#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpq h PRO 2 N 0.00 0.00 -6.37 0.03 0.13 -2.07 -3.35 132.00 120.36 2jpq h PRO 2 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2jpq h PRO 2 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2jpq h PRO 2 CO 0.00 0.33 0.92 0.42 -0.23 0.00 0.00 178.00 179.44 2jpq s ILE 3 N -4.28 4.29 0.00 -3.56 -1.09 -1.26 -4.39 121.20 110.92 2jpq s ILE 3 Ca -0.03 1.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 2jpq s ILE 3 Cb 0.15 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2jpq s ILE 3 CO 0.72 -0.54 0.00 0.41 -1.23 0.00 0.00 174.94 174.30 2jpq n THR 4 N 6.14 0.00 -2.83 2.92 -1.04 -1.26 -4.85 114.28 113.36 2jpq n THR 4 Ca 0.13 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.71 2jpq n THR 4 Cb 0.47 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 2jpq n THR 4 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2jpq s SER 5 N 0.00 6.17 -0.02 8.00 0.15 -1.26 -4.65 113.70 122.10 2jpq s SER 5 Ca 0.00 -0.95 0.04 0.00 0.70 0.00 0.00 55.95 55.74 2jpq s SER 5 Cb 0.00 -2.43 0.05 0.00 -1.71 0.00 0.00 66.02 61.93 2jpq s SER 5 CO 0.00 -1.48 1.03 0.29 1.20 0.00 0.00 173.24 174.28 2jpq n LYS 6 N 7.86 0.24 -1.67 5.44 5.02 -1.26 -4.62 118.16 129.17 2jpq n LYS 6 Ca -0.03 -1.29 -0.12 0.00 -2.02 0.00 0.00 58.31 54.85 2jpq n LYS 6 Cb 0.46 -0.69 0.06 0.00 -0.02 0.00 0.00 35.03 34.85 2jpq n LYS 6 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jpq n TYR 7 N -0.27 -3.13 -2.72 2.13 4.02 -1.26 -5.06 117.16 110.87 2jpq n TYR 7 Ca 0.03 -0.95 -0.42 0.00 -0.01 0.00 0.00 57.90 56.56 2jpq n TYR 7 Cb 0.69 -0.39 -0.04 0.00 -0.02 0.00 0.00 39.34 39.58 2jpq n TYR 7 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2jpq s THR 8 N -1.53 4.69 0.30 -0.72 -4.23 -1.26 -4.95 115.64 107.95 2jpq s THR 8 Ca 0.35 2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 62.91 2jpq s THR 8 Cb -0.02 -4.32 0.25 0.00 1.34 0.00 0.00 72.50 69.75 2jpq s THR 8 CO 0.23 0.24 1.96 -0.78 -0.54 0.00 0.00 174.62 175.73 2jpq h ASP 9 N 6.20 0.91 -0.27 3.99 1.82 -2.00 -2.63 116.42 124.43 2jpq h ASP 9 Ca -0.42 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.18 2jpq h ASP 9 Cb 1.22 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.99 2jpq h ASP 9 CO 0.73 0.67 0.14 -0.33 -1.61 0.00 0.00 179.24 178.85 2jpq h GLU 10 N 1.06 0.38 -0.64 0.28 3.07 -1.99 -1.22 114.58 115.52 2jpq h GLU 10 Ca 0.28 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 2jpq h GLU 10 Cb -0.09 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.72 2jpq h GLU 10 CO -0.06 0.34 0.20 1.96 -1.40 0.00 0.00 179.01 180.05 2jpq h GLN 11 N 0.32 0.97 0.03 2.33 4.20 -1.91 -0.22 115.11 120.84 2jpq h GLN 11 Ca 0.09 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 2jpq h GLN 11 Cb 0.08 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2jpq h GLN 11 CO -0.01 0.84 -0.02 0.28 -0.67 0.00 0.00 178.83 179.25 