#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 0.62 0.12 0.00 2.12 -1.26 -1.19 118.70 119.10 2jtq s GLU 2 Ca 0.00 0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.59 2jtq s GLU 2 Cb 0.00 0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 2jtq s GLU 2 CO 0.00 -0.13 0.07 -1.01 -0.54 0.00 0.00 175.26 173.65 2jtq s HIS 3 N -0.47 0.75 -0.06 5.30 3.76 0.07 -4.84 115.29 119.80 2jtq s HIS 3 Ca -0.06 -1.15 0.02 0.00 -0.15 0.00 0.00 55.06 53.73 2jtq s HIS 3 Cb -0.03 -0.42 0.01 0.00 1.11 0.00 0.00 32.58 33.25 2jtq s HIS 3 CO 0.03 -0.52 -0.13 -1.58 -0.85 0.00 0.00 174.74 171.69 2jtq s TRP 4 N -4.02 1.50 -0.23 1.40 0.52 -1.26 -0.69 118.94 116.17 2jtq s TRP 4 Ca 0.20 -0.54 -0.02 0.00 0.02 0.00 0.00 56.10 55.77 2jtq s TRP 4 Cb 0.07 -1.08 0.07 0.00 -1.15 0.00 0.00 33.47 31.38 2jtq s TRP 4 CO -0.01 -0.27 0.04 0.42 0.02 0.00 0.00 176.95 177.16 2jtq s ILE 5 N 0.58 0.75 0.03 2.03 -1.09 -0.33 -1.91 121.20 121.26 2jtq s ILE 5 Ca -0.14 -0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 57.12 2jtq s ILE 5 Cb -0.15 -1.30 -0.06 0.00 -1.58 0.00 0.00 42.46 39.37 2jtq s ILE 5 CO 0.04 -0.31 1.37 -0.62 -1.23 0.00 0.00 174.94 174.19 2jtq s ASP 6 N 1.73 6.88 -0.16 3.58 -1.08 0.29 -1.97 116.67 125.95 2jtq s ASP 6 Ca 0.01 2.13 0.16 0.00 -0.52 0.00 0.00 52.55 54.33 2jtq s ASP 6 Cb -0.17 -2.57 0.56 0.00 -1.46 0.00 0.00 42.92 39.28 2jtq s ASP 6 CO -0.12 -0.67 1.47 1.33 0.52 0.00 0.00 175.17 177.70 2jtq n VAL 7 N 4.44 2.14 -2.20 1.11 0.24 0.21 -0.91 118.33 123.36 2jtq n VAL 7 Ca 0.12 -1.61 -0.28 0.00 -2.04 0.00 0.00 64.34 60.53 2jtq n VAL 7 Cb 0.44 -0.11 0.04 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.46 2.76 0.32 7.34 3.52 -1.26 -1.86 118.95 127.32 2jtq s ARG 8 Ca 0.42 0.11 -0.29 0.00 -0.13 0.00 0.00 55.73 55.84 2jtq s ARG 8 Cb 0.32 -2.17 -0.11 0.00 -1.56 0.00 0.00 34.95 31.43 2jtq s ARG 8 CO 0.13 -0.91 1.56 0.14 -0.81 0.00 0.00 175.30 175.40 2jtq s VAL 9 N -3.16 2.05 0.17 7.11 -7.23 -1.26 -4.28 120.40 113.80 2jtq s VAL 9 Ca 0.56 0.05 0.28 0.00 -1.81 0.00 0.00 61.98 61.06 2jtq s VAL 9 Cb -0.11 -3.03 0.29 0.00 0.56 0.00 0.00 36.38 34.10 2jtq s VAL 9 CO 0.47 0.01 1.91 1.55 -0.31 0.00 0.00 175.10 178.73 2jtq h PRO 10 N 4.16 0.00 -0.33 4.82 0.13 -1.99 -2.02 132.00 136.76 2jtq h PRO 10 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2jtq h PRO 10 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2jtq h PRO 10 CO 0.74 0.14 0.03 1.49 -0.23 0.00 0.00 178.00 180.17 2jtq h GLU 11 N 0.00 0.50 0.05 0.86 4.81 -2.00 -2.21 114.58 116.59 2jtq h GLU 11 Ca -0.00 -0.09 -0.27 0.00 -0.13 0.00 0.00 59.36 58.87 2jtq h GLU 11 Cb 0.61 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2jtq h GLU 11 CO 0.02 0.50 -1.38 1.96 -0.73 0.00 0.00 179.01 179.38 2jtq h GLN 12 N 0.49 0.11 -0.73 1.92 4.20 -1.76 -3.26 115.11 