#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpq s PRO 2 N 0.00 2.51 0.17 0.03 0.02 -1.26 -4.80 135.00 131.66 2jpq s PRO 2 Ca 0.00 0.56 0.14 0.00 0.02 0.00 0.00 61.00 61.72 2jpq s PRO 2 Cb 0.00 -4.54 -0.06 0.00 0.02 0.00 0.00 34.50 29.92 2jpq s PRO 2 CO 0.00 -2.97 1.19 -0.84 -0.33 0.00 0.00 177.00 174.05 2jpq h ILE 3 N 7.08 0.91 -2.25 2.83 3.07 -2.03 -3.39 117.51 123.73 2jpq h ILE 3 Ca -0.19 -2.40 -0.59 0.00 1.55 0.00 0.00 64.86 63.23 2jpq h ILE 3 Cb 1.15 2.39 -0.41 0.00 -0.27 0.00 0.00 36.82 39.67 2jpq h ILE 3 CO 1.20 0.52 -0.75 0.41 -1.05 0.00 0.00 178.15 178.49 2jpq n THR 4 N -3.14 1.29 -1.17 0.16 -1.04 -1.26 -5.04 114.28 104.08 2jpq n THR 4 Ca -0.03 -4.77 0.00 0.00 -2.04 0.00 0.00 64.05 57.21 2jpq n THR 4 Cb 0.82 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 2jpq n THR 4 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jpq n SER 5 N 1.23 -6.60 -4.57 8.00 7.64 -1.26 -4.67 113.62 113.39 2jpq n SER 5 Ca 0.26 0.89 -0.39 0.00 1.01 0.00 0.00 58.87 60.64 2jpq n SER 5 Cb 0.44 -3.08 -0.02 0.00 -1.01 0.00 0.00 64.21 60.53 2jpq n SER 5 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2jpq s LYS 6 N -3.84 3.51 0.66 1.43 2.20 -1.26 -4.89 119.74 117.55 2jpq s LYS 6 Ca 0.00 -1.39 -0.04 0.00 -0.36 0.00 0.00 55.97 54.18 2jpq s LYS 6 Cb 0.00 -5.39 0.07 0.00 -1.51 0.00 0.00 37.83 31.00 2jpq s LYS 6 CO 0.00 -2.57 0.94 0.71 -0.36 0.00 0.00 175.35 174.07 2jpq s TYR 7 N 5.95 2.67 -0.31 4.03 2.02 -1.26 -5.02 117.35 125.44 2jpq s TYR 7 Ca 0.54 0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 57.15 2jpq s TYR 7 Cb 0.01 -3.06 -0.01 0.00 -0.40 0.00 0.00 41.96 38.50 2jpq s TYR 7 CO 0.01 -1.32 1.55 0.95 -1.57 0.00 0.00 175.55 175.17 2jpq s THR 8 N -3.09 3.78 0.21 -0.71 -4.23 -1.26 -4.89 115.64 105.45 2jpq s THR 8 Ca 0.61 0.84 -0.09 0.00 -1.18 0.00 0.00 61.69 61.87 2jpq s THR 8 Cb -0.10 -3.90 0.15 0.00 1.34 0.00 0.00 72.50 69.99 2jpq s THR 8 CO 0.43 -0.47 1.79 -0.78 -0.54 0.00 0.00 174.62 175.05 2jpq h ASP 9 N 10.92 0.50 -0.37 3.99 1.82 -2.00 -1.21 116.42 130.07 2jpq h ASP 9 Ca -0.31 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.37 2jpq h ASP 9 Cb 1.13 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.08 2jpq h ASP 9 CO 1.04 0.31 0.19 -0.33 -1.61 0.00 0.00 179.24 178.84 2jpq h GLU 10 N 0.64 0.52 -0.42 0.28 4.39 -1.99 -2.37 114.58 115.62 2jpq h GLU 10 Ca 0.31 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 2jpq h GLU 10 Cb 0.26 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2jpq h GLU 10 CO -0.22 0.45 0.15 0.37 -1.16 0.00 0.00 179.01 178.60 2jpq h GLN 11 N 0.46 0.64 -0.64 2.33 4.15 -1.75 0.15 115.11 120.45 2jpq h GLN 11 Ca 0.13 -0.13 0.06 0.00 0.77 0.00 0.00 58.65 59.48 2jpq h GLN 11 Cb 0.09 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.62 2jpq h GLN 11 CO -0.02 0.61 0.34 0.28 -1.93 0.00 0.00 178.83 178.11 2jpq h VAL 12 