#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtq s GLU 2 N 0.00 0.67 0.11 0.00 2.12 -1.26 -0.98 118.70 119.35 2jtq s GLU 2 Ca 0.00 0.00 -0.05 0.00 0.36 0.00 0.00 54.97 55.28 2jtq s GLU 2 Cb 0.00 0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.67 2jtq s GLU 2 CO 0.00 -0.17 0.13 -1.01 -0.54 0.00 0.00 175.26 173.67 2jtq s HIS 3 N -1.01 0.44 -0.11 5.30 3.76 -0.52 -4.87 115.29 118.29 2jtq s HIS 3 Ca -0.11 -0.88 0.02 0.00 -0.15 0.00 0.00 55.06 53.95 2jtq s HIS 3 Cb -0.04 -0.22 0.01 0.00 1.11 0.00 0.00 32.58 33.44 2jtq s HIS 3 CO 0.04 -0.54 -0.15 -1.58 -0.85 0.00 0.00 174.74 171.66 2jtq s TRP 4 N -3.94 1.96 -0.26 1.40 0.52 -1.26 -0.60 118.94 116.76 2jtq s TRP 4 Ca 0.12 -0.91 0.02 0.00 0.02 0.00 0.00 56.10 55.35 2jtq s TRP 4 Cb 0.06 -1.41 0.07 0.00 -1.15 0.00 0.00 33.47 31.04 2jtq s TRP 4 CO -0.05 -0.46 -0.04 0.42 0.02 0.00 0.00 176.95 176.83 2jtq s ILE 5 N 0.95 1.78 -0.71 2.03 -1.09 -0.44 -1.40 121.20 122.32 2jtq s ILE 5 Ca -0.07 -1.52 -0.26 0.00 -2.23 0.00 0.00 60.65 56.57 2jtq s ILE 5 Cb -0.15 -2.06 -0.00 0.00 -1.58 0.00 0.00 42.46 38.67 2jtq s ILE 5 CO -0.01 -0.19 1.65 -0.62 -1.23 0.00 0.00 174.94 174.53 2jtq s ASP 6 N 1.25 5.64 0.00 3.58 2.15 0.26 -1.88 116.67 127.67 2jtq s ASP 6 Ca -0.03 -0.16 0.13 0.00 0.43 0.00 0.00 52.55 52.92 2jtq s ASP 6 Cb -0.19 -2.55 0.77 0.00 -0.30 0.00 0.00 42.92 40.65 2jtq s ASP 6 CO -0.07 -2.18 1.39 1.33 -0.17 0.00 0.00 175.17 175.47 2jtq n VAL 7 N 6.98 0.00 -1.37 1.11 0.24 0.61 -2.04 118.33 123.86 2jtq n VAL 7 Ca 0.18 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.18 2jtq n VAL 7 Cb 0.50 -0.30 0.11 0.00 -1.47 0.00 0.00 33.84 32.69 2jtq n VAL 7 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2jtq s ARG 8 N -2.00 1.69 0.39 7.34 3.52 -1.26 -1.93 118.95 126.71 2jtq s ARG 8 Ca 0.19 0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 56.28 2jtq s ARG 8 Cb 0.09 -1.86 -0.11 0.00 -1.56 0.00 0.00 34.95 31.51 2jtq s ARG 8 CO 0.15 -1.92 1.32 1.33 -0.81 0.00 0.00 175.30 175.37 2jtq n VAL 9 N -3.65 2.30 0.16 7.11 0.24 -1.26 -3.92 118.33 119.31 2jtq n VAL 9 Ca 0.07 -0.50 0.01 0.00 -2.04 0.00 0.00 64.34 61.88 2jtq n VAL 9 Cb 0.56 -1.65 0.28 0.00 -1.47 0.00 0.00 33.84 31.56 2jtq n VAL 9 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jtq h PRO 10 N 2.38 0.00 -0.71 7.34 0.13 -1.95 -3.21 132.00 135.98 2jtq h PRO 10 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2jtq h PRO 10 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 2jtq h PRO 10 CO 0.61 0.48 0.21 0.93 -0.23 0.00 0.00 178.00 180.01 2jtq h GLU 11 N 0.00 1.11 0.00 0.86 3.07 -2.04 -2.25 114.58 115.33 2jtq h GLU 11 Ca -0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2jtq h GLU 11 Cb 0.87 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2jtq h GLU 11 CO 0.06 0.96 0.00 1.96 -1.40 0.00 0.00 179.01 180.59 2jtq h GLN 12 N 1.05 0.00 -0.31 