#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 2.61 -0.08 0.03 0.04 -1.26 -4.93 135.00 131.41 2jpq s PRO 2 Ca 0.00 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.14 2jpq s PRO 2 Cb 0.00 -4.76 0.02 0.00 0.04 0.00 0.00 34.50 29.80 2jpq s PRO 2 CO 0.00 -3.07 -0.06 -1.50 0.04 0.00 0.00 177.00 172.41 2jpq s ILE 3 N 9.53 0.78 0.23 0.56 2.07 -1.26 -5.05 121.20 128.05 2jpq s ILE 3 Ca 0.68 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 2jpq s ILE 3 Cb -0.09 -0.81 0.00 0.00 0.13 0.00 0.00 42.46 41.69 2jpq s ILE 3 CO 0.09 0.30 0.00 0.41 -1.91 0.00 0.00 174.94 173.83 2jpq n THR 4 N 4.52 -2.84 -1.81 4.00 -1.04 -1.26 -4.87 114.28 110.98 2jpq n THR 4 Ca -0.17 1.02 -0.41 0.00 -2.04 0.00 0.00 64.05 62.45 2jpq n THR 4 Cb 0.51 -1.41 -0.01 0.00 -1.82 0.00 0.00 70.33 67.59 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 -2.62 6.39 0.00 8.00 0.01 -1.26 -4.93 113.70 119.29 2jpq s SER 5 Ca 0.00 2.97 -0.19 0.00 1.31 0.00 0.00 55.95 60.04 2jpq s SER 5 Cb 0.00 -2.65 -0.26 0.00 0.21 0.00 0.00 66.02 63.32 2jpq s SER 5 CO 0.00 -0.87 1.06 0.50 0.41 0.00 0.00 173.24 174.34 2jpq h LYS 6 N 4.01 0.43 0.00 12.44 1.63 -2.03 -3.50 116.57 129.56 2jpq h LYS 6 Ca -0.49 -0.53 0.00 0.00 -0.85 0.00 0.00 60.65 58.78 2jpq h LYS 6 Cb 1.23 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 2jpq h LYS 6 CO 0.72 1.19 0.00 0.66 -3.45 0.00 0.00 179.45 178.57 2jpq n TYR 7 N -4.12 -1.11 -3.06 1.91 4.01 -1.26 -4.54 117.16 108.99 2jpq n TYR 7 Ca -0.12 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.22 2jpq n TYR 7 Cb 0.76 0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 39.94 2jpq n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2jpq s THR 8 N 0.00 5.01 0.30 -0.72 -4.23 -1.26 -4.96 115.64 109.78 2jpq s THR 8 Ca 0.00 1.36 0.02 0.00 -1.18 0.00 0.00 61.69 61.89 2jpq s THR 8 Cb 0.00 -4.01 0.13 0.00 1.34 0.00 0.00 72.50 69.96 2jpq s THR 8 CO 0.00 0.15 1.81 -2.24 -0.54 0.00 0.00 174.62 173.80 2jpq h ASP 9 N 7.16 0.56 -0.54 3.99 2.03 -2.00 -1.27 116.42 126.34 2jpq h ASP 9 Ca -0.35 -0.13 -0.02 0.00 -0.73 0.00 0.00 57.03 55.81 2jpq h ASP 9 Cb 1.16 -0.15 -0.03 0.00 -0.83 0.00 0.00 39.33 39.49 2jpq h ASP 9 CO 0.78 0.67 0.29 -0.33 -1.03 0.00 0.00 179.24 179.62 2jpq h GLU 10 N 0.55 0.79 0.73 4.15 5.08 -1.97 -0.44 114.58 123.47 2jpq h GLU 10 Ca 0.11 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2jpq h GLU 10 Cb 0.44 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.54 2jpq h GLU 10 CO 0.02 0.60 -0.35 0.37 -1.00 0.00 0.00 179.01 178.65 2jpq h GLN 11 N 0.80 -0.94 0.07 2.33 4.15 -1.66 -2.56 115.11 117.29 2jpq h GLN 11 Ca 0.20 0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.71 2jpq h GLN 11 Cb 0.06 0.21 -0.05 0.00 0.21 0.00 0.00 27.48 27.91 2jpq h GLN 11 CO -0.03 -0.60 -0.39 0.28 -1.93 0.00 0.00 178.83 176.16 2jpq h VAL 12 N -1.17 0.20 -0.38 2.39 2.07 -1.24 -1.22 116.25 116.91 2jpq h VAL 12 Ca -0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.50 2jpq h VAL 12 Cb 0.77 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 2jpq h VAL 12 CO 0.16 0.00 -0.18 -0.08 0.02 0.00 0.00 177.57 177.49 2jpq h GLU 13 N -0.59 -0.11 0.00 1.57 4.81 -1.14 -0.91 114.58 118.22 2jpq h GLU 13 Ca 0.04 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2jpq h GLU 13 Cb 0.64 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2jpq h GLU 13 CO -0.26 -0.07 -0.42 0.87 -0.73 0.00 0.00 179.01 178.40 2jpq h LYS 14 N -0.11 0.00 -0.30 1.92 1.57 -1.30 -1.94 116.57 116.41 2jpq h LYS 14 Ca 0.19 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 2jpq h LYS 14 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2jpq h LYS 14 CO -0.45 0.00 -0.41 0.82 -0.57 0.00 0.00 179.45 178.84 2jpq h ILE 15 N 0.00 1.29 -0.85 1.86 2.04 -0.84 -2.53 117.51 118.47 2jpq h ILE 15 Ca 0.00 -1.59 0.07 0.00 1.00 0.00 0.00 64.86 64.34 2jpq h ILE 15 Cb 0.97 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 38.58 2jpq h ILE 15 CO 0.00 0.52 0.52 -0.07 0.00 0.00 0.00 178.15 179.12 2jpq h LEU 16 N 0.56 0.80 -0.36 1.44 3.38 -0.89 0.70 115.31 120.93 2jpq h LEU 16 Ca 0.03 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2jpq h LEU 16 Cb 1.00 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2jpq h LEU 16 CO 0.10 0.50 0.20 0.00 0.09 0.00 0.00 178.44 179.33 2jpq h ALA 17 N 1.42 0.45 -0.32 1.53 0.00 -1.23 0.26 119.26 121.38 2jpq h ALA 17 Ca 0.38 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 2jpq h ALA 17 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jpq h ALA 17 CO -0.19 -0.15 -0.05 0.93 0.00 0.00 0.00 179.25 179.79 2jpq h GLU 18 N 0.42 0.60 -0.00 0.00 5.08 -0.98 -0.95 114.58 118.75 2jpq h GLU 18 Ca 0.15 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2jpq h GLU 18 Cb 0.02 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2jpq h GLU 18 CO -0.08 0.77 0.00 0.28 -1.00 0.00 0.00 179.01 178.98 2jpq h VAL 19 N 0.38 1.03 -0.22 3.13 2.07 -0.62 -1.84 116.25 120.18 2jpq h VAL 19 Ca 0.08 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2jpq h VAL 19 Cb 0.53 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2jpq h VAL 19 CO 0.03 0.03 -0.04 0.00 0.02 0.00 0.00 177.57 177.60 2jpq h ALA 20 N 0.96 1.52 -0.49 1.67 0.00 -0.47 -2.08 119.26 120.36 2jpq h ALA 20 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2jpq h ALA 20 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2jpq h ALA 20 CO -0.00 0.35 0.14 1.25 0.00 0.00 0.00 179.25 180.98 2jpq h LEU 21 N 0.33 0.74 -0.76 0.00 6.46 -0.80 0.71 115.31 121.98 2jpq h LEU 21 Ca 0.07 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 2jpq h LEU 21 Cb 0.29 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 2jpq h LEU 21 CO 0.01 0.76 0.41 0.58 -0.62 0.00 