#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 1.46 0.00 0.03 -0.04 -1.26 -4.62 135.00 130.57 2jpq n PRO 2 Ca 0.00 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 2jpq n PRO 2 Cb 0.00 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 2jpq n PRO 2 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2jpq n ILE 3 N 0.31 0.00 -3.02 0.52 -5.35 -1.26 -4.85 119.36 105.71 2jpq n ILE 3 Ca 0.20 0.03 -0.40 0.00 -0.27 0.00 0.00 62.75 62.30 2jpq n ILE 3 Cb 0.73 -0.07 -0.05 0.00 -1.74 0.00 0.00 39.64 38.51 2jpq n ILE 3 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2jpq s THR 4 N -0.01 5.03 0.23 7.28 2.01 -1.26 -5.03 115.64 123.88 2jpq s THR 4 Ca 0.00 1.48 -0.15 0.00 0.31 0.00 0.00 61.69 63.33 2jpq s THR 4 Cb 0.00 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.46 2jpq s THR 4 CO 0.00 0.23 0.51 -0.44 -0.69 0.00 0.00 174.62 174.22 2jpq s SER 5 N 0.85 -0.15 0.27 3.53 0.01 -1.26 -5.01 113.70 111.94 2jpq s SER 5 Ca 0.38 -0.75 0.25 0.00 1.31 0.00 0.00 55.95 57.15 2jpq s SER 5 Cb -0.18 0.59 0.90 0.00 0.21 0.00 0.00 66.02 67.54 2jpq s SER 5 CO 0.18 -1.12 1.75 0.11 0.41 0.00 0.00 173.24 174.57 2jpq h LYS 6 N 2.23 0.00 0.00 12.44 1.57 -2.02 -3.49 116.57 127.30 2jpq h LYS 6 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2jpq h LYS 6 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2jpq h LYS 6 CO 0.35 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.89 2jpq n TYR 7 N -2.37 -0.40 -3.35 -1.35 4.01 -1.26 -4.43 117.16 108.02 2jpq n TYR 7 Ca 0.04 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.39 2jpq n TYR 7 Cb 0.34 0.12 -0.06 0.00 -0.31 0.00 0.00 39.34 39.44 2jpq n TYR 7 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2jpq s THR 8 N 0.00 4.95 0.22 -0.72 -1.32 -1.26 -4.99 115.64 112.52 2jpq s THR 8 Ca 0.00 1.04 -0.08 0.00 -1.21 0.00 0.00 61.69 61.44 2jpq s THR 8 Cb 0.00 -3.82 0.16 0.00 -1.51 0.00 0.00 72.50 67.33 2jpq s THR 8 CO 0.00 0.49 1.81 -2.24 -2.21 0.00 0.00 174.62 172.47 2jpq h ASP 9 N 5.21 0.57 0.83 8.08 2.03 -2.02 -0.85 116.42 130.28 2jpq h ASP 9 Ca -0.48 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2jpq h ASP 9 Cb 1.21 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2jpq h ASP 9 CO 0.66 0.35 0.00 -0.62 -1.03 0.00 0.00 179.24 178.61 2jpq n GLU 10 N -4.78 0.13 0.21 4.15 1.02 -1.26 -0.61 120.64 119.50 2jpq n GLU 10 Ca 0.10 0.29 -0.09 0.00 -0.02 0.00 0.00 57.16 57.44 2jpq n GLU 10 Cb 0.20 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 29.86 2jpq n GLU 10 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2jpq h GLN 11 N 0.00 -0.59 -0.57 3.49 4.15 -1.54 -2.34 115.11 117.71 2jpq h GLN 11 Ca 0.00 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 2jpq h GLN 11 Cb 0.42 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 2jpq h GLN 11 CO 0.00 -0.39 0.35 0.28 -1.93 0.00 0.00 178.83 177.14 2jpq h VAL 12 N -1.15 