#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpq n PRO 2 N 0.00 2.11 0.01 0.03 -0.04 -1.26 -4.08 135.00 131.76 2jpq n PRO 2 Ca 0.00 -2.13 0.11 0.00 -0.04 0.00 0.00 63.50 61.44 2jpq n PRO 2 Cb 0.00 -1.85 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 2jpq n PRO 2 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2jpq n ILE 3 N 0.01 0.08 -1.92 0.52 -0.00 -1.26 -4.98 119.36 111.82 2jpq n ILE 3 Ca 0.41 -0.22 -0.36 0.00 -0.00 0.00 0.00 62.75 62.57 2jpq n ILE 3 Cb 0.59 0.39 0.04 0.00 -0.00 0.00 0.00 39.64 40.66 2jpq n ILE 3 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 2jpq s THR 4 N -3.21 2.40 -0.01 1.39 2.01 -1.26 -4.88 115.64 112.09 2jpq s THR 4 Ca 0.03 0.25 -0.34 0.00 0.31 0.00 0.00 61.69 61.94 2jpq s THR 4 Cb 0.15 -3.11 -0.13 0.00 0.01 0.00 0.00 72.50 69.43 2jpq s THR 4 CO 0.84 -0.05 1.76 -1.20 -0.69 0.00 0.00 174.62 175.28 2jpq n SER 5 N -1.64 3.22 -4.52 3.53 7.64 -1.26 -4.88 113.62 115.72 2jpq n SER 5 Ca 0.14 1.02 -0.42 0.00 1.01 0.00 0.00 58.87 60.62 2jpq n SER 5 Cb 0.49 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.29 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 2.94 3.52 0.02 1.43 2.36 -1.26 -4.98 119.74 123.77 2jpq s LYS 6 Ca 0.88 -1.20 -0.00 0.00 -2.55 0.00 0.00 55.97 53.10 2jpq s LYS 6 Cb -0.72 -5.04 0.00 0.00 -1.05 0.00 0.00 37.83 31.03 2jpq s LYS 6 CO 0.48 -2.05 0.03 0.66 1.55 0.00 0.00 175.35 176.02 2jpq n TYR 7 N 8.18 -3.77 -1.78 4.03 4.01 -1.26 -4.98 117.16 121.59 2jpq n TYR 7 Ca 0.25 -0.04 -0.43 0.00 -0.16 0.00 0.00 57.90 57.53 2jpq n TYR 7 Cb 0.50 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 2jpq n TYR 7 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jpq s THR 8 N -0.63 3.21 0.29 -0.72 2.01 -1.26 -4.87 115.64 113.67 2jpq s THR 8 Ca 0.02 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.27 2jpq s THR 8 Cb -0.00 -3.21 0.11 0.00 0.01 0.00 0.00 72.50 69.40 2jpq s THR 8 CO 0.01 -0.09 1.78 -2.24 -0.69 0.00 0.00 174.62 173.39 2jpq h ASP 9 N 12.25 0.59 -0.30 3.53 3.04 -2.00 -1.76 116.42 131.77 2jpq h ASP 9 Ca -0.42 -0.15 -0.11 0.00 -3.24 0.00 0.00 57.03 53.11 2jpq h ASP 9 Cb 1.21 -0.16 -0.02 0.00 -1.04 0.00 0.00 39.33 39.33 2jpq h ASP 9 CO 0.97 0.72 -0.18 -0.33 -2.04 0.00 0.00 179.24 178.38 2jpq h GLU 10 N 0.56 0.76 0.11 4.15 5.08 -1.98 -0.82 114.58 122.44 2jpq h GLU 10 Ca 0.11 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2jpq h GLU 10 Cb 0.49 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2jpq h GLU 10 CO 0.03 0.88 -0.32 0.37 -1.00 0.00 0.00 179.01 178.97 2jpq h GLN 11 N 0.67 -0.52 -0.12 2.33 4.15 -1.73 0.24 115.11 120.13 2jpq h GLN 11 Ca 0.10 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.58 2jpq h GLN 11 Cb 0.67 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 2jpq h GLN 11 CO 0.05 -0.35 -0.01 0.28 -1.93 0.00 0.00 178.83 176.87 2jpq h VAL 