#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 2.21 -1.44 0.03 0.02 -1.26 -4.86 135.00 129.70 2jpq s PRO 2 Ca 0.00 1.44 -0.14 0.00 0.02 0.00 0.00 61.00 62.32 2jpq s PRO 2 Cb 0.00 -4.56 0.05 0.00 0.02 0.00 0.00 34.50 30.01 2jpq s PRO 2 CO 0.00 -3.15 2.17 0.44 -0.33 0.00 0.00 177.00 176.13 2jpq n ILE 3 N 7.95 3.55 -3.42 2.83 -6.64 -1.26 -4.94 119.36 117.43 2jpq n ILE 3 Ca 0.35 -3.18 -0.38 0.00 -1.77 0.00 0.00 62.75 57.77 2jpq n ILE 3 Cb 0.54 -2.58 -0.06 0.00 -1.44 0.00 0.00 39.64 36.10 2jpq n ILE 3 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 2jpq s THR 4 N 3.04 5.01 0.22 7.28 2.01 -1.26 -5.04 115.64 126.90 2jpq s THR 4 Ca 0.47 0.93 -0.31 0.00 0.31 0.00 0.00 61.69 63.09 2jpq s THR 4 Cb 0.13 -3.77 -0.11 0.00 0.01 0.00 0.00 72.50 68.76 2jpq s THR 4 CO -0.07 0.52 1.58 -0.55 -0.69 0.00 0.00 174.62 175.40 2jpq s SER 5 N -0.70 6.52 0.12 3.53 0.15 -1.26 -4.90 113.70 117.15 2jpq s SER 5 Ca 0.25 2.74 0.09 0.00 0.70 0.00 0.00 55.95 59.74 2jpq s SER 5 Cb -0.17 -2.61 -0.16 0.00 -1.71 0.00 0.00 66.02 61.37 2jpq s SER 5 CO 0.14 -0.85 1.21 0.50 1.20 0.00 0.00 173.24 175.44 2jpq h LYS 6 N 6.07 0.00 0.00 5.44 3.64 -2.01 -3.49 116.57 126.22 2jpq h LYS 6 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2jpq h LYS 6 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2jpq h LYS 6 CO 0.87 0.82 0.00 0.66 -2.27 0.00 0.00 179.45 179.53 2jpq n TYR 7 N -3.27 -0.57 -2.96 1.91 4.01 -1.26 -4.54 117.16 110.48 2jpq n TYR 7 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 2jpq n TYR 7 Cb 0.92 0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 40.05 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 0.00 4.95 0.12 -0.72 2.01 -1.26 -4.98 115.64 115.76 2jpq s THR 8 Ca 0.00 1.54 -0.28 0.00 0.31 0.00 0.00 61.69 63.26 2jpq s THR 8 Cb 0.00 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 2jpq s THR 8 CO 0.00 0.12 1.61 0.44 -0.69 0.00 0.00 174.62 176.10 2jpq h ASP 9 N 7.14 -0.99 -0.69 3.53 5.19 -2.01 -2.22 116.42 126.36 2jpq h ASP 9 Ca -0.34 0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.21 2jpq h ASP 9 Cb 1.16 0.39 -0.04 0.00 0.18 0.00 0.00 39.33 41.02 2jpq h ASP 9 CO 0.80 -0.41 0.46 1.05 -3.12 0.00 0.00 179.24 178.02 2jpq h GLU 10 N -0.53 0.86 -0.05 3.56 9.09 -1.97 -0.19 114.58 125.36 2jpq h GLU 10 Ca 0.04 -0.05 0.02 0.00 0.05 0.00 0.00 59.36 59.42 2jpq h GLU 10 Cb 0.58 -0.19 -0.02 0.00 -1.65 0.00 0.00 28.75 27.47 2jpq h GLU 10 CO -0.24 0.57 -0.05 1.96 0.05 0.00 0.00 179.01 181.30 2jpq h GLN 11 N 0.89 -0.07 0.18 1.06 1.08 -1.83 0.27 115.11 116.69 2jpq h GLN 11 Ca 0.27 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 2jpq h GLN 11 Cb -0.02 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2jpq h GLN 11 CO -0.07 -0.05 -0.09 0.28 -0.95 0.00 0.00 178.83 177.96 2jpq h VAL 12 N -0.07 0.90 -0.75 -0.54 2.07 -1.09 -2.55 116.25 114.22 