2jpq h VAL 12 N 0.94 1.06 0.00 -0.54 2.07 -1.16 -0.86 116.25 117.77 2jpq h VAL 12 Ca 0.21 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2jpq h VAL 12 Cb 0.27 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2jpq h VAL 12 CO -0.01 0.08 -0.32 1.05 0.02 0.00 0.00 177.57 178.39 2jpq h GLU 13 N -0.17 0.00 -0.10 1.57 4.11 -1.02 -0.57 114.58 118.39 2jpq h GLU 13 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 2jpq h GLU 13 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.41 2jpq h GLU 13 CO 0.01 0.32 -0.47 0.87 0.07 0.00 0.00 179.01 179.81 2jpq h LYS 14 N 0.00 0.49 -0.37 1.06 6.56 -0.83 -1.00 116.57 122.49 2jpq h LYS 14 Ca -0.00 -0.40 -0.04 0.00 -1.06 0.00 0.00 60.65 59.15 2jpq h LYS 14 Cb 0.70 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.43 2jpq h LYS 14 CO 0.04 1.03 0.07 0.82 -2.06 0.00 0.00 179.45 179.34 2jpq h ILE 15 N 0.08 1.24 -0.87 1.86 2.04 -0.96 -1.89 117.51 119.01 2jpq h ILE 15 Ca -0.03 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.06 2jpq h ILE 15 Cb 1.11 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 2jpq h ILE 15 CO 0.10 0.28 0.54 -0.07 0.00 0.00 0.00 178.15 179.00 2jpq h LEU 16 N 0.45 0.85 0.11 1.44 3.38 -1.14 -0.11 115.31 120.29 2jpq h LEU 16 Ca 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2jpq h LEU 16 Cb 0.35 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jpq h LEU 16 CO 0.01 0.55 -0.05 0.00 0.09 0.00 0.00 178.44 179.03 2jpq h ALA 17 N 1.40 -0.15 -0.58 1.53 0.00 -0.86 0.16 119.26 120.76 2jpq h ALA 17 Ca 0.37 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2jpq h ALA 17 Cb 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jpq h ALA 17 CO -0.17 -0.57 0.19 0.93 0.00 0.00 0.00 179.25 179.63 2jpq h GLU 18 N -0.18 0.90 -0.02 0.00 5.08 -1.03 0.60 114.58 119.94 2jpq h GLU 18 Ca -0.02 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2jpq h GLU 18 Cb 0.14 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2jpq h GLU 18 CO 0.02 0.81 0.01 0.28 -1.00 0.00 0.00 179.01 179.13 2jpq h VAL 19 N 0.82 1.13 -0.13 3.13 2.07 -0.89 -2.03 116.25 120.35 2jpq h VAL 19 Ca 0.19 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2jpq h VAL 19 Cb 0.28 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2jpq h VAL 19 CO -0.01 0.11 -0.10 0.00 0.02 0.00 0.00 177.57 177.59 2jpq h ALA 20 N 0.84 1.59 -0.39 1.67 0.00 -0.52 -2.04 119.26 120.41 2jpq h ALA 20 Ca 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2jpq h ALA 20 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jpq h ALA 20 CO -0.00 0.30 0.07 1.25 0.00 0.00 0.00 179.25 180.87 2jpq h LEU 21 N 0.19 0.62 -0.85 0.00 6.46 -0.64 0.64 115.31 121.73 2jpq h LEU 21 Ca 0.04 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 2jpq h LEU 21 Cb 0.31 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 2jpq h LEU 21 CO 0.02 0.72 0.51 0.58 -0.62 0.00 0.00 178.44 179.64 2jpq h VAL 22 