#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 0.78 0.05 0.00 2.12 -1.26 -0.91 118.70 119.47 2jtq s GLU 2 Ca 0.00 0.11 -0.05 0.00 0.36 0.00 0.00 54.97 55.38 2jtq s GLU 2 Cb 0.00 0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 2jtq s GLU 2 CO 0.00 -0.21 0.10 -1.01 -0.54 0.00 0.00 175.26 173.60 2jtq s HIS 3 N -1.00 0.23 -0.15 5.30 3.76 -0.47 -4.87 115.29 118.08 2jtq s HIS 3 Ca -0.10 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 2jtq s HIS 3 Cb -0.03 -0.16 -0.00 0.00 1.11 0.00 0.00 32.58 33.50 2jtq s HIS 3 CO 0.05 -0.40 -0.16 -1.58 -0.85 0.00 0.00 174.74 171.81 2jtq s TRP 4 N -2.96 2.77 -0.21 1.40 0.52 -1.26 -0.58 118.94 118.63 2jtq s TRP 4 Ca -0.02 -1.04 0.01 0.00 0.02 0.00 0.00 56.10 55.07 2jtq s TRP 4 Cb 0.01 -1.88 0.04 0.00 -1.15 0.00 0.00 33.47 30.49 2jtq s TRP 4 CO -0.06 -0.47 -0.13 0.42 0.02 0.00 0.00 176.95 176.73 2jtq s ILE 5 N 0.79 1.86 -0.17 2.03 -1.09 -0.29 -1.09 121.20 123.24 2jtq s ILE 5 Ca -0.06 -1.14 -0.29 0.00 -2.23 0.00 0.00 60.65 56.93 2jtq s ILE 5 Cb -0.15 -1.88 -0.03 0.00 -1.58 0.00 0.00 42.46 38.82 2jtq s ILE 5 CO 0.00 0.21 1.50 -0.62 -1.23 0.00 0.00 174.94 174.80 2jtq s ASP 6 N 1.30 6.64 0.00 3.58 -1.08 0.26 -1.32 116.67 126.05 2jtq s ASP 6 Ca -0.02 1.76 0.02 0.00 -0.52 0.00 0.00 52.55 53.80 2jtq s ASP 6 Cb -0.16 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 38.81 2jtq s ASP 6 CO -0.09 -1.02 0.89 1.33 0.52 0.00 0.00 175.17 176.80 2jtq n VAL 7 N 5.87 0.65 -1.31 1.11 0.24 0.37 -1.47 118.33 123.78 2jtq n VAL 7 Ca 0.17 -0.82 -0.25 0.00 -2.04 0.00 0.00 64.34 61.39 2jtq n VAL 7 Cb 0.45 0.70 0.20 0.00 -1.47 0.00 0.00 33.84 33.71 2jtq n VAL 7 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2jtq n ARG 8 N -0.12 -2.12 -1.70 7.34 1.85 -1.25 -2.64 116.66 118.01 2jtq n ARG 8 Ca 0.02 -1.60 -0.40 0.00 -1.00 0.00 0.00 57.85 54.87 2jtq n ARG 8 Cb 0.21 -1.30 0.02 0.00 -1.05 0.00 0.00 32.46 30.34 2jtq n ARG 8 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2jtq n VAL 9 N -4.12 2.74 0.25 8.89 0.24 -1.26 -4.32 118.33 120.76 2jtq n VAL 9 Ca 0.13 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 62.07 2jtq n VAL 9 Cb 0.50 -1.57 0.62 0.00 -1.47 0.00 0.00 33.84 31.92 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 1.95 0.00 -0.82 7.34 0.13 -1.96 -3.13 132.00 135.51 2jtq h PRO 10 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2jtq h PRO 10 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2jtq h PRO 10 CO 0.59 0.12 0.54 0.93 -0.23 0.00 0.00 178.00 179.95 2jtq h GLU 11 N 0.00 1.07 -0.12 0.86 4.39 -2.01 -2.14 114.58 116.64 2jtq h GLU 11 Ca -0.00 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 2jtq h GLU 11 Cb 0.56 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2jtq h GLU 11 CO 0.02 0.71 -0.60 1.96 -1.16 0.00 0.00 179.01 179.94 