0.30 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 2juw h VAL 22 Cb 0.21 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2juw h VAL 22 CO -0.20 0.09 0.31 -0.07 0.02 0.00 0.00 177.57 177.72 2juw h LEU 23 N 0.50 0.94 -1.08 2.57 3.38 -0.92 -2.76 115.31 117.94 2juw h LEU 23 Ca 0.17 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2juw h LEU 23 Cb 0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 2juw h LEU 23 CO -0.08 0.83 0.62 -0.33 0.09 0.00 0.00 178.44 179.58 2juw h GLU 24 N 0.98 1.21 -0.05 1.13 5.08 0.47 0.21 114.58 123.62 2juw h GLU 24 Ca 0.24 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2juw h GLU 24 Cb 0.17 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2juw h GLU 24 CO -0.02 0.80 0.04 -0.22 -1.00 0.00 0.00 179.01 178.61 2juw h LYS 25 N 1.25 0.00 0.00 2.33 3.64 -0.55 -1.99 116.57 121.25 2juw h LYS 25 Ca 0.35 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.51 2juw h LYS 25 Cb -0.11 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2juw h LYS 25 CO -0.08 0.00 -1.18 0.45 -2.27 0.00 0.00 179.45 176.36 2juw h HIS 26 N 0.00 0.00 -5.99 1.91 3.86 -0.80 -3.48 115.15 110.65 2juw h HIS 26 Ca 0.02 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.83 2juw h HIS 26 Cb 0.10 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.65 2juw h HIS 26 CO 0.00 0.94 -0.78 1.63 0.86 0.00 0.00 177.93 180.58 2juw n LYS 27 N -3.23 -5.97 -2.63 2.45 5.02 -0.56 -4.95 118.16 108.30 2juw n LYS 27 Ca -0.05 0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 56.54 2juw n LYS 27 Cb 0.95 -5.53 -0.04 0.00 -0.02 0.00 0.00 35.03 30.39 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 -3.46 3.32 0.94 7.82 0.00 -1.24 -5.04 121.76 124.11 2juw s ALA 28 Ca 0.24 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 2juw s ALA 28 Cb -0.11 -3.30 0.16 0.00 0.00 0.00 0.00 23.12 19.86 2juw s ALA 28 CO 0.78 -0.07 1.09 -2.14 0.00 0.00 0.00 175.76 175.43 2juw s PRO 29 N -0.46 0.88 0.33 0.00 0.02 -1.26 -4.70 135.00 129.80 2juw s PRO 29 Ca 0.47 1.04 0.04 0.00 0.02 0.00 0.00 61.00 62.57 2juw s PRO 29 Cb -0.27 -1.75 0.65 0.00 0.02 0.00 0.00 34.50 33.16 2juw s PRO 29 CO 0.33 -2.56 1.91 1.15 -0.33 0.00 0.00 177.00 177.50 2juw h THR 30 N -1.79 1.00 -0.32 0.99 2.02 -1.99 -0.11 112.91 112.71 2juw h THR 30 Ca -0.50 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 2juw h THR 30 Cb 1.28 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2juw h THR 30 CO 0.50 0.16 0.08 -0.78 0.37 0.00 0.00 175.52 175.85 2juw h ASP 31 N 0.88 0.48 0.12 4.18 3.58 -2.00 -2.17 116.42 121.50 2juw h ASP 31 Ca 0.38 -0.23 -0.24 0.00 0.42 0.00 0.00 57.03 57.37 2juw h ASP 31 Cb 0.34 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.27 2juw h ASP 31 CO -0.15 0.59 -0.93 0.25 -2.88 0.00 0.00 179.24 176.12 2juw h LEU 32 N 0.35 0.74 -0.14 2.28 5.85 -1.74 -2.48 115.31 120.17 2juw h LEU 32 Ca 0.10 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 2juw h LEU 32 Cb 0.