0.00 178.44 179.59 2jpq h VAL 22 N 0.67 1.23 -0.27 1.05 2.07 -0.77 0.35 116.25 120.59 2jpq h VAL 22 Ca 0.16 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2jpq h VAL 22 Cb 0.30 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2jpq h VAL 22 CO -0.00 0.26 0.06 -0.07 0.02 0.00 0.00 177.57 177.84 2jpq h LEU 23 N 1.06 0.42 -0.79 2.57 3.38 -1.11 -1.27 115.31 119.57 2jpq h LEU 23 Ca 0.27 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2jpq h LEU 23 Cb 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2jpq h LEU 23 CO -0.04 0.55 -0.09 -0.08 0.09 0.00 0.00 178.44 178.87 2jpq h GLU 24 N 0.26 0.82 -0.64 1.13 4.57 -0.56 0.34 114.58 120.50 2jpq h GLU 24 Ca 0.08 -0.27 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 2jpq h GLU 24 Cb 0.30 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 2jpq h GLU 24 CO 0.00 0.88 0.19 -0.22 -1.18 0.00 0.00 179.01 178.68 2jpq h LYS 25 N 0.74 0.98 -0.21 1.92 3.64 -0.11 -1.73 116.57 121.81 2jpq h LYS 25 Ca 0.13 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2jpq h LYS 25 Cb 0.58 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2jpq h LYS 25 CO 0.04 0.85 0.00 0.72 -2.27 0.00 0.00 179.45 178.78 2jpq n HIS 26 N -4.27 0.27 -3.13 1.91 8.25 -0.50 -4.90 115.22 112.86 2jpq n HIS 26 Ca 0.05 -0.14 -0.21 0.00 -0.26 0.00 0.00 57.72 57.16 2jpq n HIS 26 Cb 0.22 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.99 -2.00 -1.41 0.00 -0.65 -4.90 120.51 110.75 2jpq n ALA 27 Ca 0.12 0.30 -0.43 0.00 0.00 0.00 0.00 53.44 53.44 2jpq n ALA 27 Cb 0.25 -4.11 -0.03 0.00 0.00 0.00 0.00 19.45 15.56 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 -3.18 3.23 0.61 0.00 0.00 0.07 -4.98 121.76 117.50 2jpq s ALA 28 Ca 0.36 0.60 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 2jpq s ALA 28 Cb -0.16 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 2jpq s ALA 28 CO 0.44 -2.02 1.09 0.45 0.00 0.00 0.00 175.76 175.73 2jpq s SER 29 N 4.77 5.51 0.18 0.00 0.15 -1.26 -4.61 113.70 118.45 2jpq s SER 29 Ca 0.77 1.97 -0.12 0.00 0.70 0.00 0.00 55.95 59.27 2jpq s SER 29 Cb -0.28 -2.55 0.21 0.00 -1.71 0.00 0.00 66.02 61.70 2jpq s SER 29 CO 0.31 -1.35 1.18 -2.65 1.20 0.00 0.00 173.24 171.93 2jpq n PRO 30 N -1.99 -0.16 -0.14 5.44 -0.01 -1.26 -0.36 135.00 136.51 2jpq n PRO 30 Ca 0.10 1.17 -0.06 0.00 -0.01 0.00 0.00 63.50 64.71 2jpq n PRO 30 Cb 0.52 -1.74 0.03 0.00 -0.01 0.00 0.00 33.50 32.30 2jpq n PRO 30 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 2jpq h GLU 31 N 0.00 0.44 -0.16 -0.52 4.39 -1.98 0.23 114.58 116.98 2jpq h GLU 31 Ca 0.28 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 2jpq h GLU 31 Cb 0.47 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2jpq h GLU 31 CO -0.76 0.29 0.03 1.25 -1.16 0.00 0.00 179.01 178.67 2jpq h LEU 32 N 0.46 0.25 -0.19 1.33 5.85 -1.06 0.76 115.31 122.71 2jpq