2jtq h GLN 12 N 1.11 0.39 -0.19 2.33 4.20 -1.92 -2.82 115.11 118.21 2jtq h GLN 12 Ca 0.30 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2jtq h GLN 12 Cb -0.12 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2jtq h GLN 12 CO -0.07 0.87 0.06 -0.92 -0.67 0.00 0.00 178.83 178.10 2jtq h TYR 13 N 0.29 0.25 0.00 2.96 5.03 -1.53 0.01 116.97 123.99 2jtq h TYR 13 Ca -0.00 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 2jtq h TYR 13 Cb 1.13 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.32 2jtq h TYR 13 CO 0.03 0.22 -0.07 1.96 -1.32 0.00 0.00 178.16 178.98 2jtq h GLN 14 N 0.26 0.00 0.00 1.82 1.08 -1.22 -3.24 115.11 113.81 2jtq h GLN 14 Ca 0.07 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 2jtq h GLN 14 Cb 0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2jtq h GLN 14 CO -0.01 0.07 -0.46 1.96 -0.95 0.00 0.00 178.83 179.45 2jtq h GLN 15 N 0.00 0.00 -1.98 1.46 1.08 -1.03 -3.25 115.11 111.39 2jtq h GLN 15 Ca -0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2jtq h GLN 15 Cb 0.42 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 27.65 2jtq h GLN 15 CO 0.01 0.64 0.20 -2.00 -0.95 0.00 0.00 178.83 176.73 2jtq s GLU 16 N -2.14 1.00 0.14 1.46 2.12 -0.85 -1.10 118.70 119.34 2jtq s GLU 16 Ca -0.18 0.38 -0.13 0.00 0.36 0.00 0.00 54.97 55.41 2jtq s GLU 16 Cb 0.01 0.47 0.01 0.00 0.26 0.00 0.00 34.13 34.89 2jtq s GLU 16 CO 0.45 -0.28 0.34 -3.38 -0.54 0.00 0.00 175.26 171.84 2jtq s HIS 17 N -0.92 0.05 0.33 5.30 -3.43 -0.53 -4.18 115.29 111.91 2jtq s HIS 17 Ca -0.09 -0.42 -0.29 0.00 -0.80 0.00 0.00 55.06 53.47 2jtq s HIS 17 Cb -0.01 0.12 -0.11 0.00 -1.43 0.00 0.00 32.58 31.15 2jtq s HIS 17 CO 0.08 -0.70 1.45 0.08 -2.00 0.00 0.00 174.74 173.65 2jtq s VAL 18 N -3.87 2.32 0.14 -5.38 1.01 -1.26 -0.71 120.40 112.64 2jtq s VAL 18 Ca 0.08 0.30 -0.33 0.00 0.00 0.00 0.00 61.98 62.03 2jtq s VAL 18 Cb 0.03 -3.19 -0.13 0.00 0.00 0.00 0.00 36.38 33.09 2jtq s VAL 18 CO -0.07 0.06 1.70 1.67 0.00 0.00 0.00 175.10 178.46 2jtq n GLN 19 N 1.17 2.42 -0.96 2.72 7.27 -0.36 -2.14 117.38 127.51 2jtq n GLN 19 Ca 0.03 0.88 0.00 0.00 0.07 0.00 0.00 57.00 57.98 2jtq n GLN 19 Cb 0.40 -2.70 0.00 0.00 2.41 0.00 0.00 30.24 30.35 2jtq n GLN 19 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jtq n GLY 20 N 3.81 0.66 3.67 1.69 0.00 -1.26 -4.99 105.19 108.77 2jtq n GLY 20 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.78 0.95 0.31 4.61 0.00 -0.91 -4.77 121.76 119.16 2jtq s ALA 21 Ca 0.00 -0.60 0.09 0.00 0.00 0.00 0.00 51.96 51.45 2jtq s ALA 21 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 2jtq s ALA 21 CO 0.00 -3.02 0.02 0.42 0.00 0.00 0.00 175.76 173.19 2jtq s ILE 22 N -3.05 3.04 -0.06 0.00 -1.09 -0.25 -5.01 121.20 114.79 2jtq s ILE 22 Ca 0.67 -1.91 0.03 0.00 -2.23 0.00 0.00 60.65 