2jpq h VAL 12 Ca 0.04 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2jpq h VAL 12 Cb 0.13 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2jpq h VAL 12 CO -0.09 0.09 0.42 -0.08 0.02 0.00 0.00 177.57 177.93 2jpq h GLU 13 N -0.43 1.04 -0.33 1.57 4.81 -0.87 -2.03 114.58 118.33 2jpq h GLU 13 Ca -0.02 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 58.93 2jpq h GLU 13 Cb 0.34 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 2jpq h GLU 13 CO 0.04 0.76 -0.43 0.87 -0.73 0.00 0.00 179.01 179.52 2jpq h LYS 14 N 1.03 0.87 -0.50 1.92 1.79 -0.49 -1.38 116.57 119.81 2jpq h LYS 14 Ca 0.26 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2jpq h LYS 14 Cb 0.02 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2jpq h LYS 14 CO -0.04 1.14 0.33 0.82 -1.08 0.00 0.00 179.45 180.61 2jpq h ILE 15 N 0.66 1.14 -0.36 1.86 2.04 -1.26 -0.85 117.51 120.74 2jpq h ILE 15 Ca 0.04 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.67 2jpq h ILE 15 Cb 1.03 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2jpq h ILE 15 CO 0.10 0.13 0.16 -0.07 0.00 0.00 0.00 178.15 178.48 2jpq h LEU 16 N 0.68 0.22 -1.01 1.44 3.38 -1.22 -0.84 115.31 117.96 2jpq h LEU 16 Ca 0.18 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2jpq h LEU 16 Cb -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2jpq h LEU 16 CO -0.04 0.17 0.41 0.00 0.09 0.00 0.00 178.44 179.07 2jpq h ALA 17 N 1.20 1.24 0.27 1.53 0.00 -0.85 -0.91 119.26 121.75 2jpq h ALA 17 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jpq h ALA 17 Cb 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jpq h ALA 17 CO -0.13 0.60 -0.13 0.93 0.00 0.00 0.00 179.25 180.53 2jpq h GLU 18 N 1.11 -0.35 -0.20 0.00 4.39 -0.79 -2.56 114.58 116.19 2jpq h GLU 18 Ca 0.28 0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.04 2jpq h GLU 18 Cb 0.06 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 2jpq h GLU 18 CO -0.04 -0.04 -0.03 0.28 -1.16 0.00 0.00 179.01 178.02 2jpq h VAL 19 N -0.69 0.83 -0.71 3.13 2.07 -0.98 -1.02 116.25 118.88 2jpq h VAL 19 Ca -0.04 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2jpq h VAL 19 Cb 0.47 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2jpq h VAL 19 CO 0.06 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.08 2jpq h ALA 20 N 1.18 0.94 -0.65 1.67 0.00 -1.24 -0.76 119.26 120.41 2jpq h ALA 20 Ca 0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2jpq h ALA 20 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2jpq h ALA 20 CO -0.18 0.15 0.11 1.25 0.00 0.00 0.00 179.25 180.57 2jpq h LEU 21 N 0.80 1.03 -0.61 0.00 6.46 -1.00 -0.59 115.31 121.40 2jpq h LEU 21 Ca 0.30 -0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2jpq h LEU 21 Cb 0.12 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 2jpq h LEU 21 CO -0.15 1.03 0.30 0.58 -0.62 0.00 0.00 178.44 