12 N -0.54 0.91 -0.61 2.39 2.07 -1.32 -0.46 116.25 118.68 2jpq h VAL 12 Ca 0.03 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2jpq h VAL 12 Cb 0.57 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2jpq h VAL 12 CO -0.19 0.01 0.29 -0.08 0.02 0.00 0.00 177.57 177.61 2jpq h GLU 13 N 0.03 0.50 -0.00 1.57 4.57 -0.81 -0.38 114.58 120.06 2jpq h GLU 13 Ca 0.06 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.03 2jpq h GLU 13 Cb 0.07 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2jpq h GLU 13 CO -0.10 0.33 -0.80 0.87 -1.18 0.00 0.00 179.01 178.12 2jpq h LYS 14 N 0.52 0.11 -0.23 1.92 6.56 -0.27 -2.19 116.57 122.99 2jpq h LYS 14 Ca 0.29 -0.11 -0.02 0.00 -1.06 0.00 0.00 60.65 59.75 2jpq h LYS 14 Cb 0.28 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 2jpq h LYS 14 CO -0.24 0.85 0.06 0.82 -2.06 0.00 0.00 179.45 178.89 2jpq h ILE 15 N 0.07 1.20 -0.75 1.86 2.04 -0.52 -2.30 117.51 119.11 2jpq h ILE 15 Ca -0.02 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.25 2jpq h ILE 15 Cb 1.41 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.63 2jpq h ILE 15 CO 0.12 0.21 0.49 -0.07 0.00 0.00 0.00 178.15 178.89 2jpq h LEU 16 N 0.20 0.72 -0.85 1.44 3.38 -0.96 0.91 115.31 120.15 2jpq h LEU 16 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2jpq h LEU 16 Cb 0.25 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2jpq h LEU 16 CO -0.00 0.47 0.19 0.00 0.09 0.00 0.00 178.44 179.20 2jpq h ALA 17 N 1.59 1.07 -0.25 1.53 0.00 -1.14 -0.32 119.26 121.72 2jpq h ALA 17 Ca 0.32 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2jpq h ALA 17 Cb 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jpq h ALA 17 CO -0.10 0.63 -0.28 0.93 0.00 0.00 0.00 179.25 180.43 2jpq h GLU 18 N 1.01 0.64 -0.46 0.00 4.39 -0.64 -1.83 114.58 117.68 2jpq h GLU 18 Ca 0.22 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.60 2jpq h GLU 18 Cb 0.31 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2jpq h GLU 18 CO -0.00 0.95 0.26 0.28 -1.16 0.00 0.00 179.01 179.34 2jpq h VAL 19 N 0.35 1.02 -0.72 3.13 2.07 -0.56 0.47 116.25 122.02 2jpq h VAL 19 Ca 0.04 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2jpq h VAL 19 Cb 0.85 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2jpq h VAL 19 CO 0.07 0.09 0.36 0.00 0.02 0.00 0.00 177.57 178.11 2jpq h ALA 20 N 1.22 0.93 -0.67 1.67 0.00 -1.06 -2.23 119.26 119.12 2jpq h ALA 20 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2jpq h ALA 20 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jpq h ALA 20 CO -0.11 0.48 0.39 1.25 0.00 0.00 0.00 179.25 181.26 2jpq h LEU 21 N 1.00 0.81 -0.92 0.00 6.46 -0.57 -1.19 115.31 120.89 2jpq h LEU 21 Ca 0.25 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.91 2jpq h LEU 21 Cb 0.10 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 2jpq h LEU 21 CO -0.03 