#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 3.00 -0.38 3.04 0.00 -1.26 -5.05 121.76 121.12 2juw s ALA 2 Ca 0.00 -2.07 0.03 0.00 0.00 0.00 0.00 51.96 49.92 2juw s ALA 2 Cb 0.00 -2.21 0.11 0.00 0.00 0.00 0.00 23.12 21.02 2juw s ALA 2 CO 0.00 -1.50 0.11 0.42 0.00 0.00 0.00 175.76 174.79 2juw s ILE 3 N 1.24 2.52 -0.21 0.00 1.01 -1.26 -5.08 121.20 119.42 2juw s ILE 3 Ca 0.01 -2.42 -0.29 0.00 0.00 0.00 0.00 60.65 57.95 2juw s ILE 3 Cb -0.21 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.45 2juw s ILE 3 CO -0.01 -0.64 1.05 0.00 0.00 0.00 0.00 174.94 175.33 2juw s GLN 4 N 0.79 4.28 -0.06 2.79 0.00 -1.26 -5.02 119.66 121.17 2juw s GLN 4 Ca 0.11 1.39 0.04 0.00 -0.00 0.00 0.00 55.36 56.90 2juw s GLN 4 Cb -0.20 -3.64 -0.00 0.00 0.00 0.00 0.00 33.01 29.17 2juw s GLN 4 CO -0.06 -0.60 -0.19 -1.12 0.00 0.00 0.00 175.29 173.32 2juw s SER 5 N 1.24 2.43 0.10 12.60 0.01 -1.26 -5.00 113.70 123.82 2juw s SER 5 Ca 0.45 -0.41 -0.17 0.00 1.31 0.00 0.00 55.95 57.14 2juw s SER 5 Cb -0.16 -0.79 -0.05 0.00 0.21 0.00 0.00 66.02 65.23 2juw s SER 5 CO 0.08 0.16 1.54 0.11 0.41 0.00 0.00 173.24 175.54 2juw h LYS 6 N 6.37 0.57 -4.40 12.44 1.57 -2.08 -3.32 116.57 127.72 2juw h LYS 6 Ca -0.30 -0.18 -0.74 0.00 -1.87 0.00 0.00 60.65 57.55 2juw h LYS 6 Cb 1.19 -0.05 -0.22 0.00 0.08 0.00 0.00 32.23 33.23 2juw h LYS 6 CO 0.47 0.70 0.59 1.52 -0.57 0.00 0.00 179.45 182.17 2juw s TYR 7 N -4.99 3.53 0.90 -1.35 1.13 -1.26 -5.02 117.35 110.29 2juw s TYR 7 Ca -0.13 -1.84 -0.11 0.00 -1.41 0.00 0.00 57.07 53.57 2juw s TYR 7 Cb 0.09 -4.07 0.13 0.00 -1.10 0.00 0.00 41.96 37.01 2juw s TYR 7 CO 0.77 -1.24 1.09 -1.12 -2.51 0.00 0.00 175.55 172.55 2juw s SER 8 N 2.74 3.31 0.49 -0.18 0.01 -1.25 -4.70 113.70 114.12 2juw s SER 8 Ca 0.28 1.70 0.14 0.00 1.31 0.00 0.00 55.95 59.39 2juw s SER 8 Cb -0.07 -2.34 1.15 0.00 0.21 0.00 0.00 66.02 64.96 2juw s SER 8 CO -0.08 -2.77 2.11 -0.55 0.41 0.00 0.00 173.24 172.35 2juw h ASN 9 N -1.64 0.09 -0.53 2.44 7.08 -1.96 0.70 115.58 121.76 2juw h ASN 9 Ca -0.48 -0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 52.70 2juw h ASN 9 Cb 1.27 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 37.47 2juw h ASN 9 CO 0.51 0.10 0.20 0.74 -2.08 0.00 0.00 177.43 176.89 2juw h THR 10 N 0.11 1.22 0.13 6.14 2.02 -1.98 0.36 112.91 120.90 2juw h THR 10 Ca 0.03 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2juw h THR 10 Cb 0.04 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2juw h THR 10 CO -0.00 0.27 -0.06 -0.61 0.37 0.00 0.00 175.52 175.49 2juw h GLN 11 N 0.72 -0.16 0.01 6.66 5.75 -1.28 -0.72 115.11 126.09 2juw h GLN 11 Ca 0.17 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 2juw h GLN 11 Cb 0.23 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 2juw h GLN 11 CO -0.01 -0.01 -0.02 0.28 -2.65 0.00 0.00 178.83 176.42 2juw h VAL 12 N -0.29 0.96 -0.81 2.39 2.07 -0.99 0.37 116.25 119.95 2juw h VAL 12 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2juw h VAL 12 Cb 0.23 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2juw h VAL 12 CO 0.03 0.00 0.41 -0.08 0.02 0.00 0.00 177.57 177.94 2juw