57.22 2jtq s ILE 22 Cb -0.15 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 2jtq s ILE 22 CO 0.56 -0.28 -0.15 0.21 -1.23 0.00 0.00 174.94 174.06 2jtq s ASN 23 N -3.72 2.01 -0.16 3.58 3.84 -1.26 -0.58 114.94 118.66 2jtq s ASN 23 Ca 0.34 -0.34 -0.05 0.00 0.21 0.00 0.00 52.86 53.02 2jtq s ASN 23 Cb -0.03 -0.75 0.08 0.00 -0.55 0.00 0.00 41.25 39.99 2jtq s ASN 23 CO 0.20 0.10 0.31 -0.63 -2.79 0.00 0.00 177.10 174.29 2jtq s ILE 24 N 0.34 -0.49 0.58 -5.21 1.01 -0.54 -4.95 121.20 111.94 2jtq s ILE 24 Ca -0.10 0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.58 2jtq s ILE 24 Cb -0.14 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2jtq s ILE 24 CO 0.03 0.08 1.25 -2.16 0.00 0.00 0.00 174.94 174.15 2jtq s PRO 25 N 2.48 3.00 0.37 2.79 0.04 -1.26 -4.02 135.00 138.39 2jtq s PRO 25 Ca 0.01 1.95 0.13 0.00 0.04 0.00 0.00 61.00 63.13 2jtq s PRO 25 Cb -0.12 -2.02 0.93 0.00 0.04 0.00 0.00 34.50 33.33 2jtq s PRO 25 CO -0.10 -1.22 1.82 1.25 0.04 0.00 0.00 177.00 178.79 2jtq h LEU 26 N 1.04 0.58 -1.57 -3.56 5.85 -1.76 0.11 115.31 116.00 2jtq h LEU 26 Ca -0.51 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.31 2jtq h LEU 26 Cb 1.30 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 2jtq h LEU 26 CO 0.56 0.22 0.33 0.07 -0.34 0.00 0.00 178.44 179.28 2jtq h LYS 27 N 0.57 0.55 0.15 1.25 2.10 -1.90 -2.52 116.57 116.77 2jtq h LYS 27 Ca 0.52 -0.03 -0.32 0.00 -2.00 0.00 0.00 60.65 58.81 2jtq h LYS 27 Cb 1.05 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 2jtq h LYS 27 CO -0.26 0.36 -1.61 0.93 -2.00 0.00 0.00 179.45 176.88 2jtq h GLU 28 N 0.56 0.32 -0.94 0.07 5.08 -1.15 -3.37 114.58 115.15 2jtq h GLU 28 Ca 0.20 -0.55 0.22 0.00 -1.00 0.00 0.00 59.36 58.23 2jtq h GLU 28 Cb 0.11 0.20 -0.12 0.00 0.50 0.00 0.00 28.75 29.44 2jtq h GLU 28 CO -0.05 1.21 0.50 0.28 -1.00 0.00 0.00 179.01 179.94 2jtq h VAL 29 N 0.09 0.56 0.00 3.13 2.07 -0.93 0.28 116.25 121.45 2jtq h VAL 29 Ca -0.28 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2jtq h VAL 29 Cb 2.06 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2jtq h VAL 29 CO 0.18 0.10 0.00 1.17 0.02 0.00 0.00 177.57 179.03 2jtq n LYS 30 N -4.93 0.10 0.00 1.57 4.81 -1.15 -1.11 118.16 117.44 2jtq n LYS 30 Ca 0.23 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 2jtq n LYS 30 Cb 0.65 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.20 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 -1.24 0.00 0.24 1.64 2.13 -0.27 -4.88 120.64 118.26 2jtq n GLU 31 Ca 0.03 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.97 2jtq n GLU 31 Cb 0.04 -0.37 0.61 0.00 0.27 0.00 0.00 31.44 31.99 2jtq n GLU 31 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2jtq h ARG 32 N 0.00 0.00 -0.18 5.31 2.43 -0.41 -1.23 114.38 120.31 2jtq h ARG 32 