0.64 0.26 0.58 -0.62 0.00 0.00 178.44 179.26 2jpq h VAL 22 N 0.92 1.24 -0.42 1.05 2.07 -0.37 -1.15 116.25 119.60 2jpq h VAL 22 Ca 0.24 -0.79 -0.15 0.00 0.82 0.00 0.00 66.70 66.82 2jpq h VAL 22 Cb -0.01 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2jpq h VAL 22 CO -0.04 0.32 -0.32 -0.07 0.02 0.00 0.00 177.57 177.48 2jpq h LEU 23 N 1.02 1.00 -1.20 2.57 3.38 -0.72 -2.54 115.31 118.82 2jpq h LEU 23 Ca 0.23 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 2jpq h LEU 23 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2jpq h LEU 23 CO -0.02 1.22 0.00 -0.33 0.09 0.00 0.00 178.44 179.41 2jpq h GLU 24 N 0.80 0.55 0.00 1.13 3.07 -1.03 0.22 114.58 119.32 2jpq h GLU 24 Ca 0.08 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2jpq h GLU 24 Cb 0.90 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 2jpq h GLU 24 CO 0.08 0.57 0.00 0.87 -1.40 0.00 0.00 179.01 179.14 2jpq h LYS 25 N 0.53 0.00 0.00 2.33 1.57 -0.78 -1.95 116.57 118.27 2jpq h LYS 25 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2jpq h LYS 25 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2jpq h LYS 25 CO 0.01 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.61 2jpq n HIS 26 N -3.04 0.00 -3.84 -1.35 8.25 -0.77 -5.00 115.22 109.47 2jpq n HIS 26 Ca -0.03 -0.32 -0.25 0.00 -0.26 0.00 0.00 57.72 56.86 2jpq n HIS 26 Cb 0.08 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.32 -1.78 -1.80 -1.41 0.00 -0.19 -4.87 120.51 110.14 2jpq n ALA 27 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 2jpq n ALA 27 Cb 0.18 -2.61 -0.01 0.00 0.00 0.00 0.00 19.45 17.01 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 -3.61 3.64 0.63 0.00 0.00 -0.11 -5.01 121.76 117.30 2jpq s ALA 28 Ca 0.22 1.46 -0.09 0.00 0.00 0.00 0.00 51.96 53.55 2jpq s ALA 28 Cb -0.11 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.42 2jpq s ALA 28 CO 0.84 -0.89 1.00 -1.54 0.00 0.00 0.00 175.76 175.16 2jpq s SER 29 N 0.16 5.73 0.29 0.00 1.04 -1.26 -4.84 113.70 114.82 2jpq s SER 29 Ca 0.57 1.05 0.02 0.00 0.48 0.00 0.00 55.95 58.08 2jpq s SER 29 Cb -0.45 -2.01 0.59 0.00 0.10 0.00 0.00 66.02 64.25 2jpq s SER 29 CO 0.51 -1.09 1.85 -0.65 0.98 0.00 0.00 173.24 174.84 2jpq h PRO 30 N -0.36 0.93 0.08 4.02 0.11 -1.98 0.35 132.00 135.16 2jpq h PRO 30 Ca -0.45 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jpq h PRO 30 Cb 1.24 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2jpq h PRO 30 CO 0.62 0.62 -0.04 0.93 -0.21 0.00 0.00 178.00 179.92 2jpq h GLU 31 N 0.96 -0.11 -0.82 1.05 5.08 -2.00 -1.69 114.58 117.05 2jpq h GLU 31 Ca 0.48 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 2jpq h GLU 31 Cb 0.50 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2jpq h GLU 31 CO -0.25 0.10 0.43 1.25 -1.00 0.00 0.00 179.01 179.55 2jpq h LEU 32 N -0.31 1.04 -0.46 1.33 5.85 -1.82 -2.14 115.31 