116.08 2jtq h GLN 12 Ca 0.11 -0.19 0.06 0.00 0.06 0.00 0.00 58.65 58.69 2jtq h GLN 12 Cb 0.27 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 2jtq h GLN 12 CO 0.00 0.95 0.42 -0.92 -0.67 0.00 0.00 178.83 178.61 2jtq h TYR 13 N 0.03 0.78 0.00 2.96 3.20 -1.24 -0.97 116.97 121.72 2jtq h TYR 13 Ca -0.17 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 2jtq h TYR 13 Cb 1.93 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.95 2jtq h TYR 13 CO 0.03 0.37 -0.14 1.96 -1.64 0.00 0.00 178.16 178.74 2jtq h GLN 14 N 0.77 0.00 0.06 1.82 4.20 -1.49 -2.85 115.11 117.63 2jtq h GLN 14 Ca 0.33 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.77 2jtq h GLN 14 Cb 0.19 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.99 2jtq h GLN 14 CO -0.18 0.14 -1.12 1.96 -0.67 0.00 0.00 178.83 178.96 2jtq h GLN 15 N 0.00 0.53 -2.26 1.46 4.20 -1.25 -2.82 115.11 114.97 2jtq h GLN 15 Ca -0.00 -0.66 -0.05 0.00 0.06 0.00 0.00 58.65 58.00 2jtq h GLN 15 Cb 0.26 0.21 -0.22 0.00 0.30 0.00 0.00 27.48 28.02 2jtq h GLN 15 CO 0.02 1.27 -0.04 -2.00 -0.67 0.00 0.00 178.83 177.41 2jtq s GLU 16 N -3.09 0.67 0.17 1.46 2.12 -0.72 -1.46 118.70 117.84 2jtq s GLU 16 Ca -0.08 0.93 -0.11 0.00 0.36 0.00 0.00 54.97 56.07 2jtq s GLU 16 Cb 0.07 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.71 2jtq s GLU 16 CO 0.91 -0.11 0.34 -3.38 -0.54 0.00 0.00 175.26 172.47 2jtq s HIS 17 N 0.77 0.25 0.65 5.30 -3.43 -0.50 -4.28 115.29 114.05 2jtq s HIS 17 Ca -0.04 -0.61 -0.18 0.00 -0.80 0.00 0.00 55.06 53.43 2jtq s HIS 17 Cb -0.05 0.06 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 2jtq s HIS 17 CO -0.06 -0.76 1.30 0.08 -2.00 0.00 0.00 174.74 173.30 2jtq s VAL 18 N -3.94 2.00 -0.68 -5.38 1.01 -1.26 -1.01 120.40 111.14 2jtq s VAL 18 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 2jtq s VAL 18 Cb 0.02 -3.00 -0.14 0.00 0.00 0.00 0.00 36.38 33.26 2jtq s VAL 18 CO -0.01 -0.00 2.79 1.67 0.00 0.00 0.00 175.10 179.54 2jtq n GLN 19 N -1.92 2.32 0.00 2.72 7.27 0.00 -4.58 117.38 123.19 2jtq n GLN 19 Ca 0.16 -1.35 0.00 0.00 0.07 0.00 0.00 57.00 55.88 2jtq n GLN 19 Cb 0.48 -2.29 0.00 0.00 2.41 0.00 0.00 30.24 30.84 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 3.15 -0.70 4.03 1.69 0.00 -1.26 -4.96 105.19 107.14 2jtq n GLY 20 Ca 0.49 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 46.23 2jtq n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtq n ALA 21 N 0.00 -2.03 -2.54 4.61 0.00 -1.26 -4.97 120.51 114.32 2jtq n ALA 21 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.52 2jtq n ALA 21 Cb 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 2jtq n ALA 21 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jtq s ILE 22 N -1.20 1.16 -0.23 0.00 -1.09 -0.80 -5.01 121.20 114.03 2jtq s ILE 22 Ca 0.00 -1.60 -0.07 0.00 -2.23 0.00 0.00 60.65 56.75 2jtq s ILE 22 Cb 0.00 -1.37 -0.03 0.00 -1.58 0.00 0.00 42.46 39.48 2jtq s ILE 22 CO 0.00 -0.42 0.04 0.21 -1.23 0.00 0.00 174.94 173.55 2jtq s ASN 23 N -2.29 5.06 -0.33 3.58 3.84 -1.26 -0.55 114.94 122.98 2jtq s ASN 23 Ca 0.05 -0.19 -0.01 0.00 0.21 0.00 0.00 52.86 52.93 2jtq s ASN 23 Cb -0.05 -1.89 0.13 0.00 -0.55 0.00 0.00 41.25 38.89 2jtq s ASN 23 CO 0.02 0.01 0.20 -0.63 -2.79 0.00 0.00 177.10 173.91 2jtq s ILE 24 N 1.31 0.04 0.71 -5.21 1.01 -0.09 -4.97 121.20 114.01 2jtq s ILE 24 Ca 0.05 -1.39 -0.16 0.00 0.00 0.00 0.00 60.65 59.15 2jtq s ILE 24 Cb -0.15 -1.05 0.01 0.00 0.01 0.00 0.00 42.46 41.29 2jtq s ILE 24 CO 0.03 -0.89 1.10 -0.81 0.00 0.00 0.00 174.94 174.37 2jtq n PRO 25 N 4.40 0.65 -0.33 2.79 -0.04 -1.26 -4.05 135.00 137.17 2jtq n PRO 25 Ca 0.07 0.28 0.15 0.00 -0.04 0.00 0.00 63.50 63.96 2jtq n PRO 25 Cb 0.39 -2.34 0.38 0.00 -0.04 0.00 0.00 33.50 31.88 2jtq n PRO 25 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2jtq h LEU 26 N -0.10 0.68 -1.26 1.53 5.85 -1.64 0.30 115.31 120.68 2jtq h LEU 26 Ca -0.48 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 2jtq h LEU 26 Cb 1.33 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 2jtq h LEU 26 CO 0.49 0.24 -0.00 0.07 -0.34 0.00 0.00 178.44 178.90 2jtq h LYS 27 N 0.66 0.50 0.14 1.25 2.10 -1.88 -3.00 116.57 116.34 2jtq h LYS 27 Ca 0.55 -0.10 -0.24 0.00 -2.00 0.00 0.00 60.65 58.86 2jtq h LYS 27 Cb 1.00 -0.07 0.03 0.00 -0.90 0.00 0.00 32.23 32.28 2jtq h LYS 27 CO -0.32 0.53 -1.04 0.93 -2.00 0.00 0.00 179.45 177.55 2jtq h GLU 28 N 0.48 0.45 -0.78 0.07 5.08 -0.81 -3.38 114.58 115.70 2jtq h GLU 28 Ca 0.10 -0.68 0.09 0.00 -1.00 0.00 0.00 59.36 57.88 2jtq h GLU 28 Cb 0.32 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 2jtq h GLU 28 CO 0.01 1.30 0.51 -0.24 -1.00 0.00 0.00 179.01 179.59 2jtq h VAL 29 N -0.06 0.95 0.00 3.13 3.04 -0.91 0.27 116.25 122.67 2jtq h VAL 29 Ca -0.17 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2jtq h VAL 29 Cb 1.78 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 2jtq h VAL 29 CO 0.20 0.13 0.00 1.17 -1.01 0.00 0.00 177.57 178.06 2jtq n LYS 30 N -4.50 0.20 0.00 4.17 0.00 -1.22 -1.14 118.16 115.67 2jtq n LYS 30 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 58.31 58.48 2jtq n LYS 30 Cb 0.32 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.85 2jtq n LYS 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2jtq n GLU 31 N -1.05 0.00 0.25 1.64 1.02 -0.01 -4.89 120.64 117.59 2jtq n GLU 31 Ca 0.05 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 2jtq n GLU 31 Cb 0.03 -0.30 0.65 0.00 -0.02 0.00 0.00 31.44 31.81 2jtq n GLU 31 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2jtq h ARG 32 N 0.00 0.00 -0.62 3.49 2.43 -0.49 -1.83 114.38 117.36 2jtq h ARG 