1.17 -0.67 2.39 2.07 -1.47 -2.24 116.25 116.35 2jpq h VAL 12 Ca -0.06 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2jpq h VAL 12 Cb 0.47 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 2jpq h VAL 12 CO 0.10 0.17 0.38 -0.08 0.02 0.00 0.00 177.57 178.17 2jpq h GLU 13 N 0.77 0.69 0.02 1.57 4.81 -0.96 0.04 114.58 121.52 2jpq h GLU 13 Ca 0.21 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 59.17 2jpq h GLU 13 Cb -0.03 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 2jpq h GLU 13 CO -0.04 0.46 -0.97 0.87 -0.73 0.00 0.00 179.01 178.60 2jpq h LYS 14 N 0.71 0.34 -0.22 1.92 6.56 -1.18 -0.14 116.57 124.56 2jpq h LYS 14 Ca 0.29 -0.39 -0.02 0.00 -1.06 0.00 0.00 60.65 59.48 2jpq h LYS 14 Cb 0.16 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.92 2jpq h LYS 14 CO -0.17 1.09 0.07 0.82 -2.06 0.00 0.00 179.45 179.20 2jpq h ILE 15 N 0.18 1.19 -0.85 1.86 5.03 -1.14 -2.40 117.51 121.37 2jpq h ILE 15 Ca -0.08 -0.60 0.02 0.00 -0.12 0.00 0.00 64.86 64.08 2jpq h ILE 15 Cb 1.62 1.18 -0.05 0.00 -3.03 0.00 0.00 36.82 36.54 2jpq h ILE 15 CO 0.16 0.19 0.56 -0.07 -0.68 0.00 0.00 178.15 178.31 2jpq h LEU 16 N 0.18 0.95 -0.01 1.44 3.38 -0.89 -1.15 115.31 119.22 2jpq h LEU 16 Ca 0.07 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jpq h LEU 16 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jpq h LEU 16 CO -0.00 0.68 -0.05 0.00 0.09 0.00 0.00 178.44 179.15 2jpq h ALA 17 N 1.33 -0.04 -0.51 1.53 0.00 -0.90 0.24 119.26 120.90 2jpq h ALA 17 Ca 0.32 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2jpq h ALA 17 Cb -0.08 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jpq h ALA 17 CO -0.08 -0.54 -0.11 0.93 0.00 0.00 0.00 179.25 179.44 2jpq h GLU 18 N -0.08 0.97 -0.31 0.00 5.08 -1.19 -1.41 114.58 117.63 2jpq h GLU 18 Ca 0.02 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 2jpq h GLU 18 Cb 0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2jpq h GLU 18 CO -0.06 1.02 0.06 0.28 -1.00 0.00 0.00 179.01 179.31 2jpq h VAL 19 N 0.86 1.23 -0.87 3.13 2.07 -0.99 -1.90 116.25 119.78 2jpq h VAL 19 Ca 0.13 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2jpq h VAL 19 Cb 0.66 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2jpq h VAL 19 CO 0.05 0.26 0.54 0.00 0.02 0.00 0.00 177.57 178.44 2jpq h ALA 20 N 0.89 1.32 -0.64 1.67 0.00 -0.36 -1.23 119.26 120.92 2jpq h ALA 20 Ca 0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jpq h ALA 20 Cb 0.33 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2jpq h ALA 20 CO 0.00 0.60 0.19 1.25 0.00 0.00 0.00 179.25 181.29 2jpq h LEU 21 N 1.19 0.91 -0.73 0.00 6.46 -1.08 -1.19 115.31 120.87 2jpq h LEU 21 Ca 0.31 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2jpq h LEU 21 Cb -0.08 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.57 2jpq h LEU 21 CO -0.06 0.86 0.48 0.58 -0.62 0.00 0.00 178.44 179.68 2jpq