#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 2.68 -1.33 3.17 0.00 -1.26 -4.95 120.51 118.81 2juw n ALA 2 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2juw n ALA 2 Cb 0.00 0.38 0.20 0.00 0.00 0.00 0.00 19.45 20.03 2juw n ALA 2 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2juw n ILE 3 N -2.68 0.00 -4.13 0.00 -6.64 -1.26 -4.82 119.36 99.83 2juw n ILE 3 Ca 0.00 -0.58 -0.26 0.00 -1.77 0.00 0.00 62.75 60.15 2juw n ILE 3 Cb 0.38 -1.34 -0.06 0.00 -1.44 0.00 0.00 39.64 37.17 2juw n ILE 3 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 2juw s GLN 4 N -5.29 2.74 0.00 6.28 -0.21 -1.26 -4.42 119.66 117.49 2juw s GLN 4 Ca 0.63 -0.98 0.00 0.00 0.02 0.00 0.00 55.36 55.03 2juw s GLN 4 Cb -0.04 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.43 2juw s GLN 4 CO 0.47 0.46 0.00 0.45 -2.12 0.00 0.00 175.29 174.55 2juw n SER 5 N -0.39 0.00 -4.55 5.90 2.88 -1.26 -4.99 113.62 111.21 2juw n SER 5 Ca -0.09 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.04 2juw n SER 5 Cb 0.55 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 2juw n SER 5 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2juw s LYS 6 N 0.14 3.58 2.27 -1.46 -2.85 -1.26 -4.86 119.74 115.30 2juw s LYS 6 Ca 0.00 -1.16 0.00 0.00 -1.00 0.00 0.00 55.97 53.81 2juw s LYS 6 Cb 0.00 -5.27 0.00 0.00 -2.06 0.00 0.00 37.83 30.50 2juw s LYS 6 CO 0.00 -2.16 0.00 0.66 0.10 0.00 0.00 175.35 173.95 2juw n TYR 7 N 8.65 -0.78 -3.90 1.78 4.01 -1.26 -4.67 117.16 120.99 2juw n TYR 7 Ca 0.31 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.70 2juw n TYR 7 Cb 0.51 0.12 -0.10 0.00 -0.31 0.00 0.00 39.34 39.56 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 -4.00 5.73 0.41 7.72 0.15 -1.26 -4.64 113.70 117.81 2juw s SER 8 Ca 0.00 0.08 0.10 0.00 0.70 0.00 0.00 55.95 56.83 2juw s SER 8 Cb 0.00 -2.00 0.86 0.00 -1.71 0.00 0.00 66.02 63.17 2juw s SER 8 CO 0.00 0.14 1.96 0.78 1.20 0.00 0.00 173.24 177.33 2juw h ASN 9 N 6.93 0.23 -0.38 5.45 2.35 -1.83 -1.13 115.58 127.20 2juw h ASN 9 Ca -0.38 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.23 2juw h ASN 9 Cb 1.17 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 2juw h ASN 9 CO 0.69 0.33 -0.16 0.74 -1.65 0.00 0.00 177.43 177.38 2juw h THR 10 N 0.24 1.27 0.34 2.81 2.02 -1.90 -1.99 112.91 115.70 2juw h THR 10 Ca 0.05 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 2juw h THR 10 Cb 0.27 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2juw h THR 10 CO 0.01 0.43 -0.16 -0.61 0.37 0.00 0.00 175.52 175.56 2juw h GLN 11 N 0.76 -0.44 -0.24 6.66 5.75 -1.64 -0.54 115.11 125.41 2juw h GLN 11 Ca 0.12 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.68 2juw h GLN 11 Cb 0.68 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 2juw h GLN 11 CO 0.05 -0.28 0.03 0.28 -2.65 0.00 0.00 178.83 176.27 2juw h VAL 12 N -0.49 0.88 -0.53 2.39 2.07 -1.29 0.20 116.25 119.47 2juw h VAL 12 Ca -0.05 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2juw h VAL 12 Cb 0.37 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2juw h VAL 12 CO 0.08 0.02 0.28 -0.08 0.02 0.00 0.00 177.57 177.89 2juw h