#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 0.62 0.00 3.17 -0.04 -1.26 -4.40 135.00 133.10 2jpq n PRO 2 Ca 0.00 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 2jpq n PRO 2 Cb 0.00 -1.77 -0.14 0.00 -0.04 0.00 0.00 33.50 31.55 2jpq n PRO 2 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2jpq h ILE 3 N 0.00 0.81 -3.57 0.52 3.07 -2.08 -3.44 117.51 112.81 2jpq h ILE 3 Ca -0.09 -2.59 -0.71 0.00 1.55 0.00 0.00 64.86 63.03 2jpq h ILE 3 Cb 1.28 2.50 -0.23 0.00 -0.27 0.00 0.00 36.82 40.10 2jpq h ILE 3 CO 0.02 0.69 -0.49 -0.89 -1.05 0.00 0.00 178.15 176.43 2jpq s THR 4 N -2.59 4.85 0.00 0.16 2.01 -1.26 -5.00 115.64 113.81 2jpq s THR 4 Ca -0.12 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.18 2jpq s THR 4 Cb 0.07 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.92 2jpq s THR 4 CO 0.81 -0.21 0.00 -0.24 -0.69 0.00 0.00 174.62 174.28 2jpq n SER 5 N 5.06 0.00 0.14 3.53 2.88 -1.26 -4.88 113.62 119.08 2jpq n SER 5 Ca -0.12 -0.98 0.13 0.00 -1.33 0.00 0.00 58.87 56.57 2jpq n SER 5 Cb 0.47 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.38 2jpq n SER 5 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2jpq h LYS 6 N 0.00 0.00 0.00 -1.46 2.10 -1.99 -3.49 116.57 111.73 2jpq h LYS 6 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jpq h LYS 6 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2jpq h LYS 6 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 2jpq n TYR 7 N -2.39 -1.54 -2.13 0.07 4.02 -1.26 -4.05 117.16 109.87 2jpq n TYR 7 Ca 0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.55 2jpq n TYR 7 Cb 0.34 0.23 -0.03 0.00 -0.02 0.00 0.00 39.34 39.86 2jpq n TYR 7 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jpq s THR 8 N 0.00 3.44 0.62 -0.72 2.01 -1.26 -4.84 115.64 114.89 2jpq s THR 8 Ca 0.00 0.13 0.34 0.00 0.31 0.00 0.00 61.69 62.47 2jpq s THR 8 Cb 0.00 -4.13 0.38 0.00 0.01 0.00 0.00 72.50 68.76 2jpq s THR 8 CO 0.00 -1.09 2.23 -2.24 -0.69 0.00 0.00 174.62 172.83 2jpq h ASP 9 N 13.59 0.00 0.47 3.53 3.04 -1.99 -0.27 116.42 134.79 2jpq h ASP 9 Ca -0.20 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.56 2jpq h ASP 9 Cb 1.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.42 2jpq h ASP 9 CO 1.23 0.00 -0.23 -0.08 -2.04 0.00 0.00 179.24 178.13 2jpq h GLU 10 N 0.00 -0.61 -0.37 4.15 4.57 -1.93 -0.16 114.58 120.24 2jpq h GLU 10 Ca 0.02 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2jpq h GLU 10 Cb 0.17 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2jpq h GLU 10 CO -0.00 -0.36 0.23 0.37 -1.18 0.00 0.00 179.01 178.07 2jpq h GLN 11 N -0.72 0.45 -0.40 1.92 5.75 -1.50 -2.20 115.11 118.41 2jpq h GLN 11 Ca -0.06 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2jpq h GLN 11 Cb 0.53 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 2jpq h GLN 11 CO 0.11 0.30 0.26 0.28 -2.65 0.00 0.00 178.83 177.12 2jpq h VAL 12 N 0.46 1.09 -0.41 2.39 2.07 -1.24 -1.11 116.25 119.50 2jpq h VAL 12 Ca 0.14 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2jpq h VAL 12 Cb -0.02 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2jpq h VAL 12 CO -0.05 0.10 0.21 -0.08 0.02 0.00 0.00 177.57 177.76 2jpq h GLU 13 N 0.53 0.41 -0.77 1.57 4.81 -0.81 0.18 114.58 120.50 2jpq h GLU 13 Ca 0.15 