2.33 4.20 -1.95 -3.00 115.11 117.42 2jtq h GLN 12 Ca 0.23 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.97 2jtq h GLN 12 Cb 0.32 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2jtq h GLN 12 CO -0.01 0.00 0.21 -0.92 -0.67 0.00 0.00 178.83 177.44 2jtq h TYR 13 N 0.00 0.29 0.00 2.96 3.20 -1.50 -0.77 116.97 121.15 2jtq h TYR 13 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2jtq h TYR 13 Cb 0.47 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2jtq h TYR 13 CO 0.00 0.17 -0.07 1.96 -1.64 0.00 0.00 178.16 178.58 2jtq h GLN 14 N 0.30 0.00 0.01 1.82 4.20 -1.68 -3.24 115.11 116.52 2jtq h GLN 14 Ca 0.13 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.71 2jtq h GLN 14 Cb 0.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.94 2jtq h GLN 14 CO -0.03 0.07 -0.51 1.96 -0.67 0.00 0.00 178.83 179.65 2jtq h GLN 15 N 0.00 0.34 -1.94 1.46 1.08 -1.33 -2.47 115.11 112.25 2jtq h GLN 15 Ca -0.00 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 56.82 2jtq h GLN 15 Cb 0.12 0.11 -0.22 0.00 -0.05 0.00 0.00 27.48 27.44 2jtq h GLN 15 CO 0.01 1.06 0.14 -2.00 -0.95 0.00 0.00 178.83 177.09 2jtq s GLU 16 N -3.14 0.75 0.09 1.46 2.12 -1.22 -2.31 118.70 116.45 2jtq s GLU 16 Ca -0.14 1.02 -0.18 0.00 0.36 0.00 0.00 54.97 56.02 2jtq s GLU 16 Cb 0.03 0.30 0.04 0.00 0.26 0.00 0.00 34.13 34.76 2jtq s GLU 16 CO 0.80 -0.11 0.44 -3.38 -0.54 0.00 0.00 175.26 172.47 2jtq s HIS 17 N 0.79 -0.29 0.30 5.30 -3.43 -0.18 -4.66 115.29 113.12 2jtq s HIS 17 Ca -0.03 0.12 -0.29 0.00 -0.80 0.00 0.00 55.06 54.06 2jtq s HIS 17 Cb -0.05 0.29 -0.10 0.00 -1.43 0.00 0.00 32.58 31.29 2jtq s HIS 17 CO -0.07 -0.67 1.19 0.08 -2.00 0.00 0.00 174.74 173.27 2jtq s VAL 18 N -3.21 3.15 0.27 -5.38 1.01 -1.26 -0.71 120.40 114.27 2jtq s VAL 18 Ca -0.01 1.16 -0.31 0.00 0.00 0.00 0.00 61.98 62.83 2jtq s VAL 18 Cb 0.00 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 2jtq s VAL 18 CO -0.08 0.28 1.55 0.00 0.00 0.00 0.00 175.10 176.85 2jtq n GLN 19 N 1.02 2.50 -0.94 2.72 6.02 -0.21 -2.67 117.38 125.83 2jtq n GLN 19 Ca -0.01 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.88 2jtq n GLN 19 Cb 0.43 -2.64 0.00 0.00 1.02 0.00 0.00 30.24 29.05 2jtq n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jtq n GLY 20 N 2.31 0.66 3.68 1.08 0.00 -1.26 -5.01 105.19 106.65 2jtq n GLY 20 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2jtq n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtq s ALA 21 N -2.83 1.05 0.15 4.61 0.00 -1.09 -4.76 121.76 118.90 2jtq s ALA 21 Ca 0.00 -0.86 0.10 0.00 0.00 0.00 0.00 51.96 51.20 2jtq s ALA 21 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 2jtq s ALA 21 CO 0.00 -3.15 -0.24 0.42 0.00 0.00 0.00 175.76 172.79 2jtq s ILE 22 N -3.18 2.17 -0.13 0.00 -1.09 -0.49 -5.00 121.20 113.47 2jtq s ILE 22 Ca 0.70 -1.84 -0.01 0.00 -2.23 0.00 0.00 60.65 57.27 2jtq