GLU 13 N 0.12 0.52 -0.64 1.57 4.57 -1.29 0.59 114.58 120.03 2juw h GLU 13 Ca 0.11 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 2juw h GLU 13 Cb 0.12 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 2juw h GLU 13 CO -0.16 0.35 0.07 0.77 -1.18 0.00 0.00 179.01 178.86 2juw h SER 14 N 0.54 1.04 -0.25 1.04 0.02 -0.52 -1.04 113.55 114.38 2juw h SER 14 Ca 0.23 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2juw h SER 14 Cb 0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2juw h SER 14 CO -0.15 1.05 0.13 0.25 -1.14 0.00 0.00 176.83 176.97 2juw h LEU 15 N 1.00 0.33 -0.24 5.07 5.85 -0.02 -0.88 115.31 126.41 2juw h LEU 15 Ca 0.19 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.85 2juw h LEU 15 Cb 0.47 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2juw h LEU 15 CO 0.02 0.34 -0.05 0.40 -0.34 0.00 0.00 178.44 178.82 2juw h ILE 16 N 0.28 0.77 -0.78 4.05 1.08 -0.64 -1.75 117.51 120.52 2juw h ILE 16 Ca 0.09 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.57 2juw h ILE 16 Cb 0.10 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 34.56 2juw h ILE 16 CO -0.01 0.00 0.50 0.00 -0.69 0.00 0.00 178.15 177.95 2juw h ALA 17 N 1.24 1.01 -0.57 1.87 0.00 -0.97 -1.56 119.26 120.28 2juw h ALA 17 Ca 0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2juw h ALA 17 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2juw h ALA 17 CO -0.24 0.34 -0.01 1.49 0.00 0.00 0.00 179.25 180.83 2juw h GLU 18 N 1.00 1.01 -0.65 0.00 4.81 -0.69 0.48 114.58 120.55 2juw h GLU 18 Ca 0.30 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2juw h GLU 18 Cb -0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2juw h GLU 18 CO -0.09 1.01 0.29 0.82 -0.73 0.00 0.00 179.01 180.30 2juw h ILE 19 N 0.90 1.23 -0.26 2.32 2.04 -1.01 -2.14 117.51 120.59 2juw h ILE 19 Ca 0.16 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 2juw h ILE 19 Cb 0.56 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2juw h ILE 19 CO 0.03 0.27 -0.15 -0.07 0.00 0.00 0.00 178.15 178.23 2juw h LEU 20 N 0.90 0.42 -1.48 1.44 3.38 -0.87 -1.82 115.31 117.28 2juw h LEU 20 Ca 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2juw h LEU 20 Cb 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2juw h LEU 20 CO -0.02 0.60 0.09 0.58 0.09 0.00 0.00 178.44 179.78 2juw h VAL 21 N 0.40 1.14 0.13 1.22 2.07 -0.30 -0.08 116.25 120.83 2juw h VAL 21 Ca 0.07 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2juw h VAL 21 Cb 0.50 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2juw h VAL 21 CO 0.03 0.17 -0.06 0.58 0.02 0.00 0.00 177.57 178.31 2juw h VAL 22 N 0.43 0.99 -0.70 2.57 2.07 -0.74 0.40 116.25 121.27 2juw h VAL 22 Ca 0.11 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.25 2juw h VAL 22 Cb 0.15 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 2juw h VAL 22 CO -0.01 0.11 0.36 -0.07 0.02 0.00 0.00 177.57 177.99 2juw h LEU 23 N -0.38 0.50 -1.04 2.57 3.38 -1.16 -1.56 115.31 117.61 2juw h LEU 23 Ca -0.02 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2juw h LEU 23 Cb 0.31 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2juw