N 0.54 0.94 -0.77 2.39 2.07 -1.20 0.26 116.25 120.47 2jpq h VAL 12 Ca 0.14 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 2jpq h VAL 12 Cb 0.22 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2jpq h VAL 12 CO -0.01 0.11 0.26 -0.08 0.02 0.00 0.00 177.57 177.88 2jpq h GLU 13 N 0.62 1.18 -0.42 1.57 4.57 -0.87 -0.87 114.58 120.37 2jpq h GLU 13 Ca 0.29 -0.24 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 2jpq h GLU 13 Cb 0.21 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2jpq h GLU 13 CO -0.20 0.99 -0.17 0.87 -1.18 0.00 0.00 179.01 179.32 2jpq h LYS 14 N 1.14 0.85 -0.34 1.92 1.79 0.33 0.17 116.57 122.43 2jpq h LYS 14 Ca 0.25 -0.36 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2jpq h LYS 14 Cb 0.28 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 2jpq h LYS 14 CO -0.01 1.00 0.20 0.82 -1.08 0.00 0.00 179.45 180.38 2jpq h ILE 15 N 0.67 1.12 -0.93 1.86 2.04 -0.33 0.13 117.51 122.07 2jpq h ILE 15 Ca 0.10 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.70 2jpq h ILE 15 Cb 0.73 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 2jpq h ILE 15 CO 0.06 0.12 0.62 -0.07 0.00 0.00 0.00 178.15 178.87 2jpq h LEU 16 N 0.44 1.05 -0.41 1.44 3.38 -0.98 -0.63 115.31 119.60 2jpq h LEU 16 Ca 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2jpq h LEU 16 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2jpq h LEU 16 CO -0.02 0.75 0.16 0.00 0.09 0.00 0.00 178.44 179.42 2jpq h ALA 17 N 1.43 0.53 -0.41 1.53 0.00 0.11 0.28 119.26 122.73 2jpq h ALA 17 Ca 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2jpq h ALA 17 Cb -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2jpq h ALA 17 CO -0.08 0.13 0.20 0.93 0.00 0.00 0.00 179.25 180.43 2jpq h GLU 18 N 0.51 0.59 -0.12 0.00 5.08 -0.28 0.21 114.58 120.57 2jpq h GLU 18 Ca 0.14 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jpq h GLU 18 Cb 0.19 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2jpq h GLU 18 CO -0.01 0.51 0.05 0.28 -1.00 0.00 0.00 179.01 178.84 2jpq h VAL 19 N 0.52 1.12 -0.06 3.13 2.07 -0.96 -2.52 116.25 119.55 2jpq h VAL 19 Ca 0.14 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2jpq h VAL 19 Cb 0.11 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2jpq h VAL 19 CO -0.02 0.11 -0.11 0.00 0.02 0.00 0.00 177.57 177.57 2jpq h ALA 20 N 0.92 1.71 -0.36 1.67 0.00 -0.25 -1.89 119.26 121.06 2jpq h ALA 20 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jpq h ALA 20 Cb 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jpq h ALA 20 CO -0.00 0.22 0.15 1.25 0.00 0.00 0.00 179.25 180.86 2jpq h LEU 21 N 0.09 0.49 -0.62 0.00 6.46 -0.27 0.41 115.31 121.88 2jpq h LEU 21 Ca 0.02 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.58 2jpq h LEU 21 Cb 0.25 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 2jpq h LEU 21 CO 0.02 0.51 0.23 0.58 -0.62 0.00 