179.58 2jpq h VAL 22 N 0.99 1.21 0.14 1.05 2.07 -0.52 0.25 116.25 121.45 2jpq h VAL 22 Ca 0.20 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2jpq h VAL 22 Cb 0.44 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2jpq h VAL 22 CO 0.01 0.24 -0.07 -0.07 0.02 0.00 0.00 177.57 177.71 2jpq h LEU 23 N 0.83 -0.16 -1.22 2.57 3.38 -0.86 -1.28 115.31 118.56 2jpq h LEU 23 Ca 0.21 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2jpq h LEU 23 Cb 0.11 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jpq h LEU 23 CO -0.03 0.01 -0.13 -0.33 0.09 0.00 0.00 178.44 178.05 2jpq h GLU 24 N -0.33 0.38 -0.59 1.13 5.08 -0.96 0.14 114.58 119.43 2jpq h GLU 24 Ca -0.02 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2jpq h GLU 24 Cb 0.26 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2jpq h GLU 24 CO 0.03 0.51 0.07 -0.22 -1.00 0.00 0.00 179.01 178.40 2jpq h LYS 25 N 0.35 0.97 -0.09 2.33 3.64 -0.32 -1.19 116.57 122.26 2jpq h LYS 25 Ca 0.07 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2jpq h LYS 25 Cb 0.44 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2jpq h LYS 25 CO 0.03 0.91 0.00 0.72 -2.27 0.00 0.00 179.45 178.84 2jpq n HIS 26 N -4.22 0.12 -3.40 1.91 8.25 -0.50 -4.89 115.22 112.49 2jpq n HIS 26 Ca 0.04 -0.06 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 2jpq n HIS 26 Cb 0.29 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.26 -1.18 -1.83 -1.41 0.00 -0.45 -4.94 120.51 110.44 2jpq n ALA 27 Ca 0.12 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.52 2jpq n ALA 27 Cb 0.16 -4.96 -0.03 0.00 0.00 0.00 0.00 19.45 14.63 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 -3.27 3.50 0.55 0.00 0.00 0.40 -4.99 121.76 117.94 2jpq s ALA 28 Ca 0.49 1.18 -0.07 0.00 0.00 0.00 0.00 51.96 53.56 2jpq s ALA 28 Cb -0.22 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2jpq s ALA 28 CO 0.61 -0.56 0.89 -1.12 0.00 0.00 0.00 175.76 175.57 2jpq s SER 29 N -0.29 6.09 0.43 0.00 0.01 -1.26 -4.74 113.70 113.94 2jpq s SER 29 Ca 0.51 1.03 0.21 0.00 1.31 0.00 0.00 55.95 59.00 2jpq s SER 29 Cb -0.38 -2.19 1.17 0.00 0.21 0.00 0.00 66.02 64.82 2jpq s SER 29 CO 0.47 -0.78 1.82 -0.65 0.41 0.00 0.00 173.24 174.52 2jpq h PRO 30 N -0.03 0.32 -0.51 12.44 0.11 -1.98 0.14 132.00 142.49 2jpq h PRO 30 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2jpq h PRO 30 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2jpq h PRO 30 CO 0.62 0.21 0.28 0.93 -0.21 0.00 0.00 178.00 179.83 2jpq h GLU 31 N 0.33 0.71 -0.26 1.05 3.07 -1.98 0.34 114.58 117.84 2jpq h GLU 31 Ca 0.52 -0.08 -0.18 0.00 -0.50 0.00 0.00 59.36 59.12 2jpq h GLU 31 Cb 1.43 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2jpq h GLU 31 CO -0.19 0.55 -0.53 1.25 -1.40 0.00 0.00 179.01 178.69 2jpq h LEU 32 N 0.68 0.86 -0.14 1.33 5.85 -1.21 0.36 115.31 123.05 2jpq h LEU 32 Ca 0.18 