118.81 2jpq h LEU 32 Ca -0.01 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2jpq h LEU 32 Cb 0.26 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2jpq h LEU 32 CO 0.02 0.85 0.21 0.74 -0.34 0.00 0.00 178.44 179.92 2jpq h THR 33 N 1.15 0.94 -0.01 1.05 2.02 -0.15 -0.73 112.91 117.18 2jpq h THR 33 Ca 0.29 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 67.19 2jpq h THR 33 Cb 0.06 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2jpq h THR 33 CO -0.04 0.08 -0.63 0.25 0.37 0.00 0.00 175.52 175.55 2jpq h LEU 34 N 0.42 0.04 -0.84 2.58 5.85 -1.07 -2.34 115.31 119.95 2jpq h LEU 34 Ca 0.20 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 2jpq h LEU 34 Cb 0.14 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2jpq h LEU 34 CO -0.16 0.66 -0.31 -0.03 -0.34 0.00 0.00 178.44 178.25 2jpq h MET 35 N 0.02 0.50 -0.15 1.25 4.05 -0.87 0.25 114.93 119.99 2jpq h MET 35 Ca -0.01 -0.21 0.03 0.00 -0.28 0.00 0.00 59.70 59.23 2jpq h MET 35 Cb 1.11 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 2jpq h MET 35 CO 0.08 0.76 -0.04 0.82 0.23 0.00 0.00 176.91 178.76 2jpq h ILE 36 N 0.43 0.84 -0.53 1.77 1.08 -0.67 0.34 117.51 120.77 2jpq h ILE 36 Ca 0.05 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2jpq h ILE 36 Cb 0.76 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 2jpq h ILE 36 CO 0.06 0.00 0.33 0.00 -0.69 0.00 0.00 178.15 177.85 2jpq h ALA 37 N 1.14 0.67 -0.48 1.87 0.00 -1.04 -0.67 119.26 120.75 2jpq h ALA 37 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jpq h ALA 37 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jpq h ALA 37 CO -0.16 0.14 0.32 0.78 0.00 0.00 0.00 179.25 180.33 2jpq h GLY 38 N 0.71 0.68 1.60 0.00 0.00 -0.06 -1.14 103.07 104.85 2jpq h GLY 38 Ca 0.19 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 2jpq h GLY 38 CO -0.04 0.25 -0.20 3.43 0.00 0.00 0.00 176.54 179.98 2jpq h ASN 39 N 0.65 0.47 0.35 0.19 4.21 -0.10 0.18 115.58 121.53 2jpq h ASN 39 Ca 0.18 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 2jpq h ASN 39 Cb -0.07 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 36.99 2jpq h ASN 39 CO -0.04 0.68 -0.24 0.40 -1.29 0.00 0.00 177.43 176.94 2jpq h ILE 40 N 0.43 0.49 -0.64 2.81 2.04 -0.70 0.27 117.51 122.20 2jpq h ILE 40 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 2jpq h ILE 40 Cb 0.59 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2jpq h ILE 40 CO 0.04 0.00 0.39 0.00 0.00 0.00 0.00 178.15 178.58 2jpq h ALA 41 N 0.01 0.84 -0.45 1.87 0.00 -0.88 -0.77 119.26 119.88 2jpq h ALA 41 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jpq h ALA 41 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2jpq h ALA 41 CO 0.01 0.12 0.26 1.15 0.00 0.00 0.00 179.25 180.80 2jpq h THR 42 N 0.75 1.15 -0.80 0.00 2.02 -0.45 0.32 112.91 115.91 2jpq h THR 42 Ca 0.26 