0.00 178.44 179.16 2jpq h VAL 22 N 0.44 1.24 -0.49 1.05 2.07 -0.98 -1.12 116.25 118.45 2jpq h VAL 22 Ca 0.12 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 2jpq h VAL 22 Cb 0.17 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2jpq h VAL 22 CO -0.01 0.30 0.02 -0.07 0.02 0.00 0.00 177.57 177.83 2jpq h LEU 23 N 0.87 0.83 0.07 2.57 3.38 -1.13 -2.06 115.31 119.84 2jpq h LEU 23 Ca 0.20 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jpq h LEU 23 Cb 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2jpq h LEU 23 CO -0.01 0.92 -0.04 -0.08 0.09 0.00 0.00 178.44 179.33 2jpq h GLU 24 N 0.72 -0.09 0.00 1.13 4.57 0.13 -0.45 114.58 120.59 2jpq h GLU 24 Ca 0.14 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.25 2jpq h GLU 24 Cb 0.48 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2jpq h GLU 24 CO 0.02 0.04 -0.36 0.87 -1.18 0.00 0.00 179.01 178.40 2jpq h LYS 25 N -0.21 0.00 -0.00 1.92 1.57 -1.22 -1.25 116.57 117.37 2jpq h LYS 25 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jpq h LYS 25 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2jpq h LYS 25 CO 0.02 0.36 -0.05 0.72 -0.57 0.00 0.00 179.45 179.93 2jpq n HIS 26 N -4.04 0.00 -3.76 -1.35 8.25 -0.78 -4.92 115.22 108.63 2jpq n HIS 26 Ca -0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.20 2jpq n HIS 26 Cb 0.40 -0.17 0.04 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.00 -1.71 -1.97 -1.41 0.00 -0.47 -4.86 120.51 109.08 2jpq n ALA 27 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 2jpq n ALA 27 Cb 0.24 -3.10 -0.03 0.00 0.00 0.00 0.00 19.45 16.56 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 -3.50 3.43 0.72 0.00 0.00 -0.29 -4.96 121.76 117.16 2jpq s ALA 28 Ca 0.27 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 2jpq s ALA 28 Cb -0.13 -3.82 0.02 0.00 0.00 0.00 0.00 23.12 19.19 2jpq s ALA 28 CO 0.81 -1.70 1.11 0.43 0.00 0.00 0.00 175.76 176.40 2jpq n SER 29 N 7.96 1.01 -0.18 0.00 7.64 -1.26 -4.57 113.62 124.23 2jpq n SER 29 Ca 0.19 0.69 -0.01 0.00 1.01 0.00 0.00 58.87 60.75 2jpq n SER 29 Cb 0.43 -1.47 0.08 0.00 -1.01 0.00 0.00 64.21 62.25 2jpq n SER 29 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2jpq h PRO 30 N -0.20 0.20 -0.43 1.43 0.11 -1.98 0.51 132.00 131.63 2jpq h PRO 30 Ca -0.48 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.66 2jpq h PRO 30 Cb 1.33 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 2jpq h PRO 30 CO 0.48 0.13 0.21 0.93 -0.21 0.00 0.00 178.00 179.54 2jpq h GLU 31 N 0.20 0.40 0.12 1.05 4.39 -1.98 0.85 114.58 119.61 2jpq h GLU 31 Ca 0.28 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 2jpq h GLU 31 Cb 0.41 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2jpq h GLU 31 CO -0.39 0.27 -0.06 1.25 -1.16 0.00 0.00 179.01 178.92 2jpq h LEU 32 N 0.41 -0.14 -0.34 1.33 5.85 -1.59 0.83 115.31 121.66 2jpq h LEU 32 Ca 