h LEU 32 Ca 0.19 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2jpq h LEU 32 Cb 0.09 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2jpq h LEU 32 CO -0.13 0.43 -0.09 0.74 -0.34 0.00 0.00 178.44 179.04 2jpq h THR 33 N 0.05 0.71 -0.18 1.05 2.02 -0.31 0.24 112.91 116.49 2jpq h THR 33 Ca 0.05 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.10 2jpq h THR 33 Cb 0.28 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2jpq h THR 33 CO 0.00 0.00 -0.44 0.25 0.37 0.00 0.00 175.52 175.71 2jpq h LEU 34 N -0.07 0.47 -1.03 2.58 6.46 -0.48 -2.10 115.31 121.14 2jpq h LEU 34 Ca 0.10 -0.22 -0.10 0.00 -0.12 0.00 0.00 57.88 57.55 2jpq h LEU 34 Cb 0.22 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 2jpq h LEU 34 CO -0.23 0.85 -0.46 -0.03 -0.62 0.00 0.00 178.44 177.94 2jpq h MET 35 N 0.36 0.04 -0.07 1.25 4.05 -0.42 -0.82 114.93 119.32 2jpq h MET 35 Ca 0.03 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2jpq h MET 35 Cb 0.91 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.70 2jpq h MET 35 CO 0.08 0.50 -0.04 0.82 0.23 0.00 0.00 176.91 178.50 2jpq h ILE 36 N 0.04 0.88 -0.68 1.77 1.08 0.12 -0.64 117.51 120.08 2jpq h ILE 36 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2jpq h ILE 36 Cb 0.83 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 2jpq h ILE 36 CO 0.06 0.00 0.39 0.00 -0.69 0.00 0.00 178.15 177.91 2jpq h ALA 37 N 1.04 1.42 -0.68 1.87 0.00 -1.00 -0.84 119.26 121.07 2jpq h ALA 37 Ca 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jpq h ALA 37 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2jpq h ALA 37 CO -0.09 0.49 0.41 0.78 0.00 0.00 0.00 179.25 180.84 2jpq h GLY 38 N 0.98 0.98 1.01 0.00 0.00 -0.72 -1.33 103.07 104.00 2jpq h GLY 38 Ca 0.24 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 2jpq h GLY 38 CO -0.04 0.39 0.24 3.43 0.00 0.00 0.00 176.54 180.57 2jpq h ASN 39 N 0.92 0.90 -0.06 0.19 2.35 -0.36 -0.99 115.58 118.54 2jpq h ASN 39 Ca 0.24 -0.18 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2jpq h ASN 39 Cb -0.03 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 2jpq h ASN 39 CO -0.05 0.84 -0.20 0.40 -1.65 0.00 0.00 177.43 176.78 2jpq h ILE 40 N 0.91 0.51 -0.62 2.81 1.08 -0.69 0.25 117.51 121.77 2jpq h ILE 40 Ca 0.21 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.68 2jpq h ILE 40 Cb 0.23 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 2jpq h ILE 40 CO -0.01 0.00 0.39 0.00 -0.69 0.00 0.00 178.15 177.83 2jpq h ALA 41 N 0.66 0.79 -0.09 1.87 0.00 -1.13 -1.37 119.26 120.00 2jpq h ALA 41 Ca 0.08 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2jpq h ALA 41 Cb 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jpq h ALA 41 CO -0.23 0.26 -0.02 1.15 0.00 0.00 0.00 179.25 180.41 2jpq h THR 42 N 0.84 0.92 -0.45 0.00 2.02 -0.57 0.98 112.91 116.65 2jpq h THR 42 Ca 