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2jtq h ARG 32 Cb 0.64 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2jtq h ARG 32 CO 0.00 0.17 0.08 0.97 -1.51 0.00 0.00 179.97 179.68 2jtq h ILE 33 N 0.00 1.07 -0.42 1.20 6.09 -1.30 -1.18 117.51 122.97 2jtq h ILE 33 Ca -0.00 -0.21 -0.05 0.00 -1.37 0.00 0.00 64.86 63.23 2jtq h ILE 33 Cb 0.54 0.85 -0.02 0.00 0.47 0.00 0.00 36.82 38.66 2jtq h ILE 33 CO 0.02 0.08 0.06 0.00 -3.07 0.00 0.00 178.15 175.25 2jtq h ALA 34 N 1.84 1.34 -0.19 0.18 0.00 -1.44 0.38 119.26 121.38 2jtq h ALA 34 Ca 0.06 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2jtq h ALA 34 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jtq h ALA 34 CO -0.01 0.47 -0.23 1.15 0.00 0.00 0.00 179.25 180.63 2jtq h THR 35 N 0.61 1.34 0.00 0.00 2.02 -1.39 -2.98 112.91 112.52 2jtq h THR 35 Ca 0.14 -1.42 -0.20 0.00 0.77 0.00 0.00 66.41 65.69 2jtq h THR 35 Cb 0.29 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 2jtq h THR 35 CO 0.00 0.43 -1.07 0.00 0.37 0.00 0.00 175.52 175.26 2jtq h ALA 36 N 0.62 0.50 -1.41 6.16 0.00 -0.94 -3.41 119.26 120.79 2jtq h ALA 36 Ca 0.02 -0.93 -0.44 0.00 0.00 0.00 0.00 54.91 53.56 2jtq h ALA 36 Cb 0.79 -0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.26 2jtq h ALA 36 CO 0.06 1.18 -0.94 0.28 0.00 0.00 0.00 179.25 179.82 2jtq n VAL 37 N -3.24 -0.38 0.28 0.00 0.31 0.13 -4.97 118.33 110.46 2jtq n VAL 37 Ca -0.03 -3.40 0.16 0.00 -0.01 0.00 0.00 64.34 61.06 2jtq n VAL 37 Cb 0.92 -0.56 0.78 0.00 -0.91 0.00 0.00 33.84 34.06 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 3.69 0.00 -6.06 5.55 0.13 -1.65 -3.40 132.00 130.26 2jtq h PRO 38 Ca 0.02 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.64 2jtq h PRO 38 Cb 0.95 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.04 2jtq h PRO 38 CO 0.41 0.07 1.30 0.34 -0.23 0.00 0.00 178.00 179.89 2jtq s ASP 39 N -5.81 5.44 0.54 1.44 2.15 -1.26 -4.87 116.67 114.30 2jtq s ASP 39 Ca -0.01 0.25 0.36 0.00 0.43 0.00 0.00 52.55 53.57 2jtq s ASP 39 Cb 0.11 -2.53 1.95 0.00 -0.30 0.00 0.00 42.92 42.15 2jtq s ASP 39 CO 0.54 -2.26 2.10 0.11 -0.17 0.00 0.00 175.17 175.49 2jtq h LYS 40 N 14.06 0.00 -0.47 4.34 1.57 -1.93 -1.64 116.57 132.50 2jtq h LYS 40 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2jtq h LYS 40 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2jtq h LYS 40 CO 1.22 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 178.39 2jtq n ASN 41 N -2.76 3.21 -4.76 0.86 5.15 -1.26 -0.83 115.26 114.86 2jtq n ASN 41 Ca -0.02 -1.96 -0.39 0.00 -0.60 0.00 0.00 54.58 51.61 2jtq n ASN 41 Cb 0.06 -0.31 0.01 0.00 -0.53 0.00 0.00 39.78 39.01 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 -1.29 5.93 -1.22 1.20 2.15 -0.62 -4.64 116.67 118.17 2jtq s ASP 42 Ca 0.40 2.63 -0.20 0.00 0.43 0.00 0.00 52.55 55.81 