#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 2.27 -2.34 3.04 0.00 -1.26 -4.76 121.76 118.71 2juw s ALA 2 Ca 0.00 -1.52 0.21 0.00 0.00 0.00 0.00 51.96 50.65 2juw s ALA 2 Cb 0.00 -4.44 0.65 0.00 0.00 0.00 0.00 23.12 19.33 2juw s ALA 2 CO 0.00 -4.00 1.50 0.44 0.00 0.00 0.00 175.76 173.70 2juw n ILE 3 N 7.18 0.28 -2.22 0.00 -5.35 -1.26 -4.94 119.36 113.05 2juw n ILE 3 Ca 0.27 -0.45 -0.26 0.00 -0.27 0.00 0.00 62.75 62.04 2juw n ILE 3 Cb 0.50 0.54 0.11 0.00 -1.74 0.00 0.00 39.64 39.05 2juw n ILE 3 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2juw s GLN 4 N -1.72 1.59 0.00 6.28 -1.52 -1.26 -5.11 119.66 117.91 2juw s GLN 4 Ca 0.33 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 53.23 2juw s GLN 4 Cb 0.19 -2.11 0.00 0.00 -0.22 0.00 0.00 33.01 30.87 2juw s GLN 4 CO 0.27 -1.65 0.00 -1.13 -0.25 0.00 0.00 175.29 172.53 2juw n SER 5 N -3.16 0.70 -0.28 5.90 3.41 -1.26 -5.02 113.62 113.91 2juw n SER 5 Ca 0.12 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.69 2juw n SER 5 Cb 0.60 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.63 2juw n SER 5 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2juw h LYS 6 N 0.00 0.96 -4.62 4.33 2.10 -2.03 -3.44 116.57 113.87 2juw h LYS 6 Ca 0.00 -0.06 -0.22 0.00 -2.00 0.00 0.00 60.65 58.38 2juw h LYS 6 Cb 0.00 -0.22 -0.15 0.00 -0.90 0.00 0.00 32.23 30.96 2juw h LYS 6 CO 0.00 0.64 -0.69 0.71 -2.00 0.00 0.00 179.45 178.10 2juw s TYR 7 N -6.12 0.87 0.11 0.07 2.02 -1.26 -5.14 117.35 107.90 2juw s TYR 7 Ca -0.13 -0.94 -0.25 0.00 -0.37 0.00 0.00 57.07 55.39 2juw s TYR 7 Cb 0.15 -0.51 -0.07 0.00 -0.40 0.00 0.00 41.96 41.14 2juw s TYR 7 CO 0.78 -0.18 0.76 0.45 -1.57 0.00 0.00 175.55 175.79 2juw s SER 8 N -3.04 7.30 0.06 2.29 0.15 -1.26 -4.99 113.70 114.22 2juw s SER 8 Ca 0.12 1.55 -0.24 0.00 0.70 0.00 0.00 55.95 58.08 2juw s SER 8 Cb 0.06 -2.48 -0.16 0.00 -1.71 0.00 0.00 66.02 61.72 2juw s SER 8 CO -0.05 0.14 1.62 0.78 1.20 0.00 0.00 173.24 176.93 2juw h ASN 9 N 4.85 -0.05 0.64 5.45 4.21 -2.00 -2.30 115.58 126.39 2juw h ASN 9 Ca -0.46 -0.11 -0.02 0.00 1.21 0.00 0.00 56.30 56.93 2juw h ASN 9 Cb 1.21 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2juw h ASN 9 CO 0.68 0.08 -0.08 0.00 -1.29 0.00 0.00 177.43 176.81 2juw h THR 10 N -0.17 0.27 0.49 2.81 1.03 -1.98 -0.85 112.91 114.53 2juw h THR 10 Ca -0.01 -0.55 -0.02 0.00 -0.01 0.00 0.00 66.41 65.82 2juw h THR 10 Cb 0.15 1.43 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 2juw h THR 10 CO 0.01 0.08 -0.24 -0.61 -0.01 0.00 0.00 175.52 174.75 2juw h GLN 11 N 0.00 -0.64 -0.90 0.00 4.15 -1.83 0.86 115.11 116.75 2juw h GLN 11 Ca -0.00 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.48 2juw h GLN 11 Cb 0.42 0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.21 2juw h GLN 11 CO 0.01 -0.33 0.59 0.28 -1.93 0.00 0.00 178.83 177.45 2juw h VAL 12 N -0.96 1.20 -0.35 2.39 2.07 -1.26 -1.61 116.25 117.72 2juw h VAL 12 Ca -0.07 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.11 2juw h VAL 12 Cb 0.60 -0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 2juw h VAL 12 CO 0.11 0.22 -0.03 -0.08 0.02 0.00 0.00 