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.48 2jpq h LEU 32 Cb 0.04 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2jpq h LEU 32 CO -0.03 1.23 -0.07 0.74 -0.34 0.00 0.00 178.44 179.97 2jpq h THR 33 N 0.60 0.78 0.00 1.05 2.02 -0.57 0.84 112.91 117.63 2jpq h THR 33 Ca 0.02 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 2jpq h THR 33 Cb 1.12 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2jpq h THR 33 CO 0.11 0.00 -0.49 0.25 0.37 0.00 0.00 175.52 175.77 2jpq h LEU 34 N -0.06 0.00 -0.77 2.58 6.46 -0.91 -2.48 115.31 120.14 2jpq h LEU 34 Ca 0.08 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.78 2jpq h LEU 34 Cb 0.17 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 2jpq h LEU 34 CO -0.18 0.49 0.24 -0.03 -0.62 0.00 0.00 178.44 178.34 2jpq h MET 35 N 0.00 1.17 -0.34 1.25 4.05 -0.30 0.10 114.93 120.85 2jpq h MET 35 Ca -0.00 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.16 2jpq h MET 35 Cb 1.09 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.70 2jpq h MET 35 CO 0.06 0.99 0.18 0.82 0.23 0.00 0.00 176.91 179.19 2jpq h ILE 36 N 1.12 1.15 -0.93 1.77 1.08 -0.51 0.08 117.51 121.27 2jpq h ILE 36 Ca 0.24 -0.40 0.05 0.00 -0.39 0.00 0.00 64.86 64.36 2jpq h ILE 36 Cb 0.30 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.78 2jpq h ILE 36 CO -0.01 0.15 0.59 0.00 -0.69 0.00 0.00 178.15 178.20 2jpq h ALA 37 N 1.04 1.25 -0.27 1.87 0.00 -1.09 -0.75 119.26 121.31 2jpq h ALA 37 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jpq h ALA 37 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2jpq h ALA 37 CO -0.02 0.41 0.15 0.78 0.00 0.00 0.00 179.25 180.57 2jpq h GLY 38 N 1.12 0.41 0.79 0.00 0.00 -0.35 -1.57 103.07 103.47 2jpq h GLY 38 Ca 0.39 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.58 2jpq h GLY 38 CO -0.15 0.18 0.54 3.43 0.00 0.00 0.00 176.54 180.54 2jpq h ASN 39 N 0.33 0.87 0.64 0.19 2.35 -0.40 0.29 115.58 119.84 2jpq h ASN 39 Ca 0.10 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2jpq h ASN 39 Cb 0.06 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2jpq h ASN 39 CO -0.02 0.57 -0.48 0.40 -1.65 0.00 0.00 177.43 176.26 2jpq h ILE 40 N 1.01 0.00 -0.76 2.81 2.04 -0.83 0.13 117.51 121.90 2jpq h ILE 40 Ca 0.36 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.24 2jpq h ILE 40 Cb 0.10 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 2jpq h ILE 40 CO -0.15 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.49 2jpq h ALA 41 N -1.08 0.98 -0.33 1.87 0.00 -1.01 0.95 119.26 120.64 2jpq h ALA 41 Ca -0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2jpq h ALA 41 Cb 0.89 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2jpq h ALA 41 CO 0.03 0.32 0.20 1.15 0.00 0.00 0.00 179.25 180.95 2jpq h THR 42 N 0.98 1.10 -0.02 0.00 2.02 -0.31 0.53 112.91 117.22 2jpq h THR 42 Ca 0.29 