32 Ca 0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2jtq h ARG 32 Cb 0.44 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 2jtq h ARG 32 CO 0.00 0.14 0.41 0.97 -1.51 0.00 0.00 179.97 179.99 2jtq h ILE 33 N 0.00 0.97 0.00 1.20 6.09 -1.33 -0.46 117.51 123.99 2jtq h ILE 33 Ca -0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 2jtq h ILE 33 Cb 0.48 0.36 0.00 0.00 0.47 0.00 0.00 36.82 38.12 2jtq h ILE 33 CO 0.02 0.10 0.00 0.00 -3.07 0.00 0.00 178.15 175.20 2jtq h ALA 34 N 1.67 1.00 0.00 0.18 0.00 -1.56 0.23 119.26 120.78 2jtq h ALA 34 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 2jtq h ALA 34 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2jtq h ALA 34 CO -0.08 0.00 -2.17 2.41 0.00 0.00 0.00 179.25 179.41 2jtq n THR 35 N -2.75 1.17 0.09 0.00 -1.04 -0.34 -3.89 114.28 107.51 2jtq n THR 35 Ca -0.02 -0.63 -0.11 0.00 -2.04 0.00 0.00 64.05 61.25 2jtq n THR 35 Cb 0.11 -0.78 -0.07 0.00 -1.82 0.00 0.00 70.33 67.77 2jtq n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jtq h ALA 36 N 0.56 0.34 -1.89 2.41 0.00 -0.64 -3.39 119.26 116.65 2jtq h ALA 36 Ca -0.46 -0.80 -0.53 0.00 0.00 0.00 0.00 54.91 53.12 2jtq h ALA 36 Cb 1.93 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 19.31 2jtq h ALA 36 CO -0.01 0.97 -1.03 0.28 0.00 0.00 0.00 179.25 179.47 2jtq n VAL 37 N -3.58 -0.73 0.21 0.00 0.31 0.76 -4.98 118.33 110.32 2jtq n VAL 37 Ca -0.05 -3.66 0.06 0.00 -0.01 0.00 0.00 64.34 60.68 2jtq n VAL 37 Cb 0.90 -1.59 0.46 0.00 -0.91 0.00 0.00 33.84 32.71 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 4.30 0.00 -5.93 5.55 0.13 -1.69 -3.39 132.00 130.97 2jtq h PRO 38 Ca 0.09 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.62 2jtq h PRO 38 Cb 0.90 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.92 2jtq h PRO 38 CO 0.43 0.28 0.72 0.34 -0.23 0.00 0.00 178.00 179.54 2jtq s ASP 39 N -6.70 6.26 0.28 1.44 2.15 -1.26 -4.91 116.67 113.92 2jtq s ASP 39 Ca -0.03 -0.53 0.17 0.00 0.43 0.00 0.00 52.55 52.60 2jtq s ASP 39 Cb 0.14 -2.47 0.95 0.00 -0.30 0.00 0.00 42.92 41.23 2jtq s ASP 39 CO 0.68 -1.47 1.52 0.29 -0.17 0.00 0.00 175.17 176.02 2jtq n LYS 40 N 8.11 0.11 0.20 4.34 5.02 -1.26 -2.29 118.16 132.38 2jtq n LYS 40 Ca 0.01 0.61 0.08 0.00 -2.02 0.00 0.00 58.31 56.98 2jtq n LYS 40 Cb 0.47 -1.92 0.33 0.00 -0.02 0.00 0.00 35.03 33.89 2jtq n LYS 40 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2jtq h ASN 41 N 0.00 0.00 -3.19 4.39 -1.24 -1.91 -2.04 115.58 111.59 2jtq h ASN 41 Ca 0.00 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.48 2jtq h ASN 41 Cb 0.09 0.00 0.04 0.00 0.73 0.00 0.00 38.32 39.18 2jtq h ASN 41 CO 0.00 0.30 0.73 -1.81 -1.29 0.00 0.00 177.43 175.37 2jtq s ASP 42 N -6.29 6.77 -0.50 1.15 1.01 -0.97 -4.41 116.67 113.42 2jtq s ASP 42 Ca 0.02 2.48 -0.27 