177.57 177.81 2juw h GLU 13 N 1.18 0.06 -0.78 1.57 4.81 -1.05 -0.98 114.58 119.40 2juw h GLU 13 Ca 0.34 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 2juw h GLU 13 Cb -0.09 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 2juw h GLU 13 CO -0.08 0.04 0.41 0.77 -0.73 0.00 0.00 179.01 179.42 2juw h SER 14 N 0.06 0.98 0.62 1.04 0.02 0.11 0.15 113.55 116.54 2juw h SER 14 Ca 0.17 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2juw h SER 14 Cb 0.25 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.54 2juw h SER 14 CO -0.31 0.81 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.81 2juw h LEU 15 N 1.10 -0.70 -0.76 5.07 4.07 -0.87 -2.19 115.31 121.02 2juw h LEU 15 Ca 0.27 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.29 2juw h LEU 15 Cb 0.06 0.18 -0.06 0.00 1.08 0.00 0.00 40.66 41.92 2juw h LEU 15 CO -0.04 -0.43 0.44 0.40 -1.08 0.00 0.00 178.44 177.73 2juw h ILE 16 N -0.95 0.96 -0.36 1.22 2.04 -0.93 -1.74 117.51 117.75 2juw h ILE 16 Ca -0.08 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2juw h ILE 16 Cb 0.67 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2juw h ILE 16 CO 0.14 0.14 0.19 0.00 0.00 0.00 0.00 178.15 178.62 2juw h ALA 17 N 1.40 0.45 -0.02 1.87 0.00 -0.64 -1.01 119.26 121.30 2juw h ALA 17 Ca 0.35 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 2juw h ALA 17 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2juw h ALA 17 CO -0.20 -0.18 -0.64 1.49 0.00 0.00 0.00 179.25 179.72 2juw h GLU 18 N 0.38 0.10 -0.77 0.00 4.81 -0.90 -0.34 114.58 117.85 2juw h GLU 18 Ca 0.15 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2juw h GLU 18 Cb 0.05 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2juw h GLU 18 CO -0.10 0.70 0.30 0.82 -0.73 0.00 0.00 179.01 180.01 2juw h ILE 19 N 0.07 1.26 -0.85 2.32 2.04 -0.97 0.58 117.51 121.96 2juw h ILE 19 Ca -0.01 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 2juw h ILE 19 Cb 1.14 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2juw h ILE 19 CO 0.09 0.34 0.41 -0.07 0.00 0.00 0.00 178.15 178.92 2juw h LEU 20 N 1.13 1.11 -1.86 1.44 3.38 -0.71 -1.90 115.31 117.91 2juw h LEU 20 Ca 0.26 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2juw h LEU 20 Cb 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2juw h LEU 20 CO -0.02 0.93 -0.13 0.58 0.09 0.00 0.00 178.44 179.89 2juw h VAL 21 N 1.21 0.81 0.37 1.22 2.07 0.12 0.22 116.25 122.27 2juw h VAL 21 Ca 0.29 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2juw h VAL 21 Cb 0.11 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2juw h VAL 21 CO -0.04 0.13 -0.18 0.58 0.02 0.00 0.00 177.57 178.09 2juw h VAL 22 N 0.00 0.65 -0.50 2.57 2.07 -0.12 0.39 116.25 121.30 2juw h VAL 22 Ca -0.00 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2juw h VAL 22 Cb 0.29 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2juw h VAL 22 CO 0.02 0.03 0.22 -0.07 0.02 0.00 0.00 177.57 177.79 2juw h LEU 23 N -0.58 0.29 -0.84 2.57 3.38 -1.05 -2.55 115.31 116.53 2juw h LEU 23 Ca -0.05 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2juw h LEU 23 Cb 0.43 