0.22 -0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.45 2jpq h THR 42 Cb -0.04 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2jpq h THR 42 CO -0.04 0.00 0.20 0.78 0.37 0.00 0.00 175.52 176.83 2jpq h ASN 43 N 0.01 0.27 -0.69 4.18 -0.26 -0.26 -1.07 115.58 117.75 2jpq h ASN 43 Ca 0.04 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 2jpq h ASN 43 Cb 0.06 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.28 2jpq h ASN 43 CO -0.08 0.19 0.40 0.58 -1.06 0.00 0.00 177.43 177.45 2jpq h VAL 44 N 0.40 1.21 0.00 2.81 2.07 -0.90 0.37 116.25 122.21 2jpq h VAL 44 Ca 0.20 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2jpq h VAL 44 Cb 0.14 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2jpq h VAL 44 CO -0.17 0.23 -0.06 -0.07 0.02 0.00 0.00 177.57 177.52 2jpq h LEU 45 N 0.95 0.00 0.04 2.57 3.38 -0.02 0.36 115.31 122.59 2jpq h LEU 45 Ca 0.25 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.94 2jpq h LEU 45 Cb 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2jpq h LEU 45 CO -0.04 0.06 -1.51 0.59 0.09 0.00 0.00 178.44 177.63 2jpq n ASN 46 N -3.55 1.95 -0.92 -0.43 5.03 -0.44 -4.68 115.26 112.21 2jpq n ASN 46 Ca -0.02 0.36 0.04 0.00 0.87 0.00 0.00 54.58 55.82 2jpq n ASN 46 Cb 0.17 -0.94 0.06 0.00 -1.02 0.00 0.00 39.78 38.05 2jpq n ASN 46 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jpq n GLN 47 N -4.13 0.42 0.00 3.52 10.64 0.12 -4.82 117.38 123.12 2jpq n GLN 47 Ca -0.32 -2.02 0.00 0.00 -1.83 0.00 0.00 57.00 52.82 2jpq n GLN 47 Cb 0.80 -0.58 0.00 0.00 -0.86 0.00 0.00 30.24 29.60 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 -0.13 0.00 -3.12 2.61 5.12 0.25 -4.92 116.66 116.47 2jpq n ARG 48 Ca 0.08 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.69 2jpq n ARG 48 Cb 0.89 -0.45 -0.04 0.00 -1.16 0.00 0.00 32.46 31.70 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 -1.00 4.85 0.60 1.55 0.11 0.10 -5.02 120.40 121.59 2jpq s VAL 49 Ca 0.00 0.53 -0.17 0.00 -2.93 0.00 0.00 61.98 59.40 2jpq s VAL 49 Cb 0.00 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 2jpq s VAL 49 CO 0.00 -0.33 1.12 0.00 -3.33 0.00 0.00 175.10 172.56 2jpq s ALA 50 N -2.13 2.58 0.14 1.54 0.00 -1.26 -4.85 121.76 117.78 2jpq s ALA 50 Ca 0.49 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.97 2jpq s ALA 50 Cb -0.11 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2jpq s ALA 50 CO 0.26 -1.03 1.79 0.00 0.00 0.00 0.00 175.76 176.79 2jpq h ALA 51 N 0.61 0.42 0.00 0.00 0.00 -1.97 0.17 119.26 118.48 2jpq h ALA 51 Ca -0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2jpq h ALA 51 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jpq h ALA 51 CO 0.55 -0.15 -0.35 1.03 0.00 0.00 0.00 179.25 180.33 2jpq h SER 52 N 0.41 0.00 0.36 0.00 0.87 -2.03 -2.36 113.55 110.80 2jpq h SER 52 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2jpq