h LEU 23 CO 0.03 0.30 -0.28 -0.08 0.09 0.00 0.00 178.44 178.50 2juw h GLU 24 N 0.64 0.34 -0.42 1.13 4.81 -0.86 -2.57 114.58 117.66 2juw h GLU 24 Ca 0.33 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2juw h GLU 24 Cb 0.30 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2juw h GLU 24 CO -0.24 0.59 0.13 -0.22 -0.73 0.00 0.00 179.01 178.55 2juw h LYS 25 N 0.30 0.60 -0.01 1.92 3.64 0.83 -0.26 116.57 123.60 2juw h LYS 25 Ca 0.04 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2juw h LYS 25 Cb 0.65 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2juw h LYS 25 CO 0.05 0.53 -0.41 0.72 -2.27 0.00 0.00 179.45 178.07 2juw n HIS 26 N -4.34 0.00 -3.05 1.91 8.25 -1.05 -4.99 115.22 111.94 2juw n HIS 26 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 2juw n HIS 26 Cb 0.17 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.88 -1.68 -4.40 -0.41 4.81 -0.11 -5.02 118.16 110.46 2juw n LYS 27 Ca 0.09 1.65 -0.34 0.00 -0.87 0.00 0.00 58.31 58.85 2juw n LYS 27 Cb 0.36 -5.44 -0.13 0.00 0.02 0.00 0.00 35.03 29.83 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 -2.83 2.81 0.97 3.14 0.00 -1.00 -5.04 121.76 119.81 2juw s ALA 28 Ca 0.09 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 2juw s ALA 28 Cb -0.02 -1.48 0.18 0.00 0.00 0.00 0.00 23.12 21.80 2juw s ALA 28 CO 0.77 0.05 1.12 -2.14 0.00 0.00 0.00 175.76 175.56 2juw s PRO 29 N 0.66 0.57 0.31 0.00 0.02 -1.26 -4.58 135.00 130.72 2juw s PRO 29 Ca -0.04 1.37 0.06 0.00 0.02 0.00 0.00 61.00 62.42 2juw s PRO 29 Cb -0.15 -1.69 0.74 0.00 0.02 0.00 0.00 34.50 33.43 2juw s PRO 29 CO 0.02 -2.88 1.80 1.15 -0.33 0.00 0.00 177.00 176.76 2juw h THR 30 N -2.04 0.74 0.09 0.99 2.02 -1.99 0.24 112.91 112.96 2juw h THR 30 Ca -0.48 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 66.46 2juw h THR 30 Cb 1.28 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2juw h THR 30 CO 0.44 0.14 -0.18 -0.78 0.37 0.00 0.00 175.52 175.51 2juw h ASP 31 N 0.77 -0.49 0.37 4.18 3.58 -2.00 0.39 116.42 123.22 2juw h ASP 31 Ca 0.55 0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.93 2juw h ASP 31 Cb 0.86 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 2juw h ASP 31 CO -0.34 -0.25 -0.56 0.25 -2.88 0.00 0.00 179.24 175.46 2juw h LEU 32 N -0.34 0.22 -0.33 2.28 5.85 -1.56 -2.58 115.31 118.85 2juw h LEU 32 Ca 0.03 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2juw h LEU 32 Cb 0.36 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2juw h LEU 32 CO -0.11 0.73 0.10 0.28 -0.34 0.00 0.00 178.44 179.10 2juw h SER 33 N 0.15 0.49 -0.99 1.25 0.02 -0.29 -0.03 113.55 114.16 2juw h SER 33 Ca -0.00 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 60.78 2juw h SER 33 Cb 1.03 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.38 2juw h SER 33 CO 0.08 0.58 0.65 -0.07 -1.14 0.00 0.00 176.83 176.93 2juw h LEU 34 N 0.39 1.07 0.72 5.07 3.38 -0.81 0.14 115.31 125.26 2juw h LEU 34 Ca 0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2juw h LEU 34 Cb 0.26 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2juw h LEU 34 CO -0.00 0.72 -0.35 0.24 0.09 0.00 0.00 178.44 179.15 