h VAL 22 N 0.94 1.17 -0.37 1.05 2.07 -0.43 0.74 116.25 121.43 2jpq h VAL 22 Ca 0.21 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2jpq h VAL 22 Cb 0.28 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2jpq h VAL 22 CO -0.01 0.18 0.21 -0.07 0.02 0.00 0.00 177.57 177.90 2jpq h LEU 23 N 0.97 0.46 -0.53 2.57 3.38 -0.77 -0.39 115.31 121.01 2jpq h LEU 23 Ca 0.27 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 2jpq h LEU 23 Cb -0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2jpq h LEU 23 CO -0.07 0.40 -0.46 -0.33 0.09 0.00 0.00 178.44 178.07 2jpq h GLU 24 N 0.48 0.67 -0.48 1.13 5.08 -0.82 0.22 114.58 120.86 2jpq h GLU 24 Ca 0.13 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 2jpq h GLU 24 Cb 0.04 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2jpq h GLU 24 CO -0.02 0.99 0.16 -0.22 -1.00 0.00 0.00 179.01 178.92 2jpq h LYS 25 N 0.54 0.70 -0.16 2.33 3.64 0.81 -1.34 116.57 123.09 2jpq h LYS 25 Ca 0.03 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2jpq h LYS 25 Cb 1.01 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2jpq h LYS 25 CO 0.09 0.61 0.00 0.72 -2.27 0.00 0.00 179.45 178.60 2jpq n HIS 26 N -4.33 0.19 -3.80 1.91 8.25 -0.18 -4.96 115.22 112.31 2jpq n HIS 26 Ca 0.04 -0.10 -0.24 0.00 -0.26 0.00 0.00 57.72 57.16 2jpq n HIS 26 Cb 0.18 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.31 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 0.95 -1.87 -2.22 -1.41 0.00 -0.51 -4.89 120.51 110.56 2jpq n ALA 27 Ca 0.17 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 2jpq n ALA 27 Cb 0.50 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 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 -3.65 3.59 0.82 0.00 0.00 0.66 -5.00 121.76 118.18 2jpq s ALA 28 Ca 0.13 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 2jpq s ALA 28 Cb -0.07 -3.62 0.09 0.00 0.00 0.00 0.00 23.12 19.52 2jpq s ALA 28 CO 0.83 -1.01 1.16 -1.12 0.00 0.00 0.00 175.76 175.63 2jpq s SER 29 N 2.08 3.68 0.21 0.00 0.01 -1.26 -4.66 113.70 113.76 2jpq s SER 29 Ca 0.64 2.21 -0.10 0.00 1.31 0.00 0.00 55.95 60.01 2jpq s SER 29 Cb -0.30 -2.57 0.28 0.00 0.21 0.00 0.00 66.02 63.64 2jpq s SER 29 CO 0.25 -2.60 1.74 -0.65 0.41 0.00 0.00 173.24 172.39 2jpq h PRO 30 N -1.10 0.37 -0.40 12.44 0.11 -1.98 0.38 132.00 141.81 2jpq h PRO 30 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2jpq h PRO 30 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2jpq h PRO 30 CO 0.46 0.24 0.17 1.05 -0.21 0.00 0.00 178.00 179.72 2jpq h GLU 31 N 0.38 0.59 -0.46 1.05 4.11 -1.99 -0.90 114.58 117.36 2jpq h GLU 31 Ca 0.31 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.64 2jpq h GLU 31 Cb 0.40 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2jpq h GLU 31 CO -0.32 0.54 0.30 1.25 0.07 0.00 0.00 179.01 180.85 2jpq h LEU 32 N 0.50 0.54 0.24 3.06 5.85 -1.72 -0.47 115.31 123.31 