N 0.50 1.24 -0.05 1.05 2.07 -0.78 0.34 116.25 120.61 2jpq h VAL 22 Ca 0.12 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2jpq h VAL 22 Cb 0.36 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2jpq h VAL 22 CO 0.01 0.25 0.02 -0.07 0.02 0.00 0.00 177.57 177.80 2jpq h LEU 23 N 1.17 0.07 -0.50 2.57 3.38 -1.13 -1.11 115.31 119.77 2jpq h LEU 23 Ca 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2jpq h LEU 23 Cb -0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2jpq h LEU 23 CO -0.06 0.22 0.22 -0.08 0.09 0.00 0.00 178.44 178.83 2jpq h GLU 24 N -0.07 0.73 -0.30 1.13 4.81 -0.54 0.15 114.58 120.50 2jpq h GLU 24 Ca 0.02 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2jpq h GLU 24 Cb 0.16 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2jpq h GLU 24 CO -0.00 0.63 0.01 -0.22 -0.73 0.00 0.00 179.01 178.69 2jpq h LYS 25 N 0.66 0.45 -0.18 1.92 3.64 -0.23 -0.13 116.57 122.70 2jpq h LYS 25 Ca 0.17 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2jpq h LYS 25 Cb 0.15 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2jpq h LYS 25 CO -0.02 0.47 0.00 0.72 -2.27 0.00 0.00 179.45 178.35 2jpq n HIS 26 N -4.31 0.23 -3.34 1.91 8.25 -0.43 -4.91 115.22 112.62 2jpq n HIS 26 Ca 0.01 -0.11 -0.23 0.00 -0.26 0.00 0.00 57.72 57.12 2jpq n HIS 26 Cb 0.22 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.39 2jpq n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jpq n ALA 27 N 0.19 -1.16 -1.90 -1.41 0.00 -0.06 -4.89 120.51 111.29 2jpq n ALA 27 Ca 0.14 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 2jpq n ALA 27 Cb 0.28 -4.79 -0.03 0.00 0.00 0.00 0.00 19.45 14.90 2jpq n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpq s ALA 28 N -3.26 3.43 0.73 0.00 0.00 0.46 -4.99 121.76 118.13 2jpq s ALA 28 Ca 0.46 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 2jpq s ALA 28 Cb -0.20 -3.83 0.03 0.00 0.00 0.00 0.00 23.12 19.11 2jpq s ALA 28 CO 0.57 -1.73 1.08 -1.12 0.00 0.00 0.00 175.76 174.56 2jpq s SER 29 N 4.40 5.14 0.22 0.00 0.01 -1.26 -4.68 113.70 117.53 2jpq s SER 29 Ca 0.80 1.36 -0.13 0.00 1.31 0.00 0.00 55.95 59.29 2jpq s SER 29 Cb -0.34 -2.18 0.27 0.00 0.21 0.00 0.00 66.02 63.98 2jpq s SER 29 CO 0.33 -1.56 1.61 1.55 0.41 0.00 0.00 173.24 175.58 2jpq h PRO 30 N -0.81 -0.01 -0.19 12.44 0.13 -1.98 0.46 132.00 142.05 2jpq h PRO 30 Ca -0.45 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 2jpq h PRO 30 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2jpq h PRO 30 CO 0.60 -0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 179.19 2jpq h GLU 31 N -0.01 -0.08 -0.74 0.86 4.39 -1.99 -0.38 114.58 116.64 2jpq h GLU 31 Ca 0.33 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.97 2jpq h GLU 31 Cb 0.51 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 2jpq h GLU 31 CO -0.71 -0.06 0.22 1.25 -1.16 0.00 0.00 179.01 178.55 2jpq h LEU 32 N -0.09 1.08 -0.36 1.33 