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2jpq h GLU 13 Cb -0.05 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2jpq h GLU 13 CO -0.04 0.27 0.30 0.87 -0.73 0.00 0.00 179.01 179.68 2jpq h LYS 14 N 0.42 1.16 0.16 1.92 6.56 -1.02 0.28 116.57 126.05 2jpq h LYS 14 Ca 0.17 -0.21 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 2jpq h LYS 14 Cb 0.08 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.55 2jpq h LYS 14 CO -0.12 0.95 -0.08 0.82 -2.06 0.00 0.00 179.45 178.96 2jpq h ILE 15 N 1.12 0.94 -0.84 1.86 2.04 -0.83 -2.44 117.51 119.36 2jpq h ILE 15 Ca 0.26 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2jpq h ILE 15 Cb 0.23 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2jpq h ILE 15 CO -0.02 0.10 0.55 -0.07 0.00 0.00 0.00 178.15 178.71 2jpq h LEU 16 N -0.42 0.97 -0.70 1.44 3.38 -0.72 -1.80 115.31 117.46 2jpq h LEU 16 Ca -0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2jpq h LEU 16 Cb 0.33 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2jpq h LEU 16 CO 0.04 0.71 0.46 0.00 0.09 0.00 0.00 178.44 179.73 2jpq h ALA 17 N 1.30 0.90 -0.35 1.53 0.00 -0.39 0.11 119.26 122.35 2jpq h ALA 17 Ca 0.31 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 2jpq h ALA 17 Cb -0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2jpq h ALA 17 CO -0.06 0.29 -0.41 0.93 0.00 0.00 0.00 179.25 179.99 2jpq h GLU 18 N 0.93 0.88 -0.28 0.00 5.08 -1.13 -0.28 114.58 119.77 2jpq h GLU 18 Ca 0.26 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2jpq h GLU 18 Cb -0.08 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2jpq h GLU 18 CO -0.07 1.12 0.15 0.28 -1.00 0.00 0.00 179.01 179.49 2jpq h VAL 19 N 0.71 1.13 -0.53 3.13 2.07 -0.89 -0.09 116.25 121.79 2jpq h VAL 19 Ca 0.05 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2jpq h VAL 19 Cb 1.00 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2jpq h VAL 19 CO 0.10 0.13 0.16 0.00 0.02 0.00 0.00 177.57 177.98 2jpq h ALA 20 N 1.02 1.29 -0.58 1.67 0.00 -0.72 -1.06 119.26 120.88 2jpq h ALA 20 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2jpq h ALA 20 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2jpq h ALA 20 CO -0.01 0.51 0.25 1.25 0.00 0.00 0.00 179.25 181.24 2jpq h LEU 21 N 0.77 0.79 -0.83 0.00 6.46 -0.65 -1.34 115.31 120.51 2jpq h LEU 21 Ca 0.18 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2jpq h LEU 21 Cb 0.23 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 2jpq h LEU 21 CO -0.01 0.73 0.47 0.58 -0.62 0.00 0.00 178.44 179.59 2jpq h VAL 22 N 0.79 1.24 -0.04 1.05 2.07 -0.34 0.44 116.25 121.47 2jpq h VAL 22 Ca 0.20 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.15 2jpq h VAL 22 Cb 0.17 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2jpq h VAL 22 CO -0.02 0.26 -0.03 -0.07 0.02 0.00 0.00 177.57 177.74 2jpq h LEU 23 N 1.16 -0.09 -0.45 2.57 3.38 -0.84 -0.40 115.31 120.64 2jpq h LEU 23 Ca 0.30 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 2jpq h LEU 23 Cb 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2jpq h LEU 23 CO -0.05 -0.04 -0.01 -0.08 0.09 0.00 0.00 178.44 178.35 2jpq h GLU 24 N -0.03 0.80 -0.28 1.13 4.81 -0.90 0.41 114.58 120.53 2jpq h GLU 24 Ca 0.03 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 2jpq h GLU 24 Cb 0.