h GLU 13 N -0.03 1.14 -0.17 1.57 4.81 -0.90 0.41 114.58 121.42 2juw h GLU 13 Ca 0.00 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 58.96 2juw h GLU 13 Cb 0.04 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2juw h GLU 13 CO -0.01 0.86 -0.42 0.77 -0.73 0.00 0.00 179.01 179.48 2juw h SER 14 N 1.14 0.41 -0.33 1.04 0.02 -0.85 0.13 113.55 115.11 2juw h SER 14 Ca 0.28 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2juw h SER 14 Cb 0.08 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2juw h SER 14 CO -0.04 0.79 0.05 0.25 -1.14 0.00 0.00 176.83 176.74 2juw h LEU 15 N 0.32 0.53 -0.50 5.07 5.85 0.01 -0.07 115.31 126.53 2juw h LEU 15 Ca 0.03 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2juw h LEU 15 Cb 0.87 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2juw h LEU 15 CO 0.07 0.66 0.26 0.40 -0.34 0.00 0.00 178.44 179.50 2juw h ILE 16 N 0.38 1.18 -0.17 4.05 2.04 -0.75 -1.90 117.51 122.34 2juw h ILE 16 Ca 0.10 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2juw h ILE 16 Cb 0.36 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2juw h ILE 16 CO 0.01 0.19 0.02 0.00 0.00 0.00 0.00 178.15 178.37 2juw h ALA 17 N 1.10 1.72 -0.04 1.87 0.00 -0.56 -1.30 119.26 122.05 2juw h ALA 17 Ca 0.17 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 2juw h ALA 17 Cb 0.08 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.80 2juw h ALA 17 CO -0.03 0.22 -0.90 1.49 0.00 0.00 0.00 179.25 180.03 2juw h GLU 18 N 0.24 0.69 0.00 0.00 4.81 -0.41 -1.28 114.58 118.63 2juw h GLU 18 Ca 0.06 -0.68 -0.07 0.00 -0.13 0.00 0.00 59.36 58.53 2juw h GLU 18 Cb 0.13 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2juw h GLU 18 CO 0.00 1.28 -0.34 -0.84 -0.73 0.00 0.00 179.01 178.38 2juw h ILE 19 N 0.37 0.85 -0.50 2.32 3.07 -1.15 -1.47 117.51 121.00 2juw h ILE 19 Ca -0.10 -1.38 -0.10 0.00 1.55 0.00 0.00 64.86 64.83 2juw h ILE 19 Cb 1.56 1.84 -0.02 0.00 -0.27 0.00 0.00 36.82 39.93 2juw h ILE 19 CO 0.18 0.33 -0.09 -0.07 -1.05 0.00 0.00 178.15 177.45 2juw h LEU 20 N 0.00 0.90 -1.10 0.16 3.38 -1.07 -1.40 115.31 116.18 2juw h LEU 20 Ca -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2juw h LEU 20 Cb 0.81 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2juw h LEU 20 CO 0.04 1.01 0.49 0.58 0.09 0.00 0.00 178.44 180.65 2juw h VAL 21 N 0.82 1.23 -0.18 1.22 2.07 -0.38 0.12 116.25 121.15 2juw h VAL 21 Ca 0.14 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2juw h VAL 21 Cb 0.61 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2juw h VAL 21 CO 0.04 0.24 0.11 0.58 0.02 0.00 0.00 177.57 178.55 2juw h VAL 22 N 1.12 1.09 -0.14 2.57 2.07 -0.89 0.40 116.25 122.48 2juw h VAL 22 Ca 0.29 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.60 2juw h VAL 22 Cb -0.04 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2juw h VAL 22 CO -0.05 0.09 0.02 -0.07 0.02 0.00 0.00 177.57 177.57 2juw h LEU 23 N 0.21 0.00 -1.27 2.57 3.38 -0.76 -2.69 115.31 116.74 2juw h LEU 23 Ca 0.07 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2juw h LEU 23 Cb 0.04 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2juw