#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 1.36 -0.38 2.12 0.02 -1.26 -5.03 135.00 131.83 2jpq s PRO 2 Ca 0.00 0.44 -0.13 0.00 0.02 0.00 0.00 61.00 61.34 2jpq s PRO 2 Cb 0.00 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.69 2jpq s PRO 2 CO 0.00 -2.08 0.25 -1.50 -0.33 0.00 0.00 177.00 173.34 2jpq s ILE 3 N -3.19 4.94 -0.31 2.83 1.10 -1.26 -4.61 121.20 120.70 2jpq s ILE 3 Ca 0.63 -0.69 -0.05 0.00 -0.51 0.00 0.00 60.65 60.03 2jpq s ILE 3 Cb -0.15 -3.72 0.01 0.00 0.15 0.00 0.00 42.46 38.74 2jpq s ILE 3 CO 0.54 -0.23 0.35 0.41 -2.11 0.00 0.00 174.94 173.90 2jpq n THR 4 N 5.08 -6.44 -1.99 4.00 -1.04 -1.26 -4.96 114.28 107.67 2jpq n THR 4 Ca -0.12 0.19 -0.41 0.00 -2.04 0.00 0.00 64.05 61.68 2jpq n THR 4 Cb 0.47 -5.57 -0.02 0.00 -1.82 0.00 0.00 70.33 63.39 2jpq n THR 4 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2jpq s SER 5 N -2.18 6.61 -1.09 8.00 0.01 -1.26 -4.92 113.70 118.86 2jpq s SER 5 Ca 0.07 2.76 -0.20 0.00 1.31 0.00 0.00 55.95 59.89 2jpq s SER 5 Cb -0.02 -2.64 0.09 0.00 0.21 0.00 0.00 66.02 63.66 2jpq s SER 5 CO 0.41 -0.70 1.45 -0.54 0.41 0.00 0.00 173.24 174.26 2jpq s LYS 6 N -1.00 3.75 1.32 12.44 3.01 -1.26 -4.99 119.74 133.01 2jpq s LYS 6 Ca 0.56 -1.66 -0.21 0.00 -1.01 0.00 0.00 55.97 53.65 2jpq s LYS 6 Cb -0.43 -5.27 0.33 0.00 -1.01 0.00 0.00 37.83 31.46 2jpq s LYS 6 CO 0.49 -2.07 1.02 0.71 0.51 0.00 0.00 175.35 176.01 2jpq s TYR 7 N 3.85 -0.10 0.12 3.18 2.02 -1.26 -4.91 117.35 120.25 2jpq s TYR 7 Ca 0.45 0.54 -0.33 0.00 -0.37 0.00 0.00 57.07 57.35 2jpq s TYR 7 Cb -0.00 -3.18 -0.12 0.00 -0.40 0.00 0.00 41.96 38.26 2jpq s TYR 7 CO -0.04 -4.46 1.71 2.41 -1.57 0.00 0.00 175.55 173.60 2jpq n THR 8 N -5.22 0.18 -0.15 -0.71 -1.04 -1.26 -4.89 114.28 101.18 2jpq n THR 8 Ca 0.13 -0.03 -0.04 0.00 -2.04 0.00 0.00 64.05 62.07 2jpq n THR 8 Cb 0.60 -1.80 0.06 0.00 -1.82 0.00 0.00 70.33 67.36 2jpq n THR 8 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2jpq h ASP 9 N 7.21 0.21 -0.50 8.00 3.58 -2.00 -1.71 116.42 131.21 2jpq h ASP 9 Ca -0.46 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.09 2jpq h ASP 9 Cb 1.24 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.29 2jpq h ASP 9 CO 0.92 0.15 0.33 1.05 -2.88 0.00 0.00 179.24 178.81 2jpq h GLU 10 N 0.37 0.50 0.10 0.28 9.09 -1.99 0.30 114.58 123.23 2jpq h GLU 10 Ca 0.23 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.60 2jpq h GLU 10 Cb 0.22 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 2jpq h GLU 10 CO -0.22 0.33 -0.05 1.96 0.05 0.00 0.00 179.01 181.08 2jpq h GLN 11 N 0.51 -0.13 0.33 1.06 4.20 -1.71 -2.56 115.11 116.81 2jpq h GLN 11 Ca 0.21 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 2jpq h GLN 11 Cb 0.18 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2jpq h GLN 11 CO -0.05 0.19 -0.16 0.28 -0.67 0.00 0.00 178.83 178.42 2jpq h VAL 12 N -0.47 0.68 -0.30 -0.54 2.07 -0.83 -2.16 116.25 114.71 2jpq h VAL 12 Ca -0.01 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2jpq h VAL 12 Cb 0.39 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 2jpq h VAL 12 CO 0.02 0.01 -0.10 -0.08 0.02 0.00 0.00 177.57 177.44 2jpq h GLU 13 N -0.48 -0.04 0.00 1.57 4.81 -0.53 -0.92 114.58 118.99 2jpq h GLU 13 Ca -0.05 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 2jpq h GLU 13 Cb 0.36 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2jpq h GLU 13 CO 0.07 -0.03 -0.40 0.87 -0.73 0.00 0.00 179.01 178.80 2jpq h LYS 14 N -0.04 0.00 -0.19 1.92 1.57 -1.43 -0.31 116.57 118.09 2jpq h LYS 14 Ca 0.15 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.77 2jpq h LYS 14 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2jpq h LYS 14 CO -0.33 0.40 -0.50 0.82 -0.57 0.00 0.00 179.45 179.27 2jpq h ILE 15 N 0.00 1.32 -0.69 1.86 2.04 -1.12 -2.21 117.51 118.70 2jpq h ILE 15 Ca -0.00 -1.73 0.07 0.00 1.00 0.00 0.00 64.86 64.19 2jpq h ILE 15 Cb 1.27 1.90 -0.06 0.00 -0.74 0.00 0.00 36.82 39.19 2jpq h ILE 15 CO 0.05 0.54 0.38 -0.07 0.00 0.00 0.00 178.15 179.05 2jpq h LEU 16 N 0.37 0.56 -0.62 1.44 3.38 -0.89 -0.10 115.31 119.44 2jpq h LEU 16 Ca -0.01 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.04 2jpq h LEU 16 Cb 1.11 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 2jpq h LEU 16 CO 0.11 0.35 0.36 0.00 0.09 0.00 0.00 178.44 179.35 2jpq h ALA 17 N 1.37 0.82 -0.29 1.53 0.00 -0.95 0.10 119.26 121.84 2jpq h ALA 17 Ca 0.31 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 2jpq h ALA 17 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jpq h ALA 17 CO -0.20 0.05 -0.22 0.93 0.00 0.00 0.00 179.25 179.82 2jpq h GLU 18 N 0.68 0.66 -0.21 0.00 5.08 -0.82 0.51 114.58 120.48 2jpq h GLU 18 Ca 0.27 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jpq h GLU 18 Cb 0.12 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2jpq h GLU 18 CO -0.15 0.92 0.11 0.28 -1.00 0.00 0.00 179.01 179.17 2jpq h VAL 19 N 0.40 1.01 -0.15 3.13 2.07 -0.71 -0.29 116.25 121.71 2jpq h VAL 19 Ca 0.05 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2jpq h VAL 19 Cb 0.77 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2jpq h VAL 19 CO 0.06 0.04 -0.14 0.00 0.02 0.00 0.00 177.57 177.56 2jpq h ALA 20 N 1.10 1.49 -0.56 1.67 0.00 -0.76 -2.44 119.26 119.76 2jpq h ALA 20 Ca 0.08 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2jpq h ALA 20 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jpq h ALA 20 CO -0.05 0.36 -0.00 1.25 0.00 0.00 0.00 179.25 180.81 2jpq h LEU 21 N 0.23 0.97 -0.78 0.00 6.46 -0.12 -0.13 115.31 121.95 2jpq h LEU 21 Ca 0.05 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2jpq h LEU 21 Cb 0.39 -0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.02 2jpq h LEU 21 CO 0.02 1.04 0.49 0.58 -0.62 0.00 0.00 178.44 179.95 