2jpq h LEU 32 Ca 0.13 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jpq h LEU 32 Cb 0.16 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2jpq h LEU 32 CO -0.01 0.40 -0.26 0.74 -0.34 0.00 0.00 178.44 178.97 2jpq h THR 33 N 0.63 0.45 -0.12 1.05 2.02 0.05 0.72 112.91 117.70 2jpq h THR 33 Ca 0.17 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.23 2jpq h THR 33 Cb -0.06 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2jpq h THR 33 CO -0.04 0.00 -0.47 0.25 0.37 0.00 0.00 175.52 175.64 2jpq h LEU 34 N -0.54 0.33 -0.95 2.58 6.46 -1.11 -2.17 115.31 119.91 2jpq h LEU 34 Ca -0.00 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.54 2jpq h LEU 34 Cb 0.51 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 2jpq h LEU 34 CO -0.07 0.75 0.05 -0.03 -0.62 0.00 0.00 178.44 178.52 2jpq h MET 35 N 0.25 0.82 -0.42 1.25 4.05 -0.85 -2.09 114.93 117.94 2jpq h MET 35 Ca 0.02 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 2jpq h MET 35 Cb 0.92 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 2jpq h MET 35 CO 0.08 0.79 0.28 0.82 0.23 0.00 0.00 176.91 179.11 2jpq h ILE 36 N 0.77 1.11 -0.98 1.77 2.04 -0.26 -0.41 117.51 121.54 2jpq h ILE 36 Ca 0.16 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2jpq h ILE 36 Cb 0.40 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 2jpq h ILE 36 CO 0.01 0.10 0.63 0.00 0.00 0.00 0.00 178.15 178.90 2jpq h ALA 37 N 1.16 1.36 -0.37 1.87 0.00 -1.00 0.15 119.26 122.43 2jpq h ALA 37 Ca 0.15 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2jpq h ALA 37 Cb -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2jpq h ALA 37 CO -0.03 0.44 -0.18 0.78 0.00 0.00 0.00 179.25 180.25 2jpq h GLY 38 N 1.16 0.74 1.72 0.00 0.00 -0.93 -2.18 103.07 103.59 2jpq h GLY 38 Ca 0.42 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 2jpq h GLY 38 CO -0.17 0.54 -0.35 -0.57 0.00 0.00 0.00 176.54 175.99 2jpq h ASN 39 N 0.61 0.32 0.22 0.19 -0.73 0.26 -0.26 115.58 116.18 2jpq h ASN 39 Ca 0.10 -0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 2jpq h ASN 39 Cb 0.64 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 39.14 2jpq h ASN 39 CO 0.05 0.66 -0.12 0.40 -0.37 0.00 0.00 177.43 178.04 2jpq h ILE 40 N 0.27 0.74 -0.76 2.57 1.08 -0.36 0.40 117.51 121.46 2jpq h ILE 40 Ca 0.03 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.56 2jpq h ILE 40 Cb 0.75 0.74 -0.06 0.00 -3.07 0.00 0.00 36.82 35.19 2jpq h ILE 40 CO 0.06 0.00 0.45 0.00 -0.69 0.00 0.00 178.15 177.96 2jpq h ALA 41 N 0.46 1.03 -0.61 1.87 0.00 -1.16 0.18 119.26 121.03 2jpq h ALA 41 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2jpq h ALA 41 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2jpq h ALA 41 CO 0.03 0.15 0.31 1.15 0.00 0.00 0.00 179.25 180.89 2jpq h THR 42 N 0.81 1.21 -0.79 0.00 2.02 -0.65 0.66 112.91 116.18 2jpq h THR 42 Ca 0.34 