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2jpq h GLU 24 CO -0.06 0.87 0.07 -0.22 -0.73 0.00 0.00 179.01 178.94 2jpq h LYS 25 N 0.65 0.39 -0.61 1.92 3.64 0.17 -1.40 116.57 121.33 2jpq h LYS 25 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2jpq h LYS 25 Cb 0.51 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2jpq h LYS 25 CO 0.02 0.36 0.00 0.72 -2.27 0.00 0.00 179.45 178.29 2jpq n HIS 26 N -4.38 0.94 -3.37 1.91 8.25 -0.18 -4.96 115.22 113.43 2jpq n HIS 26 Ca 0.01 -0.53 -0.24 0.00 -0.26 0.00 0.00 57.72 56.70 2jpq n HIS 26 Cb 0.16 -0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.25 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 1.21 -1.13 -2.06 -1.41 0.00 -0.53 -4.89 120.51 111.70 2jpq n ALA 27 Ca 0.21 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 2jpq n ALA 27 Cb 0.63 -4.35 -0.03 0.00 0.00 0.00 0.00 19.45 15.70 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 -3.21 3.57 0.62 0.00 0.00 0.14 -4.98 121.76 117.90 2jpq s ALA 28 Ca 0.46 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 53.06 2jpq s ALA 28 Cb -0.21 -3.75 -0.02 0.00 0.00 0.00 0.00 23.12 19.14 2jpq s ALA 28 CO 0.56 -1.45 1.27 0.45 0.00 0.00 0.00 175.76 176.59 2jpq s SER 29 N 3.35 4.89 0.28 0.00 0.15 -1.26 -4.73 113.70 116.37 2jpq s SER 29 Ca 0.71 2.54 0.01 0.00 0.70 0.00 0.00 55.95 59.92 2jpq s SER 29 Cb -0.31 -2.61 0.62 0.00 -1.71 0.00 0.00 66.02 62.01 2jpq s SER 29 CO 0.28 -1.81 1.74 1.55 1.20 0.00 0.00 173.24 176.20 2jpq h PRO 30 N 0.76 0.55 -0.31 5.44 0.13 -1.99 0.29 132.00 136.87 2jpq h PRO 30 Ca -0.51 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 2jpq h PRO 30 Cb 1.32 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2jpq h PRO 30 CO 0.54 0.36 0.16 0.93 -0.23 0.00 0.00 178.00 179.77 2jpq h GLU 31 N 0.57 0.43 -0.90 0.86 4.39 -2.00 -1.90 114.58 116.02 2jpq h GLU 31 Ca 0.51 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 60.16 2jpq h GLU 31 Cb 0.82 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.34 2jpq h GLU 31 CO -0.42 0.38 0.59 1.25 -1.16 0.00 0.00 179.01 179.65 2jpq h LEU 32 N 0.37 1.04 -0.20 1.33 5.85 -1.49 -0.39 115.31 121.82 2jpq h LEU 32 Ca 0.11 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2jpq h LEU 32 Cb 0.08 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2jpq h LEU 32 CO -0.02 0.76 -0.03 0.74 -0.34 0.00 0.00 178.44 179.55 2jpq h THR 33 N 1.23 0.82 -0.05 1.05 2.02 -0.02 0.44 112.91 118.40 2jpq h THR 33 Ca 0.33 -0.01 -0.17 0.00 0.77 0.00 0.00 66.41 67.33 2jpq h THR 33 Cb -0.13 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2jpq h THR 33 CO -0.07 0.00 -0.70 0.25 0.37 0.00 0.00 175.52 175.37 2jpq h LEU 34 N 0.02 0.30 -1.07 2.58 6.46 -0.96 -2.36 115.31 120.27 2jpq h LEU 34 Ca 0.10 -0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.58 2jpq h LEU 34 Cb 0.14 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2jpq h LEU 34 CO -0.19 0.91 -0.20 -0.03 -0.62 0.00 0.00 178.44 178.31 2jpq h MET 35 N 0.17 0.42 -0.56 1.25 4.05 -0.77 -1.75 114.93 117.74 2jpq h MET 35 Ca -0.02 -0.14 -0.04 0.00 -0.28 0.00 0.00 59.70 59.22 2jpq h MET 35 Cb 1.26 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.99 2jpq h MET 35 CO 0.11 0.61 0.19 0.82 0.23 0.00 0.00 176.91 178.87 2jpq h ILE 36 N 0.38 1.23 -0.52 1.77 2.04 -0.61 -2.32 