5.85 -1.48 -0.38 115.31 121.26 2jpq h LEU 32 Ca 0.11 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2jpq h LEU 32 Cb 0.24 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2jpq h LEU 32 CO -0.24 1.00 0.23 0.74 -0.34 0.00 0.00 178.44 179.83 2jpq h THR 33 N 1.10 1.08 -0.15 1.05 2.02 0.45 0.67 112.91 119.13 2jpq h THR 33 Ca 0.24 -0.16 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 2jpq h THR 33 Cb 0.32 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2jpq h THR 33 CO -0.01 0.09 -0.49 -0.07 0.37 0.00 0.00 175.52 175.41 2jpq h LEU 34 N 0.47 0.44 -0.70 2.58 4.07 -0.93 -2.46 115.31 118.78 2jpq h LEU 34 Ca 0.13 -0.22 0.04 0.00 0.08 0.00 0.00 57.88 57.91 2jpq h LEU 34 Cb -0.04 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.53 2jpq h LEU 34 CO -0.04 0.87 0.43 -0.03 -1.08 0.00 0.00 178.44 178.59 2jpq h MET 35 N 0.32 0.80 0.04 1.13 4.05 -0.37 0.22 114.93 121.12 2jpq h MET 35 Ca 0.02 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2jpq h MET 35 Cb 0.99 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 2jpq h MET 35 CO 0.09 0.53 -0.09 0.82 0.23 0.00 0.00 176.91 178.48 2jpq h ILE 36 N 0.82 0.79 -0.38 1.77 1.08 -0.64 0.52 117.51 121.47 2jpq h ILE 36 Ca 0.29 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.78 2jpq h ILE 36 Cb 0.07 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 2jpq h ILE 36 CO -0.13 0.00 0.22 0.00 -0.69 0.00 0.00 178.15 177.55 2jpq h ALA 37 N 0.77 0.48 -0.63 1.87 0.00 -0.95 0.79 119.26 121.59 2jpq h ALA 37 Ca 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2jpq h ALA 37 Cb 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2jpq h ALA 37 CO -0.06 -0.13 0.39 0.78 0.00 0.00 0.00 179.25 180.23 2jpq h GLY 38 N 0.44 0.90 1.21 0.00 0.00 -0.39 -1.58 103.07 103.65 2jpq h GLY 38 Ca 0.15 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 2jpq h GLY 38 CO -0.08 0.25 0.21 3.43 0.00 0.00 0.00 176.54 180.35 2jpq h ASN 39 N 0.76 0.93 0.59 0.19 2.35 -0.33 0.25 115.58 120.32 2jpq h ASN 39 Ca 0.25 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2jpq h ASN 39 Cb 0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2jpq h ASN 39 CO -0.10 0.86 -0.46 0.40 -1.65 0.00 0.00 177.43 176.48 2jpq h ILE 40 N 0.97 0.09 -0.73 2.81 2.04 -0.37 -0.15 117.51 122.17 2jpq h ILE 40 Ca 0.22 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.12 2jpq h ILE 40 Cb 0.26 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 2jpq h ILE 40 CO -0.01 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.59 2jpq h ALA 41 N -0.82 0.97 0.05 1.87 0.00 -1.14 -0.83 119.26 119.36 2jpq h ALA 41 Ca -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2jpq h ALA 41 Cb 0.86 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2jpq h ALA 41 CO 0.01 0.20 -0.10 1.15 0.00 0.00 0.00 179.25 180.51 2jpq h THR 42 N 0.85 0.76 -0.88 0.00 2.02 -0.80 0.38 112.91 115.24 2jpq h THR 42 Ca 0.31 