s ILE 22 Cb -0.11 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 2jtq s ILE 22 CO 0.55 -0.04 -0.09 0.21 -1.23 0.00 0.00 174.94 174.34 2jtq s ASN 23 N -2.31 4.39 -0.11 3.58 3.84 -1.26 -0.58 114.94 122.49 2jtq s ASN 23 Ca 0.15 -0.21 -0.05 0.00 0.21 0.00 0.00 52.86 52.97 2jtq s ASN 23 Cb -0.09 -1.58 0.05 0.00 -0.55 0.00 0.00 41.25 39.08 2jtq s ASN 23 CO 0.07 0.20 0.24 -0.63 -2.79 0.00 0.00 177.10 174.19 2jtq s ILE 24 N 0.15 -0.25 0.50 -5.21 1.01 -0.86 -4.96 121.20 111.58 2jtq s ILE 24 Ca -0.04 0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.62 2jtq s ILE 24 Cb -0.14 -0.40 -0.06 0.00 0.01 0.00 0.00 42.46 41.87 2jtq s ILE 24 CO 0.04 0.10 1.26 -2.16 0.00 0.00 0.00 174.94 174.17 2jtq s PRO 25 N 1.95 3.46 0.40 2.79 0.04 -1.25 -3.89 135.00 138.49 2jtq s PRO 25 Ca -0.03 1.99 0.16 0.00 0.04 0.00 0.00 61.00 63.17 2jtq s PRO 25 Cb -0.11 -2.33 1.04 0.00 0.04 0.00 0.00 34.50 33.14 2jtq s PRO 25 CO -0.08 -0.86 1.84 1.25 0.04 0.00 0.00 177.00 179.19 2jtq h LEU 26 N 1.76 0.45 -0.63 -3.56 5.85 -1.63 0.14 115.31 117.68 2jtq h LEU 26 Ca -0.50 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.32 2jtq h LEU 26 Cb 1.27 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2jtq h LEU 26 CO 0.59 0.18 0.36 0.50 -0.34 0.00 0.00 178.44 179.72 2jtq h LYS 27 N 0.45 0.66 -0.07 1.25 3.64 -1.90 -2.52 116.57 118.08 2jtq h LYS 27 Ca 0.49 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.60 2jtq h LYS 27 Cb 1.15 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2jtq h LYS 27 CO -0.20 0.44 -0.88 0.93 -2.27 0.00 0.00 179.45 177.47 2jtq h GLU 28 N 0.68 0.65 -0.90 1.90 5.08 -1.12 -3.32 114.58 117.55 2jtq h GLU 28 Ca 0.27 -0.60 0.20 0.00 -1.00 0.00 0.00 59.36 58.23 2jtq h GLU 28 Cb 0.13 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.42 2jtq h GLU 28 CO -0.16 1.21 0.44 0.28 -1.00 0.00 0.00 179.01 179.79 2jtq h VAL 29 N 0.41 0.58 0.00 3.13 2.07 -0.84 0.29 116.25 121.89 2jtq h VAL 29 Ca -0.08 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2jtq h VAL 29 Cb 1.51 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2jtq h VAL 29 CO 0.17 0.09 0.00 1.17 0.02 0.00 0.00 177.57 179.02 2jtq n LYS 30 N -4.95 0.19 0.01 1.57 4.81 -1.11 -1.07 118.16 117.60 2jtq n LYS 30 Ca 0.21 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 2jtq n LYS 30 Cb 0.58 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.13 2jtq n LYS 30 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2jtq n GLU 31 N -1.15 0.00 0.27 1.64 4.07 -0.25 -4.87 120.64 120.36 2jtq n GLU 31 Ca 0.05 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.30 2jtq n GLU 31 Cb 0.05 -0.38 0.73 0.00 -0.06 0.00 0.00 31.44 31.78 2jtq n GLU 31 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2jtq h ARG 32 N 0.00 0.00 -0.49 5.31 2.43 -0.36 -1.30 114.38 119.96 2jtq h ARG 32 Ca 0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2jtq