117.51 119.49 2jpq h ILE 36 Ca 0.06 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.19 2jpq h ILE 36 Cb 0.57 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2jpq h ILE 36 CO 0.04 0.29 0.34 0.00 0.00 0.00 0.00 178.15 178.82 2jpq h ALA 37 N 1.05 1.75 -0.36 1.87 0.00 -0.88 -1.05 119.26 121.64 2jpq h ALA 37 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jpq h ALA 37 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jpq h ALA 37 CO -0.01 0.19 0.15 0.78 0.00 0.00 0.00 179.25 180.37 2jpq h GLY 38 N 0.59 0.57 0.99 0.00 0.00 -0.85 -1.14 103.07 103.23 2jpq h GLY 38 Ca 0.21 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2jpq h GLY 38 CO -0.05 0.29 0.55 3.43 0.00 0.00 0.00 176.54 180.76 2jpq h ASN 39 N 0.43 0.95 0.71 0.19 2.35 -0.78 0.49 115.58 119.92 2jpq h ASN 39 Ca 0.12 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2jpq h ASN 39 Cb 0.17 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 2jpq h ASN 39 CO -0.01 0.69 -0.44 0.40 -1.65 0.00 0.00 177.43 176.42 2jpq h ILE 40 N 1.13 0.12 -0.45 2.81 2.04 -0.96 -0.81 117.51 121.38 2jpq h ILE 40 Ca 0.31 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.22 2jpq h ILE 40 Cb -0.11 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.04 2jpq h ILE 40 CO -0.07 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.26 2jpq h ALA 41 N -0.90 0.56 -0.32 1.87 0.00 -1.03 -0.50 119.26 118.95 2jpq h ALA 41 Ca -0.09 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jpq h ALA 41 Cb 0.87 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2jpq h ALA 41 CO 0.09 -0.19 0.16 1.15 0.00 0.00 0.00 179.25 180.46 2jpq h THR 42 N 0.37 1.00 -0.28 0.00 2.02 -0.80 0.75 112.91 115.97 2jpq h THR 42 Ca 0.21 -0.12 -0.16 0.00 0.77 0.00 0.00 66.41 67.12 2jpq h THR 42 Cb 0.18 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2jpq h THR 42 CO -0.19 0.06 -0.45 -1.13 0.37 0.00 0.00 175.52 174.18 2jpq h ASN 43 N 0.34 0.78 -0.17 4.18 -0.73 -0.79 -0.15 115.58 119.03 2jpq h ASN 43 Ca 0.13 -0.38 -0.00 0.00 1.87 0.00 0.00 56.30 57.92 2jpq h ASN 43 Cb 0.04 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.40 2jpq h ASN 43 CO -0.09 1.11 0.10 0.58 -0.37 0.00 0.00 177.43 178.77 2jpq h VAL 44 N 0.58 1.09 0.00 2.57 2.07 -0.81 0.30 116.25 122.05 2jpq h VAL 44 Ca 0.04 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2jpq h VAL 44 Cb 1.01 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2jpq h VAL 44 CO 0.10 0.08 -0.05 -0.07 0.02 0.00 0.00 177.57 177.64 2jpq h LEU 45 N 0.19 0.00 0.00 2.57 3.38 -0.65 -0.73 115.31 120.06 2jpq h LEU 45 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2jpq h LEU 45 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jpq h LEU 45 CO -0.01 0.05 -0.70 -1.13 0.09 0.00 0.00 178.44 176.74 2jpq h ASN 46 N 0.00 0.00 0.00 -0.43 -0.73 -0.13 -3.43 115.58 110.87 2jpq h ASN 46 Ca -0.00 -0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2jpq h ASN 46 Cb 0.24 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.83 2jpq h ASN 46 CO 0.01 0.97 0.00 0.00 -0.37 0.00 0.00 177.43 178.03 2jpq n GLN 47 N -4.57 -0.23 -0.47 6.67 6.02 0.97 -4.71 117.38 121.06 2jpq n GLN 47 Ca -0.14 -0.59 0.05 0.00 -0.01 0.00 0.00 57.00 56.30 2jpq n GLN 47 Cb 0.38 -0.92 0.08 0.00 1.02 0.00 0.00 30.24 30.80 