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2juw h LEU 32 CO 0.00 1.35 0.04 0.77 -0.34 0.00 0.00 178.44 180.26 2juw h SER 33 N 0.35 0.21 -0.84 1.25 4.64 -1.04 0.27 113.55 118.39 2juw h SER 33 Ca -0.09 -0.23 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 2juw h SER 33 Cb 1.56 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.55 2juw h SER 33 CO 0.17 0.39 0.56 -0.07 -0.87 0.00 0.00 176.83 177.01 2juw h LEU 34 N 0.03 0.94 -0.23 5.97 3.38 -1.44 0.16 115.31 124.12 2juw h LEU 34 Ca 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2juw h LEU 34 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2juw h LEU 34 CO 0.00 0.66 0.07 -0.03 0.09 0.00 0.00 178.44 179.23 2juw h MET 35 N 1.10 0.36 -0.29 1.13 4.05 -1.09 -0.83 114.93 119.37 2juw h MET 35 Ca 0.32 -0.08 -0.05 0.00 -0.28 0.00 0.00 59.70 59.61 2juw h MET 35 Cb -0.06 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 2juw h MET 35 CO -0.08 0.46 0.00 0.00 0.23 0.00 0.00 176.91 177.52 2juw h ALA 36 N 0.89 0.39 -0.56 0.39 0.00 -0.46 -2.51 119.26 117.39 2juw h ALA 36 Ca 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2juw h ALA 36 Cb 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2juw h ALA 36 CO -0.00 0.13 0.34 -0.07 0.00 0.00 0.00 179.25 179.65 2juw h LEU 37 N 0.30 0.56 -0.22 0.00 -0.00 -0.66 -0.92 115.31 114.36 2juw h LEU 37 Ca 0.08 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.98 2juw h LEU 37 Cb 0.42 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 2juw h LEU 37 CO 0.01 0.39 0.09 1.23 -0.00 0.00 0.00 178.44 180.16 2juw h GLY 38 N 0.68 0.28 1.26 0.83 0.00 -1.05 -1.20 103.07 103.86 2juw h GLY 38 Ca 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 2juw h GLY 38 CO -0.09 0.04 0.24 3.43 0.00 0.00 0.00 176.54 180.16 2juw h ASN 39 N 0.20 0.86 0.33 0.19 2.35 -1.16 -1.45 115.58 116.89 2juw h ASN 39 Ca 0.10 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2juw h ASN 39 Cb 0.05 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2juw h ASN 39 CO -0.09 0.78 -0.16 0.00 -1.65 0.00 0.00 177.43 176.31 2juw h VAL 41 N -0.50 1.00 -0.81 0.00 2.07 -1.05 -0.60 116.25 116.35 2juw h VAL 41 Ca -0.04 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2juw h VAL 41 Cb 0.38 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2juw h VAL 41 CO 0.07 0.11 0.35 0.74 0.02 0.00 0.00 177.57 178.86 2juw h THR 42 N 0.58 1.26 0.00 2.57 2.02 -1.15 -0.75 112.91 117.43 2juw h THR 42 Ca 0.23 -0.79 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 2juw h THR 42 Cb 0.09 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 2juw h THR 42 CO -0.13 0.33 -0.56 -0.74 0.37 0.00 0.00 175.52 174.79 2juw h HIS 43 N 1.17 0.00 -0.23 3.16 6.17 -0.53 0.88 115.15 125.78 2juw h HIS 43 Ca 0.27 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.28 2juw h HIS 43 Cb 0.18 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.11 2juw h HIS 43 CO 0.02 0.56 -0.15 -0.07 0.71 0.00 0.00 177.93 179.00 2juw h LEU 44 N 0.00 0.52 -1.89 0.26 3.38 -0.69 -2.09 115.31 114.80 2juw h LEU 44 Ca -0.01 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2juw h LEU 44 Cb 1.08 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2juw h LEU 44 CO 0.07 0.85 -0.13 0.25 0.09 0.00 0.00 178.44 179.57 2juw h LEU 45 N 0.20 0.00 -0.02 1.67 6.46 -0.86 -0.54 115.31 122.23 2juw h LEU 45 Ca 0.05 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2juw h LEU 45 Cb 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 2juw h LEU 45 CO 0.04 0.13 -0.05 -0.08 -0.62 0.00 