2jtq s ASP 42 Cb 0.22 -2.63 0.02 0.00 -0.30 0.00 0.00 42.92 40.23 2jtq s ASP 42 CO 0.30 -1.11 1.77 -0.89 -0.17 0.00 0.00 175.17 175.07 2jtq s THR 43 N -1.34 3.91 -0.41 1.71 2.01 -0.09 -4.33 115.64 117.11 2jtq s THR 43 Ca 0.63 -1.46 -0.29 0.00 0.31 0.00 0.00 61.69 60.88 2jtq s THR 43 Cb -0.37 -4.96 0.01 0.00 0.01 0.00 0.00 72.50 67.19 2jtq s THR 43 CO 0.46 -1.69 1.33 -0.69 -0.69 0.00 0.00 174.62 173.35 2jtq s VAL 44 N 6.45 4.01 -0.72 3.82 1.01 -1.24 -1.37 120.40 132.37 2jtq s VAL 44 Ca 0.58 1.05 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 2jtq s VAL 44 Cb 0.02 -4.28 0.16 0.00 0.00 0.00 0.00 36.38 32.27 2jtq s VAL 44 CO 0.07 -0.76 0.75 -0.54 0.00 0.00 0.00 175.10 174.62 2jtq s LYS 45 N 4.70 3.32 0.25 2.72 1.02 0.26 -1.08 119.74 130.92 2jtq s LYS 45 Ca 0.57 -1.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.38 2jtq s LYS 45 Cb -0.13 -4.43 -0.09 0.00 -0.52 0.00 0.00 37.83 32.66 2jtq s LYS 45 CO 0.31 -1.44 1.09 0.14 -0.92 0.00 0.00 175.35 174.53 2jtq s VAL 46 N 1.53 3.63 0.04 3.17 -7.23 -0.72 -1.13 120.40 119.68 2jtq s VAL 46 Ca 0.15 1.57 -0.08 0.00 -1.81 0.00 0.00 61.98 61.81 2jtq s VAL 46 Cb -0.17 -4.00 -0.00 0.00 0.56 0.00 0.00 36.38 32.77 2jtq s VAL 46 CO -0.02 0.34 0.17 -0.72 -0.31 0.00 0.00 175.10 174.56 2jtq s TYR 47 N -0.90 0.09 0.00 2.82 1.13 -0.43 -1.12 117.35 118.95 2jtq s TYR 47 Ca 0.46 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.79 2jtq s TYR 47 Cb -0.31 -0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.49 2jtq s TYR 47 CO 0.39 -0.40 0.00 0.00 -2.51 0.00 0.00 175.55 173.02 2jtq h ASN 49 N 0.00 0.28 0.00 0.00 -0.73 -1.91 -0.99 115.58 112.23 2jtq h ASN 49 Ca 0.00 -0.43 0.00 0.00 1.87 0.00 0.00 56.30 57.74 2jtq h ASN 49 Cb 0.00 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.51 2jtq h ASN 49 CO 0.00 0.65 0.00 0.00 -0.37 0.00 0.00 177.43 177.71 2jtq n ALA 50 N -2.37 0.48 0.00 1.57 0.00 -1.26 -1.69 120.51 117.24 2jtq n ALA 50 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jtq n ALA 50 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 2jtq n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtq n GLY 51 N 0.17 0.24 0.05 0.00 0.00 -1.23 -2.79 105.19 101.63 2jtq n GLY 51 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2jtq n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jtq h ARG 52 N 0.00 -0.01 0.04 1.61 0.11 -1.98 0.20 114.38 114.35 2jtq h ARG 52 Ca 0.00 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.85 2jtq h ARG 52 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 2jtq h ARG 52 CO 0.00 0.08 -1.02 0.37 0.10 0.00 0.00 179.97 179.50 2jtq h GLN 53 N -0.10 0.28 0.00 0.08 4.15 -1.96 -2.92 115.11 114.65 2jtq h GLN 53 Ca -0.00 -0.36 -0.10 0.00 0.77 0.00 0.00 58.65 58.95 2jtq h GLN 53 Cb 0.10 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2jtq h GLN 53 CO 0.00 1.09 -0.49 0.66 -1.93 0.00 0.00 178.83 178.16 2jtq h SER 54 N 0.13 0.00 -0.09 -0.69 4.64 -1.82 0.06 113.55 115.77 2jtq h SER 54 Ca -0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2jtq h SER 54 Cb 1.