0.19 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2jpq h LEU 32 Cb 0.11 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2jpq h LEU 32 CO -0.15 0.09 -0.02 0.74 -0.34 0.00 0.00 178.44 178.76 2jpq h THR 33 N -0.36 0.72 -0.02 1.05 2.02 0.17 0.27 112.91 116.76 2jpq h THR 33 Ca -0.02 -0.02 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 2jpq h THR 33 Cb 0.29 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2jpq h THR 33 CO 0.03 0.01 -0.65 0.25 0.37 0.00 0.00 175.52 175.52 2jpq h LEU 34 N 0.07 0.11 -0.88 2.58 6.46 -0.77 -2.31 115.31 120.56 2jpq h LEU 34 Ca 0.17 -0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 2jpq h LEU 34 Cb 0.23 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2jpq h LEU 34 CO -0.30 0.73 -0.18 -0.03 -0.62 0.00 0.00 178.44 178.04 2jpq h MET 35 N 0.06 0.62 -0.76 1.25 4.05 -0.32 -1.31 114.93 118.52 2jpq h MET 35 Ca -0.01 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.19 2jpq h MET 35 Cb 1.17 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.88 2jpq h MET 35 CO 0.09 0.77 0.47 0.82 0.23 0.00 0.00 176.91 179.29 2jpq h ILE 36 N 0.55 1.21 -0.98 1.77 2.04 -0.52 0.37 117.51 121.96 2jpq h ILE 36 Ca 0.09 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2jpq h ILE 36 Cb 0.63 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 2jpq h ILE 36 CO 0.04 0.22 0.62 0.00 0.00 0.00 0.00 178.15 179.03 2jpq h ALA 37 N 1.25 1.26 -0.51 1.87 0.00 -0.95 -1.18 119.26 120.99 2jpq h ALA 37 Ca 0.28 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2jpq h ALA 37 Cb -0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.32 2jpq h ALA 37 CO -0.05 0.66 -0.11 0.78 0.00 0.00 0.00 179.25 180.53 2jpq h GLY 38 N 1.33 1.04 0.87 0.00 0.00 -0.40 -1.85 103.07 104.06 2jpq h GLY 38 Ca 0.35 -0.83 0.03 0.00 0.00 0.00 0.00 47.33 46.88 2jpq h GLY 38 CO -0.07 0.76 0.39 -0.57 0.00 0.00 0.00 176.54 177.05 2jpq h ASN 39 N 0.86 0.64 0.61 0.19 -0.73 0.35 0.23 115.58 117.73 2jpq h ASN 39 Ca 0.14 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.28 2jpq h ASN 39 Cb 0.66 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 39.11 2jpq h ASN 39 CO 0.05 0.44 -0.35 0.40 -0.37 0.00 0.00 177.43 177.60 2jpq h ILE 40 N 0.77 0.28 -0.43 2.57 2.04 -1.08 -2.08 117.51 119.59 2jpq h ILE 40 Ca 0.26 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.18 2jpq h ILE 40 Cb 0.02 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.33 2jpq h ILE 40 CO -0.11 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.15 2jpq h ALA 41 N -0.56 0.48 0.17 1.87 0.00 -0.96 -0.79 119.26 119.47 2jpq h ALA 41 Ca -0.08 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jpq h ALA 41 Cb 0.72 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2jpq h ALA 41 CO 0.09 -0.30 -0.32 1.15 0.00 0.00 0.00 179.25 179.88 2jpq h THR 42 N 0.24 0.33 -0.78 0.00 2.02 -0.52 0.12 112.91 114.33 