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 67.11 2jpq h THR 42 Cb -0.05 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2jpq h THR 42 CO -0.09 0.10 -0.61 -1.13 0.37 0.00 0.00 175.52 174.16 2jpq h ASN 43 N 0.43 0.08 0.12 4.18 -1.24 -0.30 0.16 115.58 119.01 2jpq h ASN 43 Ca 0.12 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 2jpq h ASN 43 Cb -0.01 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2jpq h ASN 43 CO -0.02 0.67 -0.06 0.58 -1.29 0.00 0.00 177.43 177.31 2jpq h VAL 44 N 0.05 0.96 0.00 2.57 2.07 -0.50 0.31 116.25 121.71 2jpq h VAL 44 Ca -0.01 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2jpq h VAL 44 Cb 1.09 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2jpq h VAL 44 CO 0.08 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.92 2jpq n LEU 45 N -5.10 0.24 -0.09 2.57 4.77 0.15 -1.27 117.00 118.28 2jpq n LEU 45 Ca -0.08 0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 56.24 2jpq n LEU 45 Cb 0.14 -0.54 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 2jpq n LEU 45 CO 0.33 -0.40 -0.61 -3.20 -1.33 0.00 0.00 177.39 172.18 2jpq n ASN 46 N -1.78 1.91 0.00 -1.43 2.85 0.55 -4.89 115.26 112.48 2jpq n ASN 46 Ca 0.03 0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 2jpq n ASN 46 Cb 0.17 -0.94 0.00 0.00 1.24 0.00 0.00 39.78 40.25 2jpq n ASN 46 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jpq n GLN 47 N -4.26 0.00 -0.79 1.20 6.02 0.11 -4.90 117.38 114.75 2jpq n GLN 47 Ca -0.33 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.54 2jpq n GLN 47 Cb 0.75 -0.28 0.03 0.00 1.02 0.00 0.00 30.24 31.76 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 -2.67 1.59 -3.73 -1.09 1.74 -0.39 -4.79 116.66 107.32 2jpq n ARG 48 Ca 0.00 -1.15 -0.13 0.00 -0.77 0.00 0.00 57.85 55.80 2jpq n ARG 48 Cb 0.23 -1.45 -0.08 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 -1.66 0.06 0.44 1.55 0.11 -0.48 -4.79 120.40 115.63 2jpq s VAL 49 Ca 0.23 -0.46 -0.23 0.00 -2.93 0.00 0.00 61.98 58.58 2jpq s VAL 49 Cb 0.18 -0.74 -0.08 0.00 -1.53 0.00 0.00 36.38 34.21 2jpq s VAL 49 CO -0.01 -0.26 1.14 0.00 -3.33 0.00 0.00 175.10 172.65 2jpq s ALA 50 N -1.65 3.01 0.23 1.54 0.00 -1.26 -4.87 121.76 118.76 2jpq s ALA 50 Ca -0.11 0.89 -0.07 0.00 0.00 0.00 0.00 51.96 52.67 2jpq s ALA 50 Cb -0.03 -3.36 0.28 0.00 0.00 0.00 0.00 23.12 20.01 2jpq s ALA 50 CO 0.03 -0.56 1.84 0.00 0.00 0.00 0.00 175.76 177.06 2jpq h ALA 51 N 2.18 1.05 -0.81 0.00 0.00 -1.98 0.24 119.26 119.94 2jpq h ALA 51 Ca -0.49 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2jpq h ALA 51 Cb 1.