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2juw h LEU 23 CO 0.08 0.20 0.45 -0.33 0.09 0.00 0.00 178.44 178.94 2juw h GLU 24 N 0.44 1.17 -0.62 1.13 4.39 -0.47 -0.57 114.58 120.05 2juw h GLU 24 Ca 0.23 -0.14 0.08 0.00 0.34 0.00 0.00 59.36 59.86 2juw h GLU 24 Cb 0.19 -0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 28.55 2juw h GLU 24 CO -0.19 0.87 0.29 -0.22 -1.16 0.00 0.00 179.01 178.59 2juw h LYS 25 N 1.17 0.51 0.00 2.33 3.64 0.20 -0.72 116.57 123.70 2juw h LYS 25 Ca 0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2juw h LYS 25 Cb 0.04 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2juw h LYS 25 CO -0.05 0.34 -0.49 0.72 -2.27 0.00 0.00 179.45 177.70 2juw n HIS 26 N -4.90 0.14 -3.25 1.91 8.25 -1.13 -4.98 115.22 111.24 2juw n HIS 26 Ca 0.08 0.04 -0.07 0.00 -0.26 0.00 0.00 57.72 57.51 2juw n HIS 26 Cb 0.22 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 -1.65 -1.41 -3.30 -0.41 4.81 -0.25 -4.96 118.16 110.98 2juw n LYS 27 Ca 0.05 1.31 -0.38 0.00 -0.87 0.00 0.00 58.31 58.42 2juw n LYS 27 Cb 0.36 -4.81 -0.06 0.00 0.02 0.00 0.00 35.03 30.54 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 -2.98 3.50 1.16 3.14 0.00 -1.01 -5.04 121.76 120.52 2juw s ALA 28 Ca 0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.71 2juw s ALA 28 Cb -0.00 -2.65 0.28 0.00 0.00 0.00 0.00 23.12 20.74 2juw s ALA 28 CO 0.79 0.09 1.03 -2.14 0.00 0.00 0.00 175.76 175.53 2juw s PRO 29 N 0.25 -0.84 0.19 0.00 0.02 -1.26 -4.63 135.00 128.73 2juw s PRO 29 Ca 0.27 0.70 -0.12 0.00 0.02 0.00 0.00 61.00 61.87 2juw s PRO 29 Cb -0.16 -1.57 0.19 0.00 0.02 0.00 0.00 34.50 32.98 2juw s PRO 29 CO 0.13 -3.64 1.73 1.15 -0.33 0.00 0.00 177.00 176.04 2juw h THR 30 N -2.55 0.78 0.14 0.99 2.02 -1.99 0.09 112.91 112.39 2juw h THR 30 Ca -0.61 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 2juw h THR 30 Cb 1.34 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2juw h THR 30 CO 0.52 0.06 -0.07 0.44 0.37 0.00 0.00 175.52 176.84 2juw h ASP 31 N 0.31 -0.16 -0.74 4.18 5.19 -1.99 -0.93 116.42 122.27 2juw h ASP 31 Ca 0.25 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 2juw h ASP 31 Cb 0.31 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.82 2juw h ASP 31 CO -0.29 -0.03 0.39 0.25 -3.12 0.00 0.00 179.24 176.45 2juw h LEU 32 N -0.29 0.95 0.28 1.55 5.85 -1.82 -0.41 115.31 121.43 2juw h LEU 32 Ca -0.02 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2juw h LEU 32 Cb 0.23 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2juw h LEU 32 CO 0.03 0.78 -0.14 0.28 -0.34 0.00 0.00 178.44 179.06 2juw h SER 33 N 1.06 -0.32 -0.96 1.25 0.02 -0.82 -1.54 113.55 112.24 2juw h SER 33 Ca 0.27 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2juw h SER 33 Cb 0.06 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 2juw h SER 33 CO -0.04 -0.04 0.62 -0.07 -1.14 0.00 0.00 176.83 176.16 2juw h LEU 34 N -0.62 1.13 -0.34 5.07 3.38 -0.97 0.47 115.31 123.43 2juw h LEU 34 Ca -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2juw h LEU 34 Cb 0.44 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2juw h LEU 34 CO 0.06 0.83 0.14 -0.03 0.09 0.00 0.00 