2jpq h THR 42 Ca 0.21 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 2jpq h THR 42 Cb 0.24 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2jpq h THR 42 CO -0.25 0.00 0.35 -1.13 0.37 0.00 0.00 175.52 174.86 2jpq h ASN 43 N -0.57 1.04 -0.50 4.18 -0.73 -1.02 0.14 115.58 118.11 2jpq h ASN 43 Ca 0.02 -0.15 -0.07 0.00 1.87 0.00 0.00 56.30 57.97 2jpq h ASN 43 Cb 0.58 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 2jpq h ASN 43 CO -0.15 0.90 0.04 0.58 -0.37 0.00 0.00 177.43 178.42 2jpq h VAL 44 N 1.11 1.26 -0.29 2.57 2.07 -0.89 0.88 116.25 122.96 2jpq h VAL 44 Ca 0.26 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 2jpq h VAL 44 Cb 0.15 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2jpq h VAL 44 CO -0.03 0.36 -0.01 -0.07 0.02 0.00 0.00 177.57 177.84 2jpq h LEU 45 N 0.73 0.51 -0.18 2.57 3.38 -0.32 0.25 115.31 122.25 2jpq h LEU 45 Ca 0.15 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2jpq h LEU 45 Cb 0.47 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2jpq h LEU 45 CO 0.02 0.70 -0.11 0.78 0.09 0.00 0.00 178.44 179.92 2jpq h ASN 46 N 0.30 0.41 -0.16 -0.43 4.21 -0.59 -3.34 115.58 115.98 2jpq h ASN 46 Ca 0.08 -0.43 -0.17 0.00 1.21 0.00 0.00 56.30 56.99 2jpq h ASN 46 Cb 0.45 -0.11 -0.23 0.00 -1.12 0.00 0.00 38.32 37.30 2jpq h ASN 46 CO 0.02 0.76 -0.79 0.00 -1.29 0.00 0.00 177.43 176.12 2jpq n GLN 47 N -4.56 1.41 0.00 0.81 6.02 0.29 -4.83 117.38 116.52 2jpq n GLN 47 Ca -0.05 -3.05 0.00 0.00 -0.01 0.00 0.00 57.00 53.89 2jpq n GLN 47 Cb 0.33 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.39 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 -0.49 0.00 -2.63 -1.09 1.74 -0.60 -4.92 116.66 108.68 2jpq n ARG 48 Ca 0.17 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.93 2jpq n ARG 48 Cb 0.89 -0.04 -0.05 0.00 -1.02 0.00 0.00 32.46 32.24 2jpq n ARG 48 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jpq s VAL 49 N -1.81 4.53 0.34 1.55 0.11 0.77 -5.01 120.40 120.87 2jpq s VAL 49 Ca 0.00 1.21 -0.29 0.00 -2.93 0.00 0.00 61.98 59.98 2jpq s VAL 49 Cb 0.00 -3.68 -0.11 0.00 -1.53 0.00 0.00 36.38 31.07 2jpq s VAL 49 CO 0.00 -0.53 1.38 0.00 -3.33 0.00 0.00 175.10 172.63 2jpq s ALA 50 N -2.42 3.54 0.35 1.54 0.00 -1.26 -4.83 121.76 118.67 2jpq s ALA 50 Ca 0.59 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.95 2jpq s ALA 50 Cb -0.10 -3.53 0.63 0.00 0.00 0.00 0.00 23.12 20.12 2jpq s ALA 50 CO 0.25 -0.80 2.00 0.00 0.00 0.00 0.00 175.76 177.21 2jpq h ALA 51 N 3.39 1.55 0.00 0.00 0.00 -1.95 0.55 119.26 122.81 2jpq h ALA 51 Ca -0.49 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2jpq h ALA 51 Cb 1.