h ARG 32 Cb 0.68 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 2jtq h ARG 32 CO 0.00 0.10 0.33 0.97 -1.51 0.00 0.00 179.97 179.85 2jtq h ILE 33 N 0.00 1.07 -0.62 1.20 6.09 -1.29 -0.36 117.51 123.59 2jtq h ILE 33 Ca -0.00 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 63.28 2jtq h ILE 33 Cb 0.41 0.44 -0.03 0.00 0.47 0.00 0.00 36.82 38.11 2jtq h ILE 33 CO 0.01 0.11 0.33 0.00 -3.07 0.00 0.00 178.15 175.53 2jtq h ALA 34 N 1.71 1.42 -0.12 0.18 0.00 -1.45 0.30 119.26 121.29 2jtq h ALA 34 Ca 0.20 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2jtq h ALA 34 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2jtq h ALA 34 CO -0.05 0.48 -0.42 1.15 0.00 0.00 0.00 179.25 180.41 2jtq h THR 35 N 0.86 1.37 0.06 0.00 2.02 -1.40 -3.10 112.91 112.72 2jtq h THR 35 Ca 0.22 -1.72 -0.25 0.00 0.77 0.00 0.00 66.41 65.42 2jtq h THR 35 Cb 0.04 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2jtq h THR 35 CO -0.03 0.52 -1.22 0.00 0.37 0.00 0.00 175.52 175.15 2jtq h ALA 36 N 0.51 0.29 -1.68 6.16 0.00 -0.74 -3.40 119.26 120.39 2jtq h ALA 36 Ca -0.02 -0.98 -0.49 0.00 0.00 0.00 0.00 54.91 53.42 2jtq h ALA 36 Cb 1.05 0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.51 2jtq h ALA 36 CO 0.09 1.17 -0.97 0.28 0.00 0.00 0.00 179.25 179.82 2jtq n VAL 37 N -3.40 -0.63 0.27 0.00 0.31 0.10 -4.98 118.33 110.00 2jtq n VAL 37 Ca -0.07 -3.42 0.13 0.00 -0.01 0.00 0.00 64.34 60.97 2jtq n VAL 37 Cb 0.99 -1.25 0.73 0.00 -0.91 0.00 0.00 33.84 33.40 2jtq n VAL 37 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jtq h PRO 38 N 4.24 0.00 -6.16 5.55 0.13 -1.67 -3.40 132.00 130.69 2jtq h PRO 38 Ca 0.06 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.67 2jtq h PRO 38 Cb 0.92 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.99 2jtq h PRO 38 CO 0.41 0.11 1.21 0.34 -0.23 0.00 0.00 178.00 179.85 2jtq s ASP 39 N -6.09 5.69 0.39 1.44 2.15 -1.26 -4.87 116.67 114.12 2jtq s ASP 39 Ca -0.03 -0.04 0.27 0.00 0.43 0.00 0.00 52.55 53.18 2jtq s ASP 39 Cb 0.13 -2.54 1.43 0.00 -0.30 0.00 0.00 42.92 41.64 2jtq s ASP 39 CO 0.58 -2.12 1.81 0.11 -0.17 0.00 0.00 175.17 175.38 2jtq h LYS 40 N 12.60 0.00 -0.43 4.34 1.57 -1.93 -1.66 116.57 131.06 2jtq h LYS 40 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2jtq h LYS 40 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2jtq h LYS 40 CO 1.25 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 178.42 2jtq n ASN 41 N -2.43 2.96 -4.76 0.86 5.15 -1.26 -1.11 115.26 114.67 2jtq n ASN 41 Ca -0.02 -1.94 -0.38 0.00 -0.60 0.00 0.00 54.58 51.65 2jtq n ASN 41 Cb 0.05 -0.29 0.01 0.00 -0.53 0.00 0.00 39.78 39.02 2jtq n ASN 41 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jtq s ASP 42 N -1.28 5.88 -1.24 1.20 2.15 -0.63 -4.65 116.67 118.10 2jtq s ASP 42 Ca 0.38 2.47 -0.19 0.00 0.43 0.00 0.00 52.55 55.63 2jtq