0.00 0.71 0.00 0.00 52.55 55.48 2jtq s ASP 42 Cb 0.09 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2jtq s ASP 42 CO 0.67 -0.65 1.97 -0.89 0.21 0.00 0.00 175.17 176.48 2jtq s THR 43 N 0.52 3.30 -0.23 -1.27 2.01 -0.34 -4.57 115.64 115.06 2jtq s THR 43 Ca 0.62 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 2jtq s THR 43 Cb -0.39 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.49 2jtq s THR 43 CO 0.36 -0.57 1.03 -0.69 -0.69 0.00 0.00 174.62 174.06 2jtq s VAL 44 N 9.16 4.68 -0.49 3.82 1.01 -1.00 -0.75 120.40 136.83 2jtq s VAL 44 Ca 0.78 1.99 -0.14 0.00 0.00 0.00 0.00 61.98 64.61 2jtq s VAL 44 Cb -0.17 -4.31 0.10 0.00 0.00 0.00 0.00 36.38 32.01 2jtq s VAL 44 CO 0.25 -0.19 0.41 -0.54 0.00 0.00 0.00 175.10 175.03 2jtq s LYS 45 N 3.21 2.85 0.15 2.72 1.02 0.14 -0.92 119.74 128.91 2jtq s LYS 45 Ca 0.44 -1.57 -0.21 0.00 0.02 0.00 0.00 55.97 54.65 2jtq s LYS 45 Cb -0.15 -4.11 -0.08 0.00 -0.52 0.00 0.00 37.83 32.97 2jtq s LYS 45 CO 0.07 -1.16 0.67 0.14 -0.92 0.00 0.00 175.35 174.15 2jtq s VAL 46 N 1.55 4.60 0.20 3.17 -7.23 -0.62 -1.19 120.40 120.88 2jtq s VAL 46 Ca 0.04 1.33 -0.07 0.00 -1.81 0.00 0.00 61.98 61.47 2jtq s VAL 46 Cb -0.27 -3.93 -0.02 0.00 0.56 0.00 0.00 36.38 32.72 2jtq s VAL 46 CO 0.03 0.40 0.27 -0.72 -0.31 0.00 0.00 175.10 174.78 2jtq s TYR 47 N -1.29 0.70 0.00 2.82 1.13 -0.83 -1.31 117.35 118.57 2jtq s TYR 47 Ca 0.36 -1.01 0.00 0.00 -1.41 0.00 0.00 57.07 55.01 2jtq s TYR 47 Cb -0.19 -0.19 0.00 0.00 -1.10 0.00 0.00 41.96 40.48 2jtq s TYR 47 CO 0.22 -0.77 0.00 0.00 -2.51 0.00 0.00 175.55 172.49 2jtq h ASN 49 N 0.00 0.24 -5.28 0.00 -0.73 -1.93 0.15 115.58 108.03 2jtq h ASN 49 Ca 0.00 -0.43 -0.13 0.00 1.87 0.00 0.00 56.30 57.60 2jtq h ASN 49 Cb 0.00 -0.07 -0.15 0.00 0.27 0.00 0.00 38.32 38.38 2jtq h ASN 49 CO 0.00 0.62 -0.63 0.00 -0.37 0.00 0.00 177.43 177.04 2jtq s ALA 50 N -4.49 0.52 0.19 1.57 0.00 -1.26 -2.85 121.76 115.44 2jtq s ALA 50 Ca -0.15 -1.21 0.35 0.00 0.00 0.00 0.00 51.96 50.95 2jtq s ALA 50 Cb 0.04 0.46 1.70 0.00 0.00 0.00 0.00 23.12 25.32 2jtq s ALA 50 CO 0.72 -0.42 2.05 0.78 0.00 0.00 0.00 175.76 178.89 2jtq h GLY 51 N 3.03 0.00 0.86 0.00 0.00 -1.91 -3.21 103.07 101.83 2jtq h GLY 51 Ca -0.34 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2jtq h GLY 51 CO 0.63 0.00 0.05 0.07 0.00 0.00 0.00 176.54 177.29 2jtq h ARG 52 N 0.00 0.25 0.09 4.80 0.11 -1.98 0.16 114.38 117.81 2jtq h ARG 52 Ca 0.00 -0.05 -0.26 0.00 0.10 0.00 0.00 59.98 59.77 2jtq h ARG 52 Cb 0.21 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 31.26 2jtq h ARG 52 CO 0.00 0.36 -1.14 0.37 0.10 0.00 0.00 179.97 179.66 2jtq h GLN 53 N 0.09 0.39 0.00 0.08 4.15 -1.96 -1.40 115.11 116.46 2jtq h GLN 53 Ca 0.05 -0.54 -0.09 0.00 0.77 0.00 0.00 58.65 58.85 2jtq h GLN 53 Cb 0.21 