178.44 179.54 2juw h MET 35 N 1.32 0.50 -0.05 1.13 4.05 -1.03 0.70 114.93 121.54 2juw h MET 35 Ca 0.35 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 2juw h MET 35 Cb -0.12 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.60 2juw h MET 35 CO -0.07 0.50 0.01 0.00 0.23 0.00 0.00 176.91 177.58 2juw h ALA 36 N 0.98 0.07 -0.51 0.39 0.00 -0.84 -2.83 119.26 116.53 2juw h ALA 36 Ca 0.11 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2juw h ALA 36 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2juw h ALA 36 CO -0.01 -0.30 0.31 -0.07 0.00 0.00 0.00 179.25 179.18 2juw h LEU 37 N -0.14 0.51 -0.36 0.00 -0.00 -0.82 -2.08 115.31 112.41 2juw h LEU 37 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.94 2juw h LEU 37 Cb 0.25 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.77 2juw h LEU 37 CO 0.00 0.36 0.14 1.23 -0.00 0.00 0.00 178.44 180.17 2juw h GLY 38 N 0.62 0.47 1.72 0.83 0.00 -0.83 -1.95 103.07 103.93 2juw h GLY 38 Ca 0.20 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 2juw h GLY 38 CO -0.09 0.05 -0.19 3.43 0.00 0.00 0.00 176.54 179.74 2juw h ASN 39 N 0.30 0.32 0.18 0.19 2.35 -1.28 -2.15 115.58 115.50 2juw h ASN 39 Ca 0.16 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 2juw h ASN 39 Cb 0.12 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2juw h ASN 39 CO -0.15 0.53 -0.26 0.00 -1.65 0.00 0.00 177.43 175.90 2juw h VAL 41 N 0.13 1.22 -0.52 0.00 2.07 -0.75 -3.16 116.25 115.25 2juw h VAL 41 Ca 0.02 -1.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.19 2juw h VAL 41 Cb 0.54 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2juw h VAL 41 CO 0.04 0.30 -0.07 0.71 0.02 0.00 0.00 177.57 178.56 2juw h THR 42 N -0.68 1.27 0.00 2.57 1.35 -1.39 -2.55 112.91 113.48 2juw h THR 42 Ca -0.01 -1.21 -0.00 0.00 -0.55 0.00 0.00 66.41 64.64 2juw h THR 42 Cb 0.56 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2juw h THR 42 CO 0.02 0.43 -0.00 1.12 -0.25 0.00 0.00 175.52 176.83 2juw h HIS 43 N 0.84 0.00 0.16 4.73 -0.00 -0.89 0.25 115.15 120.24 2juw h HIS 43 Ca 0.14 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.19 2juw h HIS 43 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 2juw h HIS 43 CO 0.05 0.00 -1.62 -0.07 -0.00 0.00 0.00 177.93 176.29 2juw h LEU 44 N 0.00 0.52 0.39 6.12 3.38 -1.43 -3.12 115.31 121.17 2juw h LEU 44 Ca -0.00 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.04 2juw h LEU 44 Cb 0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2juw h LEU 44 CO 0.00 1.72 -0.19 -0.07 0.09 0.00 0.00 178.44 180.00 2juw h LEU 45 N -0.06 -0.44 -2.42 1.67 3.38 -0.70 0.07 115.31 116.81 2juw h LEU 45 Ca -0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2juw h LEU 45 Cb 1.96 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.83 2juw h LEU 45 CO 0.13 -0.30 -0.02 -0.33 0.09 0.00 0.00 178.44 178.01 2juw h GLU 46 N -0.55 0.00 0.09 1.13 3.07 -0.77 -0.68 114.58 116.87 2juw h GLU 46 Ca -0.05 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.44 2juw h GLU 46 Cb 0.42 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.30 2juw h GLU 46 CO 0.09 0.02 -2.06 -2.13 -1.40 