s ASP 42 Cb 0.21 -2.62 0.04 0.00 -0.30 0.00 0.00 42.92 40.25 2jtq s ASP 42 CO 0.28 -1.13 1.74 -0.89 -0.17 0.00 0.00 175.17 175.00 2jtq s THR 43 N -1.45 3.99 -0.11 1.71 2.01 -0.15 -4.20 115.64 117.44 2jtq s THR 43 Ca 0.66 -1.60 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 2jtq s THR 43 Cb -0.33 -5.06 -0.02 0.00 0.01 0.00 0.00 72.50 67.10 2jtq s THR 43 CO 0.40 -1.84 1.18 -0.69 -0.69 0.00 0.00 174.62 172.98 2jtq s VAL 44 N 5.49 4.36 -0.43 3.82 1.01 -1.21 -1.43 120.40 132.01 2jtq s VAL 44 Ca 0.56 1.66 -0.09 0.00 0.00 0.00 0.00 61.98 64.12 2jtq s VAL 44 Cb 0.03 -4.07 0.09 0.00 0.00 0.00 0.00 36.38 32.42 2jtq s VAL 44 CO 0.07 -0.06 0.27 -0.54 0.00 0.00 0.00 175.10 174.84 2jtq s LYS 45 N 2.68 2.53 0.13 2.72 1.02 0.23 -0.85 119.74 128.20 2jtq s LYS 45 Ca 0.54 -1.55 -0.25 0.00 0.02 0.00 0.00 55.97 54.72 2jtq s LYS 45 Cb -0.22 -3.79 -0.07 0.00 -0.52 0.00 0.00 37.83 33.23 2jtq s LYS 45 CO 0.18 -1.01 0.78 0.14 -0.92 0.00 0.00 175.35 174.52 2jtq s VAL 46 N 1.38 4.47 0.28 3.17 -7.23 -0.68 -1.33 120.40 120.47 2jtq s VAL 46 Ca 0.04 1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 61.81 2jtq s VAL 46 Cb -0.24 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.56 2jtq s VAL 46 CO 0.01 0.47 0.50 -0.72 -0.31 0.00 0.00 175.10 175.05 2jtq s TYR 47 N -0.80 0.50 0.02 2.82 1.13 -0.79 -1.62 117.35 118.61 2jtq s TYR 47 Ca 0.37 -0.86 -0.28 0.00 -1.41 0.00 0.00 57.07 54.89 2jtq s TYR 47 Cb -0.22 0.17 0.10 0.00 -1.10 0.00 0.00 41.96 40.91 2jtq s TYR 47 CO 0.26 -1.07 0.93 0.00 -2.51 0.00 0.00 175.55 173.16 2jtq n ASN 49 N -0.29 0.59 -3.81 0.00 5.15 -1.26 -0.60 115.26 115.05 2jtq n ASN 49 Ca -0.08 0.70 -0.30 0.00 -0.60 0.00 0.00 54.58 54.30 2jtq n ASN 49 Cb 0.61 -0.80 -0.15 0.00 -0.53 0.00 0.00 39.78 38.91 2jtq n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jtq s ALA 50 N -3.39 1.68 0.65 5.20 0.00 -1.26 -4.42 121.76 120.22 2jtq s ALA 50 Ca 0.02 -1.50 0.40 0.00 0.00 0.00 0.00 51.96 50.87 2jtq s ALA 50 Cb 0.08 -1.53 2.21 0.00 0.00 0.00 0.00 23.12 23.88 2jtq s ALA 50 CO 0.30 -1.46 2.31 0.78 0.00 0.00 0.00 175.76 177.68 2jtq h GLY 51 N 8.04 0.00 -0.07 0.00 0.00 -1.79 -2.88 103.07 106.36 2jtq h GLY 51 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.31 2jtq h GLY 51 CO 0.44 0.00 -0.03 0.07 0.00 0.00 0.00 176.54 177.02 2jtq h ARG 52 N 0.00 0.09 0.00 4.80 0.11 -1.95 -0.19 114.38 117.24 2jtq h ARG 52 Ca 0.00 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 2jtq h ARG 52 Cb 0.07 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 2jtq h ARG 52 CO -0.00 0.06 -0.24 -0.56 0.10 0.00 0.00 179.97 179.33 2jtq h GLN 53 N 0.09 0.00 -0.72 0.08 3.07 -1.92 -2.05 115.11 113.66 2jtq h GLN 53 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.03 2jtq h GLN 53 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.02 2jtq h GLN 53 CO -0.54 0.22 0.36 0.77 0.09 0.00 