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.78 2jtq h SER 54 CO 0.17 0.49 0.04 1.23 -0.87 0.00 0.00 176.83 177.89 2jtq h GLY 55 N 1.52 0.15 1.05 -0.77 0.00 -0.87 0.95 103.07 105.10 2jtq h GLY 55 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2jtq h GLY 55 CO 0.06 0.08 0.59 -1.61 0.00 0.00 0.00 176.54 175.66 2jtq h GLN 56 N -0.00 1.27 -0.82 4.80 5.75 -1.34 -2.47 115.11 122.30 2jtq h GLN 56 Ca 0.03 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 2jtq h GLN 56 Cb 0.16 -0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 2jtq h GLN 56 CO -0.00 0.87 0.39 0.00 -2.65 0.00 0.00 178.83 177.44 2jtq h ALA 57 N 1.36 1.15 -0.72 3.38 0.00 -0.59 -0.96 119.26 122.88 2jtq h ALA 57 Ca 0.34 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jtq h ALA 57 Cb -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 2jtq h ALA 57 CO -0.07 0.64 0.43 -0.22 0.00 0.00 0.00 179.25 180.04 2jtq h LYS 58 N 1.16 0.98 -0.31 0.00 3.64 -0.36 -0.40 116.57 121.28 2jtq h LYS 58 Ca 0.28 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 2jtq h LYS 58 Cb 0.11 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2jtq h LYS 58 CO -0.04 0.70 -0.16 0.93 -2.27 0.00 0.00 179.45 178.61 2jtq h GLU 59 N 0.98 0.67 -0.21 1.90 5.08 -1.26 -0.97 114.58 120.77 2jtq h GLU 59 Ca 0.26 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2jtq h GLU 59 Cb -0.03 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2jtq h GLU 59 CO -0.05 0.89 -0.07 0.82 -1.00 0.00 0.00 179.01 179.60 2jtq h ILE 60 N 0.43 0.74 -0.03 3.13 2.04 -0.87 -0.25 117.51 122.70 2jtq h ILE 60 Ca 0.07 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.79 2jtq h ILE 60 Cb 0.70 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2jtq h ILE 60 CO 0.05 0.00 -0.63 -0.07 0.00 0.00 0.00 178.15 177.50 2jtq h LEU 61 N -0.04 0.15 -0.73 1.44 3.38 -0.98 -0.40 115.31 118.14 2jtq h LEU 61 Ca 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jtq h LEU 61 Cb 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2jtq h LEU 61 CO -0.23 0.74 0.34 0.28 0.09 0.00 0.00 178.44 179.65 2jtq h SER 62 N 0.09 0.97 0.27 -0.43 0.02 -0.81 -1.34 113.55 112.32 2jtq h SER 62 Ca -0.01 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 2jtq h SER 62 Cb 1.13 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 2jtq h SER 62 CO 0.09 0.84 -0.39 -0.33 -1.14 0.00 0.00 176.83 175.90 2jtq h GLU 63 N 1.03 0.17 0.00 3.45 4.39 -0.62 -1.05 114.58 121.96 2jtq h GLU 63 Ca 0.25 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2jtq h GLU 63 Cb 