h SER 52 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2jpq h SER 52 CO -0.05 0.35 -0.27 1.67 -0.53 0.00 0.00 176.83 177.99 2jpq n GLN 53 N -4.06 0.57 0.17 2.24 -0.06 -0.81 -4.38 117.38 111.04 2jpq n GLN 53 Ca -0.02 -0.30 -0.06 0.00 -2.00 0.00 0.00 57.00 54.62 2jpq n GLN 53 Cb 0.39 -1.49 -0.03 0.00 -4.06 0.00 0.00 30.24 25.05 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 0.73 -0.41 -0.01 3.69 2.43 -0.13 0.30 114.38 120.99 2jpq h ARG 54 Ca 0.00 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 2jpq h ARG 54 Cb 0.47 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2jpq h ARG 54 CO 0.00 -0.27 -0.62 -0.22 -1.51 0.00 0.00 179.97 177.35 2jpq h LYS 55 N -0.42 0.03 -0.35 0.20 3.64 -1.80 -2.38 116.57 115.49 2jpq h LYS 55 Ca -0.04 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2jpq h LYS 55 Cb 0.32 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2jpq h LYS 55 CO 0.07 0.64 0.15 1.25 -2.27 0.00 0.00 179.45 179.29 2jpq h LEU 56 N 0.02 0.48 -0.85 5.20 6.46 -1.74 -1.61 115.31 123.27 2jpq h LEU 56 Ca -0.01 -0.16 -0.08 0.00 -0.12 0.00 0.00 57.88 57.51 2jpq h LEU 56 Cb 1.10 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.89 2jpq h LEU 56 CO 0.08 0.50 -0.40 -0.29 -0.62 0.00 0.00 178.44 177.72 2jpq h ILE 57 N 0.42 0.90 -0.18 4.05 2.10 -0.35 0.54 117.51 125.00 2jpq h ILE 57 Ca 0.12 -1.60 0.00 0.00 1.08 0.00 0.00 64.86 64.46 2jpq h ILE 57 Cb 0.17 1.98 -0.01 0.00 -1.09 0.00 0.00 36.82 37.87 2jpq h ILE 57 CO -0.01 0.39 0.11 0.00 -1.08 0.00 0.00 178.15 177.56 2jpq h ALA 58 N 1.60 0.22 -0.16 0.18 0.00 -0.87 0.23 119.26 120.47 2jpq h ALA 58 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jpq h ALA 58 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2jpq h ALA 58 CO 0.05 -0.30 -0.02 0.93 0.00 0.00 0.00 179.25 179.91 2jpq h GLU 59 N 0.23 0.29 -0.38 0.00 5.08 -1.04 -1.97 114.58 116.78 2jpq h GLU 59 Ca 0.07 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2jpq h GLU 59 Cb -0.02 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 2jpq h GLU 59 CO -0.02 0.54 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.24 2jpq h LYS 60 N 0.01 0.02 -0.05 2.33 3.64 -0.69 0.31 116.57 122.14 2jpq h LYS 60 Ca 0.04 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2jpq h LYS 60 Cb 0.43 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2jpq h LYS 60 CO 0.01 0.02 -0.04 0.35 -2.27 0.00 0.00 179.45 177.52 2jpq h PHE 61 N 0.02 0.14 -0.67 1.91 3.57 -0.56 -2.15 116.94 119.20 2jpq h PHE 61 Ca 0.18 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2jpq h PHE 61 Cb 0.28 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2jpq h PHE 61 CO -0.32 0.54 0.44 0.00 -2.23 0.00 0.00 178.31 176.74 2jpq h ALA 62 N 0.57 0.85 -0.35 2.41 0.00 -1.10 0.41 119.26 122.05 2jpq h ALA 62 Ca 