h LEU 23 CO -0.01 0.02 -0.10 -0.08 0.09 0.00 0.00 178.44 178.36 2juw h GLU 24 N 0.08 0.00 -0.83 1.13 4.81 -0.58 -0.04 114.58 119.15 2juw h GLU 24 Ca 0.06 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.45 2juw h GLU 24 Cb 0.05 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 2juw h GLU 24 CO -0.08 0.10 0.55 -0.22 -0.73 0.00 0.00 179.01 178.63 2juw h LYS 25 N 0.00 0.49 -0.10 1.92 3.64 0.15 0.69 116.57 123.35 2juw h LYS 25 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2juw h LYS 25 Cb 0.63 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2juw h LYS 25 CO 0.01 0.32 0.00 -2.39 -2.27 0.00 0.00 179.45 175.13 2juw n HIS 26 N -4.51 0.14 -3.90 1.91 1.44 -1.05 -5.00 115.22 104.23 2juw n HIS 26 Ca 0.16 -0.34 -0.24 0.00 -2.01 0.00 0.00 57.72 55.29 2juw n HIS 26 Cb 0.55 -0.03 -0.08 0.00 0.12 0.00 0.00 29.99 30.56 2juw n HIS 26 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 2juw n LYS 27 N 0.05 -0.95 -1.64 -1.40 2.85 0.23 -4.86 118.16 112.44 2juw n LYS 27 Ca 0.04 0.07 -0.41 0.00 -1.05 0.00 0.00 58.31 56.96 2juw n LYS 27 Cb 0.26 -2.79 0.01 0.00 -0.65 0.00 0.00 35.03 31.86 2juw n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2juw n ALA 28 N -3.75 0.58 -1.06 0.58 0.00 -1.01 -4.98 120.51 110.88 2juw n ALA 28 Ca -0.24 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 2juw n ALA 28 Cb 0.53 -2.15 0.12 0.00 0.00 0.00 0.00 19.45 17.95 2juw n ALA 28 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2juw s PRO 29 N -2.06 1.81 0.19 0.00 0.04 -1.26 -4.74 135.00 128.98 2juw s PRO 29 Ca 0.62 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 2juw s PRO 29 Cb -0.55 -1.84 0.22 0.00 0.04 0.00 0.00 34.50 32.38 2juw s PRO 29 CO 0.57 -2.00 1.73 1.79 0.04 0.00 0.00 177.00 179.13 2juw h THR 30 N -1.39 0.77 -0.29 1.26 1.35 -1.98 0.13 112.91 112.76 2juw h THR 30 Ca -0.43 -0.11 0.06 0.00 -0.55 0.00 0.00 66.41 65.38 2juw h THR 30 Cb 1.24 0.41 -0.06 0.00 -1.73 0.00 0.00 68.15 68.01 2juw h THR 30 CO 0.48 0.06 -0.11 -0.78 -0.25 0.00 0.00 175.52 174.91 2juw h ASP 31 N 0.33 -0.39 0.17 5.36 1.82 -1.99 0.26 116.42 121.97 2juw h ASP 31 Ca 0.27 0.10 -0.15 0.00 -0.39 0.00 0.00 57.03 56.86 2juw h ASP 31 Cb 0.33 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 2juw h ASP 31 CO -0.30 -0.15 -0.56 0.25 -1.61 0.00 0.00 179.24 176.88 2juw h LEU 32 N -0.06 0.46 -0.43 2.28 5.85 -1.79 -2.38 115.31 119.24 2juw h LEU 32 Ca 0.15 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 2juw h LEU 32 Cb 0.29 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2juw h LEU 32 CO -0.33 0.93 0.02 0.28 -0.34 0.00 0.00 178.44 179.00 2juw h SER 33 N 0.32 0.71 -0.68 1.25 0.02 -0.10 -0.55 113.55 114.53 2juw h SER 33 Ca 0.00 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2juw h SER 33 Cb 1.08 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2juw h SER 33 CO 0.10 0.83 0.42 -0.07 -1.14 0.00 0.00 176.83 176.96 2juw h LEU 34 N 0.58 0.83 0.06 5.07 3.38 -0.40 0.19 115.31 125.01 2juw h LEU 34 Ca 0.12 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2juw h LEU 34 Cb 0.45 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2juw