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2jtq h GLN 53 CO -0.00 1.21 -0.42 0.66 -1.93 0.00 0.00 178.83 178.34 2jtq h SER 54 N 0.17 0.00 -0.12 -0.69 4.64 -1.67 -0.53 113.55 115.35 2jtq h SER 54 Ca -0.13 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 2jtq h SER 54 Cb 1.82 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.91 2jtq h SER 54 CO 0.20 0.42 -0.05 1.23 -0.87 0.00 0.00 176.83 177.77 2jtq h GLY 55 N 1.73 0.26 0.74 -0.77 0.00 -0.46 0.79 103.07 105.36 2jtq h GLY 55 Ca -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.15 2jtq h GLY 55 CO 0.06 0.21 0.45 1.46 0.00 0.00 0.00 176.54 178.71 2jtq h GLN 56 N -0.09 0.81 -0.96 4.80 1.08 -1.19 -1.54 115.11 118.01 2jtq h GLN 56 Ca 0.03 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2jtq h GLN 56 Cb 0.49 -0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 27.69 2jtq h GLN 56 CO 0.02 0.53 0.63 0.00 -0.95 0.00 0.00 178.83 179.06 2jtq h ALA 57 N 1.36 1.34 -0.42 3.87 0.00 -0.82 0.32 119.26 124.92 2jtq h ALA 57 Ca 0.32 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2jtq h ALA 57 Cb 0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2jtq h ALA 57 CO -0.16 0.59 0.27 -0.22 0.00 0.00 0.00 179.25 179.73 2jtq h LYS 58 N 1.26 0.54 -0.20 0.00 3.64 0.12 -0.07 116.57 121.87 2jtq h LYS 58 Ca 0.36 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 2jtq h LYS 58 Cb -0.09 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2jtq h LYS 58 CO -0.09 0.36 0.01 0.93 -2.27 0.00 0.00 179.45 178.38 2jtq h GLU 59 N 0.56 0.35 -0.14 1.90 5.08 -0.79 -1.56 114.58 119.98 2jtq h GLU 59 Ca 0.16 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2jtq h GLU 59 Cb -0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2jtq h GLU 59 CO -0.04 0.54 0.06 0.82 -1.00 0.00 0.00 179.01 179.39 2jtq h ILE 60 N 0.11 0.99 -0.11 3.13 2.04 -0.77 -0.31 117.51 122.60 2jtq h ILE 60 Ca 0.06 -0.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.77 2jtq h ILE 60 Cb 0.38 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2jtq h ILE 60 CO 0.01 0.02 -0.39 -0.07 0.00 0.00 0.00 178.15 177.72 2jtq h LEU 61 N 0.14 0.24 -0.72 1.44 3.38 -0.96 -0.38 115.31 118.46 2jtq h LEU 61 Ca 0.05 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2jtq h LEU 61 Cb 0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2jtq h LEU 61 CO -0.04 0.62 0.22 0.28 0.09 0.00 0.00 178.44 179.60 2jtq h SER 62 N 0.20 1.05 0.26 -0.43 0.02 -0.81 -2.27 113.55 111.56 2jtq h SER 62 Ca 0.02 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.67 2jtq h SER 62 Cb 0.79 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2jtq h SER 62 CO 0.06 0.98 -0.35 -0.33 -1.14 0.00 0.00 176.83 176.05 2jtq h GLU 63 N 1.06 0.14 0.00 3.45 4.39 -0.48 -0.85 114.58 122.29 2jtq h GLU 63 Ca 0.23 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2jtq