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jpq h ALA 51 CO 0.66 0.40 -0.13 1.03 0.00 0.00 0.00 179.25 181.21 2jpq h SER 52 N 0.87 0.00 0.27 0.00 0.87 -2.01 -2.67 113.55 110.88 2jpq h SER 52 Ca 0.25 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.75 2jpq h SER 52 Cb -0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2jpq h SER 52 CO -0.06 0.13 -1.79 1.67 -0.53 0.00 0.00 176.83 176.25 2jpq n GLN 53 N -3.48 0.65 -0.11 2.24 -0.06 -0.03 -4.63 117.38 111.96 2jpq n GLN 53 Ca -0.01 -0.08 -0.05 0.00 -2.00 0.00 0.00 57.00 54.86 2jpq n GLN 53 Cb 0.29 -1.61 0.01 0.00 -4.06 0.00 0.00 30.24 24.87 2jpq n GLN 53 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 2jpq h ARG 54 N 0.00 -0.02 -0.25 3.69 2.43 0.38 0.43 114.38 121.04 2jpq h ARG 54 Ca -0.07 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.92 2jpq h ARG 54 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2jpq h ARG 54 CO 0.01 -0.01 -0.53 -0.22 -1.51 0.00 0.00 179.97 177.71 2jpq h LYS 55 N -0.02 0.79 -0.31 0.20 3.11 -1.82 -2.24 116.57 116.28 2jpq h LYS 55 Ca 0.18 -0.53 -0.09 0.00 -2.81 0.00 0.00 60.65 57.41 2jpq h LYS 55 Cb 0.29 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 2jpq h LYS 55 CO -0.40 1.15 -0.15 1.25 -2.81 0.00 0.00 179.45 178.49 2jpq h LEU 56 N 0.54 0.67 -1.07 5.20 6.46 -1.58 -2.14 115.31 123.40 2jpq h LEU 56 Ca 0.00 -0.41 -0.07 0.00 -0.12 0.00 0.00 57.88 57.29 2jpq h LEU 56 Cb 1.14 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 2jpq h LEU 56 CO 0.12 0.93 -0.32 -0.29 -0.62 0.00 0.00 178.44 178.26 2jpq h ILE 57 N 0.41 0.81 -0.41 4.05 2.10 -0.23 -1.60 117.51 122.64 2jpq h ILE 57 Ca 0.07 -1.34 -0.14 0.00 1.08 0.00 0.00 64.86 64.53 2jpq h ILE 57 Cb 0.68 1.83 -0.01 0.00 -1.09 0.00 0.00 36.82 38.23 2jpq h ILE 57 CO 0.05 0.32 -0.28 0.00 -1.08 0.00 0.00 178.15 177.15 2jpq h ALA 58 N 1.68 0.72 -0.57 0.18 0.00 -1.13 -0.73 119.26 119.40 2jpq h ALA 58 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2jpq h ALA 58 Cb 0.81 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2jpq h ALA 58 CO 0.04 0.66 0.32 0.93 0.00 0.00 0.00 179.25 181.20 2jpq h GLU 59 N 0.76 0.80 -0.67 0.00 4.39 -0.79 -1.02 114.58 118.04 2jpq h GLU 59 Ca 0.09 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2jpq h GLU 59 Cb 0.85 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 2jpq h GLU 59 CO 0.07 0.61 0.41 0.87 -1.16 0.00 0.00 179.01 179.81 2jpq h LYS 60 N 0.77 0.76 0.41 2.33 1.57 -1.07 0.23 116.57 121.58 2jpq h LYS 60 Ca 0.20 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2jpq h LYS 60 Cb 0.04 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2jpq h LYS 60 CO -0.03 0.50 -0.21 0.35 -0.57 0.00 0.00 179.45 179.50 2jpq h PHE 61 N 0.78 -0.53 -0.64 -1.35 3.57 -0.73 0.73 116.94 118.77 2jpq h PHE 61 Ca 0.28 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.79 2jpq h PHE 61 Cb 0.07 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2jpq h PHE 61 CO -0.05 -0.33 0.41 0.00 -2.23 0.00 0.00 178.31 176.10 2jpq h ALA 62 N 0.02 0.83 -0.75 2.41 0.00 -0.95 -2.15 119.26 118.67 2jpq h ALA 62 Ca -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jpq h ALA 62 Cb 0.44 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2jpq h ALA 62 CO 0.09 0.18 0.42 0.37 0.00 0.00 0.00 179.25 180.30 2jpq h GLN 63 N 0.81 1.05 -0.40 0.00 5.75 -0.35 -1.20 115.11 120.77 2jpq h GLN 63 Ca 0.25 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.65 2jpq h GLN 63 Cb -0.02 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.30 2jpq h GLN 63 CO -0.09 0.78 0.24 0.00 -2.65 0.00 0.00 178.83 177.11 2jpq h ALA 64 N 1.21 0.51 -0.24 3.38 0.00 -0.39 0.22 119.26 123.96 2jpq h ALA 64 Ca 0.27 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2jpq h ALA 64 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jpq h ALA 64 CO -0.04 -0.08 0.09 -0.07 0.00 0.00 0.00 179.25 179.15 2jpq h LEU 65 N 0.49 0.12 -0.75 0.00 4.07 -1.04 -1.91 115.31 116.28 2jpq h LEU 65 Ca 0.16 0.02 -0.13 0.00 0.08 0.00 0.00 57.88 58.01 2jpq h LEU 65 Cb -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2jpq h LEU 65 CO -0.07 0.10 -0.46 0.24 -1.08 0.00 0.00 178.44 177.17 2jpq h MET 66 N 0.21 0.38 0.00 1.13 2.86 -0.79 -1.54 114.93 117.18 2jpq h MET 66 Ca 0.10 -0.20 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 2jpq h MET 66 Cb 0.06 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2jpq h MET 66 CO -0.09 0.76 -0.57 0.66 1.06 0.00 0.00 176.91 178.73 2jpq h SER 67 N 0.31 0.00 -0.54 1.22 4.64 -0.41 -3.08 113.55 115.69 2jpq h SER 67 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2jpq h SER 67 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2jpq h SER 67 CO 0.08 0.57 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 2jpq n SER 68 N -3.36 3.60 -4.72 4.97 3.41 -0.73 -4.97 113.62 111.81 2jpq n SER 68 Ca 0.01 -2.10 -0.42 0.00 -0.26 0.00 0.00 58.87 56.11 2jpq n SER 68 Cb 0.71 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.18 4.42 -0.79 1.04 2.96 -0.59 -4.96 118.68 119.58 2jpq s LEU 69 Ca 0.38 1.80 -0.25 0.00 -0.22 0.00 0.00 54.13 55.83 2jpq s LEU 69 Cb 0.21 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 2jpq s LEU 69 CO 0.24 -0.24 1.88 -1.61 -1.32 0.00 0.00 176.35 175.30 2jpq s GLU 70 N 0.60 2.63 0.28 1.98 0.41 -1.26 -4.97 118.70 118.37 2jpq s GLU 70 Ca 0.51 0.04 -0.11 0.00 -0.41 0.00 0.00 54.97 55.00 2jpq s GLU 70 Cb -0.24 -4.79 -0.08 0.00 -1.78 0.00 0.00 34.13 27.25 2jpq s GLU 70 CO 0.29 -3.06 0.63 0.95 -0.49 0.00 0.00 175.26 173.59 2jpq s THR 71 N 9.41 4.84 -0.84 3.63 -4.23 -1.26 -4.97 115.64 122.22 2jpq s THR 71 Ca 0.67 0.62 -0.20 0.00 -1.18 0.00 0.00 61.69 61.61 2jpq s THR 71 Cb -0.09 -3.63 -0.13 0.00 1.34 0.00 0.00 72.50 69.99 2jpq s THR 71 CO 0.08 -0.16 1.97 -0.81 -0.54 0.00 0.00 174.62 175.15 2jpq n PRO 72 N -0.36 1.67 -0.32 3.99 -0.04 -1.26 -4.52 135.00 134.15 2jpq n PRO 72 Ca 0.02 -1.87 0.07 0.00 -0.04 0.00 0.00 63.50 61.68 2jpq n PRO 72 Cb 0.53 -2.90 0.23 0.00 -0.04 0.00 0.00 