h LEU 34 CO 0.02 0.64 -0.03 -0.03 0.09 0.00 0.00 178.44 179.12 2juw h MET 35 N 0.95 -0.08 0.03 1.13 4.05 -1.04 0.86 114.93 120.82 2juw h MET 35 Ca 0.25 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2juw h MET 35 Cb -0.04 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.78 2juw h MET 35 CO -0.05 0.11 -0.01 0.00 0.23 0.00 0.00 176.91 177.19 2juw h ALA 36 N 0.66 -0.03 -0.53 0.39 0.00 -0.65 -1.82 119.26 117.27 2juw h ALA 36 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2juw h ALA 36 Cb 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2juw h ALA 36 CO 0.01 -0.46 0.24 -0.07 0.00 0.00 0.00 179.25 178.98 2juw h LEU 37 N -0.16 0.71 -0.59 0.00 -0.00 -0.68 -1.08 115.31 113.52 2juw h LEU 37 Ca -0.00 -0.15 0.02 0.00 -0.00 0.00 0.00 57.88 57.75 2juw h LEU 37 Cb 0.14 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 2juw h LEU 37 CO 0.01 0.66 0.38 1.23 -0.00 0.00 0.00 178.44 180.71 2juw h GLY 38 N 0.72 0.84 1.96 0.83 0.00 -0.73 0.01 103.07 106.71 2juw h GLY 38 Ca 0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 2juw h GLY 38 CO -0.02 0.26 -0.45 3.43 0.00 0.00 0.00 176.54 179.77 2juw h ASN 39 N 0.76 0.04 0.03 0.19 2.35 -1.14 -2.25 115.58 115.55 2juw h ASN 39 Ca 0.23 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.83 2juw h ASN 39 Cb -0.03 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2juw h ASN 39 CO -0.07 0.49 -0.43 0.00 -1.65 0.00 0.00 177.43 175.76 2juw h VAL 41 N 0.40 0.94 -0.15 0.00 2.07 -0.74 -2.56 116.25 116.21 2juw h VAL 41 Ca 0.03 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2juw h VAL 41 Cb 0.92 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2juw h VAL 41 CO 0.08 0.11 -0.07 0.74 0.02 0.00 0.00 177.57 178.45 2juw h THR 42 N -0.46 1.15 -0.83 2.57 2.02 -1.34 -1.84 112.91 114.18 2juw h THR 42 Ca -0.02 -0.62 0.11 0.00 0.77 0.00 0.00 66.41 66.64 2juw h THR 42 Cb 0.36 1.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.80 2juw h THR 42 CO 0.04 0.20 0.47 -0.74 0.37 0.00 0.00 175.52 175.85 2juw h HIS 43 N 0.23 0.84 -0.04 3.16 6.17 -0.00 0.28 115.15 125.79 2juw h HIS 43 Ca 0.05 0.03 -0.17 0.00 0.71 0.00 0.00 60.37 60.99 2juw h HIS 43 Cb 0.28 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 2juw h HIS 43 CO 0.00 0.32 -0.72 -0.07 0.71 0.00 0.00 177.93 178.17 2juw h LEU 44 N 0.76 0.28 0.15 0.26 3.38 -0.93 -1.86 115.31 117.34 2juw h LEU 44 Ca 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2juw h LEU 44 Cb 0.43 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2juw h LEU 44 CO -0.27 0.91 -0.07 -0.07 0.09 0.00 0.00 178.44 179.02 2juw h LEU 45 N 0.15 -0.17 -0.29 1.67 3.38 -1.06 0.46 115.31 119.46 2juw h LEU 45 Ca -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2juw h LEU 45 Cb 1.28 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2juw h LEU 45 CO 0.11 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.11 2juw n GLU 46 N -5.07 0.09 -0.09 1.13 -0.58 0.01 -2.13 120.64 114.01 2juw n GLU 46 Ca -0.09 0.31 -0.09 0.00 -0.42 0.00 0.00 57.16 56.87 2juw n GLU 46 Cb 0.19 -1.67 -0.03 0.00 -0.57 0.00 0.00 31.44 29.36 2juw n GLU 46 