#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 -2.48 -2.56 3.04 0.00 -1.26 -4.88 120.51 112.38 2juw n ALA 2 Ca 0.00 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 2juw n ALA 2 Cb 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 2juw n ALA 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2juw s ILE 3 N -1.57 4.90 0.00 0.00 -1.09 -1.26 -4.19 121.20 117.99 2juw s ILE 3 Ca 0.00 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 2juw s ILE 3 Cb 0.00 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 2juw s ILE 3 CO 0.00 -0.34 0.00 1.67 -1.23 0.00 0.00 174.94 175.04 2juw n GLN 4 N 6.02 0.00 -3.25 2.79 7.27 -1.26 -3.82 117.38 125.13 2juw n GLN 4 Ca -0.02 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.97 2juw n GLN 4 Cb 0.48 -2.71 0.01 0.00 2.41 0.00 0.00 30.24 30.43 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 0.00 -7.00 -0.09 1.69 7.64 -1.26 -4.92 113.62 109.67 2juw n SER 5 Ca 0.00 -0.36 -0.09 0.00 1.01 0.00 0.00 58.87 59.43 2juw n SER 5 Cb 0.00 -4.54 -0.01 0.00 -1.01 0.00 0.00 64.21 58.65 2juw n SER 5 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2juw h LYS 6 N -0.00 0.42 -2.60 1.43 1.63 -1.95 -3.39 116.57 112.11 2juw h LYS 6 Ca -0.22 -0.03 -0.36 0.00 -0.85 0.00 0.00 60.65 59.19 2juw h LYS 6 Cb 1.13 -0.10 -0.37 0.00 -0.60 0.00 0.00 32.23 32.29 2juw h LYS 6 CO 0.34 0.28 -0.66 1.52 -3.45 0.00 0.00 179.45 177.48 2juw s TYR 7 N -6.17 -0.16 0.77 1.91 1.13 -1.26 -5.15 117.35 108.42 2juw s TYR 7 Ca -0.13 -0.00 -0.11 0.00 -1.41 0.00 0.00 57.07 55.42 2juw s TYR 7 Cb 0.10 -0.47 0.05 0.00 -1.10 0.00 0.00 41.96 40.54 2juw s TYR 7 CO 0.71 -0.63 1.09 0.45 -2.51 0.00 0.00 175.55 174.66 2juw s SER 8 N 2.28 4.78 0.54 -0.18 0.15 -1.26 -4.86 113.70 115.15 2juw s SER 8 Ca 0.06 1.35 0.27 0.00 0.70 0.00 0.00 55.95 58.33 2juw s SER 8 Cb -0.16 -2.12 1.54 0.00 -1.71 0.00 0.00 66.02 63.57 2juw s SER 8 CO -0.15 -1.79 2.13 -0.55 1.20 0.00 0.00 173.24 174.08 2juw h ASN 9 N -0.96 0.00 -0.30 5.45 -1.07 -2.00 0.65 115.58 117.35 2juw h ASN 9 Ca -0.46 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 55.85 2juw h ASN 9 Cb 1.25 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.49 2juw h ASN 9 CO 0.59 0.08 -0.02 0.74 0.07 0.00 0.00 177.43 178.90 2juw h THR 10 N 0.00 1.22 -0.24 6.14 2.02 -1.98 0.33 112.91 120.40 2juw h THR 10 Ca -0.00 -0.92 -0.14 0.00 0.77 0.00 0.00 66.41 66.11 2juw h THR 10 Cb 0.21 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2juw h THR 10 CO 0.01 0.32 -0.40 -0.61 0.37 0.00 0.00 175.52 175.21 2juw h GLN 11 N 0.61 0.70 -0.06 6.66 5.75 -1.25 -0.48 115.11 127.05 2juw h GLN 11 Ca 0.12 -0.43 -0.00 0.00 -0.15 0.00 0.00 58.65 58.19 2juw h GLN 11 Cb 0.41 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 2juw h GLN 11 CO 0.02 1.05 0.03 0.28 -2.65 0.00 0.00 178.83 177.56 2juw h VAL 12 N 0.43 1.04 -0.93 2.39 2.07 -1.06 -2.47 116.25 117.71 2juw h VAL 12 Ca 0.02 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2juw h VAL 12 Cb 1.00 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 2juw h VAL 12 CO 0.09 0.03 0.61 -0.08 0.02 0.00 0.00 177.57 178.25 2juw h GLU 13 N 0.05 1.11 -0.77 1.57 4.57 -0.30 0.17 114.58 120.98 2juw h GLU 13 Ca 0.02 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2juw h GLU 13 Cb 0.03 -0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 28.31 2juw h GLU 13 CO -0.00 0.74 0.47 1.03 -1.18 0.00 0.00 179.01 180.07 2juw h SER 14 N 1.15 0.76 -0.13 1.04 0.87 -0.76 -0.59 113.55 115.89 2juw h SER 14 Ca 0.38 0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.75 2juw h SER 14 Cb 0.06 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2juw h SER 14 CO -0.12 0.51 -0.71 -0.07 -0.53 0.00 0.00 176.83 175.90 2juw h LEU 15 N 0.90 0.85 -0.58 2.23 4.07 -0.84 -2.18 115.31 119.75 2juw h LEU 15 Ca 0.32 -0.64 0.09 0.00 0.08 0.00 0.00 57.88 57.73 2juw h LEU 15 Cb 0.09 -0.25 -0.07 0.00 1.08 0.00 0.00 40.66 41.51 2juw h LEU 15 CO -0.14 1.35 0.18 0.40 -1.08 0.00 0.00 178.44 179.16 2juw h ILE 16 N 0.40 0.74 -0.33 1.22 2.04 -0.58 0.42 117.51 121.43 2juw h ILE 16 Ca -0.05 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 2juw h ILE 16 Cb 1.35 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2juw h ILE 16 CO 0.15 0.06 -0.14 0.00 0.00 0.00 0.00 178.15 178.22 2juw h ALA 17 N 1.41 1.14 -0.14 1.87 0.00 -1.12 -0.98 119.26 121.44 2juw h ALA 17 Ca 0.29 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2juw h ALA 17 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2juw h ALA 17 CO -0.32 0.54 -0.33 1.49 0.00 0.00 0.00 179.25 180.64 2juw h GLU 18 N 0.53 0.47 -0.33 0.00 4.57 -0.42 -2.15 114.58 117.26 2juw h GLU 18 Ca 0.09 -0.32 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 2juw h GLU 18 Cb 0.55 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 2juw h GLU 18 CO 0.03 0.93 -0.01 0.82 -1.18 0.00 0.00 179.01 179.60 2juw h ILE 19 N 0.07 1.20 -0.25 2.32 1.08 -0.18 -2.35 117.51 119.39 2juw h ILE 19 Ca -0.00 -0.78 0.04 0.00 -0.39 0.00 0.00 64.86 63.73 2juw h ILE 19 Cb 0.93 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.60 2juw h ILE 19 CO 0.07 0.27 0.00 0.25 -0.69 0.00 0.00 178.15 178.05 2juw h LEU 20 N 0.49 -0.09 -0.39 1.44 7.12 -1.01 -2.48 115.31 120.38 2juw h LEU 20 Ca 0.10 0.06 0.05 0.00 0.13 0.00 0.00 57.88 58.22 2juw h LEU 20 Cb 0.33 0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 40.51 2juw h LEU 20 CO 0.01 -0.02 0.11 0.58 -0.13 0.00 0.00 178.44 178.99 2juw h VAL 21 N 0.08 0.85 0.12 1.05 2.07 -0.87 -2.25 116.25 117.30 2juw h VAL 21 Ca 0.12 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2juw h VAL 21 Cb 0.15 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2juw h VAL 21 CO -0.20 0.05 -0.51 0.58 0.02 0.00 0.00 177.57 177.51 2juw h VAL 22 N 0.25 0.00 -0.36 2.57 2.07 -1.10 0.27 116.25 119.95 2juw h VAL 22 Ca 0.18 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 2juw h VAL 22 Cb 0.19 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 2juw h VAL 22 CO -0.21 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.18 2juw h LEU 23 N -0.73 -0.48 -0.61 2.57 3.38 -1.36 -2.61 115.31 115.47 2juw h LEU 23 Ca -0.01 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2juw h LEU 23 Cb 0.73 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2juw h LEU 23 CO -0.27 -0.17 -0.02 -0.62 0.09 0.00 0.00 178.44 177.45 2juw n GLU 24 N -5.33 1.36 -0.08 1.13 1.02 -0.86 -2.40 120.64 115.48 2juw n GLU 24 Ca 0.01 -0.61 -0.13 0.00 -0.02 0.00 0.00 57.16 56.42 2juw n GLU 24 Cb 0.24 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 2juw n GLU 24 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2juw h LYS 25 N 1.49 0.59 0.00 3.49 1.57 -0.07 -3.11 116.57 120.53 2juw h LYS 25 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2juw h LYS 25 Cb 0.35 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2juw h LYS 25 CO 0.00 0.90 0.00 0.45 -0.57 0.00 0.00 179.45 180.23 2juw h HIS 26 N 0.30 0.00 -4.48 -1.35 3.86 -1.53 -3.47 115.15 108.49 2juw h HIS 26 Ca 0.04 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.97 2juw h HIS 26 Cb 0.78 0.00 0.10 0.00 1.06 0.00 0.00 27.41 29.35 2juw h HIS 26 CO 0.07 0.00 -0.49 1.63 0.86 0.00 0.00 177.93 180.00 2juw n LYS 27 N -3.00 -5.60 -1.93 2.45 5.02 -1.01 -4.95 118.16 109.15 2juw n LYS 27 Ca 0.03 0.59 -0.41 0.00 -2.02 0.00 0.00 58.31 56.50 2juw n LYS 27 Cb 0.46 -4.92 -0.02 0.00 -0.02 0.00 0.00 35.03 30.53 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 -3.23 3.68 1.08 7.82 0.00 -1.18 -4.99 121.76 124.94 2juw s ALA 28 Ca 0.37 1.41 -0.13 0.00 0.00 0.00 0.00 51.96 53.62 2juw s ALA 28 Cb -0.16 -3.59 0.24 0.00 0.00 0.00 0.00 23.12 19.60 2juw s ALA 28 CO 0.52 -0.83 1.06 -1.25 0.00 0.00 0.00 175.76 175.27 2juw s PRO 29 N -0.24 -0.26 0.31 0.00 0.04 -1.26 -4.63 135.00 128.95 2juw s PRO 29 Ca 0.62 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.38 2juw s PRO 29 Cb -0.44 -1.64 0.57 0.00 0.04 0.00 0.00 34.50 33.03 2juw s PRO 29 CO 0.43 -3.25 1.90 1.15 0.04 0.00 0.00 177.00 177.27 2juw h THR 30 N -2.27 1.02 0.36 1.26 2.02 -1.99 0.15 112.91 113.46 2juw h THR 30 Ca -0.58 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 2juw h THR 30 Cb 1.33 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2juw h THR 30 CO 0.53 0.18 -0.25 0.44 0.37 0.00 0.00 175.52 176.80 2juw h ASP 31 N 0.98 -0.63 0.31 4.18 5.19 -2.00 -2.20 116.42 122.25 2juw h ASP 31 Ca 0.41 0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.77 2juw h ASP 31 Cb 0.30 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 2juw h ASP 31 CO -0.17 -0.38 -0.39 0.25 -3.12 0.00 0.00 179.24 175.43 2juw h LEU 32 N -0.59 0.12 -0.05 1.55 5.85 -1.72 -1.72 115.31 118.75 2juw h LEU 32 Ca -0.03 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2juw h LEU 32 Cb 0.50 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2juw h LEU 32 CO 0.02 0.51 0.03 0.28 -0.34 0.00 0.00 178.44 178.94 2juw h SER 33 N 0.10 0.06 -0.48 1.25 0.02 -0.53 0.21 113.55 114.18 2juw h SER 33 Ca 0.01 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 2juw h SER 33 Cb 0.74 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2juw h SER 33 CO 0.06 0.10 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.74 2juw h LEU 34 N 0.02 0.90 -0.23 5.07 3.38 -1.19 -1.27 115.31 121.99 2juw h LEU 34 Ca 0.02 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2juw h LEU 34 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2juw h LEU 34 CO -0.00 0.98 0.14 -0.03 0.09 0.00 0.00 178.44 179.61 2juw h MET 35 N 0.84 0.31 -0.05 1.13 4.05 -1.04 -0.51 114.93 119.67 2juw h MET 35 Ca 0.15 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2juw h MET 35 Cb 0.55 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2juw h MET 35 CO 0.03 0.25 0.03 0.00 0.23 0.00 0.00 176.91 177.45 2juw h ALA 36 N 1.04 0.07 -0.16 0.39 0.00 -0.38 -2.39 119.26 117.82 2juw h ALA 36 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2juw h ALA 36 Cb 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2juw h ALA 36 CO -0.02 -0.38 0.06 -0.07 0.00 0.00 0.00 179.25 178.84 2juw h LEU 37 N -0.02 0.06 -0.19 0.00 -0.00 -1.14 0.28 115.31 114.30 2juw h LEU 37 Ca 0.02 0.02 0.03 0.00 -0.00 0.00 0.00 57.88 57.95 2juw h LEU 37 Cb 0.10 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.74 2juw h LEU 37 CO -0.00 0.06 -0.01 1.23 -0.00 0.00 0.00 178.44 179.72 2juw h GLY 38 N 0.13 0.17 1.80 0.83 0.00 -1.02 -0.14 103.07 104.84 2juw h GLY 38 Ca 0.07 0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 2juw h GLY 38 CO -0.07 -0.04 -0.55 3.43 0.00 0.00 0.00 176.54 179.30 2juw h ASN 39 N 0.05 0.23 0.11 0.19 2.35 -1.31 -2.32 115.58 114.88 2juw h ASN 39 Ca 0.09 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2juw h ASN 39 Cb 0.12 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2juw h ASN 39 CO -0.16 0.74 -0.05 0.00 -1.65 0.00 0.00 177.43 176.31 2juw h VAL 41 N -0.47 1.14 0.00 0.00 2.07 -1.03 -2.07 116.25 115.89 2juw h VAL 41 Ca -0.02 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2juw h VAL 41 Cb 0.39 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2juw h VAL 41 CO 0.03 0.15 -0.08 0.74 0.02 0.00 0.00 177.57 178.42 2juw h THR 42 N 0.80 0.17 0.00 2.57 2.02 -1.41 -2.30 112.91 114.76 2juw h THR 42 Ca 0.22 -0.88 -0.13 0.00 0.77 0.00 0.00 66.41 66.40 2juw h THR 42 Cb -0.07 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2juw h THR 42 CO -0.06 0.08 -0.64 -0.74 0.37 0.00 0.00 175.52 174.53 2juw h HIS 43 N 0.00 0.00 -0.29 3.16 2.76 -0.44 -2.65 115.15 117.69 2juw h HIS 43 Ca -0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 2juw h HIS 43 Cb 0.74 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.69 2juw h HIS 43 CO 0.00 0.64 -0.08 -0.07 -1.30 0.00 0.00 177.93 177.12 2juw h LEU 44 N 0.00 0.44 -1.43 0.26 3.38 -0.97 -2.11 115.31 114.88 2juw h LEU 44 Ca -0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2juw h LEU 44 Cb 1.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2juw h LEU 44 CO 0.08 0.57 -0.03 -0.07 0.09 0.00 0.00 178.44 179.08 2juw h LEU 45 N 0.44 0.30 0.57 1.67 3.38 -1.40 -1.08 115.31 119.19 2juw h LEU 45 Ca 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2juw h LEU 45 Cb 0.41 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.09 2juw h LEU 45 CO 0.02 0.39 -0.27 -0.33 0.09 0.00 0.00 178.44 178.34 2juw h GLU 46 N 0.32 -0.74 0.02 1.13 5.08 -1.27 -3.16 114.58 115.96 2juw h GLU 46 Ca 0.07 0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 58.20 2juw h GLU 46 Cb 0.27 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2juw h GLU 46 CO 0.01 -0.49 -1.55 0.00 -1.00 0.00 0.00 179.01 175.98 2juw h ARG 47 N -1.08 0.04 0.00 2.33 3.08 -1.51 -3.40 114.38 113.84 2juw h ARG 47 Ca -0.08 -0.06 -0.32 0.00 0.07 0.00 0.00 59.98 59.59 2juw h ARG 47 Cb 0.59 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 2juw h ARG 47 CO 0.13 0.70 -2.22 1.17 -1.07 0.00 0.00 179.97 178.68 2juw n LYS 48 N -3.17 0.54 -3.00 0.04 3.00 -0.44 -4.95 118.16 110.17 2juw n LYS 48 Ca -0.14 0.12 -0.40 0.00 -0.00 0.00 0.00 58.31 57.90 2juw n LYS 48 Cb 1.03 -1.43 -0.05 0.00 0.00 0.00 0.00 35.03 34.58 2juw n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2juw s VAL 49 N -2.43 4.75 0.34 3.15 1.01 -0.98 -5.02 120.40 121.22 2juw s VAL 49 Ca -0.29 1.60 -0.26 0.00 0.00 0.00 0.00 61.98 63.03 2juw s VAL 49 Cb 0.07 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 2juw s VAL 49 CO 0.49 0.37 0.88 -2.65 0.00 0.00 0.00 175.10 174.19 2juw n PRO 50 N 2.81 1.10 -0.12 2.72 -0.02 -1.26 -4.57 135.00 135.67 2juw n PRO 50 Ca -0.03 0.39 -0.06 0.00 -2.02 0.00 0.00 63.50 61.78 2juw n PRO 50 Cb 0.50 -1.76 0.01 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.58 -0.72 -0.04 2.55 0.02 -1.89 -1.66 113.55 113.38 2juw h SER 51 Ca -0.40 0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 60.57 2juw h SER 51 Cb 1.36 0.38 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 2juw h SER 51 CO 0.58 -0.24 -0.41 -0.08 -1.14 0.00 0.00 176.83 175.53 2juw h GLU 52 N -0.14 0.57 0.00 3.45 4.81 -1.98 -3.01 114.58 118.28 2juw h GLU 52 Ca 0.19 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2juw h GLU 52 Cb 0.44 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2juw h GLU 52 CO -0.49 0.88 -0.09 0.77 -0.73 0.00 0.00 179.01 179.35 2juw h SER 53 N 0.46 0.00 -0.78 1.04 0.02 -1.69 -3.27 113.55 109.33 2juw h SER 53 Ca 0.04 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.16 2juw h SER 53 Cb 0.92 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.34 2juw h SER 53 CO 0.08 0.09 0.20 0.03 -1.14 0.00 0.00 176.83 176.09 2juw h ARG 54 N 0.00 0.26 0.25 3.45 3.08 -1.21 0.16 114.38 120.36 2juw h ARG 54 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2juw h ARG 54 Cb 0.61 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2juw h ARG 54 CO 0.01 0.17 -0.15 1.96 -1.07 0.00 0.00 179.97 180.90 2juw h GLN 55 N 0.27 -0.37 0.00 0.04 4.20 -1.79 -1.23 115.11 116.24 2juw h GLN 55 Ca 0.45 0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.99 2juw h GLN 55 Cb 0.80 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2juw h GLN 55 CO -0.54 -0.24 -0.86 0.00 -0.67 0.00 0.00 178.83 176.52 2juw h ALA 56 N 0.36 0.55 -0.30 3.87 0.00 -1.58 -1.31 119.26 120.85 2juw h ALA 56 Ca -0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 2juw h ALA 56 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2juw h ALA 56 CO 0.03 0.92 0.09 0.28 0.00 0.00 0.00 179.25 180.57 2juw h VAL 57 N 0.10 1.20 -0.49 0.00 2.07 -0.66 0.36 116.25 118.82 2juw h VAL 57 Ca -0.04 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2juw h VAL 57 Cb 1.48 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2juw h VAL 57 CO 0.13 0.22 0.25 0.00 0.02 0.00 0.00 177.57 178.19 2juw h ALA 