33.50 31.32 2jpq n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jpq n LYS 73 N 6.66 2.45 -2.41 0.54 4.76 -1.26 -4.78 118.16 124.12 2jpq n LYS 73 Ca 0.49 -1.88 -0.37 0.00 -2.87 0.00 0.00 58.31 53.69 2jpq n LYS 73 Cb 0.38 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 2jpq n LYS 73 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2jpq s THR 74 N -1.49 3.81 -0.47 -0.18 -4.23 -1.26 -4.86 115.64 106.96 2jpq s THR 74 Ca 0.34 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 2jpq s THR 74 Cb 0.20 -4.79 0.15 0.00 1.34 0.00 0.00 72.50 69.39 2jpq s THR 74 CO 0.21 -1.65 0.29 -1.00 -0.54 0.00 0.00 174.62 171.93 2jpq s HIS 75 N 6.51 2.01 -0.14 3.99 3.76 -1.26 -5.08 115.29 125.08 2jpq s HIS 75 Ca 0.54 -2.51 -0.30 0.00 -0.15 0.00 0.00 55.06 52.65 2jpq s HIS 75 Cb -0.01 -1.80 0.10 0.00 1.11 0.00 0.00 32.58 31.98 2jpq s HIS 75 CO -0.04 -0.76 0.86 -1.17 -0.85 0.00 0.00 174.74 172.78 2jpq s LEU 76 N 0.06 -0.52 -0.31 0.89 2.96 -1.26 -5.13 118.68 115.38 2jpq s LEU 76 Ca 0.21 0.65 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2jpq s LEU 76 Cb -0.16 2.17 0.09 0.00 0.50 0.00 0.00 46.19 48.79 2jpq s LEU 76 CO -0.06 -0.42 0.00 -0.70 -1.32 0.00 0.00 176.35 173.85 2jpq s GLU 77 N -0.89 1.65 -0.47 1.98 -6.30 -1.26 -4.97 118.70 108.45 2jpq s GLU 77 Ca -0.05 -1.60 0.04 0.00 -2.50 0.00 0.00 54.97 50.85 2jpq s GLU 77 Cb -0.01 -2.98 0.61 0.00 0.00 0.00 0.00 34.13 31.74 2jpq s GLU 77 CO 0.04 -0.81 1.87 -2.39 0.02 0.00 0.00 175.26 173.99 2jpq n HIS 78 N 4.38 2.86 -0.10 5.30 1.44 -1.26 -1.30 115.22 126.54 2jpq n HIS 78 Ca -0.03 -2.05 -0.21 0.00 -2.01 0.00 0.00 57.72 53.43 2jpq n HIS 78 Cb 0.42 -0.98 -0.12 0.00 0.12 0.00 0.00 29.99 29.43 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 -1.10 0.32 0.00 -1.40 -0.00 -1.26 -4.59 115.22 107.20 2jpq n HIS 79 Ca 0.57 0.08 0.00 0.00 -0.00 0.00 0.00 57.72 58.37 2jpq n HIS 79 Cb 1.40 -1.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 2jpq n HIS 79 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpq n HIS 80 N -3.50 0.00 0.19 1.57 -0.00 -1.26 -4.90 115.22 107.31 2jpq n HIS 80 Ca -0.44 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.15 2jpq n HIS 80 Cb 0.97 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.89 2jpq n HIS 80 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jpq h HIS 81 N 0.00 -0.46 -2.95 1.57 3.86 -1.90 -3.38 115.15 111.89 2jpq h HIS 81 Ca 0.00 -0.01 -0.61 0.00 -1.16 0.00 0.00 60.37 58.59 2jpq h HIS 81 Cb 0.00 0.15 -0.40 0.00 1.06 0.00 0.00 27.41 28.22 2jpq h HIS 81 CO 0.00 -0.13 -0.71 -1.58 0.86 0.00 0.00 177.93 176.36 2jpq s HIS 82 N -4.55 2.51 0.00 2.45 5.65 -0.42 -5.04 115.29 115.89 2jpq s HIS 82 Ca -0.14 -2.82 0.00 0.00 0.25 0.00 0.00 55.06 52.35 2jpq s HIS 82 Cb 0.02 -2.10 0.00 0.00 -1.18 0.00 0.00 32.58 29.32 2jpq s HIS 82 CO 0.51 -0.70 0.00 1.58 -0.65 0.00 0.00 174.74 175.47