2juw h MET 35 N 1.23 -0.93 -0.13 1.13 2.86 -1.05 0.68 114.93 118.73 2juw h MET 35 Ca 0.40 0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 58.10 2juw h MET 35 Cb 0.04 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2juw h MET 35 CO -0.13 -0.60 0.06 0.00 1.06 0.00 0.00 176.91 177.30 2juw h ALA 36 N -0.83 0.17 0.00 6.32 0.00 -0.78 -1.37 119.26 122.77 2juw h ALA 36 Ca -0.10 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2juw h ALA 36 Cb 0.76 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2juw h ALA 36 CO 0.16 -0.27 -0.61 1.37 0.00 0.00 0.00 179.25 179.90 2juw h LEU 37 N 0.07 0.00 -0.03 0.00 -0.00 -0.82 -0.77 115.31 113.76 2juw h LEU 37 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2juw h LEU 37 Cb 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2juw h LEU 37 CO -0.00 0.61 0.00 1.23 -0.00 0.00 0.00 178.44 180.28 2juw h GLY 38 N 2.34 0.06 2.00 0.17 0.00 -0.66 -1.56 103.07 105.43 2juw h GLY 38 Ca -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 2juw h GLY 38 CO 0.08 0.04 -0.28 3.43 0.00 0.00 0.00 176.54 179.81 2juw h ASN 39 N -0.23 0.00 0.04 0.19 2.35 -1.21 -2.73 115.58 113.99 2juw h ASN 39 Ca 0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2juw h ASN 39 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2juw h ASN 39 CO 0.00 0.28 -0.02 0.00 -1.65 0.00 0.00 177.43 176.05 2juw h VAL 41 N -0.11 0.38 -0.73 0.00 2.07 -0.99 -0.48 116.25 116.40 2juw h VAL 41 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2juw h VAL 41 Cb 0.09 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 2juw h VAL 41 CO 0.01 0.00 0.27 0.74 0.02 0.00 0.00 177.57 178.61 2juw h THR 42 N -0.31 1.25 0.00 2.57 2.02 -1.42 -2.41 112.91 114.62 2juw h THR 42 Ca 0.11 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 2juw h THR 42 Cb 0.48 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2juw h THR 42 CO -0.34 0.33 -0.16 -0.74 0.37 0.00 0.00 175.52 174.97 2juw h HIS 43 N 1.06 0.00 -0.45 3.16 2.76 -0.07 -1.48 115.15 120.13 2juw h HIS 43 Ca 0.24 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.28 2juw h HIS 43 Cb 0.23 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2juw h HIS 43 CO 0.02 0.16 -0.23 -0.07 -1.30 0.00 0.00 177.93 176.51 2juw h LEU 44 N 0.00 0.98 -0.80 0.26 3.38 -0.59 -2.88 115.31 115.66 2juw h LEU 44 Ca -0.00 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 2juw h LEU 44 Cb 0.52 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2juw h LEU 44 CO 0.02 1.17 0.07 -0.07 0.09 0.00 0.00 178.44 179.73 2juw h LEU 45 N 0.79 0.93 -2.15 1.67 3.38 -1.20 -0.10 115.31 118.62 2juw h LEU 45 Ca 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2juw h LEU 45 Cb 0.81 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2juw h LEU 45 CO 0.07 0.95 -0.04 -0.33 0.09 0.00 0.00 178.44 179.18 2juw h GLU 46 N 0.91 0.00 0.00 1.13 4.39 -1.22 -2.04 114.58 117.76 2juw h GLU 46 Ca 0.18 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.55 2juw h GLU 46 Cb 0.43 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 2juw h GLU 46 CO 0.01 0.04 -2.08 2.89 -1.16 0.00 0.00 179.01 178.71 2juw n ARG 47 