0.00 178.83 179.74 2jtq h SER 54 N 0.00 0.93 -0.02 0.06 0.02 -1.43 0.54 113.55 113.65 2jtq h SER 54 Ca -0.00 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2jtq h SER 54 Cb 1.17 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 2jtq h SER 54 CO 0.03 0.79 0.01 1.23 -1.14 0.00 0.00 176.83 177.74 2jtq h GLY 55 N 1.00 0.04 1.00 -3.77 0.00 -0.77 -1.36 103.07 99.20 2jtq h GLY 55 Ca 0.25 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.59 2jtq h GLY 55 CO -0.03 0.02 0.59 -1.61 0.00 0.00 0.00 176.54 175.51 2jtq h GLN 56 N -0.18 1.11 -0.44 4.80 5.75 -1.32 -2.09 115.11 122.74 2jtq h GLN 56 Ca 0.01 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 2jtq h GLN 56 Cb 0.22 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 2jtq h GLN 56 CO -0.00 0.73 0.01 0.00 -2.65 0.00 0.00 178.83 176.93 2jtq h ALA 57 N 1.47 1.20 -0.62 3.38 0.00 -0.60 -1.28 119.26 122.81 2jtq h ALA 57 Ca 0.36 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jtq h ALA 57 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2jtq h ALA 57 CO -0.11 0.53 0.40 -0.22 0.00 0.00 0.00 179.25 179.85 2jtq h LYS 58 N 0.67 0.79 -0.37 0.00 3.64 -0.53 -0.77 116.57 120.00 2jtq h LYS 58 Ca 0.14 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 2jtq h LYS 58 Cb 0.40 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2jtq h LYS 58 CO 0.01 0.52 -0.25 0.93 -2.27 0.00 0.00 179.45 178.39 2jtq h GLU 59 N 0.81 0.82 0.04 1.90 5.08 -1.32 -1.47 114.58 120.43 2jtq h GLU 59 Ca 0.23 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2jtq h GLU 59 Cb -0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2jtq h GLU 59 CO -0.07 1.02 -0.08 0.82 -1.00 0.00 0.00 179.01 179.71 2jtq h ILE 60 N 0.61 0.80 -0.07 3.13 2.04 -1.01 0.01 117.51 123.03 2jtq h ILE 60 Ca 0.07 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.80 2jtq h ILE 60 Cb 0.82 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2jtq h ILE 60 CO 0.07 0.00 -0.53 -0.07 0.00 0.00 0.00 178.15 177.62 2jtq h LEU 61 N -0.16 0.22 -0.77 1.44 3.38 -1.06 -0.34 115.31 118.02 2jtq h LEU 61 Ca 0.02 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2jtq h LEU 61 Cb 0.18 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2jtq h LEU 61 CO -0.05 0.71 0.27 0.28 0.09 0.00 0.00 178.44 179.74 2jtq h SER 62 N 0.16 1.09 -0.19 -0.43 0.02 -1.06 -1.76 113.55 111.38 2jtq h SER 62 Ca 0.00 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 2jtq h SER 62 Cb 0.98 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 2jtq h SER 62 CO 0.08 0.99 -0.13 -0.08 -1.14 0.00 0.00 176.83 176.54 2jtq h GLU 63 N 1.13 0.58 0.00 3.45 4.81 -0.41 -0.97 114.58 123.17 2jtq h GLU 63 Ca 0.25 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2jtq h GLU 63 Cb 0.