2jpq h VAL 22 N 0.87 1.21 0.40 1.05 2.07 -0.64 0.34 116.25 121.56 2jpq h VAL 22 Ca 0.16 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2jpq h VAL 22 Cb 0.55 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2jpq h VAL 22 CO 0.03 0.22 -0.19 -0.07 0.02 0.00 0.00 177.57 177.57 2jpq h LEU 23 N 1.06 -0.46 -1.71 2.57 3.38 -1.11 -2.07 115.31 116.98 2jpq h LEU 23 Ca 0.28 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 2jpq h LEU 23 Cb -0.07 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jpq h LEU 23 CO -0.06 -0.30 -0.16 -0.08 0.09 0.00 0.00 178.44 177.93 2jpq h GLU 24 N -0.58 0.00 -0.50 1.13 4.57 -0.75 0.27 114.58 118.72 2jpq h GLU 24 Ca -0.06 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 2jpq h GLU 24 Cb 0.44 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2jpq h GLU 24 CO 0.09 0.16 -0.09 -0.22 -1.18 0.00 0.00 179.01 177.77 2jpq h LYS 25 N 0.00 0.94 -0.67 1.92 3.64 -0.01 -2.98 116.57 119.41 2jpq h LYS 25 Ca -0.00 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2jpq h LYS 25 Cb 0.30 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2jpq h LYS 25 CO 0.02 1.00 0.00 0.72 -2.27 0.00 0.00 179.45 178.93 2jpq n HIS 26 N -4.23 1.26 -3.15 1.91 8.25 -0.81 -4.92 115.22 113.53 2jpq n HIS 26 Ca 0.01 -0.53 -0.20 0.00 -0.26 0.00 0.00 57.72 56.73 2jpq n HIS 26 Cb 0.38 -0.16 0.05 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 1.23 -0.98 -2.02 -1.41 0.00 -0.71 -4.92 120.51 111.71 2jpq n ALA 27 Ca 0.24 0.30 -0.43 0.00 0.00 0.00 0.00 53.44 53.56 2jpq n ALA 27 Cb 0.76 -4.11 -0.03 0.00 0.00 0.00 0.00 19.45 16.08 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 -3.18 3.38 0.83 0.00 0.00 0.85 -4.97 121.76 118.67 2jpq s ALA 28 Ca 0.37 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 2jpq s ALA 28 Cb -0.16 -3.83 0.09 0.00 0.00 0.00 0.00 23.12 19.22 2jpq s ALA 28 CO 0.46 -1.79 1.10 -1.12 0.00 0.00 0.00 175.76 174.41 2jpq s SER 29 N 4.21 3.99 0.33 0.00 0.01 -1.26 -4.67 113.70 116.31 2jpq s SER 29 Ca 0.75 1.75 0.10 0.00 1.31 0.00 0.00 55.95 59.87 2jpq s SER 29 Cb -0.29 -2.42 0.88 0.00 0.21 0.00 0.00 66.02 64.40 2jpq s SER 29 CO 0.30 -2.35 1.75 1.55 0.41 0.00 0.00 173.24 174.91 2jpq h PRO 30 N -1.35 0.58 0.09 12.44 0.13 -1.99 0.11 132.00 142.02 2jpq h PRO 30 Ca -0.46 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2jpq h PRO 30 Cb 1.25 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2jpq h PRO 30 CO 0.51 0.39 -0.04 0.93 -0.23 0.00 0.00 178.00 179.56 2jpq h GLU 31 N 0.60 -0.12 0.00 0.86 5.08 -2.00 -2.40 114.58 116.61 2jpq h GLU 31 Ca 0.61 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.95 2jpq h GLU 31 Cb 1.17 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2jpq h GLU 31 CO -0.41 -0.07 -0.16 1.25 -1.00 0.00 0.00 179.01 178.62 2jpq h LEU 32 N -0.14 0.00 0.63 1.33 5.85 -1.34 0.13 115.31 121.76 2jpq h LEU 32 