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.48 2jpq h THR 42 Cb 0.09 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 2jpq h THR 42 CO -0.14 0.00 0.54 -1.13 0.37 0.00 0.00 175.52 175.16 2jpq h ASN 43 N -0.20 1.06 -0.24 4.18 -1.24 -0.57 0.10 115.58 118.68 2jpq h ASN 43 Ca 0.02 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 2jpq h ASN 43 Cb 0.22 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 2jpq h ASN 43 CO -0.06 0.81 0.12 0.58 -1.29 0.00 0.00 177.43 177.58 2jpq h VAL 44 N 1.21 1.13 0.00 2.57 2.07 -0.86 -0.31 116.25 122.06 2jpq h VAL 44 Ca 0.32 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2jpq h VAL 44 Cb -0.06 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2jpq h VAL 44 CO -0.06 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.84 2jpq n LEU 45 N -4.84 0.48 -0.04 2.57 4.32 0.10 0.10 117.00 119.67 2jpq n LEU 45 Ca -0.03 0.61 -0.20 0.00 -0.02 0.00 0.00 56.01 56.37 2jpq n LEU 45 Cb 0.09 -0.53 -0.13 0.00 -1.62 0.00 0.00 43.42 41.23 2jpq n LEU 45 CO 0.35 -0.43 -0.26 0.78 -1.22 0.00 0.00 177.39 176.61 2jpq h ASN 46 N 0.00 0.18 0.00 -1.43 -0.26 -0.34 -3.43 115.58 110.30 2jpq h ASN 46 Ca 0.00 -0.78 -0.09 0.00 -0.56 0.00 0.00 56.30 54.87 2jpq h ASN 46 Cb 0.37 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 2jpq h ASN 46 CO 0.00 1.43 -1.33 0.00 -1.06 0.00 0.00 177.43 176.47 2jpq n GLN 47 N -4.24 0.14 0.00 0.81 6.02 -0.19 -4.83 117.38 115.09 2jpq n GLN 47 Ca -0.24 0.04 0.12 0.00 -0.01 0.00 0.00 57.00 56.92 2jpq n GLN 47 Cb 0.73 -0.93 0.29 0.00 1.02 0.00 0.00 30.24 31.35 2jpq n GLN 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jpq n ARG 48 N -2.95 0.30 -4.16 -1.09 5.12 0.11 -4.88 116.66 109.12 2jpq n ARG 48 Ca -0.11 -0.18 -0.23 0.00 -1.93 0.00 0.00 57.85 55.40 2jpq n ARG 48 Cb 0.60 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.34 2jpq n ARG 48 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2jpq s VAL 49 N -2.82 3.47 0.26 1.55 0.11 0.67 -4.97 120.40 118.67 2jpq s VAL 49 Ca 0.16 -1.70 -0.30 0.00 -2.93 0.00 0.00 61.98 57.21 2jpq s VAL 49 Cb 0.18 -3.02 -0.09 0.00 -1.53 0.00 0.00 36.38 31.92 2jpq s VAL 49 CO 0.64 -0.28 1.09 0.00 -3.33 0.00 0.00 175.10 173.21 2jpq s ALA 50 N -2.33 3.40 0.23 1.54 0.00 -1.26 -4.91 121.76 118.43 2jpq s ALA 50 Ca 0.35 0.86 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 2jpq s ALA 50 Cb -0.05 -3.32 0.39 0.00 0.00 0.00 0.00 23.12 20.14 2jpq s ALA 50 CO 0.22 -0.13 1.66 0.00 0.00 0.00 0.00 175.76 177.51 2jpq h ALA 51 N 4.02 0.77 0.00 0.00 0.00 -1.97 0.03 119.26 122.12 2jpq h ALA 51 Ca -0.46 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2jpq h ALA 51 Cb 1.21 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2jpq h ALA 51 CO 0.68 -0.38 -0.09 0.66 0.00 0.00 0.00 179.25 180.12 2jpq h SER 52 N 0.17 0.00 1.60 0.00 4.64 -2.01 -3.10 113.55 114.84 2jpq h SER 52 Ca 0.38 