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2jtq h GLU 63 CO -0.01 0.70 0.00 -1.33 -0.73 0.00 0.00 179.01 177.63 2jtq n MET 64 N -4.18 0.10 -0.38 1.92 2.81 -0.19 -4.88 117.12 112.31 2jtq n MET 64 Ca 0.01 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2jtq n MET 64 Cb 0.34 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2jtq n MET 64 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jtq n GLY 65 N -0.24 0.81 3.75 3.03 0.00 -0.37 -5.06 105.19 107.12 2jtq n GLY 65 Ca 0.05 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2jtq n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtq s TYR 66 N -2.00 3.03 -0.39 1.61 1.51 -0.70 -4.92 117.35 115.49 2jtq s TYR 66 Ca 0.00 1.20 0.17 0.00 -1.01 0.00 0.00 57.07 57.43 2jtq s TYR 66 Cb 0.00 -3.75 -0.23 0.00 -0.11 0.00 0.00 41.96 37.87 2jtq s TYR 66 CO 0.00 -2.30 0.54 0.25 -1.11 0.00 0.00 175.55 172.93 2jtq n THR 67 N 1.71 0.00 -1.65 -0.71 -2.24 -0.26 -4.36 114.28 106.76 2jtq n THR 67 Ca 0.04 -0.26 0.06 0.00 -2.27 0.00 0.00 64.05 61.62 2jtq n THR 67 Cb 0.41 0.53 0.17 0.00 -2.10 0.00 0.00 70.33 69.34 2jtq n THR 67 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2jtq n HIS 68 N -1.76 0.00 -1.89 4.78 8.25 -1.26 -5.04 115.22 118.30 2jtq n HIS 68 Ca -0.00 -1.28 -0.41 0.00 -0.26 0.00 0.00 57.72 55.76 2jtq n HIS 68 Cb 0.36 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 2jtq n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jtq s VAL 69 N -2.72 2.37 0.02 1.59 1.01 -1.26 -3.30 120.40 118.11 2jtq s VAL 69 Ca 0.36 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.67 2jtq s VAL 69 Cb 0.35 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2jtq s VAL 69 CO -0.07 0.05 -0.09 -0.70 0.00 0.00 0.00 175.10 174.29 2jtq s GLU 70 N -0.33 0.62 -0.45 2.72 2.56 -0.02 -4.95 118.70 118.83 2jtq s GLU 70 Ca 0.62 -0.54 -0.18 0.00 0.00 0.00 0.00 54.97 54.87 2jtq s GLU 70 Cb -0.45 -0.53 0.04 0.00 2.00 0.00 0.00 34.13 35.19 2jtq s GLU 70 CO 0.45 0.13 0.52 1.21 -0.56 0.00 0.00 175.26 177.00 2jtq s ASN 71 N -0.89 6.22 0.11 -1.70 3.84 -1.26 -1.68 114.94 119.58 2jtq s ASN 71 Ca -0.02 -0.77 -0.09 0.00 0.21 0.00 0.00 52.86 52.19 2jtq s ASN 71 Cb -0.06 -2.25 -0.13 0.00 -0.55 0.00 0.00 41.25 38.25 2jtq s ASN 71 CO 0.00 -0.71 1.29 0.00 -2.79 0.00 0.00 177.10 174.90 2jtq h ALA 72 N 8.83 0.31 0.00 1.71 0.00 -1.63 -3.48 119.26 125.01 2jtq h ALA 72 Ca -0.27 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2jtq h ALA 72 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jtq h ALA 72 CO 0.87 0.72 0.00 0.41 0.00 0.00 0.00 179.25 181.25 2jtq n GLY 73 N 0.84 0.49 3.86 0.00 0.00 -1.25 -4.77 105.19 104.36 2jtq n GLY 73 Ca -0.08 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 2jtq n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtq s GLY 74 N 0.00 2.39 0.53 -0.02 0.00 -1.26 -3.64 107.32 105.31 2jtq s GLY 74 Ca 0.00 -0.32 0.20 0.00 0.00 0.00 0.00 44.72 44.60 2jtq s GLY 74 CO 0.00 -0.05 2.16 -2.00 0.00 0.00 0.00 173.10 173.20 