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.11 2jpq h THR 42 Cb 0.05 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 2jpq h THR 42 CO -0.12 0.15 0.51 -1.13 0.37 0.00 0.00 175.52 175.31 2jpq h ASN 43 N 0.59 0.85 -0.03 4.18 -0.73 0.03 0.10 115.58 120.58 2jpq h ASN 43 Ca 0.16 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 2jpq h ASN 43 Cb 0.02 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.41 2jpq h ASN 43 CO -0.03 0.59 0.02 0.58 -0.37 0.00 0.00 177.43 178.22 2jpq h VAL 44 N 1.00 1.09 0.00 2.57 2.07 -0.63 -0.15 116.25 122.21 2jpq h VAL 44 Ca 0.31 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2jpq h VAL 44 Cb -0.01 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2jpq h VAL 44 CO -0.10 0.08 0.00 -0.07 0.02 0.00 0.00 177.57 177.49 2jpq h LEU 45 N -0.06 0.00 0.00 2.57 3.38 0.42 0.67 115.31 122.29 2jpq h LEU 45 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jpq h LEU 45 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jpq h LEU 45 CO -0.00 0.00 -0.46 0.78 0.09 0.00 0.00 178.44 178.84 2jpq h ASN 46 N 0.00 0.00 0.00 -0.43 -0.26 -0.32 -3.45 115.58 111.12 2jpq h ASN 46 Ca 0.00 -0.03 -0.11 0.00 -0.56 0.00 0.00 56.30 55.60 2jpq h ASN 46 Cb 0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 2jpq h ASN 46 CO 0.00 0.75 -1.40 0.00 -1.06 0.00 0.00 177.43 175.72 2jpq n GLN 47 N -4.63 2.56 -0.58 0.81 6.02 -0.11 -4.69 117.38 116.75 2jpq n GLN 47 Ca -0.07 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.00 2jpq n GLN 47 Cb 0.25 -1.15 0.32 0.00 1.02 0.00 0.00 30.24 30.68 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 -2.30 3.56 -4.13 -1.09 1.74 0.04 -4.88 116.66 109.60 2jpq n ARG 48 Ca -0.10 -2.52 -0.09 0.00 -0.77 0.00 0.00 57.85 54.37 2jpq n ARG 48 Cb 0.68 -1.88 -0.10 0.00 -1.02 0.00 0.00 32.46 30.14 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 -1.94 0.32 0.40 1.55 0.11 -0.12 -4.89 120.40 115.82 2jpq s VAL 49 Ca 0.45 -1.87 -0.24 0.00 -2.93 0.00 0.00 61.98 57.39 2jpq s VAL 49 Cb 0.30 -1.74 -0.09 0.00 -1.53 0.00 0.00 36.38 33.32 2jpq s VAL 49 CO 0.20 -0.79 1.01 0.00 -3.33 0.00 0.00 175.10 172.19 2jpq s ALA 50 N -3.87 3.08 0.24 1.54 0.00 -1.26 -4.90 121.76 116.59 2jpq s ALA 50 Ca 0.14 0.61 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 2jpq s ALA 50 Cb 0.07 -3.23 0.37 0.00 0.00 0.00 0.00 23.12 20.33 2jpq s ALA 50 CO -0.05 -0.10 1.83 0.00 0.00 0.00 0.00 175.76 177.45 2jpq h ALA 51 N 2.44 1.19 0.00 0.00 0.00 -1.94 0.11 119.26 121.05 2jpq h ALA 51 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jpq h ALA 51 Cb 1.