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2jpq h ALA 51 CO 0.61 0.19 0.36 0.77 0.00 0.00 0.00 179.25 181.17 2jpq h SER 52 N 0.86 1.08 0.87 0.00 0.02 -2.05 -2.84 113.55 111.49 2jpq h SER 52 Ca 0.34 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2jpq h SER 52 Cb 0.16 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2jpq h SER 52 CO -0.17 0.93 -0.15 1.67 -1.14 0.00 0.00 176.83 177.97 2jpq n GLN 53 N -4.29 0.01 0.44 3.45 -0.06 -0.44 -4.17 117.38 112.33 2jpq n GLN 53 Ca 0.08 0.01 -0.19 0.00 -2.00 0.00 0.00 57.00 54.89 2jpq n GLN 53 Cb 0.16 -1.51 -0.09 0.00 -4.06 0.00 0.00 30.24 24.74 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 -1.07 -0.20 3.69 2.43 -0.33 0.41 114.38 119.31 2jpq h ARG 54 Ca 0.00 0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 2jpq h ARG 54 Cb 0.51 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2jpq h ARG 54 CO 0.00 -0.71 -0.42 -0.22 -1.51 0.00 0.00 179.97 177.10 2jpq h LYS 55 N -1.11 0.47 -0.06 0.20 3.64 -1.75 -2.50 116.57 115.46 2jpq h LYS 55 Ca -0.11 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 2jpq h LYS 55 Cb 0.85 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2jpq h LYS 55 CO 0.19 0.81 -0.03 1.25 -2.27 0.00 0.00 179.45 179.40 2jpq h LEU 56 N 0.39 0.13 -0.88 5.20 7.12 -1.67 -1.72 115.31 123.87 2jpq h LEU 56 Ca 0.03 -0.42 -0.10 0.00 0.13 0.00 0.00 57.88 57.52 2jpq h LEU 56 Cb 0.90 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.99 2jpq h LEU 56 CO 0.08 0.52 -0.47 -0.29 -0.13 0.00 0.00 178.44 178.15 2jpq h ILE 57 N -0.27 1.12 -0.37 4.05 2.10 -0.21 0.33 117.51 124.26 2jpq h ILE 57 Ca 0.01 -1.75 -0.10 0.00 1.08 0.00 0.00 64.86 64.11 2jpq h ILE 57 Cb 0.47 2.00 -0.01 0.00 -1.09 0.00 0.00 36.82 38.20 2jpq h ILE 57 CO 0.01 0.46 -0.14 0.00 -1.08 0.00 0.00 178.15 177.40 2jpq h ALA 58 N 1.53 0.52 -0.43 0.18 0.00 -1.41 0.23 119.26 119.89 2jpq h ALA 58 Ca -0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 2jpq h ALA 58 Cb 0.97 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2jpq h ALA 58 CO 0.06 0.43 0.07 1.49 0.00 0.00 0.00 179.25 181.30 2jpq h GLU 59 N 0.56 0.71 -0.01 0.00 4.81 -0.84 -2.00 114.58 117.80 2jpq h GLU 59 Ca 0.09 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2jpq h GLU 59 Cb 0.68 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 2jpq h GLU 59 CO 0.05 0.74 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.71 2jpq h LYS 60 N 0.56 -0.22 -0.12 1.92 3.64 -0.22 -0.42 116.57 121.72 2jpq h LYS 60 Ca 0.13 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2jpq h LYS 60 Cb 0.38 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 2jpq h LYS 60 CO 0.01 -0.15 -0.26 0.35 -2.27 0.00 0.00 179.45 177.13 2jpq h PHE 61 N -0.23 -0.71 -0.01 1.91 3.57 -0.44 0.63 116.94 121.67 2jpq h PHE 61 Ca 0.05 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2jpq h PHE 61 Cb 0.30 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 2jpq h PHE 61 CO -0.20 -0.35 0.00 0.00 -2.23 0.00 0.00 178.31 175.54 2jpq h ALA 62 N 0.56 0.01 -0.77 2.41 0.00 -1.18 1.00 119.26 121.29 2jpq h ALA 62 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2jpq