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2juw n ARG 47 N -1.85 0.53 -0.06 3.49 3.00 -0.70 -4.83 116.66 116.24 2juw n ARG 47 Ca 0.03 0.22 -0.19 0.00 -0.00 0.00 0.00 57.85 57.92 2juw n ARG 47 Cb 0.22 -1.44 -0.13 0.00 0.00 0.00 0.00 32.46 31.11 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 -4.46 0.70 -3.17 -0.14 5.02 0.14 -4.92 118.16 111.33 2juw n LYS 48 Ca -0.14 0.20 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 2juw n LYS 48 Cb 0.51 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.54 5.00 0.76 -0.18 1.01 -0.90 -5.04 120.40 118.50 2juw s VAL 49 Ca -0.26 0.86 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 2juw s VAL 49 Cb 0.08 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.58 2juw s VAL 49 CO 0.70 -0.04 1.18 -0.81 0.00 0.00 0.00 175.10 176.13 2juw n PRO 50 N 5.72 0.47 -0.35 2.72 -0.04 -1.26 -4.54 135.00 137.71 2juw n PRO 50 Ca -0.02 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 63.74 2juw n PRO 50 Cb 0.49 -2.42 0.24 0.00 -0.04 0.00 0.00 33.50 31.77 2juw n PRO 50 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2juw h SER 51 N -0.44 0.84 -0.22 3.54 0.02 -1.96 0.50 113.55 115.83 2juw h SER 51 Ca -0.48 0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.39 2juw h SER 51 Cb 1.31 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2juw h SER 51 CO 0.48 0.43 -0.37 1.05 -1.14 0.00 0.00 176.83 177.28 2juw h GLU 52 N 0.91 0.75 0.00 3.45 9.09 -2.02 -2.46 114.58 124.30 2juw h GLU 52 Ca 0.49 -0.37 -0.11 0.00 0.05 0.00 0.00 59.36 59.42 2juw h GLU 52 Cb 0.53 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.62 2juw h GLU 52 CO -0.29 1.00 -0.57 0.77 0.05 0.00 0.00 179.01 179.97 2juw h SER 53 N 0.62 0.00 -0.67 3.06 0.02 -1.69 -3.23 113.55 111.67 2juw h SER 53 Ca 0.06 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 2juw h SER 53 Cb 0.91 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 2juw h SER 53 CO 0.08 0.52 0.44 -0.09 -1.14 0.00 0.00 176.83 176.64 2juw h ARG 54 N 0.00 0.65 -0.01 3.45 2.43 0.44 0.17 114.38 121.51 2juw h ARG 54 Ca -0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2juw h ARG 54 Cb 1.41 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2juw h ARG 54 CO 0.07 0.43 -0.01 1.96 -1.51 0.00 0.00 179.97 180.91 2juw h GLN 55 N 0.67 0.02 -0.44 0.20 4.20 -1.52 -2.64 115.11 115.61 2juw h GLN 55 Ca 0.29 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2juw h GLN 55 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2juw h GLN 55 CO -0.09 0.52 0.29 0.00 -0.67 0.00 0.00 178.83 178.88 2juw h ALA 56 N 0.50 0.56 -0.76 3.87 0.00 -1.37 -1.47 119.26 120.59 2juw h ALA 56 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2juw h ALA 56 Cb 0.52 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2juw h ALA 56 CO 0.00 0.01 0.28 0.28 0.00 0.00 0.00 179.25 179.82 2juw h VAL 57 N 0.59 1.26 -0.65 0.00 2.07 -0.80 -1.62 116.25 117.11 2juw h VAL 57 Ca 0.16 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2juw h VAL 57 Cb -0.07 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 2juw h VAL 57 CO -0.03 0.34 0.34 0.00 0.02 0.00 0.00 177.57 178.23 2juw