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jpq h ALA 51 CO 0.62 0.19 0.00 0.43 0.00 0.00 0.00 179.25 180.49 2jpq n SER 52 N -4.68 0.00 -0.01 0.00 7.64 -1.26 -3.15 113.62 112.17 2jpq n SER 52 Ca 0.13 -0.50 0.07 0.00 1.01 0.00 0.00 58.87 59.58 2jpq n SER 52 Cb 0.23 -0.13 -0.10 0.00 -1.01 0.00 0.00 64.21 63.19 2jpq n SER 52 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2jpq n GLN 53 N -1.13 0.76 -0.04 1.43 -0.06 0.29 -4.69 117.38 113.94 2jpq n GLN 53 Ca 0.17 -0.11 -0.10 0.00 -2.00 0.00 0.00 57.00 54.96 2jpq n GLN 53 Cb 0.15 -1.30 -0.07 0.00 -4.06 0.00 0.00 30.24 24.96 2jpq n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2jpq h ARG 54 N 0.00 -0.34 -0.23 3.69 3.08 -1.28 0.34 114.38 119.63 2jpq h ARG 54 Ca 0.00 0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2jpq h ARG 54 Cb 0.59 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2jpq h ARG 54 CO 0.00 -0.23 -0.38 -0.22 -1.07 0.00 0.00 179.97 178.07 2jpq h LYS 55 N -0.36 0.53 -0.13 0.04 3.11 -1.86 -2.32 116.57 115.59 2jpq h LYS 55 Ca 0.03 -0.26 -0.03 0.00 -2.81 0.00 0.00 60.65 57.59 2jpq h LYS 55 Cb 0.44 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.67 2jpq h LYS 55 CO -0.33 0.83 -0.03 -0.07 -2.81 0.00 0.00 179.45 177.03 2jpq h LEU 56 N 0.44 0.25 -1.35 5.20 3.38 -1.68 -1.56 115.31 119.99 2jpq h LEU 56 Ca 0.04 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2jpq h LEU 56 Cb 0.86 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2jpq h LEU 56 CO 0.07 0.56 -0.29 -0.29 0.09 0.00 0.00 178.44 178.58 2jpq h ILE 57 N -0.07 0.94 -0.48 1.22 2.10 -0.32 -0.43 117.51 120.47 2jpq h ILE 57 Ca 0.03 -1.12 -0.12 0.00 1.08 0.00 0.00 64.86 64.73 2jpq h ILE 57 Cb 0.46 1.65 -0.01 0.00 -1.09 0.00 0.00 36.82 37.83 2jpq h ILE 57 CO 0.01 0.29 -0.19 0.00 -1.08 0.00 0.00 178.15 177.19 2jpq h ALA 58 N 1.71 0.67 -0.22 0.18 0.00 -1.22 -0.67 119.26 119.70 2jpq h ALA 58 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2jpq h ALA 58 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jpq h ALA 58 CO 0.04 0.63 0.07 0.93 0.00 0.00 0.00 179.25 180.91 2jpq h GLU 59 N 0.82 0.35 -0.56 0.00 4.39 -0.42 0.11 114.58 119.28 2jpq h GLU 59 Ca 0.11 -0.08 0.09 0.00 0.34 0.00 0.00 59.36 59.82 2jpq h GLU 59 Cb 0.76 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.29 2jpq h GLU 59 CO 0.06 0.45 0.18 0.87 -1.16 0.00 0.00 179.01 179.41 2jpq h LYS 60 N 0.19 0.33 0.05 2.33 1.57 -1.04 0.15 116.57 120.15 2jpq h LYS 60 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2jpq h LYS 60 Cb 0.25 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2jpq h LYS 60 CO -0.00 0.22 -0.06 0.35 -0.57 0.00 0.00 179.45 179.39 2jpq h PHE 61 N 0.34 -0.15 -0.58 -1.35 3.57 -0.88 -1.57 116.94 116.33 2jpq h PHE 61 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2jpq h PHE 61 Cb 0.34 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2jpq h PHE 61 CO -0.19 -0.09 0.37 0.00 -2.23 0.00 0.00 178.31 176.17 2jpq h ALA 62 N 0.82 0.73 -0.89 2.41 0.00 -0.40 -0.47 119.26 121.47 2jpq h ALA 62 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jpq h ALA 62 Cb 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2jpq