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2jpq h THR 42 Cb 0.19 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 2jpq h THR 42 CO -0.18 0.24 0.50 -1.13 0.37 0.00 0.00 175.52 175.31 2jpq h ASN 43 N 0.84 0.92 0.24 4.18 -0.73 0.53 -0.42 115.58 121.15 2jpq h ASN 43 Ca 0.21 -0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.33 2jpq h ASN 43 Cb 0.09 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.45 2jpq h ASN 43 CO -0.03 0.70 -0.15 0.58 -0.37 0.00 0.00 177.43 178.16 2jpq h VAL 44 N 1.07 0.69 0.00 2.57 2.07 -0.46 -0.64 116.25 121.55 2jpq h VAL 44 Ca 0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.80 2jpq h VAL 44 Cb -0.08 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2jpq h VAL 44 CO -0.06 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.71 2jpq n LEU 45 N -5.27 0.59 -0.08 2.57 4.77 0.18 -0.63 117.00 119.13 2jpq n LEU 45 Ca -0.09 0.73 -0.09 0.00 -0.03 0.00 0.00 56.01 56.53 2jpq n LEU 45 Cb 0.18 -0.74 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 2jpq n LEU 45 CO 0.34 -0.81 -0.40 0.59 -1.33 0.00 0.00 177.39 175.77 2jpq n ASN 46 N -2.24 1.82 0.00 -1.43 3.02 -0.20 -4.80 115.26 111.43 2jpq n ASN 46 Ca -0.00 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 2jpq n ASN 46 Cb 0.10 -0.89 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 2jpq n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jpq n GLN 47 N -4.57 0.76 -0.63 3.52 6.02 -0.31 -4.81 117.38 117.36 2jpq n GLN 47 Ca -0.13 -0.71 0.04 0.00 -0.01 0.00 0.00 57.00 56.18 2jpq n GLN 47 Cb 0.37 -0.69 0.05 0.00 1.02 0.00 0.00 30.24 31.00 2jpq n GLN 47 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2jpq n ARG 48 N -0.14 0.43 -3.43 -1.09 0.63 0.19 -5.01 116.66 108.23 2jpq n ARG 48 Ca 0.00 -1.78 -0.13 0.00 -0.92 0.00 0.00 57.85 55.02 2jpq n ARG 48 Cb 0.34 -0.71 -0.03 0.00 0.45 0.00 0.00 32.46 32.51 2jpq n ARG 48 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2jpq s VAL 49 N -0.93 0.00 0.30 5.15 0.11 -0.69 -4.81 120.40 119.53 2jpq s VAL 49 Ca 0.18 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.95 2jpq s VAL 49 Cb 0.18 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.94 2jpq s VAL 49 CO -0.04 0.00 1.05 0.00 -3.33 0.00 0.00 175.10 172.78 2jpq s ALA 50 N -3.38 3.31 0.34 1.54 0.00 -1.26 -4.92 121.76 117.40 2jpq s ALA 50 Ca -0.01 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.76 2jpq s ALA 50 Cb -0.01 -3.29 0.62 0.00 0.00 0.00 0.00 23.12 20.44 2jpq s ALA 50 CO -0.10 -0.09 1.98 0.00 0.00 0.00 0.00 175.76 177.56 2jpq h ALA 51 N 3.55 1.50 0.00 0.00 0.00 -1.99 0.23 119.26 122.56 2jpq h ALA 51 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jpq h ALA 51 Cb 1.