h ALA 58 N 1.19 0.83 -0.30 1.67 0.00 -1.03 0.12 119.26 121.74 2juw h ALA 58 Ca 0.25 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2juw h ALA 58 Cb 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2juw h ALA 58 CO -0.02 0.37 -0.31 0.93 0.00 0.00 0.00 179.25 180.23 2juw h GLU 59 N 0.89 0.74 -0.09 0.00 5.08 -1.01 -1.73 114.58 118.46 2juw h GLU 59 Ca 0.23 -0.39 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 2juw h GLU 59 Cb 0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2juw h GLU 59 CO -0.03 1.02 -0.60 -0.56 -1.00 0.00 0.00 179.01 177.83 2juw h GLN 60 N 0.50 0.31 -0.67 2.33 3.07 -1.16 -1.47 115.11 118.02 2juw h GLN 60 Ca 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 58.65 58.54 2juw h GLN 60 Cb 0.88 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.44 2juw h GLN 60 CO 0.08 0.82 0.26 0.35 0.09 0.00 0.00 178.83 180.42 2juw h PHE 61 N 0.23 1.01 -0.18 0.06 3.57 -0.69 0.70 116.94 121.65 2juw h PHE 61 Ca -0.01 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 2juw h PHE 61 Cb 1.11 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2juw h PHE 61 CO 0.03 0.78 -0.07 0.00 -2.23 0.00 0.00 178.31 176.81 2juw h ALA 62 N 1.31 0.26 -0.87 2.41 0.00 -0.98 -1.52 119.26 119.86 2juw h ALA 62 Ca 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2juw h ALA 62 Cb 0.20 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2juw h ALA 62 CO -0.02 0.06 0.44 0.87 0.00 0.00 0.00 179.25 180.60 2juw h LYS 63 N 0.07 1.24 0.27 0.00 1.57 -1.07 0.15 116.57 118.81 2juw h LYS 63 Ca 0.04 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2juw h LYS 63 Cb 0.54 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2juw h LYS 63 CO 0.02 0.94 -0.13 0.00 -0.57 0.00 0.00 179.45 179.71 2juw h ALA 64 N 1.24 -0.36 -0.21 3.86 0.00 -0.73 -0.35 119.26 122.71 2juw h ALA 64 Ca 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2juw h ALA 64 Cb 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2juw h ALA 64 CO -0.04 -0.70 0.12 -0.07 0.00 0.00 0.00 179.25 178.56 2juw h LEU 65 N -0.36 0.26 -0.73 0.00 4.07 -1.08 -1.27 115.31 116.20 2juw h LEU 65 Ca -0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 2juw h LEU 65 Cb 0.28 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 2juw h LEU 65 CO 0.06 0.26 0.37 0.00 -1.08 0.00 0.00 178.44 178.05 2juw h ALA 66 N 1.01 0.93 0.00 1.53 0.00 -0.89 -2.38 119.26 119.46 2juw h ALA 66 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2juw h ALA 66 Cb 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2juw h ALA 66 CO -0.01 0.48 0.00 1.96 0.00 0.00 0.00 179.25 181.67 2juw h GLN 67 N 1.01 0.00 -0.34 0.00 4.20 -0.94 -0.60 115.11 118.43 2juw h GLN 67 Ca 0.25 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.82 2juw h GLN 67 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2juw h GLN 67 CO -0.04 0.00 -0.35 0.77 -0.67 0.00 0.00 178.83 178.54 2juw h SER 68 N 0.00 0.91 -0.26 1.46 0.02 -0.74 -0.85 113.55 114.08 2juw h SER 68 Ca 0.00 -0.47 -0.15 0.00 -0.84 0.00 0.00 61.79 60.33 2juw h SER 68 Cb 0.88 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2juw h SER 68 