h ALA 62 Cb 0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2jpq h ALA 62 CO -0.31 -0.43 0.32 1.96 0.00 0.00 0.00 179.25 180.80 2jpq h GLN 63 N -0.12 1.14 -0.60 0.00 4.20 -0.93 -0.38 115.11 118.43 2jpq h GLN 63 Ca 0.00 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 2jpq h GLN 63 Cb 0.13 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 2jpq h GLN 63 CO -0.00 0.92 0.23 0.00 -0.67 0.00 0.00 178.83 179.31 2jpq h ALA 64 N 1.17 0.78 -0.79 3.87 0.00 -0.68 -0.53 119.26 123.09 2jpq h ALA 64 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jpq h ALA 64 Cb 0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2jpq h ALA 64 CO -0.02 0.40 0.51 1.25 0.00 0.00 0.00 179.25 181.39 2jpq h LEU 65 N 0.83 0.91 -0.29 0.00 5.85 -0.22 0.14 115.31 122.54 2jpq h LEU 65 Ca 0.20 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2jpq h LEU 65 Cb 0.22 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2jpq h LEU 65 CO -0.01 0.67 0.00 0.23 -0.34 0.00 0.00 178.44 178.99 2jpq n MET 66 N -4.52 0.21 0.03 1.25 2.81 -0.21 -1.66 117.12 115.04 2jpq n MET 66 Ca 0.08 0.29 -0.17 0.00 -1.81 0.00 0.00 57.70 56.09 2jpq n MET 66 Cb 0.02 -1.81 -0.14 0.00 -0.71 0.00 0.00 33.22 30.58 2jpq n MET 66 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2jpq h SER 67 N 0.00 0.34 -0.03 7.83 0.02 0.37 -3.31 113.55 118.77 2jpq h SER 67 Ca 0.00 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2jpq h SER 67 Cb 0.56 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2jpq h SER 67 CO 0.00 1.53 0.00 -1.54 -1.14 0.00 0.00 176.83 175.68 2jpq n SER 68 N -3.39 1.07 -4.65 3.07 3.41 0.35 -4.83 113.62 108.66 2jpq n SER 68 Ca -0.23 -1.40 -0.43 0.00 -0.26 0.00 0.00 58.87 56.55 2jpq n SER 68 Cb 1.05 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.96 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 -1.92 4.08 -0.49 1.04 2.96 -0.66 -4.97 118.68 118.72 2jpq s LEU 69 Ca 0.39 1.57 -0.29 0.00 -0.22 0.00 0.00 54.13 55.58 2jpq s LEU 69 Cb 0.20 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.38 2jpq s LEU 69 CO 0.33 -0.90 1.20 -1.61 -1.32 0.00 0.00 176.35 174.05 2jpq s GLU 70 N 3.81 3.65 -0.08 1.98 2.02 -1.26 -5.00 118.70 123.81 2jpq s GLU 70 Ca 0.57 0.56 0.05 0.00 0.02 0.00 0.00 54.97 56.17 2jpq s GLU 70 Cb -0.21 -3.95 -0.00 0.00 0.10 0.00 0.00 34.13 30.06 2jpq s GLU 70 CO 0.19 -1.49 -0.24 0.95 0.02 0.00 0.00 175.26 174.69 2jpq s THR 71 N 4.75 2.07 0.39 3.63 -4.23 -1.26 -5.00 115.64 115.98 2jpq s THR 71 Ca 0.49 -1.04 0.29 0.00 -1.18 0.00 0.00 61.69 60.25 2jpq s THR 71 Cb -0.08 -1.76 0.30 0.00 1.34 0.00 0.00 72.50 72.30 2jpq s THR 71 CO 0.31 0.56 2.07 -0.65 -0.54 0.00 0.00 174.62 176.37 2jpq h PRO 72 N 6.42 0.00 0.00 3.99 0.11 -2.07 -3.49 132.00 136.96 2jpq h PRO 72 Ca -0.25 0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.10 2jpq h PRO 72 