58 N 0.93 0.63 -0.77 1.67 0.00 -1.18 0.34 119.26 120.88 2juw h ALA 58 Ca 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2juw h ALA 58 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2juw h ALA 58 CO -0.00 0.17 0.32 1.49 0.00 0.00 0.00 179.25 181.23 2juw h GLU 59 N 0.64 1.15 -0.15 0.00 4.81 -1.02 0.11 114.58 120.13 2juw h GLU 59 Ca 0.17 -0.20 -0.21 0.00 -0.13 0.00 0.00 59.36 58.98 2juw h GLU 59 Cb 0.09 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.28 2juw h GLU 59 CO -0.02 0.93 -0.76 0.37 -0.73 0.00 0.00 179.01 178.79 2juw h GLN 60 N 1.11 0.72 -0.63 1.92 4.15 -0.02 -2.11 115.11 120.26 2juw h GLN 60 Ca 0.26 -0.58 -0.00 0.00 0.77 0.00 0.00 58.65 59.09 2juw h GLN 60 Cb 0.20 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 2juw h GLN 60 CO -0.02 1.20 0.39 0.35 -1.93 0.00 0.00 178.83 178.81 2juw h PHE 61 N 0.50 0.82 -0.66 3.99 3.57 -0.06 -0.05 116.94 125.05 2juw h PHE 61 Ca -0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2juw h PHE 61 Cb 1.38 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 2juw h PHE 61 CO 0.08 0.55 0.35 0.00 -2.23 0.00 0.00 178.31 177.06 2juw h ALA 62 N 1.20 1.37 -0.18 2.41 0.00 -0.73 0.28 119.26 123.61 2juw h ALA 62 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2juw h ALA 62 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2juw h ALA 62 CO -0.04 0.51 0.08 0.87 0.00 0.00 0.00 179.25 180.67 2juw h LYS 63 N 0.92 0.27 -0.64 0.00 1.57 -0.66 -0.24 116.57 117.79 2juw h LYS 63 Ca 0.23 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 2juw h LYS 63 Cb 0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2juw h LYS 63 CO -0.04 0.31 0.19 0.00 -0.57 0.00 0.00 179.45 179.35 2juw h ALA 64 N 0.94 1.13 0.03 3.86 0.00 -0.38 0.26 119.26 125.11 2juw h ALA 64 Ca 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2juw h ALA 64 Cb 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2juw h ALA 64 CO -0.01 0.60 -0.02 1.25 0.00 0.00 0.00 179.25 181.07 2juw h LEU 65 N 0.95 -0.04 -1.26 0.00 5.85 -0.31 0.22 115.31 120.73 2juw h LEU 65 Ca 0.21 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2juw h LEU 65 Cb 0.28 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2juw h LEU 65 CO -0.01 0.15 0.20 0.00 -0.34 0.00 0.00 178.44 178.45 2juw h ALA 66 N 0.73 1.42 -0.67 1.25 0.00 -0.79 -1.64 119.26 119.56 2juw h ALA 66 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2juw h ALA 66 Cb 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2juw h ALA 66 CO 0.01 0.45 0.21 0.37 0.00 0.00 0.00 179.25 180.29 2juw h GLN 67 N 0.71 1.03 -0.43 0.00 4.15 -0.22 0.22 115.11 120.58 2juw h GLN 67 Ca 0.17 -0.22 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 2juw h GLN 67 Cb 0.14 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2juw h GLN 67 CO -0.02 0.90 -0.01 0.77 -1.93 0.00 0.00 178.83 178.54 2juw h SER 68 N 0.97 0.68 -0.20 -0.69 0.02 -0.23 0.34 113.55 114.44 2juw h SER 68 Ca 0.22 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 2juw h SER 68 Cb 0.29 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 2juw h SER 68 CO -0.01 0.75 -0.30 0.58 -1.14 0.00 0.00 176.83 176.72 2juw h VAL 69 N 0.67 1.33 0.00 2.27 2.07 -1.02 -3.15 116.25 118.42 2juw h VAL 69 Ca 0.13 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2juw h VAL 69 Cb 0.42 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2juw h VAL 69 CO 0.02 0.46 0.00 0.50 0.02 0.00 0.00 177.57 178.57 2juw h LYS 70 N 0.22 0.00 0.00 1.57 3.64 -0.17 -2.71 116.57 119.12 2juw h LYS 70 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2juw h LYS 70 Cb 0.