0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2jpq h ALA 62 Cb 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jpq h ALA 62 CO 0.01 0.27 -0.25 1.96 0.00 0.00 0.00 179.25 181.23 2jpq h GLN 63 N 0.90 0.71 -0.70 0.00 4.20 -0.98 -0.53 115.11 118.72 2jpq h GLN 63 Ca 0.25 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 2jpq h GLN 63 Cb -0.09 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2jpq h GLN 63 CO -0.06 0.89 0.20 0.00 -0.67 0.00 0.00 178.83 179.19 2jpq h ALA 64 N 1.10 0.91 -0.74 3.87 0.00 -0.85 0.14 119.26 123.70 2jpq h ALA 64 Ca 0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2jpq h ALA 64 Cb 0.75 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2jpq h ALA 64 CO 0.06 0.61 0.27 1.25 0.00 0.00 0.00 179.25 181.44 2jpq h LEU 65 N 1.03 1.04 -0.72 0.00 5.85 -0.58 -1.60 115.31 120.32 2jpq h LEU 65 Ca 0.22 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 2jpq h LEU 65 Cb 0.33 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2jpq h LEU 65 CO -0.00 0.94 -0.62 0.24 -0.34 0.00 0.00 178.44 178.66 2jpq h MET 66 N 1.07 0.00 0.00 1.25 2.86 -0.72 -1.87 114.93 117.52 2jpq h MET 66 Ca 0.24 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 2jpq h MET 66 Cb 0.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2jpq h MET 66 CO -0.02 0.62 -0.26 1.03 1.06 0.00 0.00 176.91 179.34 2jpq h SER 67 N 0.00 0.00 -0.64 1.22 0.87 -0.41 -2.61 113.55 111.98 2jpq h SER 67 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2jpq h SER 67 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2jpq h SER 67 CO 0.08 0.26 0.00 -1.20 -0.53 0.00 0.00 176.83 175.44 2jpq n SER 68 N -3.37 3.61 -4.58 6.23 7.64 -0.63 -4.89 113.62 117.62 2jpq n SER 68 Ca 0.00 -1.99 -0.41 0.00 1.01 0.00 0.00 58.87 57.48 2jpq n SER 68 Cb 0.47 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.08 3.43 -0.46 -3.43 0.20 -0.75 -4.94 118.68 111.66 2jpq s LEU 69 Ca 0.45 0.64 -0.28 0.00 0.69 0.00 0.00 54.13 55.63 2jpq s LEU 69 Cb 0.24 -3.13 -0.02 0.00 -0.43 0.00 0.00 46.19 42.84 2jpq s LEU 69 CO 0.31 -1.81 1.82 -1.61 -0.29 0.00 0.00 176.35 174.77 2jpq s GLU 70 N 5.79 3.01 -0.58 1.98 2.02 -1.26 -4.91 118.70 124.74 2jpq s GLU 70 Ca 0.64 1.05 0.04 0.00 0.02 0.00 0.00 54.97 56.72 2jpq s GLU 70 Cb -0.15 -4.28 0.16 0.00 0.10 0.00 0.00 34.13 29.97 2jpq s GLU 70 CO 0.27 -2.25 0.40 -0.08 0.02 0.00 0.00 175.26 173.62 2jpq s THR 71 N 7.88 2.08 -0.45 3.63 -1.32 -1.26 -5.08 115.64 121.13 2jpq s THR 71 Ca 0.74 -3.58 -0.21 0.00 -1.21 0.00 0.00 61.69 57.42 2jpq s THR 71 Cb -0.17 -2.39 0.03 0.00 -1.51 0.00 0.00 72.50 68.45 2jpq s THR 71 CO 0.28 -1.02 0.67 -2.16 -2.21 0.00 0.00 174.62 170.18 2jpq s PRO 72 N -0.75 3.29 0.00 7.08 0.05 -1.26 -4.91 135.00 138.50 2jpq s PRO 72 Ca 0.25 -0.36 0.07 0.00 0.05 0.00 0.00 61.00 61.00 2jpq s PRO 72 Cb -0.07 -3.96 0.26 0.00 0.05 0.00 0.00 34.50 30.78 2jpq s PRO 