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.65 2jpq h SER 52 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2jpq h SER 52 CO -0.56 0.09 -0.24 -0.61 -0.87 0.00 0.00 176.83 174.64 2jpq h GLN 53 N 0.00 0.00 -0.24 4.77 5.75 -1.43 -3.37 115.11 120.60 2jpq h GLN 53 Ca -0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 2jpq h GLN 53 Cb 1.01 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.48 2jpq h GLN 53 CO 0.01 0.24 -0.30 0.00 -2.65 0.00 0.00 178.83 176.14 2jpq h ARG 54 N 0.00 -0.30 -0.63 1.69 3.08 -1.12 0.40 114.38 117.50 2jpq h ARG 54 Ca -0.00 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2jpq h ARG 54 Cb 1.11 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 2jpq h ARG 54 CO 0.03 -0.20 0.22 -0.22 -1.07 0.00 0.00 179.97 178.73 2jpq h LYS 55 N -0.31 0.97 0.03 0.04 3.11 -1.79 -1.15 116.57 117.47 2jpq h LYS 55 Ca 0.13 -0.20 -0.00 0.00 -2.81 0.00 0.00 60.65 57.77 2jpq h LYS 55 Cb 0.52 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 2jpq h LYS 55 CO -0.41 0.84 -0.01 1.25 -2.81 0.00 0.00 179.45 178.30 2jpq h LEU 56 N 0.90 -0.03 -1.10 5.20 6.46 -1.61 -2.55 115.31 122.58 2jpq h LEU 56 Ca 0.21 -0.53 -0.08 0.00 -0.12 0.00 0.00 57.88 57.36 2jpq h LEU 56 Cb 0.26 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2jpq h LEU 56 CO -0.01 0.52 -0.23 -0.29 -0.62 0.00 0.00 178.44 177.81 2jpq h ILE 57 N -0.61 1.25 -0.12 4.05 2.10 -0.19 0.23 117.51 124.22 2jpq h ILE 57 Ca -0.00 -1.15 -0.03 0.00 1.08 0.00 0.00 64.86 64.76 2jpq h ILE 57 Cb 0.56 1.35 -0.00 0.00 -1.09 0.00 0.00 36.82 37.64 2jpq h ILE 57 CO 0.01 0.36 -0.05 0.00 -1.08 0.00 0.00 178.15 177.39 2jpq h ALA 58 N 1.44 0.16 -0.57 0.18 0.00 -1.26 0.07 119.26 119.29 2jpq h ALA 58 Ca 0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2jpq h ALA 58 Cb 0.59 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2jpq h ALA 58 CO 0.04 -0.07 -0.04 1.49 0.00 0.00 0.00 179.25 180.67 2jpq h GLU 59 N -0.10 1.03 -0.32 0.00 4.81 -1.19 -0.86 114.58 117.95 2jpq h GLU 59 Ca 0.03 -0.35 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 2jpq h GLU 59 Cb 0.50 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2jpq h GLU 59 CO 0.02 1.04 0.09 -0.22 -0.73 0.00 0.00 179.01 179.21 2jpq h LYS 60 N 0.92 0.21 -0.28 1.92 3.64 -0.50 -0.25 116.57 122.24 2jpq h LYS 60 Ca 0.16 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2jpq h LYS 60 Cb 0.60 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2jpq h LYS 60 CO 0.04 0.14 0.15 0.35 -2.27 0.00 0.00 179.45 177.86 2jpq h PHE 61 N 0.22 0.39 -0.64 1.91 3.57 -0.69 0.21 116.94 121.91 2jpq h PHE 61 Ca 0.15 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2jpq h PHE 61 Cb 0.14 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2jpq h PHE 61 CO -0.16 0.33 0.32 0.00 -2.23 0.00 0.00 178.31 176.57 2jpq h ALA 62 N 1.02 0.83 -0.25 2.41 0.00 -0.90 -0.36 119.26 122.00 2jpq h ALA 62 Ca 0.10 