0.14 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2jtq h GLU 63 CO -0.03 0.55 0.00 -1.33 -1.16 0.00 0.00 179.01 177.04 2jtq n MET 64 N -4.05 0.14 -0.65 2.33 2.81 -0.20 -4.88 117.12 112.62 2jtq n MET 64 Ca -0.01 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2jtq n MET 64 Cb 0.46 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 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 -0.14 0.64 3.73 3.03 0.00 -0.40 -5.04 105.19 107.01 2jtq n GLY 65 Ca 0.05 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 3.16 -1.66 1.61 1.51 -0.55 -4.93 117.35 114.48 2jtq s TYR 66 Ca 0.00 0.96 0.21 0.00 -1.01 0.00 0.00 57.07 57.24 2jtq s TYR 66 Cb 0.00 -3.75 -0.07 0.00 -0.11 0.00 0.00 41.96 38.03 2jtq s TYR 66 CO 0.00 -2.55 1.00 0.25 -1.11 0.00 0.00 175.55 173.14 2jtq n THR 67 N 3.26 0.00 -2.08 -0.71 -2.24 -0.01 -4.41 114.28 108.10 2jtq n THR 67 Ca 0.10 -0.19 0.03 0.00 -2.27 0.00 0.00 64.05 61.71 2jtq n THR 67 Cb 0.41 1.18 0.04 0.00 -2.10 0.00 0.00 70.33 69.85 2jtq n THR 67 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jtq n HIS 68 N -0.47 0.00 -1.84 4.78 -0.00 -1.24 -4.98 115.22 111.46 2jtq n HIS 68 Ca 0.07 -0.41 -0.39 0.00 0.46 0.00 0.00 57.72 57.45 2jtq n HIS 68 Cb 0.41 -0.11 0.02 0.00 -0.12 0.00 0.00 29.99 30.19 2jtq n HIS 68 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2jtq s VAL 69 N -0.53 2.18 0.04 3.57 1.01 -1.26 -3.60 120.40 121.81 2jtq s VAL 69 Ca 0.19 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2jtq s VAL 69 Cb 0.21 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2jtq s VAL 69 CO -0.07 0.01 -0.07 -0.70 0.00 0.00 0.00 175.10 174.27 2jtq s GLU 70 N -2.60 0.53 -0.22 2.72 2.56 -0.24 -4.93 118.70 116.52 2jtq s GLU 70 Ca 0.64 -0.80 -0.08 0.00 0.00 0.00 0.00 54.97 54.73 2jtq s GLU 70 Cb -0.41 -0.22 -0.04 0.00 2.00 0.00 0.00 34.13 35.46 2jtq s GLU 70 CO 0.51 0.03 0.09 1.21 -0.56 0.00 0.00 175.26 176.54 2jtq s ASN 71 N -1.73 5.61 -0.09 -1.70 3.84 -1.26 -1.75 114.94 117.86 2jtq s ASN 71 Ca -0.08 -0.00 0.15 0.00 0.21 0.00 0.00 52.86 53.14 2jtq s ASN 71 Cb -0.08 -1.99 0.52 0.00 -0.55 0.00 0.00 41.25 39.14 2jtq s ASN 71 CO -0.01 0.08 1.44 0.00 -2.79 0.00 0.00 177.10 175.82 2jtq n ALA 72 N 4.19 2.72 -0.39 1.71 0.00 -0.27 -4.95 120.51 123.52 2jtq n ALA 72 Ca -0.16 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.65 2jtq n ALA 72 Cb 0.52 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2jtq n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtq n GLY 73 N 0.45 1.86 3.76 0.00 0.00 -1.26 -4.64 105.19 105.37 2jtq n GLY 73 Ca 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.22 0.42 -0.02 0.00 -1.12 -1.71 107.32 104.67 2jtq s GLY 74 Ca 0.00 0.08 0.15 0.00 0.00 0.00 0.00 44.72 44.95 2jtq s GLY 74 CO 0.00 -0.00 1.91 -2.00 0.00 0.00 0.00 173.10 173.01 2jtq h LEU 75 N 2.00 0.43 -0.42 0.66 5.85 -0.54 0.64 115.31 123.93 2jtq h LEU 75 Ca -0.23 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2jtq h LEU 75 Cb 1.