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2jpq h LEU 32 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2jpq h LEU 32 CO 0.02 0.16 -0.34 0.74 -0.34 0.00 0.00 178.44 178.68 2jpq h THR 33 N 0.00 0.31 0.00 1.05 2.02 -0.38 0.32 112.91 116.23 2jpq h THR 33 Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 2jpq h THR 33 Cb 0.30 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2jpq h THR 33 CO 0.02 0.00 -0.45 0.25 0.37 0.00 0.00 175.52 175.71 2jpq h LEU 34 N -0.89 0.00 -0.54 2.58 6.46 -1.25 -2.47 115.31 119.21 2jpq h LEU 34 Ca -0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2jpq h LEU 34 Cb 0.70 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.61 2jpq h LEU 34 CO 0.11 0.45 0.34 -0.03 -0.62 0.00 0.00 178.44 178.69 2jpq h MET 35 N 0.00 0.72 -0.50 1.25 4.05 -0.44 -1.01 114.93 119.00 2jpq h MET 35 Ca -0.00 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2jpq h MET 35 Cb 0.92 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.54 2jpq h MET 35 CO 0.06 0.51 0.32 0.82 0.23 0.00 0.00 176.91 178.85 2jpq h ILE 36 N 0.73 1.10 -0.86 1.77 1.08 0.03 -2.31 117.51 119.04 2jpq h ILE 36 Ca 0.20 -0.22 0.07 0.00 -0.39 0.00 0.00 64.86 64.51 2jpq h ILE 36 Cb -0.04 0.39 -0.06 0.00 -3.07 0.00 0.00 36.82 34.04 2jpq h ILE 36 CO -0.04 0.12 0.53 0.00 -0.69 0.00 0.00 178.15 178.07 2jpq h ALA 37 N 1.20 1.19 -0.72 1.87 0.00 -0.97 0.21 119.26 122.03 2jpq h ALA 37 Ca 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2jpq h ALA 37 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2jpq h ALA 37 CO -0.06 0.25 0.31 0.78 0.00 0.00 0.00 179.25 180.53 2jpq h GLY 38 N 0.94 1.13 1.58 0.00 0.00 -0.88 -1.64 103.07 104.20 2jpq h GLY 38 Ca 0.38 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 2jpq h GLY 38 CO -0.19 0.55 -0.19 3.43 0.00 0.00 0.00 176.54 180.14 2jpq h ASN 39 N 1.04 0.49 0.35 0.19 2.35 -0.65 -1.01 115.58 118.35 2jpq h ASN 39 Ca 0.25 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2jpq h ASN 39 Cb 0.16 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2jpq h ASN 39 CO -0.03 0.70 -0.17 0.40 -1.65 0.00 0.00 177.43 176.68 2jpq h ILE 40 N 0.45 0.66 -0.72 2.81 1.08 -0.34 0.17 117.51 121.63 2jpq h ILE 40 Ca 0.08 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.42 2jpq h ILE 40 Cb 0.58 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 35.04 2jpq h ILE 40 CO 0.04 0.04 0.42 0.00 -0.69 0.00 0.00 178.15 177.96 2jpq h ALA 41 N 0.04 0.97 -0.44 1.87 0.00 -1.21 -0.71 119.26 119.78 2jpq h ALA 41 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2jpq h ALA 41 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2jpq h ALA 41 CO 0.08 0.13 0.19 1.15 0.00 0.00 0.00 179.25 180.80 2jpq h THR 42 N 0.78 1.20 -0.91 0.00 2.02 -1.03 -0.24 112.91 114.74 2jpq h THR 42 Ca 0.32 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.91 2jpq h THR 42 Cb 0.16 