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2juw h LYS 70 CO 0.07 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 177.70 2juw n SER 71 N -2.52 0.41 0.13 4.20 2.88 0.12 0.15 113.62 118.99 2juw n SER 71 Ca 0.03 0.62 -0.01 0.00 -1.33 0.00 0.00 58.87 58.18 2juw n SER 71 Cb 0.32 -0.70 0.14 0.00 -0.75 0.00 0.00 64.21 63.23 2juw n SER 71 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2juw h ASN 72 N 0.00 0.00 0.00 -3.46 -0.73 -1.63 -3.34 115.58 106.42 2juw h ASN 72 Ca 0.00 0.00 -0.38 0.00 1.87 0.00 0.00 56.30 57.79 2juw h ASN 72 Cb 0.25 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 38.79 2juw h ASN 72 CO 0.00 0.64 -2.07 0.18 -0.37 0.00 0.00 177.43 175.80 2juw n LEU 73 N -3.66 1.97 -4.71 0.34 4.32 -0.06 -4.89 117.00 110.30 2juw n LEU 73 Ca -0.01 0.35 -0.42 0.00 -0.02 0.00 0.00 56.01 55.91 2juw n LEU 73 Cb 0.66 -0.88 -0.03 0.00 -1.62 0.00 0.00 43.42 41.55 2juw n LEU 73 CO 0.42 0.49 0.97 -1.61 -1.22 0.00 0.00 177.39 176.43 2juw s GLU 74 N -2.46 4.38 -0.07 3.23 0.41 0.12 -4.92 118.70 119.39 2juw s GLU 74 Ca -0.35 1.86 0.18 0.00 -0.41 0.00 0.00 54.97 56.25 2juw s GLU 74 Cb 0.11 -3.38 -0.27 0.00 -1.78 0.00 0.00 34.13 28.82 2juw s GLU 74 CO 0.54 -0.37 0.30 -2.39 -0.49 0.00 0.00 175.26 172.85 2juw n HIS 75 N 4.27 0.00 -3.87 1.61 1.44 -1.26 -4.50 115.22 112.91 2juw n HIS 75 Ca 0.10 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.74 2juw n HIS 75 Cb 0.45 -0.56 -0.03 0.00 0.12 0.00 0.00 29.99 29.97 2juw n HIS 75 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2juw s HIS 76 N -3.03 -0.07 -0.64 -1.40 3.76 -1.26 -5.10 115.29 107.55 2juw s HIS 76 Ca -0.07 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 2juw s HIS 76 Cb 0.10 0.58 0.16 0.00 1.11 0.00 0.00 32.58 34.52 2juw s HIS 76 CO 0.76 -1.16 0.43 -3.38 -0.85 0.00 0.00 174.74 170.54 2juw s HIS 77 N -3.93 3.41 0.00 1.40 -3.43 -1.26 -5.00 115.29 106.47 2juw s HIS 77 Ca 0.13 -3.05 0.00 0.00 -0.80 0.00 0.00 55.06 51.34 2juw s HIS 77 Cb -0.04 -2.97 0.00 0.00 -1.43 0.00 0.00 32.58 28.14 2juw s HIS 77 CO 0.06 -0.73 0.00 0.72 -2.00 0.00 0.00 174.74 172.79 2juw n HIS 78 N 2.90 0.00 -3.38 0.38 8.25 -1.26 -3.90 115.22 118.21 2juw n HIS 78 Ca 0.11 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.38 2juw n HIS 78 Cb 0.35 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.37 2juw n HIS 78 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2juw s HIS 79 N 0.00 -0.21 0.00 4.41 3.76 -1.26 -5.22 115.29 116.77 2juw s HIS 79 Ca 0.00 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 2juw s HIS 79 Cb 0.00 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.21 2juw s HIS 79 CO 0.00 -0.94 0.00 1.58 -0.85 0.00 0.00 174.74 174.53