72 CO -0.13 -1.05 1.19 1.63 0.05 0.00 0.00 177.00 178.68 2jpq n LYS 73 N 6.36 1.30 -2.23 4.56 5.02 -1.26 -4.81 118.16 127.10 2jpq n LYS 73 Ca -0.01 -0.47 -0.40 0.00 -2.02 0.00 0.00 58.31 55.41 2jpq n LYS 73 Cb 0.48 -1.14 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 2jpq n LYS 73 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jpq s THR 74 N -1.84 3.56 -0.23 -0.18 -4.23 -1.26 -4.70 115.64 106.76 2jpq s THR 74 Ca 0.12 0.41 0.02 0.00 -1.18 0.00 0.00 61.69 61.06 2jpq s THR 74 Cb 0.06 -4.24 0.05 0.00 1.34 0.00 0.00 72.50 69.71 2jpq s THR 74 CO 0.09 -1.11 0.88 1.57 -0.54 0.00 0.00 174.62 175.50 2jpq n HIS 75 N 10.98 0.06 1.36 3.99 -0.00 -1.26 -4.55 115.22 125.80 2jpq n HIS 75 Ca 0.15 -0.32 0.15 0.00 -0.00 0.00 0.00 57.72 57.70 2jpq n HIS 75 Cb 0.50 -0.03 0.70 0.00 -0.00 0.00 0.00 29.99 31.16 2jpq n HIS 75 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2jpq n LEU 76 N -0.14 0.12 -4.56 0.27 7.94 -1.26 -4.77 117.00 114.60 2jpq n LEU 76 Ca 0.02 0.24 -0.30 0.00 -1.11 0.00 0.00 56.01 54.86 2jpq n LEU 76 Cb 0.20 -0.29 -0.10 0.00 0.53 0.00 0.00 43.42 43.77 2jpq n LEU 76 CO 0.02 0.02 -0.43 -1.61 -1.11 0.00 0.00 177.39 174.28 2jpq s GLU 77 N -2.61 2.06 -0.11 1.96 2.02 -1.26 -5.12 118.70 115.63 2jpq s GLU 77 Ca 0.26 -1.06 -0.01 0.00 0.02 0.00 0.00 54.97 54.18 2jpq s GLU 77 Cb 0.20 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 2jpq s GLU 77 CO 0.48 0.50 -0.07 -1.01 0.02 0.00 0.00 175.26 175.19 2jpq s HIS 78 N -1.22 2.95 -1.15 1.61 3.76 -1.26 -4.55 115.29 115.44 2jpq s HIS 78 Ca 0.21 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 2jpq s HIS 78 Cb -0.11 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.75 2jpq s HIS 78 CO 0.13 0.10 0.00 -2.39 -0.85 0.00 0.00 174.74 171.73 2jpq n HIS 79 N 2.95 -0.71 -1.16 1.40 -0.00 -1.26 -4.73 115.22 111.71 2jpq n HIS 79 Ca -0.18 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.64 2jpq n HIS 79 Cb 0.53 -2.42 0.14 0.00 -0.00 0.00 0.00 29.99 28.24 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 -2.15 0.00 -2.16 -1.40 -0.00 -1.26 -4.56 115.22 103.69 2jpq n HIS 80 Ca -0.12 -1.03 0.01 0.00 -0.00 0.00 0.00 57.72 56.58 2jpq n HIS 80 Cb 0.43 -0.16 0.09 0.00 -0.00 0.00 0.00 29.99 30.35 2jpq n HIS 80 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jpq n HIS 81 N -1.36 0.49 -3.79 1.57 -0.00 -1.26 -5.02 115.22 105.85 2jpq n HIS 81 Ca 0.16 -1.27 -0.36 0.00 0.46 0.00 0.00 57.72 56.71 2jpq n HIS 81 Cb 0.65 -0.22 -0.10 0.00 -0.12 0.00 0.00 29.99 30.20 2jpq n HIS 81 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jpq s HIS 82 N -2.08 3.26 -2.15 1.57 5.04 -1.26 -5.16 115.29 114.50 2jpq s HIS 82 Ca 0.37 0.08 0.31 0.00 -1.54 0.00 0.00 55.06 54.27 2jpq s HIS 82 Cb 0.38 -2.20 1.65 0.00 0.04 0.00 0.00 32.58 32.44 2jpq s HIS 82 CO -0.09 0.03 2.08 -2.39 -2.34 0.00 0.00 174.74 172.03