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 -0.08 0.68 -4.16 -1.09 5.12 -0.39 -5.01 116.66 111.74 2jpq n ARG 48 Ca 0.00 -2.01 -0.15 0.00 -1.93 0.00 0.00 57.85 53.76 2jpq n ARG 48 Cb 0.08 -0.96 -0.07 0.00 -1.16 0.00 0.00 32.46 30.36 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 -1.50 0.00 -0.03 1.55 0.11 -0.57 -4.85 120.40 115.11 2jpq s VAL 49 Ca 0.21 -1.79 -0.09 0.00 -2.93 0.00 0.00 61.98 57.38 2jpq s VAL 49 Cb 0.20 -2.52 -0.05 0.00 -1.53 0.00 0.00 36.38 32.48 2jpq s VAL 49 CO -0.02 0.00 0.27 0.00 -3.33 0.00 0.00 175.10 172.03 2jpq s ALA 50 N -3.51 3.81 0.15 1.54 0.00 -1.26 -4.95 121.76 117.53 2jpq s ALA 50 Ca 0.35 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 2jpq s ALA 50 Cb 0.02 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 21.03 2jpq s ALA 50 CO 0.20 0.58 1.73 0.00 0.00 0.00 0.00 175.76 178.27 2jpq h ALA 51 N 4.54 0.30 0.00 0.00 0.00 -1.97 0.60 119.26 122.73 2jpq h ALA 51 Ca -0.52 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jpq h ALA 51 Cb 1.22 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2jpq h ALA 51 CO 0.62 -0.36 0.00 0.43 0.00 0.00 0.00 179.25 179.93 2jpq n SER 52 N -5.10 0.52 -0.30 0.00 7.64 -1.26 -1.75 113.62 113.36 2jpq n SER 52 Ca -0.00 0.62 0.08 0.00 1.01 0.00 0.00 58.87 60.57 2jpq n SER 52 Cb 0.13 -0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 62.59 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 -2.06 1.76 0.28 1.43 -0.06 -0.50 -4.68 117.38 113.54 2jpq n GLN 53 Ca 0.03 -0.68 -0.12 0.00 -2.00 0.00 0.00 57.00 54.24 2jpq n GLN 53 Cb 0.24 -1.25 -0.05 0.00 -4.06 0.00 0.00 30.24 25.11 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 1.48 -0.72 -0.08 3.69 2.43 0.10 0.26 114.38 121.54 2jpq h ARG 54 Ca 0.00 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 2jpq h ARG 54 Cb 0.51 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2jpq h ARG 54 CO 0.00 -0.48 -0.37 -0.22 -1.51 0.00 0.00 179.97 177.39 2jpq h LYS 55 N -1.12 0.16 -0.44 0.20 3.64 -1.85 0.11 116.57 117.26 2jpq h LYS 55 Ca -0.08 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 2jpq h LYS 55 Cb 0.58 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2jpq h LYS 55 CO 0.13 0.51 -0.01 1.25 -2.27 0.00 0.00 179.45 179.06 2jpq h LEU 56 N 0.14 0.77 -0.96 5.20 6.46 -1.82 0.24 115.31 125.33 2jpq h LEU 56 Ca 0.02 -0.31 -0.10 0.00 -0.12 0.00 0.00 57.88 57.37 2jpq h LEU 56 Cb 0.72 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 2jpq h LEU 56 CO 0.05 0.89 -0.47 0.40 -0.62 0.00 0.00 178.44 178.69 2jpq h ILE 57 N 0.63 1.20 -0.26 4.05 2.04 -0.06 -0.48 117.51 124.63 2jpq h ILE 57 Ca 0.12 -1.70 -0.07 0.00 1.00 0.00 0.00 64.86 64.21 2jpq h ILE 57 Cb 0.50 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2jpq h ILE 57 CO 0.02 0.46 -0.13 0.00 0.00 0.00 0.00 178.15 178.51 2jpq h ALA 58 N 1.53 0.37 -0.76 1.87 0.00 -0.37 -1.85 119.26 120.05 2jpq h ALA 58 Ca -0.00 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.66 2jpq h ALA 58 Cb 0.92 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2jpq h ALA 58 CO 0.06 0.23 0.44 0.93 0.00 0.00 0.00 179.25 180.92 2jpq h GLU 59 N 0.28 0.79 0.09 0.00 4.39 -0.23 -0.81 114.58 119.08 2jpq h GLU 59 Ca 0.06 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.73 2jpq h GLU 59 Cb 0.63 