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 2jpq h THR 42 CO -0.17 0.22 0.60 -1.13 0.37 0.00 0.00 175.52 175.41 2jpq h ASN 43 N 0.57 1.02 -0.29 4.18 -0.73 -0.07 0.19 115.58 120.46 2jpq h ASN 43 Ca 0.15 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 2jpq h ASN 43 Cb 0.18 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 2jpq h ASN 43 CO -0.01 0.72 0.15 0.58 -0.37 0.00 0.00 177.43 178.50 2jpq h VAL 44 N 1.20 1.13 0.00 2.57 2.07 -0.83 -0.97 116.25 121.42 2jpq h VAL 44 Ca 0.34 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2jpq h VAL 44 Cb -0.09 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2jpq h VAL 44 CO -0.09 0.13 -0.04 -0.07 0.02 0.00 0.00 177.57 177.53 2jpq h LEU 45 N 0.34 0.00 0.29 2.57 3.38 0.03 -0.15 115.31 121.77 2jpq h LEU 45 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2jpq h LEU 45 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2jpq h LEU 45 CO -0.02 0.04 -0.14 0.78 0.09 0.00 0.00 178.44 179.19 2jpq h ASN 46 N 0.00 -0.33 0.00 -0.43 -0.26 0.05 -3.45 115.58 111.17 2jpq h ASN 46 Ca -0.00 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2jpq h ASN 46 Cb 0.09 0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 2jpq h ASN 46 CO 0.00 0.05 -0.99 0.00 -1.06 0.00 0.00 177.43 175.44 2jpq n GLN 47 N -4.62 0.00 -0.15 0.81 10.64 -0.44 -4.77 117.38 118.85 2jpq n GLN 47 Ca -0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.12 2jpq n GLN 47 Cb 0.15 -0.87 0.00 0.00 -0.86 0.00 0.00 30.24 28.67 2jpq n GLN 47 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2jpq n ARG 48 N -2.62 0.99 -3.92 2.61 1.74 -0.16 -4.77 116.66 110.53 2jpq n ARG 48 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 2jpq n ARG 48 Cb 0.50 -1.00 -0.04 0.00 -1.02 0.00 0.00 32.46 30.89 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 0.01 0.01 0.13 1.55 0.11 -0.67 -4.80 120.40 116.74 2jpq s VAL 49 Ca 0.00 -1.21 -0.04 0.00 -2.93 0.00 0.00 61.98 57.81 2jpq s VAL 49 Cb 0.00 -2.02 -0.05 0.00 -1.53 0.00 0.00 36.38 32.78 2jpq s VAL 49 CO 0.00 -0.04 0.35 0.00 -3.33 0.00 0.00 175.10 172.08 2jpq s ALA 50 N -3.97 3.83 0.09 1.54 0.00 -1.26 -4.98 121.76 117.02 2jpq s ALA 50 Ca 0.17 -0.62 -0.35 0.00 0.00 0.00 0.00 51.96 51.16 2jpq s ALA 50 Cb -0.01 -2.07 -0.16 0.00 0.00 0.00 0.00 23.12 20.88 2jpq s ALA 50 CO 0.06 0.68 1.57 0.00 0.00 0.00 0.00 175.76 178.07 2jpq h ALA 51 N 2.80 -1.05 0.00 0.00 0.00 -1.98 -0.37 119.26 118.67 2jpq h ALA 51 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2jpq h ALA 51 Cb 1.17 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2jpq h ALA 51 CO 0.73 -1.14 0.00 0.77 0.00 0.00 0.00 179.25 179.61 2jpq h SER 52 N -0.90 0.00 1.35 0.00 0.02 -2.03 -2.61 113.55 109.38 2jpq h SER 52 Ca -0.04 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2jpq h SER 52 Cb 0.82 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2jpq