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jpq h ALA 51 CO 0.66 0.43 0.00 0.77 0.00 0.00 0.00 179.25 181.11 2jpq h SER 52 N 0.82 0.00 -0.01 0.00 0.02 -2.03 -2.99 113.55 109.36 2jpq h SER 52 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2jpq h SER 52 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2jpq h SER 52 CO -0.04 0.00 -0.22 1.67 -1.14 0.00 0.00 176.83 177.10 2jpq n GLN 53 N -2.32 2.14 -0.02 3.45 -0.06 0.03 -4.66 117.38 115.94 2jpq n GLN 53 Ca 0.01 -0.58 -0.06 0.00 -2.00 0.00 0.00 57.00 54.37 2jpq n GLN 53 Cb 0.16 -1.08 0.14 0.00 -4.06 0.00 0.00 30.24 25.40 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 1.08 0.58 -0.03 3.69 3.08 -1.28 0.27 114.38 121.76 2jpq h ARG 54 Ca 0.00 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 2jpq h ARG 54 Cb 0.34 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2jpq h ARG 54 CO 0.00 0.82 -0.28 0.87 -1.07 0.00 0.00 179.97 180.30 2jpq h LYS 55 N 0.50 0.24 -0.15 0.04 1.79 -1.83 -2.36 116.57 114.80 2jpq h LYS 55 Ca 0.06 -0.22 0.01 0.00 -2.18 0.00 0.00 60.65 58.32 2jpq h LYS 55 Cb 0.78 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 2jpq h LYS 55 CO 0.06 0.90 0.05 -0.07 -1.08 0.00 0.00 179.45 179.31 2jpq h LEU 56 N -0.34 0.05 -0.99 2.94 3.38 -1.80 -1.95 115.31 116.60 2jpq h LEU 56 Ca -0.03 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2jpq h LEU 56 Cb 0.98 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2jpq h LEU 56 CO 0.06 0.05 -0.49 -0.29 0.09 0.00 0.00 178.44 177.86 2jpq h ILE 57 N 0.12 1.29 -0.20 1.22 2.10 -0.56 0.33 117.51 121.82 2jpq h ILE 57 Ca 0.06 -1.70 -0.06 0.00 1.08 0.00 0.00 64.86 64.24 2jpq h ILE 57 Cb 0.04 1.93 -0.00 0.00 -1.09 0.00 0.00 36.82 37.70 2jpq h ILE 57 CO -0.07 0.48 -0.12 0.00 -1.08 0.00 0.00 178.15 177.37 2jpq h ALA 58 N 1.51 0.28 -0.44 0.18 0.00 -1.22 -0.82 119.26 118.75 2jpq h ALA 58 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2jpq h ALA 58 Cb 0.89 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2jpq h ALA 58 CO 0.06 0.13 -0.25 0.93 0.00 0.00 0.00 179.25 180.12 2jpq h GLU 59 N 0.11 0.95 -0.98 0.00 5.08 -1.08 -2.39 114.58 116.27 2jpq h GLU 59 Ca 0.04 -0.43 0.08 0.00 -1.00 0.00 0.00 59.36 58.05 2jpq h GLU 59 Cb 0.62 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 2jpq h GLU 59 CO 0.03 1.10 0.63 -0.22 -1.00 0.00 0.00 179.01 179.55 2jpq h LYS 60 N 0.79 1.05 0.48 2.33 3.64 -0.32 0.83 116.57 125.37 2jpq h LYS 60 Ca 0.09 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2jpq h LYS 60 Cb 0.83 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2jpq h LYS 60 CO 0.07 0.70 -0.23 0.35 -2.27 0.00 0.00 179.45 178.07 2jpq h PHE 61 N 1.08 -0.60 -0.12 1.91 3.57 -0.88 -2.59 116.94 119.31 2jpq h PHE 61 Ca 0.44 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2jpq h PHE 61 Cb 0.28 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2jpq h PHE 61 CO -0.00 -0.36 0.08 0.00 -2.23 0.00 0.00 178.31 175.79 2jpq h ALA 62 N -0.13 0.16 -0.86 2.41 0.00 -0.87 -0.83 119.26 119.13 2jpq h ALA 62 Ca -0.07 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2jpq h