0.00 178.44 177.86 2juw h GLU 46 N 0.00 0.06 0.10 1.25 4.81 -0.58 -3.16 114.58 117.05 2juw h GLU 46 Ca -0.00 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 58.84 2juw h GLU 46 Cb 0.32 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2juw h GLU 46 CO 0.02 0.67 -1.88 -2.13 -0.73 0.00 0.00 179.01 174.96 2juw n ARG 47 N -4.73 0.72 0.00 1.92 3.00 -0.81 -4.28 116.66 112.48 2juw n ARG 47 Ca -0.09 0.32 0.12 0.00 -0.00 0.00 0.00 57.85 58.20 2juw n ARG 47 Cb 0.34 -1.71 0.22 0.00 0.00 0.00 0.00 32.46 31.31 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 -3.67 0.54 -4.47 -0.14 5.02 -0.23 -4.79 118.16 110.43 2juw n LYS 48 Ca -0.33 -0.36 -0.30 0.00 -2.02 0.00 0.00 58.31 55.30 2juw n LYS 48 Cb 0.98 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 34.33 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2juw s VAL 49 N -2.71 1.69 0.64 -0.18 1.01 -1.19 -5.02 120.40 114.64 2juw s VAL 49 Ca 0.18 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 2juw s VAL 49 Cb 0.18 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 2juw s VAL 49 CO 0.62 0.48 1.28 -2.16 0.00 0.00 0.00 175.10 175.32 2juw s PRO 50 N 1.00 2.62 0.27 2.72 0.04 -1.26 -4.56 135.00 135.82 2juw s PRO 50 Ca -0.05 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 2juw s PRO 50 Cb -0.15 -1.86 0.58 0.00 0.04 0.00 0.00 34.50 33.11 2juw s PRO 50 CO -0.03 -1.53 1.71 0.66 0.04 0.00 0.00 177.00 177.85 2juw h SER 51 N 0.60 0.29 -0.45 6.66 4.64 -1.91 0.39 113.55 123.78 2juw h SER 51 Ca -0.51 0.13 0.07 0.00 -0.47 0.00 0.00 61.79 61.02 2juw h SER 51 Cb 1.33 0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 63.47 2juw h SER 51 CO 0.53 0.06 0.08 -0.08 -0.87 0.00 0.00 176.83 176.55 2juw h GLU 52 N 0.43 0.21 0.00 4.77 4.22 -2.01 -2.09 114.58 120.10 2juw h GLU 52 Ca 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.91 2juw h GLU 52 Cb 0.82 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2juw h GLU 52 CO -0.47 0.14 -0.63 0.43 -2.18 0.00 0.00 179.01 176.30 2juw n SER 53 N -5.11 0.59 -0.33 1.04 7.64 -0.40 -3.89 113.62 113.16 2juw n SER 53 Ca 0.04 -0.14 -0.04 0.00 1.01 0.00 0.00 58.87 59.75 2juw n SER 53 Cb 0.22 0.32 0.10 0.00 -1.01 0.00 0.00 64.21 63.84 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 1.24 0.05 1.43 2.43 0.45 0.33 114.38 120.30 2juw h ARG 54 Ca 0.00 -0.14 -0.24 0.00 -0.81 0.00 0.00 59.98 58.78 2juw h ARG 54 Cb 0.61 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2juw h ARG 54 CO 0.00 0.91 -1.04 0.37 -1.51 0.00 0.00 179.97 178.69 2juw h GLN 55 N 1.25 0.36 -0.17 0.20 4.15 -1.66 -2.53 115.11 116.71 2juw h GLN 55 Ca 0.31 -0.45 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 2juw h GLN 55 Cb 0.03 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2juw h GLN 55 CO -0.05 1.14 -0.00 0.00 -1.93 0.00 0.00 178.83 177.99 2juw h ALA 56 N 0.69 0.23 -0.36 3.38 0.00 -1.54 -2.48 119.26 119.17 2juw h ALA 56 Ca -0.10 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2juw h ALA 56 Cb 1.71 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2juw h ALA 56 CO 0.18 -0.06 -0.17 0.28 0.00 0.00 0.00 179.25 179.47 2juw h VAL 57 N 0.04 1.26 -0.31 0.00 2.07 -0.46 -2.22 116.25 116.63 2juw h VAL 57 Ca 0.05 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.39 