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2jpq h ALA 62 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jpq h ALA 62 CO -0.01 0.38 -0.28 1.96 0.00 0.00 0.00 179.25 181.30 2jpq h GLN 63 N 0.88 0.50 -0.14 0.00 1.08 -0.86 -1.69 115.11 114.88 2jpq h GLN 63 Ca 0.22 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 2jpq h GLN 63 Cb 0.11 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2jpq h GLN 63 CO -0.03 0.73 -0.26 0.00 -0.95 0.00 0.00 178.83 178.32 2jpq h ALA 64 N 1.27 1.30 -0.02 3.87 0.00 -0.42 -1.31 119.26 123.93 2jpq h ALA 64 Ca 0.06 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 2jpq h ALA 64 Cb 0.71 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2jpq h ALA 64 CO 0.05 0.48 -0.71 1.25 0.00 0.00 0.00 179.25 180.32 2jpq h LEU 65 N 0.23 0.14 0.00 0.00 5.85 -0.58 -2.15 115.31 118.81 2jpq h LEU 65 Ca 0.04 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2jpq h LEU 65 Cb 0.59 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2jpq h LEU 65 CO 0.04 0.81 -0.25 0.24 -0.34 0.00 0.00 178.44 178.94 2jpq h MET 66 N 0.08 0.00 0.00 1.25 2.86 -0.95 -2.47 114.93 115.70 2jpq h MET 66 Ca -0.02 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2jpq h MET 66 Cb 1.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 2jpq h MET 66 CO 0.10 0.08 -1.12 0.66 1.06 0.00 0.00 176.91 177.70 2jpq h SER 67 N 0.00 0.00 -0.26 1.22 4.64 -1.18 -3.21 113.55 114.76 2jpq h SER 67 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jpq h SER 67 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2jpq h SER 67 CO 0.01 0.41 0.00 -1.54 -0.87 0.00 0.00 176.83 174.84 2jpq n SER 68 N -2.90 2.25 -4.55 4.97 3.41 -0.82 -4.83 113.62 111.15 2jpq n SER 68 Ca -0.05 -1.83 -0.39 0.00 -0.26 0.00 0.00 58.87 56.34 2jpq n SER 68 Cb 0.74 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2jpq n SER 68 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2jpq s LEU 69 N -1.47 3.24 -0.70 1.04 2.96 -0.93 -4.95 118.68 117.88 2jpq s LEU 69 Ca 0.33 -0.34 -0.27 0.00 -0.22 0.00 0.00 54.13 53.63 2jpq s LEU 69 Cb 0.18 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 44.35 2jpq s LEU 69 CO 0.27 -2.05 1.26 -1.61 -1.32 0.00 0.00 176.35 172.90 2jpq s GLU 70 N 6.17 3.27 0.77 1.98 0.41 -1.26 -5.02 118.70 125.03 2jpq s GLU 70 Ca 0.50 -0.12 -0.12 0.00 -0.41 0.00 0.00 54.97 54.82 2jpq s GLU 70 Cb -0.08 -4.14 0.06 0.00 -1.78 0.00 0.00 34.13 28.18 2jpq s GLU 70 CO 0.12 -2.04 1.12 0.95 -0.49 0.00 0.00 175.26 174.93 2jpq s THR 71 N 5.56 2.84 -0.53 3.63 -4.23 -1.26 -4.92 115.64 116.73 2jpq s THR 71 Ca 0.37 0.27 -0.29 0.00 -1.18 0.00 0.00 61.69 60.87 2jpq s THR 71 Cb -0.08 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.46 2jpq s THR 71 CO 0.18 -0.36 2.41 -2.65 -0.54 0.00 0.00 174.62 173.66 2jpq n PRO 72 N -3.25 0.96 -3.26 3.99 -0.02 -1.26 -4.89 135.00 127.26 2jpq n PRO 72 Ca 0.07 0.10 -0.46 0.00 -2.02 0.00 0.00 63.50 61.19 2jpq n PRO 72 Cb 0.58 -2.