N -3.27 0.42 0.01 2.33 1.85 -0.99 -4.71 116.66 112.30 2juw n ARG 47 Ca -0.01 0.18 0.12 0.00 -1.00 0.00 0.00 57.85 57.14 2juw n ARG 47 Cb 0.20 -1.20 0.21 0.00 -1.05 0.00 0.00 32.46 30.61 2juw n ARG 47 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2juw n LYS 48 N -3.90 0.04 -4.98 2.89 5.02 -0.09 -4.87 118.16 112.28 2juw n LYS 48 Ca -0.39 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 55.63 2juw n LYS 48 Cb 0.77 -1.52 -0.16 0.00 -0.02 0.00 0.00 35.03 34.09 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 -3.02 1.66 0.59 -0.18 1.01 -0.77 -5.04 120.40 114.65 2juw s VAL 49 Ca 0.10 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2juw s VAL 49 Cb 0.17 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2juw s VAL 49 CO 0.72 0.47 1.30 -2.84 0.00 0.00 0.00 175.10 174.75 2juw s PRO 50 N 0.17 2.93 0.25 2.72 0.02 -1.26 -4.54 135.00 135.29 2juw s PRO 50 Ca -0.09 2.09 -0.03 0.00 0.02 0.00 0.00 61.00 62.99 2juw s PRO 50 Cb -0.14 -2.06 0.45 0.00 0.02 0.00 0.00 34.50 32.76 2juw s PRO 50 CO 0.04 -1.31 1.80 0.77 -0.33 0.00 0.00 177.00 177.98 2juw h SER 51 N 1.07 0.68 -0.43 2.53 0.02 -1.95 0.30 113.55 115.76 2juw h SER 51 Ca -0.51 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 60.53 2juw h SER 51 Cb 1.31 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 2juw h SER 51 CO 0.56 0.37 0.29 -0.33 -1.14 0.00 0.00 176.83 176.57 2juw h GLU 52 N 0.78 0.45 0.00 3.45 3.07 -2.01 -2.64 114.58 117.68 2juw h GLU 52 Ca 0.42 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 59.15 2juw h GLU 52 Cb 0.44 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 2juw h GLU 52 CO -0.27 0.30 -1.52 0.43 -1.40 0.00 0.00 179.01 176.55 2juw n SER 53 N -4.48 0.59 -0.13 1.42 7.64 -0.08 -4.28 113.62 114.30 2juw n SER 53 Ca 0.05 0.25 -0.04 0.00 1.01 0.00 0.00 58.87 60.13 2juw n SER 53 Cb 0.15 0.71 0.04 0.00 -1.01 0.00 0.00 64.21 64.11 2juw n SER 53 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2juw h ARG 54 N 0.00 0.22 -0.79 1.43 3.08 -0.69 -2.00 114.38 115.62 2juw h ARG 54 Ca -0.12 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2juw h ARG 54 Cb 1.36 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.32 2juw h ARG 54 CO 0.02 0.14 0.40 0.37 -1.07 0.00 0.00 179.97 179.83 2juw h GLN 55 N 0.22 1.13 -0.31 0.04 4.15 -1.74 0.25 115.11 118.85 2juw h GLN 55 Ca 0.21 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2juw h GLN 55 Cb 0.27 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2juw h GLN 55 CO -0.28 0.86 0.20 0.00 -1.93 0.00 0.00 178.83 177.69 2juw h ALA 56 N 1.21 0.39 -0.69 3.38 0.00 -1.62 -1.77 119.26 120.16 2juw h ALA 56 Ca 0.27 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2juw h ALA 56 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2juw h ALA 56 CO -0.04 -0.14 0.13 0.28 0.00 0.00 0.00 179.25 179.49 2juw h VAL 57 N 0.42 1.26 -0.06 0.00 2.07 -0.94 -2.65 116.25 116.34 2juw h VAL 57 Ca 0.11 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.63 2juw h VAL 57 Cb -0.04 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2juw h VAL 57 CO -0.02 0.39 -0.03 0.00 0.02 0.00 0.00 177.57 177.92 