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 2jpq h PRO 72 CO 0.47 0.11 -0.32 1.63 -0.21 0.00 0.00 178.00 179.68 2jpq n LYS 73 N -3.55 -1.77 -3.10 1.05 5.02 -1.26 -4.80 118.16 109.74 2jpq n LYS 73 Ca -0.02 1.17 -0.39 0.00 -2.02 0.00 0.00 58.31 57.05 2jpq n LYS 73 Cb 0.25 -2.16 -0.05 0.00 -0.02 0.00 0.00 35.03 33.04 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 -1.65 4.92 0.26 -0.18 -4.23 -1.26 -5.06 115.64 108.44 2jpq s THR 74 Ca 0.00 1.40 -0.18 0.00 -1.18 0.00 0.00 61.69 61.73 2jpq s THR 74 Cb 0.00 -4.01 -0.09 0.00 1.34 0.00 0.00 72.50 69.74 2jpq s THR 74 CO 0.00 0.35 0.74 -1.00 -0.54 0.00 0.00 174.62 174.16 2jpq s HIS 75 N 0.20 3.55 -0.15 3.99 0.09 -1.26 -4.65 115.29 117.07 2jpq s HIS 75 Ca 0.35 1.34 -0.05 0.00 -0.00 0.00 0.00 55.06 56.70 2jpq s HIS 75 Cb -0.19 -2.60 0.02 0.00 -0.00 0.00 0.00 32.58 29.81 2jpq s HIS 75 CO 0.19 0.25 0.10 1.28 -0.00 0.00 0.00 174.74 176.55 2jpq n LEU 76 N 0.34 -5.08 -0.56 0.89 4.32 -1.26 -4.76 117.00 110.89 2jpq n LEU 76 Ca -0.00 1.26 0.04 0.00 -0.02 0.00 0.00 56.01 57.29 2jpq n LEU 76 Cb 0.52 -2.47 -0.02 0.00 -1.62 0.00 0.00 43.42 39.83 2jpq n LEU 76 CO 0.42 -2.38 -0.21 -0.62 -1.22 0.00 0.00 177.39 173.38 2jpq n GLU 77 N 0.84 -1.38 -0.07 3.23 1.02 -1.26 -4.27 120.64 118.75 2jpq n GLU 77 Ca -0.17 1.10 0.07 0.00 -0.02 0.00 0.00 57.16 58.14 2jpq n GLU 77 Cb 0.26 -1.47 0.29 0.00 -0.02 0.00 0.00 31.44 30.50 2jpq n GLU 77 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jpq n HIS 78 N -2.44 0.19 -3.02 -0.32 8.25 -1.26 -4.16 115.22 112.46 2jpq n HIS 78 Ca -0.02 -0.10 -0.09 0.00 -0.26 0.00 0.00 57.72 57.25 2jpq n HIS 78 Cb 0.22 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 2jpq n HIS 78 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jpq s HIS 79 N -1.81 -0.97 -0.06 4.41 -3.43 -1.26 -4.83 115.29 107.35 2jpq s HIS 79 Ca 0.23 -0.81 -0.00 0.00 -0.80 0.00 0.00 55.06 53.69 2jpq s HIS 79 Cb 0.12 -0.00 0.05 0.00 -1.43 0.00 0.00 32.58 31.31 2jpq s HIS 79 CO 0.18 -1.14 1.83 1.58 -2.00 0.00 0.00 174.74 175.19 2jpq n HIS 80 N 3.31 0.31 -4.23 0.38 -0.00 -1.26 -4.78 115.22 108.95 2jpq n HIS 80 Ca 0.18 -1.09 -0.13 0.00 0.46 0.00 0.00 57.72 57.14 2jpq n HIS 80 Cb 0.53 -0.54 -0.10 0.00 -0.12 0.00 0.00 29.99 29.76 2jpq n HIS 80 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jpq s HIS 81 N -0.36 1.22 -1.30 1.57 3.76 -1.26 -5.06 115.29 113.86 2jpq s HIS 81 Ca 0.06 -1.19 -0.17 0.00 -0.15 0.00 0.00 55.06 53.61 2jpq s HIS 81 Cb 0.05 -0.68 0.08 0.00 1.11 0.00 0.00 32.58 33.14 2jpq s HIS 81 CO 0.00 -0.41 1.75 0.72 -0.85 0.00 0.00 174.74 175.96 2jpq n HIS 82 N -0.28 4.60 -1.46 1.40 -0.00 -1.26 -5.18 115.22 113.04 2jpq n HIS 82 Ca -0.03 -2.89 0.00 0.00 -0.00 0.00 0.00 57.72 54.81 2jpq n HIS 82 Cb 0.65 -2.60 0.00 0.00 -0.00 0.00 0.00 29.99 28.04 2jpq n HIS 82 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92