0.00 0.00 179.01 173.53 2juw n ARG 47 N -3.22 0.72 -0.09 2.33 3.00 -0.99 -4.68 116.66 113.73 2juw n ARG 47 Ca -0.02 0.26 -0.11 0.00 -0.00 0.00 0.00 57.85 57.98 2juw n ARG 47 Cb 0.15 -1.67 -0.09 0.00 0.00 0.00 0.00 32.46 30.86 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 -3.52 0.70 -4.04 -0.14 4.76 -0.02 -5.00 118.16 110.90 2juw n LYS 48 Ca -0.35 0.08 -0.34 0.00 -2.87 0.00 0.00 58.31 54.83 2juw n LYS 48 Cb 1.01 -1.36 -0.10 0.00 -1.84 0.00 0.00 35.03 32.74 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 -2.36 4.70 0.43 -0.18 1.01 -0.27 -5.07 120.40 118.67 2juw s VAL 49 Ca -0.21 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2juw s VAL 49 Cb 0.06 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 2juw s VAL 49 CO 0.45 0.46 1.22 -2.65 0.00 0.00 0.00 175.10 174.59 2juw n PRO 50 N 3.54 1.78 -0.21 2.72 -0.02 -1.26 -4.52 135.00 137.03 2juw n PRO 50 Ca -0.17 0.64 0.20 0.00 -2.02 0.00 0.00 63.50 62.15 2juw n PRO 50 Cb 0.52 -2.33 0.55 0.00 -0.02 0.00 0.00 33.50 32.22 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 1.90 0.33 -0.09 2.55 0.02 -1.96 0.47 113.55 116.77 2juw h SER 51 Ca -0.47 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.44 2juw h SER 51 Cb 1.30 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2juw h SER 51 CO 0.59 0.14 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.87 2juw h GLU 52 N 0.33 0.30 0.00 3.45 4.39 -2.02 -2.98 114.58 118.06 2juw h GLU 52 Ca 0.44 -0.21 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 2juw h GLU 52 Cb 1.21 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 2juw h GLU 52 CO -0.14 0.82 -0.40 0.77 -1.16 0.00 0.00 179.01 178.89 2juw h SER 53 N -0.17 0.00 -0.57 1.42 0.02 -1.66 -3.04 113.55 109.55 2juw h SER 53 Ca -0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2juw h SER 53 Cb 0.82 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 2juw h SER 53 CO 0.05 0.40 0.38 -0.09 -1.14 0.00 0.00 176.83 176.43 2juw h ARG 54 N 0.00 0.52 -0.47 3.45 2.43 -0.02 -0.50 114.38 119.79 2juw h ARG 54 Ca -0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2juw h ARG 54 Cb 1.02 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 2juw h ARG 54 CO 0.05 0.34 0.16 1.96 -1.51 0.00 0.00 179.97 180.97 2juw h GLN 55 N 0.53 0.72 -0.41 0.20 4.20 -1.40 -1.19 115.11 117.77 2juw h GLN 55 Ca 0.25 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 2juw h GLN 55 Cb 0.29 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2juw h GLN 55 CO -0.07 0.67 -0.12 0.00 -0.67 0.00 0.00 178.83 178.64 2juw h ALA 56 N 1.01 0.56 -0.78 3.87 0.00 -1.32 -1.61 119.26 121.00 2juw h ALA 56 Ca 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2juw h ALA 56 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2juw h ALA 56 CO -0.01 0.46 0.41 0.28 0.00 0.00 0.00 179.25 180.39 2juw h VAL 57 N 0.62 1.24 -0.63 0.00 2.07 -1.05 -0.81 116.25 117.68 2juw h VAL 57 Ca 0.10 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2juw h VAL 57 Cb 0.66 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2juw h VAL 57 CO 0.05 0.27 0.32 0.00 0.02 0.00 0.00 177.57 178.22 2juw h ALA 58 N 1.21 