h SER 52 CO -0.13 0.00 -0.66 -0.61 -1.14 0.00 0.00 176.83 174.29 2jpq h GLN 53 N 0.00 0.00 -0.79 3.45 5.75 -1.79 -3.37 115.11 118.35 2jpq h GLN 53 Ca 0.00 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.61 2jpq h GLN 53 Cb 0.47 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.94 2jpq h GLN 53 CO 0.00 0.11 0.42 0.00 -2.65 0.00 0.00 178.83 176.70 2jpq h ARG 54 N 0.00 0.65 -0.57 1.69 3.08 -0.68 0.24 114.38 118.78 2jpq h ARG 54 Ca -0.02 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2jpq h ARG 54 Cb 1.13 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2jpq h ARG 54 CO 0.01 0.43 0.16 0.87 -1.07 0.00 0.00 179.97 180.37 2jpq h LYS 55 N 0.67 0.91 -0.10 0.04 1.79 -1.77 0.32 116.57 118.42 2jpq h LYS 55 Ca 0.40 -0.21 -0.09 0.00 -2.18 0.00 0.00 60.65 58.58 2jpq h LYS 55 Cb 0.46 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2jpq h LYS 55 CO -0.29 0.83 -0.28 -0.07 -1.08 0.00 0.00 179.45 178.56 2jpq h LEU 56 N 0.82 0.42 -0.13 2.94 3.38 -1.62 -2.57 115.31 118.55 2jpq h LEU 56 Ca 0.18 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.59 2jpq h LEU 56 Cb 0.32 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2jpq h LEU 56 CO -0.00 0.94 -0.08 0.40 0.09 0.00 0.00 178.44 179.79 2jpq h ILE 57 N -0.08 0.75 -0.35 1.22 1.08 -0.40 0.17 117.51 119.90 2jpq h ILE 57 Ca -0.01 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.40 2jpq h ILE 57 Cb 0.89 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 2jpq h ILE 57 CO 0.06 0.00 -0.01 0.00 -0.69 0.00 0.00 178.15 177.51 2jpq h ALA 58 N 1.04 0.48 -0.18 1.87 0.00 -1.02 -1.85 119.26 119.60 2jpq h ALA 58 Ca 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2jpq h ALA 58 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jpq h ALA 58 CO -0.18 0.26 -0.04 1.49 0.00 0.00 0.00 179.25 180.77 2jpq h GLU 59 N 0.44 0.34 -0.44 0.00 4.81 -1.23 -2.08 114.58 116.43 2jpq h GLU 59 Ca 0.10 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2jpq h GLU 59 Cb 0.48 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2jpq h GLU 59 CO 0.02 0.60 -0.02 0.87 -0.73 0.00 0.00 179.01 179.75 2jpq h LYS 60 N 0.05 0.72 -0.01 1.92 1.57 -0.68 0.54 116.57 120.68 2jpq h LYS 60 Ca 0.04 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2jpq h LYS 60 Cb 0.48 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2jpq h LYS 60 CO 0.02 0.75 0.00 0.35 -0.57 0.00 0.00 179.45 180.00 2jpq h PHE 61 N 0.67 0.01 -0.49 -1.35 3.57 -1.25 0.20 116.94 118.30 2jpq h PHE 61 Ca 0.13 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2jpq h PHE 61 Cb 0.45 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2jpq h PHE 61 CO 0.02 0.07 0.21 0.00 -2.23 0.00 0.00 178.31 176.38 2jpq h ALA 62 N 0.94 0.64 -0.43 2.41 0.00 -1.02 0.71 119.26 122.51 2jpq h ALA 62 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2jpq h ALA 62 