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2jtq h LEU 75 CO 0.25 0.22 0.00 0.29 -0.34 0.00 0.00 178.44 178.86 2jtq n LYS 76 N -4.49 0.10 0.00 1.25 4.76 -0.68 -3.29 118.16 115.80 2jtq n LYS 76 Ca 0.15 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2jtq n LYS 76 Cb 0.53 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 2jtq n LYS 76 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jtq n ASP 77 N -1.88 4.78 -4.75 4.39 2.03 0.09 -5.04 116.55 116.17 2jtq n ASP 77 Ca 0.02 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.92 2jtq n ASP 77 Cb 0.17 0.84 -0.02 0.00 -0.72 0.00 0.00 41.12 41.40 2jtq n ASP 77 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jtq s ILE 78 N -1.92 2.61 -0.19 5.18 1.01 -0.47 -4.94 121.20 122.49 2jtq s ILE 78 Ca 0.00 0.55 0.16 0.00 0.00 0.00 0.00 60.65 61.35 2jtq s ILE 78 Cb 0.00 -3.35 0.49 0.00 0.01 0.00 0.00 42.46 39.61 2jtq s ILE 78 CO 0.00 0.10 1.38 0.00 0.00 0.00 0.00 174.94 176.42 2jtq n ALA 79 N 1.83 3.14 -1.87 9.38 0.00 -1.26 -4.95 120.51 126.77 2jtq n ALA 79 Ca 0.05 -2.54 -0.31 0.00 0.00 0.00 0.00 53.44 50.63 2jtq n ALA 79 Cb 0.40 -0.66 -0.00 0.00 0.00 0.00 0.00 19.45 19.19 2jtq n ALA 79 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jtq s MET 80 N -2.93 3.69 0.75 0.00 -1.94 -1.26 -5.06 119.30 112.55 2jtq s MET 80 Ca 0.41 0.79 -0.16 0.00 -1.71 0.00 0.00 55.69 55.03 2jtq s MET 80 Cb 0.35 -2.10 -0.01 0.00 2.01 0.00 0.00 34.83 35.07 2jtq s MET 80 CO 0.06 -0.49 0.67 -2.30 -0.01 0.00 0.00 175.02 172.95 2jtq n PRO 81 N -2.44 0.28 -4.19 2.03 -0.02 -1.26 -4.89 135.00 124.50 2jtq n PRO 81 Ca 0.06 0.14 -0.12 0.00 -2.02 0.00 0.00 63.50 61.57 2jtq n PRO 81 Cb 0.54 -1.97 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 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 -3.08 0.96 -0.06 -0.52 1.02 -1.26 -1.22 119.74 115.59 2jtq s LYS 82 Ca 0.67 -1.44 -0.00 0.00 0.02 0.00 0.00 55.97 55.22 2jtq s LYS 82 Cb -0.33 -0.12 0.02 0.00 -0.52 0.00 0.00 37.83 36.88 2jtq s LYS 82 CO 0.57 -0.12 -0.02 0.08 -0.92 0.00 0.00 175.35 174.93 2jtq s VAL 83 N -3.74 0.48 0.47 3.17 1.01 0.11 -4.71 120.40 117.19 2jtq s VAL 83 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 2jtq s VAL 83 Cb 0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 2jtq s VAL 83 CO 0.00 0.24 0.81 -0.54 0.00 0.00 0.00 175.10 175.61 2jtq s LYS 84 N 1.40 3.64 0.00 2.72 1.02 -1.26 -1.46 119.74 125.80 2jtq s LYS 84 Ca -0.04 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.32 2jtq s LYS 84 Cb -0.13 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2jtq s LYS 84 CO -0.03 -0.19 0.38 0.41 -0.92 0.00 0.00 175.35 175.01