0.81 -0.24 1.67 0.00 -1.03 0.38 119.26 122.07 2juw h ALA 58 Ca 0.27 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2juw h ALA 58 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2juw h ALA 58 CO -0.04 0.36 0.08 1.49 0.00 0.00 0.00 179.25 181.15 2juw h GLU 59 N 0.87 0.19 -0.09 0.00 4.57 -0.79 0.06 114.58 119.38 2juw h GLU 59 Ca 0.22 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.23 2juw h GLU 59 Cb 0.09 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2juw h GLU 59 CO -0.03 0.13 -0.63 1.96 -1.18 0.00 0.00 179.01 179.25 2juw h GLN 60 N 0.20 0.35 0.10 1.92 4.20 -0.87 -1.84 115.11 119.18 2juw h GLN 60 Ca 0.10 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2juw h GLN 60 Cb 0.07 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2juw h GLN 60 CO -0.10 0.87 -0.05 0.35 -0.67 0.00 0.00 178.83 179.23 2juw h PHE 61 N 0.26 -0.13 -0.15 2.96 3.57 0.00 -0.27 116.94 123.18 2juw h PHE 61 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2juw h PHE 61 Cb 1.17 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 2juw h PHE 61 CO 0.03 0.15 -0.01 0.00 -2.23 0.00 0.00 178.31 176.26 2juw h ALA 62 N 0.45 1.71 -0.31 2.41 0.00 -1.00 0.18 119.26 122.70 2juw h ALA 62 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2juw h ALA 62 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2juw h ALA 62 CO 0.02 0.22 -0.05 -0.22 0.00 0.00 0.00 179.25 179.23 2juw h LYS 63 N 0.21 0.58 -0.38 0.00 3.64 -1.09 -0.15 116.57 119.39 2juw h LYS 63 Ca 0.05 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.10 2juw h LYS 63 Cb 0.16 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2juw h LYS 63 CO 0.00 0.75 -0.26 0.00 -2.27 0.00 0.00 179.45 177.67 2juw h ALA 64 N 0.81 0.83 0.42 5.00 0.00 -0.38 -0.48 119.26 125.45 2juw h ALA 64 Ca 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2juw h ALA 64 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2juw h ALA 64 CO 0.02 0.64 -0.31 1.25 0.00 0.00 0.00 179.25 180.86 2juw h LEU 65 N 0.67 -0.81 -1.13 0.00 5.85 -0.51 -1.06 115.31 118.34 2juw h LEU 65 Ca 0.09 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2juw h LEU 65 Cb 0.78 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2juw h LEU 65 CO 0.06 -0.47 0.33 0.00 -0.34 0.00 0.00 178.44 178.03 2juw h ALA 66 N -0.23 1.32 -0.88 1.25 0.00 -0.98 -2.22 119.26 117.52 2juw h ALA 66 Ca -0.04 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2juw h ALA 66 Cb 0.62 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2juw h ALA 66 CO 0.00 0.53 0.58 0.37 0.00 0.00 0.00 179.25 180.73 2juw h GLN 67 N 0.94 1.11 -0.23 0.00 4.15 -0.80 0.21 115.11 120.50 2juw h GLN 67 Ca 0.23 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.50 2juw h GLN 67 Cb 0.08 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 2juw h GLN 67 CO -0.03 0.74 -0.22 0.77 -1.93 0.00 0.00 178.83 178.16 2juw h SER 68 N 1.15 0.41 -0.35 -0.69 0.02 -0.61 -2.28 113.55 111.20 2juw h SER 68 Ca 0.34 -0.12 -0.16 0.00 -0.84 0.00 0.00 61.79 61.01 2juw h SER 68 Cb -0.05 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 2juw h SER 68 CO -0.10 0.64 -0.39 0.58 -1.14 0.00 