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2jpq h ALA 62 CO -0.00 0.24 -0.02 0.37 0.00 0.00 0.00 179.25 179.84 2jpq h GLN 63 N 0.66 0.78 -0.23 0.00 5.75 -0.80 -1.37 115.11 119.89 2jpq h GLN 63 Ca 0.17 -0.26 -0.08 0.00 -0.15 0.00 0.00 58.65 58.34 2jpq h GLN 63 Cb 0.17 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2jpq h GLN 63 CO -0.02 0.85 -0.18 0.00 -2.65 0.00 0.00 178.83 176.83 2jpq h ALA 64 N 0.90 1.25 -0.72 3.38 0.00 -0.43 0.94 119.26 124.58 2jpq h ALA 64 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2jpq h ALA 64 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2jpq h ALA 64 CO 0.03 0.49 0.19 1.25 0.00 0.00 0.00 179.25 181.21 2jpq h LEU 65 N 0.37 1.07 -0.79 0.00 5.85 -0.51 0.14 115.31 121.45 2jpq h LEU 65 Ca 0.07 -0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 2jpq h LEU 65 Cb 0.54 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2jpq h LEU 65 CO 0.04 1.01 -0.47 0.24 -0.34 0.00 0.00 178.44 178.92 2jpq h MET 66 N 1.08 0.33 -0.09 1.25 2.86 -0.68 -1.06 114.93 118.62 2jpq h MET 66 Ca 0.23 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.56 2jpq h MET 66 Cb 0.35 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2jpq h MET 66 CO -0.00 0.73 -0.54 1.03 1.06 0.00 0.00 176.91 179.18 2jpq h SER 67 N 0.26 0.30 -0.37 1.22 0.87 -0.26 -2.73 113.55 112.85 2jpq h SER 67 Ca 0.02 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2jpq h SER 67 Cb 0.92 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2jpq h SER 67 CO 0.08 0.79 0.00 -0.24 -0.53 0.00 0.00 176.83 176.92 2jpq n SER 68 N -3.92 2.72 -4.59 6.23 2.88 0.44 -4.85 113.62 112.52 2jpq n SER 68 Ca -0.02 -1.91 -0.42 0.00 -1.33 0.00 0.00 58.87 55.19 2jpq n SER 68 Cb 0.58 -0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 2jpq n SER 68 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2jpq s LEU 69 N -1.36 3.51 -0.64 2.46 2.96 -0.42 -4.96 118.68 120.24 2jpq s LEU 69 Ca 0.36 0.69 -0.28 0.00 -0.22 0.00 0.00 54.13 54.68 2jpq s LEU 69 Cb 0.20 -3.36 0.03 0.00 0.50 0.00 0.00 46.19 43.55 2jpq s LEU 69 CO 0.28 -1.58 1.27 -0.70 -1.32 0.00 0.00 176.35 174.30 2jpq s GLU 70 N 5.26 3.35 0.01 1.98 2.56 -1.26 -5.00 118.70 125.59 2jpq s GLU 70 Ca 0.61 0.10 -0.20 0.00 0.00 0.00 0.00 54.97 55.47 2jpq s GLU 70 Cb -0.13 -4.10 -0.06 0.00 2.00 0.00 0.00 34.13 31.84 2jpq s GLU 70 CO 0.30 -1.91 0.59 0.95 -0.56 0.00 0.00 175.26 174.63 2jpq s THR 71 N 5.48 4.88 0.07 -1.70 -4.23 -1.26 -5.00 115.64 113.88 2jpq s THR 71 Ca 0.42 1.25 -0.27 0.00 -1.18 0.00 0.00 61.69 61.91 2jpq s THR 71 Cb -0.08 -3.93 -0.17 0.00 1.34 0.00 0.00 72.50 69.66 2jpq s THR 71 CO 0.21 0.44 1.64 -0.65 -0.54 0.00 0.00 174.62 175.72 2jpq h PRO 72 N 5.48 -0.36 -1.92 3.99 0.11 -2.06 -3.48 132.00 133.75 2jpq h PRO 72 Ca -0.46 0.02 0.26 0.00 0.11 0.00 0.00 66.00 65.94 2jpq h PRO 72 Cb 1.20 0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 