2juw h ALA 58 N 1.07 0.02 -0.71 1.67 0.00 -0.59 0.40 119.26 121.12 2juw h ALA 58 Ca 0.21 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2juw h ALA 58 Cb 0.42 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2juw h ALA 58 CO 0.01 -0.51 0.44 0.93 0.00 0.00 0.00 179.25 180.12 2juw h GLU 59 N -0.03 0.83 -0.12 0.00 4.39 -1.24 0.17 114.58 118.57 2juw h GLU 59 Ca 0.04 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.45 2juw h GLU 59 Cb 0.09 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2juw h GLU 59 CO -0.08 0.55 -0.84 1.96 -1.16 0.00 0.00 179.01 179.44 2juw h GLN 60 N 0.86 0.78 -0.58 2.33 4.20 -1.14 -2.45 115.11 119.11 2juw h GLN 60 Ca 0.29 -0.68 -0.03 0.00 0.06 0.00 0.00 58.65 58.29 2juw h GLN 60 Cb 0.04 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2juw h GLN 60 CO -0.12 1.28 0.23 0.35 -0.67 0.00 0.00 178.83 179.90 2juw h PHE 61 N 0.52 0.88 -0.67 2.96 3.04 0.05 0.99 116.94 124.71 2juw h PHE 61 Ca -0.07 -0.07 0.03 0.00 3.98 0.00 0.00 57.97 61.84 2juw h PHE 61 Cb 1.47 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 39.68 2juw h PHE 61 CO 0.09 0.71 0.42 0.00 -2.02 0.00 0.00 178.31 177.51 2juw h ALA 62 N 1.08 0.87 0.19 2.41 0.00 -0.97 0.25 119.26 123.09 2juw h ALA 62 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2juw h ALA 62 Cb 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2juw h ALA 62 CO -0.02 0.20 -0.09 -0.22 0.00 0.00 0.00 179.25 179.12 2juw h LYS 63 N 0.84 -0.25 -0.59 0.00 3.64 -0.96 -2.04 116.57 117.21 2juw h LYS 63 Ca 0.27 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 2juw h LYS 63 Cb -0.00 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2juw h LYS 63 CO -0.10 -0.14 0.26 0.00 -2.27 0.00 0.00 179.45 177.20 2juw h ALA 64 N 0.51 0.76 -0.14 5.00 0.00 -0.45 -1.14 119.26 123.81 2juw h ALA 64 Ca -0.03 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2juw h ALA 64 Cb 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2juw h ALA 64 CO 0.04 0.35 0.04 1.25 0.00 0.00 0.00 179.25 180.93 2juw h LEU 65 N 0.81 0.04 -0.43 0.00 5.85 -0.48 0.14 115.31 121.24 2juw h LEU 65 Ca 0.20 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.94 2juw h LEU 65 Cb 0.16 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2juw h LEU 65 CO -0.02 0.04 0.28 0.00 -0.34 0.00 0.00 178.44 178.40 2juw h ALA 66 N 1.09 0.54 -0.25 1.25 0.00 -1.14 -2.32 119.26 118.44 2juw h ALA 66 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2juw h ALA 66 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2juw h ALA 66 CO -0.07 -0.02 -0.20 1.96 0.00 0.00 0.00 179.25 180.92 2juw h GLN 67 N 0.57 0.44 -0.37 0.00 1.08 -0.90 0.43 115.11 116.35 2juw h GLN 67 Ca 0.16 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 2juw h GLN 67 Cb -0.05 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2juw h GLN 67 CO -0.04 0.63 0.10 1.03 -0.95 0.00 0.00 178.83 179.60 2juw h SER 68 N 0.40 0.49 0.12 1.46 0.87 -0.20 -1.70 113.55 114.99 2juw h SER 68 Ca 0.07 -0.06 -0.31 0.00 -1.23 0.00 0.00 61.79 60.26 2juw h SER 68 Cb 0.58 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2juw h SER 68 CO 0.04 0.49 -1.60 