h ALA 62 CO -0.02 0.19 0.53 1.96 0.00 0.00 0.00 179.25 181.91 2jpq h GLN 63 N 0.78 1.21 -0.35 0.00 1.08 -0.60 0.98 115.11 118.21 2jpq h GLN 63 Ca 0.21 -0.11 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 2jpq h GLN 63 Cb -0.05 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.11 2jpq h GLN 63 CO -0.04 0.85 -0.20 0.00 -0.95 0.00 0.00 178.83 178.49 2jpq h ALA 64 N 1.29 1.00 -0.35 3.87 0.00 -0.82 -1.83 119.26 122.42 2jpq h ALA 64 Ca 0.32 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2jpq h ALA 64 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2jpq h ALA 64 CO -0.06 0.59 -0.38 1.25 0.00 0.00 0.00 179.25 180.66 2jpq h LEU 65 N 0.59 0.93 -0.86 0.00 5.85 -0.33 -2.03 115.31 119.47 2jpq h LEU 65 Ca 0.09 -0.48 -0.12 0.00 0.84 0.00 0.00 57.88 58.21 2jpq h LEU 65 Cb 0.66 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2jpq h LEU 65 CO 0.05 1.22 -0.52 0.24 -0.34 0.00 0.00 178.44 179.09 2jpq h MET 66 N 0.67 0.13 0.00 1.25 2.86 -0.72 -1.39 114.93 117.73 2jpq h MET 66 Ca 0.05 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 2jpq h MET 66 Cb 0.97 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2jpq h MET 66 CO 0.09 0.62 -0.36 0.66 1.06 0.00 0.00 176.91 178.98 2jpq h SER 67 N 0.10 0.00 0.04 1.22 4.64 -1.28 -2.88 113.55 115.39 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 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2jpq h SER 67 CO 0.07 0.36 -0.07 -1.20 -0.87 0.00 0.00 176.83 175.12 2jpq n SER 68 N -3.21 1.56 -4.63 4.97 7.64 -0.77 -4.86 113.62 114.32 2jpq n SER 68 Ca 0.02 -1.42 -0.43 0.00 1.01 0.00 0.00 58.87 58.06 2jpq n SER 68 Cb 0.66 0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 2jpq n SER 68 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jpq s LEU 69 N -2.13 3.88 -0.61 -3.43 2.96 -0.55 -4.96 118.68 113.84 2jpq s LEU 69 Ca 0.33 1.35 -0.24 0.00 -0.22 0.00 0.00 54.13 55.36 2jpq s LEU 69 Cb 0.20 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.41 2jpq s LEU 69 CO 0.38 -1.15 0.98 -0.70 -1.32 0.00 0.00 176.35 174.54 2jpq s GLU 70 N 4.36 3.22 -0.36 1.98 2.12 -1.26 -4.97 118.70 123.78 2jpq s GLU 70 Ca 0.62 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 55.45 2jpq s GLU 70 Cb -0.20 -4.14 0.11 0.00 0.26 0.00 0.00 34.13 30.16 2jpq s GLU 70 CO 0.25 -1.68 0.12 0.99 -0.54 0.00 0.00 175.26 174.40 2jpq s THR 71 N 4.13 1.61 -1.04 -1.70 2.01 -1.26 -5.03 115.64 114.36 2jpq s THR 71 Ca 0.27 -2.11 -0.09 0.00 0.31 0.00 0.00 61.69 60.08 2jpq s THR 71 Cb -0.14 -2.18 -0.15 0.00 0.01 0.00 0.00 72.50 70.04 2jpq s THR 71 CO 0.15 -0.70 3.20 -2.65 -0.69 0.00 0.00 174.62 173.92 2jpq n PRO 72 N 4.26 3.11 -0.39 4.92 -0.02 -1.26 -4.56 135.00 141.05 2jpq n PRO 72 Ca 0.03 -1.79 0.03 0.00 -2.02 0.00 0.00 63.50 59.74 2jpq n PRO 72 Cb 0.40 -2.51 0.17 0.00 -0.02 0.00 0.00 33.50 31.54 