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 2jpq n PRO 72 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jpq s LYS 73 N 7.89 3.47 -0.13 -0.52 -0.14 -1.26 -4.89 119.74 124.16 2jpq s LYS 73 Ca 1.07 -2.18 -0.28 0.00 -1.36 0.00 0.00 55.97 53.23 2jpq s LYS 73 Cb -0.50 -4.46 -0.25 0.00 -1.68 0.00 0.00 37.83 30.95 2jpq s LYS 73 CO 0.35 -1.38 0.78 1.79 -0.76 0.00 0.00 175.35 176.13 2jpq h THR 74 N 5.16 1.70 0.04 2.17 1.35 -2.04 -3.37 112.91 117.92 2jpq h THR 74 Ca 0.02 -2.21 -0.26 0.00 -0.55 0.00 0.00 66.41 63.42 2jpq h THR 74 Cb 1.05 3.17 -0.03 0.00 -1.73 0.00 0.00 68.15 70.62 2jpq h THR 74 CO 0.87 0.56 -1.34 0.45 -0.25 0.00 0.00 175.52 175.80 2jpq h HIS 75 N -0.96 0.15 -2.30 4.73 3.86 -2.03 -3.41 115.15 115.19 2jpq h HIS 75 Ca -0.00 -0.11 -0.65 0.00 -1.16 0.00 0.00 60.37 58.45 2jpq h HIS 75 Cb 0.92 -0.01 -0.15 0.00 1.06 0.00 0.00 27.41 29.24 2jpq h HIS 75 CO 0.26 1.12 0.84 -0.51 0.86 0.00 0.00 177.93 180.50 2jpq s LEU 76 N -6.65 4.53 -0.66 2.43 1.02 -1.26 -4.97 118.68 113.12 2jpq s LEU 76 Ca -0.04 -1.54 -0.24 0.00 0.02 0.00 0.00 54.13 52.33 2jpq s LEU 76 Cb 0.08 -2.44 0.05 0.00 0.02 0.00 0.00 46.19 43.91 2jpq s LEU 76 CO 0.83 -1.29 1.06 -1.83 0.02 0.00 0.00 176.35 175.14 2jpq s GLU 77 N 3.60 3.19 -0.84 1.70 -1.05 -1.26 -4.74 118.70 119.29 2jpq s GLU 77 Ca 0.31 -0.52 -0.06 0.00 -0.15 0.00 0.00 54.97 54.55 2jpq s GLU 77 Cb -0.08 -4.17 -0.01 0.00 -0.44 0.00 0.00 34.13 29.43 2jpq s GLU 77 CO -0.02 -1.84 2.84 -2.39 0.95 0.00 0.00 175.26 174.80 2jpq n HIS 78 N 8.16 1.76 -2.17 4.83 1.44 -1.26 -4.81 115.22 123.16 2jpq n HIS 78 Ca -0.00 -2.33 -0.42 0.00 -2.01 0.00 0.00 57.72 52.95 2jpq n HIS 78 Cb 0.47 -1.75 0.00 0.00 0.12 0.00 0.00 29.99 28.83 2jpq n HIS 78 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jpq n HIS 79 N 1.89 3.48 -3.26 -1.40 -0.00 -1.26 -4.91 115.22 109.76 2jpq n HIS 79 Ca 0.57 -2.91 -0.42 0.00 -0.00 0.00 0.00 57.72 54.95 2jpq n HIS 79 Cb 0.47 -2.26 -0.08 0.00 -0.00 0.00 0.00 29.99 28.12 2jpq n HIS 79 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jpq s HIS 80 N 1.88 3.15 -0.49 1.57 -3.43 -1.26 -5.03 115.29 111.67 2jpq s HIS 80 Ca 0.44 -0.15 -0.24 0.00 -0.80 0.00 0.00 55.06 54.30 2jpq s HIS 80 Cb 0.10 -2.99 0.03 0.00 -1.43 0.00 0.00 32.58 28.29 2jpq s HIS 80 CO -0.03 -0.68 0.88 -1.58 -2.00 0.00 0.00 174.74 171.34 2jpq s HIS 81 N 2.34 2.90 -0.05 0.38 2.46 -1.26 -4.75 115.29 117.31 2jpq s HIS 81 Ca 0.16 0.15 0.08 0.00 0.47 0.00 0.00 55.06 55.92 2jpq s HIS 81 Cb -0.16 -3.91 -0.11 0.00 -0.13 0.00 0.00 32.58 28.27 2jpq s HIS 81 CO 0.15 -1.16 0.10 1.58 -2.47 0.00 0.00 174.74 172.93 2jpq n HIS 82 N 7.12 0.00 -1.01 3.88 -0.00 -1.26 -5.35 115.22 118.61 2jpq n HIS 82 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 2jpq n HIS 82 Cb 0.48 -0.30 0.00 0.00 -0.12 0.00 0.00 29.99 30.05 2jpq n HIS 82 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38