0.58 -0.53 0.00 0.00 176.83 175.80 2juw h VAL 69 N 0.53 0.89 0.00 2.23 2.07 -1.03 -3.38 116.25 117.57 2juw h VAL 69 Ca 0.13 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.27 2juw h VAL 69 Cb 0.18 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2juw h VAL 69 CO -0.01 0.74 -0.00 0.50 0.02 0.00 0.00 177.57 178.82 2juw h LYS 70 N -0.22 0.00 0.00 1.57 3.64 0.02 -1.30 116.57 120.28 2juw h LYS 70 Ca -0.35 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.02 2juw h LYS 70 Cb 1.83 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.65 2juw h LYS 70 CO 0.05 0.00 -0.05 0.66 -2.27 0.00 0.00 179.45 177.85 2juw h SER 71 N 0.00 0.00 0.55 4.20 4.64 -1.49 -1.90 113.55 119.55 2juw h SER 71 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2juw h SER 71 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2juw h SER 71 CO 0.00 0.05 -0.32 -3.20 -0.87 0.00 0.00 176.83 172.50 2juw n ASN 72 N -3.17 0.46 0.00 4.97 5.15 -0.49 -3.54 115.26 118.64 2juw n ASN 72 Ca 0.01 -0.23 0.11 0.00 -0.60 0.00 0.00 54.58 53.87 2juw n ASN 72 Cb 0.34 0.04 0.68 0.00 -0.53 0.00 0.00 39.78 40.31 2juw n ASN 72 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2juw n LEU 73 N -1.32 0.00 0.16 1.20 7.99 -0.71 -3.02 117.00 121.30 2juw n LEU 73 Ca 0.08 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.21 2juw n LEU 73 Cb 0.33 0.00 0.53 0.00 -0.11 0.00 0.00 43.42 44.17 2juw n LEU 73 CO 0.31 0.00 0.88 -0.33 -1.51 0.00 0.00 177.39 176.74 2juw h GLU 74 N 0.00 0.00 -5.72 3.23 4.39 -1.71 -3.39 114.58 111.38 2juw h GLU 74 Ca 0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 2juw h GLU 74 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2juw h GLU 74 CO 0.00 0.00 0.80 -1.58 -1.16 0.00 0.00 179.01 177.07 2juw s HIS 75 N -3.39 1.67 -0.29 4.33 2.46 -1.17 -4.85 115.29 114.06 2juw s HIS 75 Ca 0.03 0.87 -0.24 0.00 0.47 0.00 0.00 55.06 56.19 2juw s HIS 75 Cb 0.09 -3.96 0.14 0.00 -0.13 0.00 0.00 32.58 28.72 2juw s HIS 75 CO 0.41 -1.87 1.10 -3.38 -2.47 0.00 0.00 174.74 168.53 2juw s HIS 76 N 10.55 -0.41 -0.18 3.88 -3.43 -1.26 -5.14 115.29 119.30 2juw s HIS 76 Ca 0.73 0.97 0.00 0.00 -0.80 0.00 0.00 55.06 55.97 2juw s HIS 76 Cb -0.09 0.38 0.02 0.00 -1.43 0.00 0.00 32.58 31.45 2juw s HIS 76 CO 0.06 -0.20 -0.18 -1.58 -2.00 0.00 0.00 174.74 170.84 2juw s HIS 77 N 0.31 2.80 -1.41 0.38 2.46 -1.26 -5.05 115.29 113.52 2juw s HIS 77 Ca 0.03 -1.52 -0.13 0.00 0.47 0.00 0.00 55.06 53.91 2juw s HIS 77 Cb -0.05 -1.94 0.07 0.00 -0.13 0.00 0.00 32.58 30.54 2juw s HIS 77 CO -0.09 -0.76 2.14 1.58 -2.47 0.00 0.00 174.74 175.14 2juw n HIS 78 N 4.60 3.36 -1.53 3.88 -0.00 -1.26 -4.85 115.22 119.42 2juw n HIS 78 Ca -0.21 -2.93 0.00 0.00 0.46 0.00 0.00 57.72 55.05 2juw n HIS 78 Cb 0.50 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 2juw n HIS 78 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2juw n HIS 79 N 5.46 -3.74 1.18 1.57 1.44 -1.26 -5.38 115.22 114.50 2juw n HIS 79 Ca 0.49 2.02 0.13 0.00 -2.01 0.00 0.00 57.72 58.34 2juw n HIS 79 Cb 0.38 -3.11 0.25 0.00 0.12 0.00 0.00 29.99 27.63 2juw n HIS 79 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11