2jtq h LEU 75 N 4.00 0.00 -1.24 0.66 5.85 -1.06 -0.50 115.31 123.02 2jtq h LEU 75 Ca -0.50 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.15 2jtq h LEU 75 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2jtq h LEU 75 CO 0.65 0.03 -0.30 0.11 -0.34 0.00 0.00 178.44 178.59 2jtq h LYS 76 N 0.00 0.14 0.04 1.25 1.57 -1.85 -3.06 116.57 114.66 2jtq h LYS 76 Ca -0.00 -0.05 -0.29 0.00 -1.87 0.00 0.00 60.65 58.44 2jtq h LYS 76 Cb 0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2jtq h LYS 76 CO 0.00 0.43 -1.57 0.22 -0.57 0.00 0.00 179.45 177.96 2jtq h ASP 77 N 0.12 0.14 -3.31 0.86 3.58 -1.53 -3.46 116.42 112.83 2jtq h ASP 77 Ca 0.02 -0.24 -0.53 0.00 0.42 0.00 0.00 57.03 56.69 2jtq h ASP 77 Cb 0.59 -0.05 0.09 0.00 1.72 0.00 0.00 39.33 41.68 2jtq h ASP 77 CO 0.04 1.21 0.89 -0.38 -2.88 0.00 0.00 179.24 178.12 2jtq n ILE 78 N -3.25 1.04 -3.83 2.25 5.41 -0.80 -4.98 119.36 115.20 2jtq n ILE 78 Ca -0.15 -0.26 -0.29 0.00 1.00 0.00 0.00 62.75 63.04 2jtq n ILE 78 Cb 1.03 -1.98 -0.13 0.00 -0.71 0.00 0.00 39.64 37.85 2jtq n ILE 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jtq s ALA 79 N -0.02 2.96 -0.04 -1.39 0.00 -1.26 -4.95 121.76 117.06 2jtq s ALA 79 Ca 0.64 -3.15 -0.13 0.00 0.00 0.00 0.00 51.96 49.32 2jtq s ALA 79 Cb -0.49 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 20.61 2jtq s ALA 79 CO 0.49 -2.05 0.28 1.41 0.00 0.00 0.00 175.76 175.89 2jtq s MET 80 N -0.35 0.56 0.23 0.00 0.00 -1.26 -5.14 119.30 113.33 2jtq s MET 80 Ca 0.20 -0.06 -0.30 0.00 0.00 0.00 0.00 55.69 55.52 2jtq s MET 80 Cb -0.19 0.25 -0.15 0.00 0.00 0.00 0.00 34.83 34.75 2jtq s MET 80 CO -0.05 -0.14 1.04 -2.30 0.00 0.00 0.00 175.02 173.57 2jtq n PRO 81 N 1.72 1.14 -4.41 4.11 -0.02 -1.26 -4.88 135.00 131.40 2jtq n PRO 81 Ca -0.20 0.40 -0.20 0.00 -2.02 0.00 0.00 63.50 61.49 2jtq n PRO 81 Cb 0.56 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.14 2jtq n PRO 81 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jtq s LYS 82 N -0.96 1.54 0.03 -0.52 1.02 -1.26 -1.05 119.74 118.55 2jtq s LYS 82 Ca 0.66 -1.82 0.03 0.00 0.02 0.00 0.00 55.97 54.85 2jtq s LYS 82 Cb -0.79 -0.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 2jtq s LYS 82 CO 0.56 -0.12 -0.09 0.08 -0.92 0.00 0.00 175.35 174.86 2jtq s VAL 83 N -3.28 0.67 0.17 3.17 1.01 0.11 -4.68 120.40 117.56 2jtq s VAL 83 Ca 0.33 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2jtq s VAL 83 Cb 0.07 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2jtq s VAL 83 CO 0.13 -0.13 0.15 -0.54 0.00 0.00 0.00 175.10 174.71 2jtq s LYS 84 N -1.05 1.11 0.00 2.72 1.02 -1.26 -1.01 119.74 121.27 2jtq s LYS 84 Ca -0.03 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.50 2jtq s LYS 84 Cb -0.07 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 2jtq s LYS 84 CO 0.00 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.48