2juw h VAL 57 Cb 0.39 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2juw h VAL 57 CO 0.01 0.40 0.10 0.00 0.02 0.00 0.00 177.57 178.10 2juw h ALA 58 N 1.21 0.35 0.21 1.67 0.00 -1.34 0.38 119.26 121.74 2juw h ALA 58 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2juw h ALA 58 Cb 0.63 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2juw h ALA 58 CO 0.04 -0.30 -0.22 0.93 0.00 0.00 0.00 179.25 179.70 2juw h GLU 59 N 0.23 -0.45 -0.38 0.00 4.39 -1.26 -1.17 114.58 115.93 2juw h GLU 59 Ca 0.14 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2juw h GLU 59 Cb 0.11 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2juw h GLU 59 CO -0.15 -0.30 0.25 1.96 -1.16 0.00 0.00 179.01 179.62 2juw h GLN 60 N -0.47 0.50 -0.29 2.33 4.20 -1.00 -2.20 115.11 118.18 2juw h GLN 60 Ca -0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2juw h GLN 60 Cb 0.44 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2juw h GLN 60 CO -0.06 0.33 0.14 0.35 -0.67 0.00 0.00 178.83 178.93 2juw h PHE 61 N 0.52 0.41 -0.91 2.96 3.57 -0.18 0.39 116.94 123.70 2juw h PHE 61 Ca 0.14 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2juw h PHE 61 Cb -0.06 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.51 2juw h PHE 61 CO -0.05 0.37 0.60 0.00 -2.23 0.00 0.00 178.31 177.00 2juw h ALA 62 N 1.00 1.16 -0.01 2.41 0.00 -1.02 0.17 119.26 122.98 2juw h ALA 62 Ca 0.10 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2juw h ALA 62 Cb 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2juw h ALA 62 CO -0.01 0.57 -0.93 0.87 0.00 0.00 0.00 179.25 179.75 2juw h LYS 63 N 1.24 0.42 -0.37 0.00 1.57 -1.19 -2.68 116.57 115.56 2juw h LYS 63 Ca 0.33 -0.44 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 2juw h LYS 63 Cb -0.13 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2juw h LYS 63 CO -0.07 1.10 -0.14 0.00 -0.57 0.00 0.00 179.45 179.77 2juw h ALA 64 N 0.75 1.06 -0.04 3.86 0.00 -0.51 -1.65 119.26 122.73 2juw h ALA 64 Ca -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2juw h ALA 64 Cb 1.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2juw h ALA 64 CO 0.16 0.57 -0.00 1.25 0.00 0.00 0.00 179.25 181.23 2juw h LEU 65 N 0.60 -0.02 -0.92 0.00 5.85 -0.55 0.43 115.31 120.70 2juw h LEU 65 Ca 0.10 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2juw h LEU 65 Cb 0.59 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 2juw h LEU 65 CO 0.04 -0.00 0.41 0.00 -0.34 0.00 0.00 178.44 178.54 2juw h ALA 66 N 1.04 1.16 -0.03 1.25 0.00 -1.33 -1.97 119.26 119.38 2juw h ALA 66 Ca 0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2juw h ALA 66 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2juw h ALA 66 CO -0.03 0.64 -0.36 0.37 0.00 0.00 0.00 179.25 179.87 2juw h GLN 67 N 1.17 0.06 -0.37 0.00 4.15 -0.93 -1.21 115.11 117.97 2juw h GLN 67 Ca 0.29 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.60 2juw h GLN 67 Cb 0.10 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2juw h GLN 67 CO -0.04 0.41 -0.13 0.77 -1.93 0.00 0.00 178.83 177.92 2juw h SER 68 N 0.05 0.65 0.56 -0.69 0.02 -0.19 -2.38 113.55 111.58 2juw h SER 68 Ca 0.00 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.65 2juw h SER 68 