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 2jpq h GLU 59 CO 0.04 0.52 -0.35 0.87 -1.16 0.00 0.00 179.01 178.92 2jpq h LYS 60 N 0.81 -0.54 -0.02 2.33 1.57 -0.91 0.19 116.57 120.00 2jpq h LYS 60 Ca 0.34 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.17 2jpq h LYS 60 Cb 0.19 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 2jpq h LYS 60 CO -0.18 -0.36 -0.11 0.35 -0.57 0.00 0.00 179.45 178.58 2jpq h PHE 61 N -0.56 -0.28 -0.17 -1.35 3.57 -0.94 0.16 116.94 117.38 2jpq h PHE 61 Ca 0.04 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2jpq h PHE 61 Cb 0.61 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2jpq h PHE 61 CO -0.33 -0.17 0.01 0.00 -2.23 0.00 0.00 178.31 175.59 2jpq h ALA 62 N 0.81 0.23 -0.30 2.41 0.00 -0.99 0.76 119.26 122.18 2jpq h ALA 62 Ca 0.05 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2jpq h ALA 62 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jpq h ALA 62 CO -0.12 -0.08 -0.33 1.96 0.00 0.00 0.00 179.25 180.68 2jpq h GLN 63 N 0.05 0.65 -0.52 0.00 1.08 -0.56 0.37 115.11 116.18 2jpq h GLN 63 Ca 0.05 -0.30 -0.10 0.00 -1.45 0.00 0.00 58.65 56.85 2jpq h GLN 63 Cb 0.35 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2jpq h GLN 63 CO 0.01 0.89 -0.08 0.00 -0.95 0.00 0.00 178.83 178.70 2jpq h ALA 64 N 1.09 0.70 -0.28 3.87 0.00 -0.88 0.09 119.26 123.85 2jpq h ALA 64 Ca 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2jpq h ALA 64 Cb 0.83 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2jpq h ALA 64 CO 0.07 0.59 0.07 1.25 0.00 0.00 0.00 179.25 181.23 2jpq h LEU 65 N 0.83 0.42 -0.82 0.00 5.85 -0.49 -1.61 115.31 119.50 2jpq h LEU 65 Ca 0.14 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 2jpq h LEU 65 Cb 0.63 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2jpq h LEU 65 CO 0.04 0.54 -0.45 -0.03 -0.34 0.00 0.00 178.44 178.20 2jpq h MET 66 N 0.29 0.32 0.00 1.25 4.05 -0.19 -0.61 114.93 120.04 2jpq h MET 66 Ca 0.09 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2jpq h MET 66 Cb 0.28 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2jpq h MET 66 CO -0.00 0.71 -0.00 0.66 0.23 0.00 0.00 176.91 178.51 2jpq h SER 67 N 0.26 0.00 0.34 1.39 4.64 -0.91 -2.75 113.55 116.52 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 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2jpq h SER 67 CO 0.07 0.00 -0.47 -1.20 -0.87 0.00 0.00 176.83 174.36 2jpq n SER 68 N -3.10 0.80 -4.61 4.97 7.64 -0.61 -4.80 113.62 113.90 2jpq n SER 68 Ca 0.03 -0.60 -0.43 0.00 1.01 0.00 0.00 58.87 58.88 2jpq n SER 68 Cb 0.48 0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.96 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 -2.81 3.71 0.09 -3.43 2.96 -0.29 -4.92 118.68 113.99 2jpq s LEU 69 Ca 0.15 1.11 -0.19 0.00 -0.22 0.00 0.00 54.13 54.99 2jpq s LEU 69 Cb 0.18 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 2jpq s LEU 69 CO 0.65 -1.34 1.33 -0.33 -1.32 0.00 0.00 176.35 175.34 2jpq h GLU 70 N 10.54 -0.06 -5.89 1.98 5.08 -1.87 -3.48 114.58 120.89 2jpq h GLU 70 Ca -0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2jpq h GLU 70 Cb 1.12 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2jpq h GLU 70 CO 1.05 -0.04 -1.00 0.25 -1.00 0.00 0.00 179.01 178.28 2jpq n THR 71 N -4.34 -6.11 -1.70 1.13 -2.24 -1.26 -4.86 114.28 94.90 2jpq n THR 71 Ca 0.00 1.01 -0.43 0.00 -2.27 0.00 0.00 64.05 62.36 2jpq n THR 71 Cb 0.17 -4.62 -0.03 0.00 -2.10 0.00 0.00 70.33 63.76 2jpq n THR 71 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2jpq n PRO 72 N 0.98 2.39 -4.39 -0.78 -0.02 -1.26 -4.99 135.00 126.93 2jpq n PRO 72 Ca -0.00 0.85 -0.31 0.00 -2.02 0.00 0.00 63.50 62.03 2jpq n PRO 72 Cb 0.32 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.09 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 -0.02 2.27 -0.31 -0.52 1.02 -1.26 -5.10 119.74 115.82 2jpq s LYS 73 Ca 0.69 -0.91 -0.04 0.00 0.02 0.00 0.00 55.97 55.74 2jpq s LYS 73 Cb -0.58 -2.36 0.04 0.00 -0.52 0.00 0.00 37.83 34.41 2jpq s LYS 73 CO 0.45 0.55 0.04 0.99 -0.92 0.00 0.00 175.35 176.46 2jpq s THR 74 N -1.09 3.36 0.00 2.17 2.01 -1.26 -4.93 115.64 115.91 2jpq s THR 74 Ca 0.19 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 61.01 2jpq s THR 74 Cb -0.11 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.53 2jpq s THR 74 CO 0.10 -0.08 0.00 1.41 -0.69 0.00 0.00 174.62 175.37 2jpq n HIS 75 N 4.72 0.00 -2.38 4.92 8.25 -1.26 -5.02 115.22 124.46 2jpq n HIS 75 Ca -0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.19 2jpq n HIS 75 Cb 0.45 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.55 2jpq n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2jpq n LEU 76 N 0.00 -1.21 0.01 2.41 4.32 -1.26 -4.81 117.00 116.45 2jpq n LEU 76 Ca 0.00 0.18 -0.01 0.00 -0.02 0.00 0.00 56.01 56.16 2jpq n LEU 76 Cb 0.00 -2.22 -0.00 0.00 -1.62 0.00 0.00 43.42 39.58 2jpq n LEU 76 CO 0.00 -0.17 -0.07 -0.62 -1.22 0.00 0.00 177.39 175.31 2jpq n GLU 77 N -2.77 0.05 0.00 3.23 -0.58 -1.26 -4.97 120.64 114.35 2jpq n GLU 77 Ca -0.16 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2jpq n GLU 77 Cb 0.61 -0.39 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 2jpq n GLU 77 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jpq n HIS 78 N -3.06 0.00 -0.52 -0.32 8.25 -1.26 -4.87 115.22 113.44 2jpq n HIS 78 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.51 2jpq n HIS 78 Cb 0.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 2jpq n HIS 78 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jpq n HIS 79 N 0.00 -1.34 -3.05 4.41 -0.00 -1.26 -4.88 115.22 109.10 2jpq n HIS 79 Ca 0.00 0.69 -0.39 0.00 -0.00 0.00 0.00 57.72 58.02 2jpq n HIS 79 Cb 0.00 -1.22 -0.05 0.00 -0.00 0.00 0.00 29.99 28.72 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 -2.12 3.78 0.00 4.41 -3.43 -1.26 -5.04 115.29 111.63 2jpq s HIS 80 Ca 0.00 1.45 0.00 0.00 -0.80 0.00 0.00 55.06 55.71 2jpq s HIS 80 Cb 0.00 -2.74 0.00 0.00 -1.43 0.00 0.00 32.58 28.41 2jpq s HIS 80 CO 0.00 0.38 0.00 0.72 -2.00 0.00 0.00 174.74 173.84 2jpq n HIS 81 N 2.38 0.00 0.00 0.38 8.25 -1.26 -5.08 115.22 119.89 2jpq n HIS 81 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2jpq n HIS 81 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2jpq n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jpq n HIS 82 N 0.00 0.00 -0.99 4.41 1.44 -1.26 -5.32 115.22 113.50 2jpq n HIS 82 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2jpq n HIS 82 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2jpq n HIS 82 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11