2jpq n PRO 72 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2jpq n LYS 73 N 3.16 2.64 0.09 -0.52 2.85 -1.26 -4.06 118.16 121.07 2jpq n LYS 73 Ca 0.66 -1.34 0.13 0.00 -1.05 0.00 0.00 58.31 56.71 2jpq n LYS 73 Cb 0.48 -1.82 0.43 0.00 -0.65 0.00 0.00 35.03 33.47 2jpq n LYS 73 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2jpq n THR 74 N 0.25 0.55 0.12 0.58 -2.24 -1.26 -3.08 114.28 109.20 2jpq n THR 74 Ca 0.12 -0.21 0.01 0.00 -2.27 0.00 0.00 64.05 61.71 2jpq n THR 74 Cb 0.67 -0.62 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 2jpq n THR 74 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2jpq n HIS 75 N -2.17 0.00 -3.53 4.78 8.25 -1.26 -4.99 115.22 116.30 2jpq n HIS 75 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2jpq n HIS 75 Cb 0.40 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 2jpq n HIS 75 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2jpq s LEU 76 N -0.28 -1.10 0.31 2.41 2.96 -1.18 -5.16 118.68 116.65 2jpq s LEU 76 Ca 0.03 1.34 -0.00 0.00 -0.22 0.00 0.00 54.13 55.29 2jpq s LEU 76 Cb 0.02 2.19 -0.04 0.00 0.50 0.00 0.00 46.19 48.86 2jpq s LEU 76 CO 0.04 -0.21 0.51 -1.83 -1.32 0.00 0.00 176.35 173.54 2jpq s GLU 77 N 2.84 3.51 -0.23 1.98 4.04 -1.26 -4.45 118.70 125.13 2jpq s GLU 77 Ca -0.01 -0.31 -0.28 0.00 0.04 0.00 0.00 54.97 54.40 2jpq s GLU 77 Cb -0.12 -2.70 0.01 0.00 0.02 0.00 0.00 34.13 31.34 2jpq s GLU 77 CO -0.19 0.22 1.01 -1.58 -1.84 0.00 0.00 175.26 172.88 2jpq s HIS 78 N -2.19 3.33 -0.98 4.83 5.65 -1.26 -4.91 115.29 119.76 2jpq s HIS 78 Ca 0.40 1.42 -0.24 0.00 0.25 0.00 0.00 55.06 56.89 2jpq s HIS 78 Cb -0.10 -3.25 -0.08 0.00 -1.18 0.00 0.00 32.58 27.97 2jpq s HIS 78 CO 0.34 -0.47 2.02 -1.01 -0.65 0.00 0.00 174.74 174.96 2jpq s HIS 79 N 3.16 1.71 -0.88 3.88 0.09 -1.26 -4.50 115.29 117.49 2jpq s HIS 79 Ca 0.43 0.90 0.13 0.00 -0.00 0.00 0.00 55.06 56.51 2jpq s HIS 79 Cb -0.15 -3.90 0.38 0.00 -0.00 0.00 0.00 32.58 28.91 2jpq s HIS 79 CO 0.06 -1.49 1.31 1.58 -0.00 0.00 0.00 174.74 176.20 2jpq n HIS 80 N 15.16 0.61 -2.34 1.40 -0.00 -1.26 -5.02 115.22 123.77 2jpq n HIS 80 Ca 0.42 -0.56 -0.25 0.00 -0.00 0.00 0.00 57.72 57.33 2jpq n HIS 80 Cb 0.46 -0.08 0.09 0.00 -0.00 0.00 0.00 29.99 30.47 2jpq n HIS 80 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jpq s HIS 81 N -1.31 2.33 -0.03 1.57 3.76 -1.26 -4.90 115.29 115.45 2jpq s HIS 81 Ca 0.29 0.14 -0.02 0.00 -0.15 0.00 0.00 55.06 55.32 2jpq s HIS 81 Cb 0.17 -3.20 0.01 0.00 1.11 0.00 0.00 32.58 30.66 2jpq s HIS 81 CO 0.16 -1.59 0.04 1.58 -0.85 0.00 0.00 174.74 174.08 2jpq n HIS 82 N -2.93 -1.77 -0.90 1.40 -0.00 -1.26 -5.24 115.22 104.51 2jpq n HIS 82 Ca 0.11 1.05 0.00 0.00 -0.00 0.00 0.00 57.72 58.88 2jpq n HIS 82 Cb 0.60 -2.58 0.00 0.00 -0.00 0.00 0.00 29.99 28.01 2jpq n HIS 82 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95