CO 0.00 1.19 -0.38 0.58 -1.14 0.00 0.00 176.83 177.09 2juw h VAL 69 N 0.64 1.28 0.00 2.27 2.07 -1.26 -2.71 116.25 118.54 2juw h VAL 69 Ca 0.05 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2juw h VAL 69 Cb 0.94 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2juw h VAL 69 CO 0.09 0.51 0.00 1.17 0.02 0.00 0.00 177.57 179.35 2juw n LYS 70 N -4.05 0.01 0.06 1.57 4.81 -0.25 -2.81 118.16 117.49 2juw n LYS 70 Ca -0.02 0.21 -0.22 0.00 -0.87 0.00 0.00 58.31 57.41 2juw n LYS 70 Cb 0.53 -1.51 -0.15 0.00 0.02 0.00 0.00 35.03 33.92 2juw n LYS 70 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2juw h SER 71 N 0.00 0.55 1.22 3.14 0.87 -0.81 -3.30 113.55 115.22 2juw h SER 71 Ca 0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2juw h SER 71 Cb 0.30 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2juw h SER 71 CO 0.00 1.63 0.00 -0.46 -0.53 0.00 0.00 176.83 177.47 2juw n ASN 72 N -3.85 0.63 0.38 6.23 6.94 -1.12 -3.06 115.26 121.40 2juw n ASN 72 Ca -0.21 0.58 -0.16 0.00 -0.02 0.00 0.00 54.58 54.77 2juw n ASN 72 Cb 0.96 -0.74 -0.08 0.00 -2.36 0.00 0.00 39.78 37.56 2juw n ASN 72 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2juw h LEU 73 N 0.00 -0.83 0.00 -4.53 3.38 -1.63 -3.45 115.31 108.25 2juw h LEU 73 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2juw h LEU 73 Cb 0.61 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2juw h LEU 73 CO 0.00 -0.48 0.00 1.21 0.09 0.00 0.00 178.44 179.26 2juw n GLU 74 N -5.45 0.00 -3.52 1.13 2.13 -1.17 -4.79 120.64 108.97 2juw n GLU 74 Ca -0.13 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.44 2juw n GLU 74 Cb 0.40 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.12 2juw n GLU 74 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2juw n HIS 75 N 0.00 -1.92 -0.48 4.31 1.44 -1.26 -1.03 115.22 116.27 2juw n HIS 75 Ca 0.00 0.80 0.00 0.00 -2.01 0.00 0.00 57.72 56.51 2juw n HIS 75 Cb 0.00 -2.15 0.00 0.00 0.12 0.00 0.00 29.99 27.96 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 -1.77 0.00 -2.40 -1.40 -0.00 -1.26 -3.66 115.22 104.74 2juw n HIS 76 Ca -0.23 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.75 2juw n HIS 76 Cb 0.61 -0.48 -0.01 0.00 -0.12 0.00 0.00 29.99 29.99 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 -2.00 -1.05 0.00 1.57 -0.00 -0.20 -4.78 115.22 108.76 2juw n HIS 77 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2juw n HIS 77 Cb 0.00 -3.79 0.00 0.00 -0.12 0.00 0.00 29.99 26.08 2juw n HIS 77 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2juw n HIS 78 N -3.90 0.00 0.00 1.57 8.25 -1.24 -5.07 115.22 114.84 2juw n HIS 78 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 2juw n HIS 78 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 2juw n HIS 78 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2juw n HIS 79 N -0.33 0.00 0.18 4.41 -0.00 -1.26 -5.13 115.22 113.09 2juw n HIS 79 Ca 0.00 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.20 2juw n HIS 79 Cb 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 29.89 2juw n HIS 79 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38