h GLU 63 Cb 0.31 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2jtq h GLU 63 CO -0.01 0.48 0.00 -1.33 -1.16 0.00 0.00 179.01 176.99 2jtq n MET 64 N -4.09 0.55 -0.78 2.33 2.81 -0.21 -4.88 117.12 112.85 2jtq n MET 64 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2jtq n MET 64 Cb 0.41 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 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 0.09 0.57 3.65 3.03 0.00 -0.32 -5.00 105.19 107.21 2jtq n GLY 65 Ca 0.13 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 1.76 -0.81 1.61 1.51 -0.89 -4.87 117.35 113.65 2jtq s TYR 66 Ca 0.00 0.15 0.27 0.00 -1.01 0.00 0.00 57.07 56.48 2jtq s TYR 66 Cb 0.00 -4.01 0.95 0.00 -0.11 0.00 0.00 41.96 38.79 2jtq s TYR 66 CO 0.00 -4.08 1.81 0.25 -1.11 0.00 0.00 175.55 172.43 2jtq n THR 67 N 5.94 0.43 -3.80 -0.71 -2.24 -0.76 -4.43 114.28 108.71 2jtq n THR 67 Ca 0.19 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.58 2jtq n THR 67 Cb 0.43 -0.60 -0.17 0.00 -2.10 0.00 0.00 70.33 67.89 2jtq n THR 67 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jtq s HIS 68 N -3.08 0.99 0.00 4.78 3.76 -1.25 -5.05 115.29 115.43 2jtq s HIS 68 Ca 0.11 -0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 2jtq s HIS 68 Cb 0.14 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.85 2jtq s HIS 68 CO 0.55 -0.44 0.02 0.08 -0.85 0.00 0.00 174.74 174.11 2jtq s VAL 69 N 1.87 0.05 0.03 -0.90 1.01 -1.26 -2.39 120.40 118.81 2jtq s VAL 69 Ca 0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2jtq s VAL 69 Cb -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 2jtq s VAL 69 CO -0.07 -0.24 0.02 -0.70 0.00 0.00 0.00 175.10 174.11 2jtq s GLU 70 N -0.73 0.46 -0.34 2.72 2.56 -0.10 -4.91 118.70 118.37 2jtq s GLU 70 Ca -0.08 -0.75 -0.10 0.00 0.00 0.00 0.00 54.97 54.04 2jtq s GLU 70 Cb -0.05 0.17 0.01 0.00 2.00 0.00 0.00 34.13 36.27 2jtq s GLU 70 CO -0.00 -0.09 0.17 1.21 -0.56 0.00 0.00 175.26 175.98 2jtq s ASN 71 N -1.92 5.58 0.15 -1.70 3.84 -1.26 -1.59 114.94 118.05 2jtq s ASN 71 Ca -0.08 -0.81 -0.01 0.00 0.21 0.00 0.00 52.86 52.17 2jtq s ASN 71 Cb -0.04 -1.99 -0.03 0.00 -0.55 0.00 0.00 41.25 38.64 2jtq s ASN 71 CO -0.03 -0.30 1.36 0.00 -2.79 0.00 0.00 177.10 175.34 2jtq h ALA 72 N 8.37 0.47 0.00 1.71 0.00 -1.52 -3.48 119.26 124.82 2jtq h ALA 72 Ca -0.28 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.93 2jtq h ALA 72 Cb 1.