Cb 0.66 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2juw h SER 68 CO 0.05 0.81 -0.56 0.58 -1.14 0.00 0.00 176.83 176.57 2juw h VAL 69 N 0.60 1.40 0.00 2.27 2.07 -0.83 -3.02 116.25 118.74 2juw h VAL 69 Ca 0.10 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2juw h VAL 69 Cb 0.57 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2juw h VAL 69 CO 0.04 0.55 0.00 0.29 0.02 0.00 0.00 177.57 178.46 2juw n LYS 70 N -3.87 0.06 0.21 1.57 4.76 -0.53 -2.26 118.16 118.11 2juw n LYS 70 Ca -0.01 0.27 0.07 0.00 -2.87 0.00 0.00 58.31 55.77 2juw n LYS 70 Cb 0.56 -1.50 0.59 0.00 -1.84 0.00 0.00 35.03 32.84 2juw n LYS 70 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2juw h SER 71 N 0.00 0.08 0.01 4.39 0.02 -1.56 0.54 113.55 117.03 2juw h SER 71 Ca 0.00 -0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.71 2juw h SER 71 Cb 0.12 -0.02 0.02 0.00 0.14 0.00 0.00 62.40 62.66 2juw h SER 71 CO 0.00 0.08 -0.91 0.78 -1.14 0.00 0.00 176.83 175.64 2juw h ASN 72 N 0.10 0.79 0.50 3.07 2.35 -1.71 -3.34 115.58 117.33 2juw h ASN 72 Ca 0.03 -0.75 -0.02 0.00 -0.55 0.00 0.00 56.30 55.00 2juw h ASN 72 Cb 0.03 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.16 2juw h ASN 72 CO -0.00 1.44 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.91 2juw h LEU 73 N 0.22 -0.57 -7.81 1.61 4.07 -1.60 -3.39 115.31 107.84 2juw h LEU 73 Ca -0.12 0.02 -0.78 0.00 0.08 0.00 0.00 57.88 57.08 2juw h LEU 73 Cb 1.59 0.15 -0.25 0.00 1.08 0.00 0.00 40.66 43.22 2juw h LEU 73 CO 0.18 -0.16 0.23 -1.61 -1.08 0.00 0.00 178.44 176.00 2juw s GLU 74 N -3.73 3.68 -0.16 1.13 8.01 0.14 -4.77 118.70 123.01 2juw s GLU 74 Ca -0.10 -2.48 0.16 0.00 0.01 0.00 0.00 54.97 52.56 2juw s GLU 74 Cb 0.01 -4.50 0.65 0.00 -4.31 0.00 0.00 34.13 25.98 2juw s GLU 74 CO 0.29 -1.34 1.57 -2.39 0.01 0.00 0.00 175.26 173.40 2juw n HIS 75 N 4.11 1.40 0.00 1.61 1.44 -1.25 -4.63 115.22 117.89 2juw n HIS 75 Ca 0.16 -0.71 0.00 0.00 -2.01 0.00 0.00 57.72 55.16 2juw n HIS 75 Cb 0.46 -0.32 0.00 0.00 0.12 0.00 0.00 29.99 30.25 2juw n HIS 75 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2juw n HIS 76 N 0.45 0.00 0.00 -1.40 -0.00 -1.26 -4.85 115.22 108.16 2juw n HIS 76 Ca 0.24 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.42 2juw n HIS 76 Cb 0.93 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.80 2juw n HIS 76 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2juw n HIS 77 N 0.00 0.00 0.00 1.57 -0.00 -1.26 -3.87 115.22 111.67 2juw n HIS 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2juw n HIS 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2juw n HIS 77 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2juw n HIS 78 N 0.00 -0.95 0.00 1.57 -0.00 -1.26 -5.07 115.22 109.51 2juw n HIS 78 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2juw n HIS 78 Cb 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 2juw n HIS 78 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2juw n HIS 79 N -2.22 0.00 0.88 1.57 -0.00 -1.25 -5.27 115.22 108.93 2juw n HIS 79 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.83 2juw n HIS 79 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.08 2juw n HIS 79 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92