ALA 62 Cb 0.50 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2jpq h ALA 62 CO 0.11 -0.34 0.55 1.96 0.00 0.00 0.00 179.25 181.52 2jpq h GLN 63 N 0.15 1.01 -0.46 0.00 1.08 -0.90 0.34 115.11 116.34 2jpq h GLN 63 Ca 0.05 -0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 57.06 2jpq h GLN 63 Cb 0.00 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 2jpq h GLN 63 CO -0.01 0.67 -0.22 0.00 -0.95 0.00 0.00 178.83 178.32 2jpq h ALA 64 N 1.37 0.74 -0.50 3.87 0.00 -1.17 -1.93 119.26 121.64 2jpq h ALA 64 Ca 0.35 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2jpq h ALA 64 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jpq h ALA 64 CO -0.14 0.67 0.10 1.25 0.00 0.00 0.00 179.25 181.13 2jpq h LEU 65 N 0.81 0.78 -1.09 0.00 5.85 -0.19 -1.68 115.31 119.79 2jpq h LEU 65 Ca 0.11 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 2jpq h LEU 65 Cb 0.78 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2jpq h LEU 65 CO 0.06 0.83 -0.26 0.24 -0.34 0.00 0.00 178.44 178.97 2jpq h MET 66 N 0.70 0.00 0.00 1.25 2.86 -0.92 -1.30 114.93 117.52 2jpq h MET 66 Ca 0.15 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 2jpq h MET 66 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2jpq h MET 66 CO 0.01 0.26 -0.47 0.77 1.06 0.00 0.00 176.91 178.54 2jpq h SER 67 N 0.00 0.00 -0.70 1.22 0.02 -0.80 -2.94 113.55 110.35 2jpq h SER 67 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jpq h SER 67 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2jpq h SER 67 CO 0.03 0.47 0.00 -1.54 -1.14 0.00 0.00 176.83 174.65 2jpq n SER 68 N -3.50 3.91 -0.58 3.07 3.41 -0.68 -4.38 113.62 114.86 2jpq n SER 68 Ca 0.00 -2.01 0.02 0.00 -0.26 0.00 0.00 58.87 56.62 2jpq n SER 68 Cb 0.59 -0.47 0.09 0.00 -0.26 0.00 0.00 64.21 64.15 2jpq n SER 68 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2jpq n LEU 69 N 1.55 1.54 0.00 1.04 7.94 -0.55 -4.92 117.00 123.61 2jpq n LEU 69 Ca 0.24 -0.78 0.00 0.00 -1.11 0.00 0.00 56.01 54.36 2jpq n LEU 69 Cb 0.62 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.24 2jpq n LEU 69 CO 0.16 0.29 0.00 -0.62 -1.11 0.00 0.00 177.39 176.11 2jpq n GLU 70 N 0.09 0.00 -2.53 1.96 1.02 -1.26 -4.77 120.64 115.15 2jpq n GLU 70 Ca 0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.20 2jpq n GLU 70 Cb 0.31 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.73 2jpq n GLU 70 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2jpq n THR 71 N 0.00-10.80 -2.00 2.62 -1.04 -1.26 -4.80 114.28 97.00 2jpq n THR 71 Ca 0.00 1.73 -0.26 0.00 -2.04 0.00 0.00 64.05 63.48 2jpq n THR 71 Cb 0.00 -6.47 -0.06 0.00 -1.82 0.00 0.00 70.33 61.98 2jpq n THR 71 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2jpq s PRO 72 N -1.29 2.37 -0.25 -2.82 0.04 -1.26 -4.91 135.00 126.87 2jpq s PRO 72 Ca -0.04 -0.70 -0.08 0.00 0.04 0.00 0.00 61.00 60.22 2jpq s PRO 72 Cb 0.00 -5.13 -0.03 