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jtq h ALA 72 CO 0.64 0.84 0.00 0.41 0.00 0.00 0.00 179.25 181.14 2jtq n GLY 73 N 0.84 0.32 3.33 0.00 0.00 -1.25 -4.87 105.19 103.55 2jtq n GLY 73 Ca -0.05 -1.58 -0.22 0.00 0.00 0.00 0.00 46.02 44.17 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 1.38 0.60 -0.02 0.00 -1.26 -3.44 107.32 104.57 2jtq s GLY 74 Ca 0.00 -1.46 0.37 0.00 0.00 0.00 0.00 44.72 43.63 2jtq s GLY 74 CO 0.00 -1.51 2.20 -2.00 0.00 0.00 0.00 173.10 171.79 2jtq h LEU 75 N 3.34 0.00 -1.81 0.66 5.85 -0.54 -0.15 115.31 122.67 2jtq h LEU 75 Ca -0.43 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 2jtq h LEU 75 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2jtq h LEU 75 CO 0.50 0.03 -0.09 0.11 -0.34 0.00 0.00 178.44 178.64 2jtq h LYS 76 N 0.00 0.00 0.00 1.25 1.57 -1.83 -3.24 116.57 114.33 2jtq h LYS 76 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2jtq h LYS 76 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2jtq h LYS 76 CO 0.00 0.09 -1.60 -3.47 -0.57 0.00 0.00 179.45 173.90 2jtq n ASP 77 N -3.38 2.59 -4.77 0.86 2.03 -0.17 -4.99 116.55 108.72 2jtq n ASP 77 Ca -0.01 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.89 2jtq n ASP 77 Cb 0.27 1.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.65 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 -2.41 2.90 -0.13 5.18 1.01 -0.60 -4.95 121.20 122.20 2jtq s ILE 78 Ca -0.04 0.90 0.16 0.00 0.00 0.00 0.00 60.65 61.66 2jtq s ILE 78 Cb 0.04 -3.57 0.40 0.00 0.01 0.00 0.00 42.46 39.34 2jtq s ILE 78 CO 0.41 0.21 1.19 0.00 0.00 0.00 0.00 174.94 176.76 2jtq n ALA 79 N 0.99 3.12 -0.93 9.38 0.00 -1.26 -4.89 120.51 126.92 2jtq n ALA 79 Ca 0.00 -2.90 -0.31 0.00 0.00 0.00 0.00 53.44 50.24 2jtq n ALA 79 Cb 0.42 -0.48 0.15 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.11 1.24 0.33 0.00 -1.94 -1.26 -4.98 119.30 110.57 2jtq s MET 80 Ca 0.35 1.25 -0.26 0.00 -1.71 0.00 0.00 55.69 55.32 2jtq s MET 80 Cb 0.36 -1.77 -0.14 0.00 2.01 0.00 0.00 34.83 35.29 2jtq s MET 80 CO -0.09 -2.38 0.80 -2.30 -0.01 0.00 0.00 175.02 171.04 2jtq n PRO 81 N -4.03 0.93 -4.36 2.03 -0.02 -1.26 -4.89 135.00 123.40 2jtq n PRO 81 Ca 0.09 0.33 -0.18 0.00 -2.02 0.00 0.00 63.50 61.72 2jtq n PRO 81 Cb 0.53 -1.64 -0.10 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.53 1.40 0.05 -0.52 1.02 -1.26 -0.82 119.74 118.08 2jtq s LYS 82 Ca 0.61 -1.72 -0.08 0.00 0.02 0.00 0.00 55.97 54.80 2jtq s LYS 82 Cb -0.69 -0.70 -0.00 0.00 -0.52 0.00 0.00 37.83 35.92 2jtq s LYS 82 CO 0.58 -0.10 0.17 0.54 -0.92 0.00 0.00 175.35 175.63 2jtq s VAL 83 N -3.37 0.12 0.05 3.17 0.11 -0.18 -4.48 120.40 115.83 2jtq s VAL 83 Ca 0.30 -1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.30 2jtq s VAL 83 Cb 0.06 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2jtq s VAL 83 CO 0.10 -0.57 0.00 -0.54 -3.33 0.00 0.00 175.10 170.76 2jtq s LYS 84 N -2.93 0.62 0.00 1.54 1.02 -1.26 -1.41 119.74 117.32 2jtq s LYS 84 Ca -0.02 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 54.82 2jtq s LYS 84 Cb 0.01 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 2jtq s LYS 84 CO -0.06 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.65