2jpq h PRO 72 CO 0.69 -0.21 0.69 -1.59 -0.21 0.00 0.00 178.00 177.37 2jpq s LYS 73 N -5.93 0.77 0.27 1.05 -2.85 -1.26 -5.15 119.74 106.64 2jpq s LYS 73 Ca -0.15 -0.44 -0.29 0.00 -1.00 0.00 0.00 55.97 54.09 2jpq s LYS 73 Cb 0.05 0.25 -0.09 0.00 -2.06 0.00 0.00 37.83 35.97 2jpq s LYS 73 CO 0.64 -0.35 1.22 0.99 0.10 0.00 0.00 175.35 177.94 2jpq s THR 74 N -2.65 3.19 0.07 3.79 2.01 -1.26 -4.99 115.64 115.81 2jpq s THR 74 Ca 0.16 1.13 -0.28 0.00 0.31 0.00 0.00 61.69 63.01 2jpq s THR 74 Cb 0.01 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2jpq s THR 74 CO -0.00 0.24 0.90 -1.00 -0.69 0.00 0.00 174.62 174.07 2jpq s HIS 75 N -0.80 3.76 -0.39 4.92 0.09 -1.26 -4.98 115.29 116.63 2jpq s HIS 75 Ca 0.49 1.68 -0.28 0.00 -0.00 0.00 0.00 55.06 56.94 2jpq s HIS 75 Cb -0.35 -2.99 -0.01 0.00 -0.00 0.00 0.00 32.58 29.22 2jpq s HIS 75 CO 0.44 0.19 1.68 -1.17 -0.00 0.00 0.00 174.74 175.88 2jpq s LEU 76 N 0.17 3.50 -0.72 0.89 0.20 -1.26 -4.92 118.68 116.54 2jpq s LEU 76 Ca 0.45 1.02 -0.26 0.00 0.69 0.00 0.00 54.13 56.03 2jpq s LEU 76 Cb -0.22 -3.39 -0.02 0.00 -0.43 0.00 0.00 46.19 42.13 2jpq s LEU 76 CO 0.27 -1.71 1.82 -1.83 -0.29 0.00 0.00 176.35 174.61 2jpq s GLU 77 N 5.61 2.69 0.55 1.98 -1.05 -1.26 -4.80 118.70 122.42 2jpq s GLU 77 Ca 0.72 0.23 0.33 0.00 -0.15 0.00 0.00 54.97 56.10 2jpq s GLU 77 Cb -0.18 -4.59 1.44 0.00 -0.44 0.00 0.00 34.13 30.35 2jpq s GLU 77 CO 0.32 -2.84 2.02 1.12 0.95 0.00 0.00 175.26 176.82 2jpq h HIS 78 N 13.38 0.00 -3.05 4.83 2.07 -2.05 -3.37 115.15 126.95 2jpq h HIS 78 Ca -0.15 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 56.85 2jpq h HIS 78 Cb 1.10 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 30.68 2jpq h HIS 78 CO 1.11 0.04 -0.76 -1.58 -3.07 0.00 0.00 177.93 173.67 2jpq s HIS 79 N -3.77 0.78 -0.02 6.12 5.65 -1.26 -5.12 115.29 117.67 2jpq s HIS 79 Ca -0.00 -0.94 -0.30 0.00 0.25 0.00 0.00 55.06 54.07 2jpq s HIS 79 Cb 0.10 -1.06 -0.05 0.00 -1.18 0.00 0.00 32.58 30.39 2jpq s HIS 79 CO 0.54 -0.72 1.40 -3.38 -0.65 0.00 0.00 174.74 171.94 2jpq s HIS 80 N 1.94 2.79 -0.28 3.88 -0.00 -1.26 -4.97 115.29 117.39 2jpq s HIS 80 Ca 0.05 0.80 0.01 0.00 -0.00 0.00 0.00 55.06 55.92 2jpq s HIS 80 Cb -0.17 -3.66 0.17 0.00 -0.00 0.00 0.00 32.58 28.92 2jpq s HIS 80 CO -0.21 -2.45 0.47 -1.58 -0.00 0.00 0.00 174.74 170.98 2jpq s HIS 81 N 2.62 -1.25 0.11 0.38 5.65 -1.26 -5.15 115.29 116.39 2jpq s HIS 81 Ca 0.63 0.85 -0.20 0.00 0.25 0.00 0.00 55.06 56.59 2jpq s HIS 81 Cb -0.30 0.11 -0.07 0.00 -1.18 0.00 0.00 32.58 31.14 2jpq s HIS 81 CO 0.25 -0.93 0.62 -1.58 -0.65 0.00 0.00 174.74 172.46 2jpq s HIS 82 N 2.66 3.80 -1.50 3.88 2.46 -1.26 -5.24 115.29 120.09 2jpq s HIS 82 Ca 0.12 1.34 0.12 0.00 0.47 0.00 0.00 55.06 57.11 2jpq s HIS 82 Cb -0.13 -2.55 0.10 0.00 -0.13 0.00 0.00 32.58 29.86 2jpq s HIS 82 CO -0.24 0.55 0.88 -2.39 -2.47 0.00 0.00 174.74 171.06