0.00 0.04 0.00 0.00 34.50 29.38 2jpq s PRO 72 CO 0.68 -3.90 0.08 0.15 0.04 0.00 0.00 177.00 174.05 2jpq s LYS 73 N 6.95 3.70 0.53 4.56 -0.14 -1.26 -5.10 119.74 128.98 2jpq s LYS 73 Ca 0.71 -0.45 -0.17 0.00 -1.36 0.00 0.00 55.97 54.70 2jpq s LYS 73 Cb -0.04 -3.36 -0.07 0.00 -1.68 0.00 0.00 37.83 32.69 2jpq s LYS 73 CO 0.08 -0.16 1.01 0.95 -0.76 0.00 0.00 175.35 176.47 2jpq s THR 74 N 1.57 4.22 0.27 2.17 -4.23 -1.26 -4.96 115.64 113.42 2jpq s THR 74 Ca 0.06 1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 61.68 2jpq s THR 74 Cb -0.15 -3.58 0.26 0.00 1.34 0.00 0.00 72.50 70.37 2jpq s THR 74 CO 0.04 -0.55 1.85 0.45 -0.54 0.00 0.00 174.62 175.87 2jpq h HIS 75 N 0.93 1.11 -3.33 3.99 3.86 -2.03 -3.25 115.15 116.42 2jpq h HIS 75 Ca -0.47 0.03 -0.63 0.00 -1.16 0.00 0.00 60.37 58.14 2jpq h HIS 75 Cb 1.20 -0.36 -0.40 0.00 1.06 0.00 0.00 27.41 28.91 2jpq h HIS 75 CO 0.61 0.52 -0.71 -0.48 0.86 0.00 0.00 177.93 178.73 2jpq s LEU 76 N -10.21 3.59 0.00 2.43 2.34 -1.26 -5.04 118.68 110.53 2jpq s LEU 76 Ca -0.12 -2.34 0.00 0.00 0.06 0.00 0.00 54.13 51.73 2jpq s LEU 76 Cb 0.20 -1.31 0.00 0.00 -0.56 0.00 0.00 46.19 44.52 2jpq s LEU 76 CO 0.81 -0.33 0.00 1.21 -1.06 0.00 0.00 176.35 176.98 2jpq n GLU 77 N 3.97 0.00 0.00 1.48 2.13 -1.23 -4.86 120.64 122.14 2jpq n GLU 77 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2jpq n GLU 77 Cb 0.38 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.09 2jpq n GLU 77 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2jpq n HIS 78 N 0.00 0.00 -2.26 4.31 8.25 -1.26 -4.78 115.22 119.48 2jpq n HIS 78 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 2jpq n HIS 78 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 2jpq n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jpq s HIS 79 N 0.00 2.25 -0.15 4.41 5.65 -1.26 -4.68 115.29 121.50 2jpq s HIS 79 Ca 0.00 -0.28 0.20 0.00 0.25 0.00 0.00 55.06 55.23 2jpq s HIS 79 Cb 0.00 -4.28 0.37 0.00 -1.18 0.00 0.00 32.58 27.49 2jpq s HIS 79 CO 0.00 -1.46 1.59 0.45 -0.65 0.00 0.00 174.74 174.68 2jpq h HIS 80 N 9.06 0.00 0.00 3.88 -0.00 -2.02 -3.36 115.15 122.72 2jpq h HIS 80 Ca 0.29 0.00 -0.61 0.00 -0.00 0.00 0.00 60.37 60.05 2jpq h HIS 80 Cb 0.92 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.34 2jpq h HIS 80 CO 1.29 0.29 3.12 1.58 -0.00 0.00 0.00 177.93 184.21 2jpq n HIS 81 N -3.23 2.38 -1.57 2.45 -0.00 -1.26 -4.65 115.22 109.35 2jpq n HIS 81 Ca 0.02 -2.59 0.00 0.00 0.46 0.00 0.00 57.72 55.61 2jpq n HIS 81 Cb 0.60 -2.19 0.00 0.00 -0.12 0.00 0.00 29.99 28.28 2jpq n HIS 81 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jpq n HIS 82 N 5.05 -2.46 -0.47 1.57 -0.00 -1.26 -5.25 115.22 112.40 2jpq n HIS 82 Ca 0.59 1.47 0.00 0.00 -0.00 0.00 0.00 57.72 59.78 2jpq n HIS 82 Cb 0.28 -2.91 0.00 0.00 -0.00 0.00 0.00 29.99 27.36 2jpq n HIS 82 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95