0.00 176.83 176.42 2juw h VAL 69 N 0.38 1.28 -0.75 2.27 2.07 -0.84 -3.21 116.25 117.45 2juw h VAL 69 Ca 0.06 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 66.08 2juw h VAL 69 Cb 0.59 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 2juw h VAL 69 CO 0.04 0.52 0.44 0.11 0.02 0.00 0.00 177.57 178.70 2juw h LYS 70 N 0.68 0.78 -0.05 1.57 1.79 -0.17 -1.31 116.57 119.85 2juw h LYS 70 Ca 0.05 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2juw h LYS 70 Cb 0.99 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2juw h LYS 70 CO 0.09 0.52 0.10 1.03 -1.08 0.00 0.00 179.45 180.11 2juw h SER 71 N 0.80 0.00 0.17 0.86 0.87 -1.42 0.25 113.55 115.08 2juw h SER 71 Ca 0.34 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.54 2juw h SER 71 Cb 0.20 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2juw h SER 71 CO -0.18 0.00 -1.87 0.78 -0.53 0.00 0.00 176.83 175.03 2juw h ASN 72 N 0.00 0.51 0.36 6.23 2.35 -1.35 -3.40 115.58 120.28 2juw h ASN 72 Ca 0.03 -0.93 -0.32 0.00 -0.55 0.00 0.00 56.30 54.52 2juw h ASN 72 Cb 0.21 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.43 2juw h ASN 72 CO -0.00 1.81 -1.55 0.25 -1.65 0.00 0.00 177.43 176.29 2juw h LEU 73 N 0.09 0.56 -4.93 1.61 7.12 -0.89 -3.36 115.31 115.50 2juw h LEU 73 Ca -0.38 -0.73 -0.49 0.00 0.13 0.00 0.00 57.88 56.41 2juw h LEU 73 Cb 2.07 -0.18 0.01 0.00 -0.53 0.00 0.00 40.66 42.02 2juw h LEU 73 CO 0.13 1.60 2.70 -0.62 -0.13 0.00 0.00 178.44 182.12 2juw n GLU 74 N -3.56 2.89 -0.42 1.25 -0.58 0.78 -4.44 120.64 116.57 2juw n GLU 74 Ca -0.18 -1.74 0.05 0.00 -0.42 0.00 0.00 57.16 54.87 2juw n GLU 74 Cb 1.07 -2.53 0.22 0.00 -0.57 0.00 0.00 31.44 29.62 2juw n GLU 74 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2juw n HIS 75 N 3.53 0.99 -3.06 -0.32 1.44 -1.26 -4.78 115.22 111.75 2juw n HIS 75 Ca 0.62 -0.37 -0.43 0.00 -2.01 0.00 0.00 57.72 55.53 2juw n HIS 75 Cb 0.32 -0.23 -0.06 0.00 0.12 0.00 0.00 29.99 30.14 2juw n HIS 75 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2juw s HIS 76 N -1.82 3.07 -1.74 -1.40 5.04 -1.26 -4.93 115.29 112.24 2juw s HIS 76 Ca 0.30 0.14 0.21 0.00 -1.54 0.00 0.00 55.06 54.17 2juw s HIS 76 Cb 0.21 -3.39 0.66 0.00 0.04 0.00 0.00 32.58 30.09 2juw s HIS 76 CO 0.12 -0.84 1.55 0.72 -2.34 0.00 0.00 174.74 173.96 2juw n HIS 77 N 6.35 1.12 -3.83 3.88 -0.00 -1.26 -4.91 115.22 116.56 2juw n HIS 77 Ca -0.00 -0.51 -0.09 0.00 -0.00 0.00 0.00 57.72 57.11 2juw n HIS 77 Cb 0.48 -0.08 -0.06 0.00 -0.00 0.00 0.00 29.99 30.33 2juw n HIS 77 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2juw s HIS 78 N -1.29 0.13 -0.23 4.41 3.76 -1.26 -5.07 115.29 115.74 2juw s HIS 78 Ca 0.48 -0.50 -0.16 0.00 -0.15 0.00 0.00 55.06 54.73 2juw s HIS 78 Cb 0.27 0.07 -0.11 0.00 1.11 0.00 0.00 32.58 33.92 2juw s HIS 78 CO 0.30 -0.69 -0.26 1.58 -0.85 0.00 0.00 174.74 174.83 2juw n HIS 79 N -0.19 0.23 -0.43 1.40 -0.00 -1.26 -5.20 115.22 109.78 2juw n HIS 79 Ca -0.12 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2juw n HIS 79 Cb 0.63 -0.86 0.00 0.00 -0.12 0.00 0.00 29.99 29.64 2juw n HIS 79 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38