#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 0.85 0.14 0.00 2.12 -1.26 -0.84 118.70 119.71 2jtq s GLU 2 Ca 0.00 0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.64 2jtq s GLU 2 Cb 0.00 0.40 -0.03 0.00 0.26 0.00 0.00 34.13 34.76 2jtq s GLU 2 CO 0.00 -0.22 0.11 -1.01 -0.54 0.00 0.00 175.26 173.60 2jtq s HIS 3 N -0.75 0.76 -0.16 5.30 3.76 -0.03 -4.82 115.29 119.36 2jtq s HIS 3 Ca -0.08 -1.13 -0.00 0.00 -0.15 0.00 0.00 55.06 53.69 2jtq s HIS 3 Cb -0.03 -0.39 0.04 0.00 1.11 0.00 0.00 32.58 33.32 2jtq s HIS 3 CO 0.06 -0.57 -0.07 -1.58 -0.85 0.00 0.00 174.74 171.73 2jtq s TRP 4 N -4.03 1.78 -0.23 1.40 0.52 -1.26 -0.78 118.94 116.34 2jtq s TRP 4 Ca 0.23 -1.08 0.02 0.00 0.02 0.00 0.00 56.10 55.29 2jtq s TRP 4 Cb 0.06 -1.36 0.05 0.00 -1.15 0.00 0.00 33.47 31.07 2jtq s TRP 4 CO 0.02 -0.61 -0.12 0.42 0.02 0.00 0.00 176.95 176.67 2jtq s ILE 5 N 1.61 1.98 0.04 2.03 1.09 -0.64 -1.16 121.20 126.14 2jtq s ILE 5 Ca 0.02 -1.34 -0.30 0.00 -1.10 0.00 0.00 60.65 57.92 2jtq s ILE 5 Cb -0.15 -2.04 -0.07 0.00 -1.06 0.00 0.00 42.46 39.15 2jtq s ILE 5 CO -0.08 0.11 1.50 -0.62 -0.10 0.00 0.00 174.94 175.75 2jtq s ASP 6 N 1.22 6.75 0.00 3.58 2.15 0.16 -3.37 116.67 127.17 2jtq s ASP 6 Ca -0.05 2.27 0.20 0.00 0.43 0.00 0.00 52.55 55.41 2jtq s ASP 6 Cb -0.18 -2.56 0.19 0.00 -0.30 0.00 0.00 42.92 40.07 2jtq s ASP 6 CO -0.07 -0.78 1.16 1.33 -0.17 0.00 0.00 175.17 176.64 2jtq n VAL 7 N 4.64 0.08 -0.59 1.11 0.24 -0.07 -1.17 118.33 122.57 2jtq n VAL 7 Ca 0.14 -0.54 -0.30 0.00 -2.04 0.00 0.00 64.34 61.60 2jtq n VAL 7 Cb 0.42 1.35 0.21 0.00 -1.47 0.00 0.00 33.84 34.35 2jtq n VAL 7 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2jtq n ARG 8 N 1.15 -1.33 -1.74 7.34 0.63 -1.25 -1.45 116.66 120.01 2jtq n ARG 8 Ca 0.12 -0.34 -0.40 0.00 -0.92 0.00 0.00 57.85 56.32 2jtq n ARG 8 Cb 0.51 -2.29 0.02 0.00 0.45 0.00 0.00 32.46 31.16 2jtq n ARG 8 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2jtq n VAL 9 N -4.57 3.01 0.30 5.15 0.24 -1.26 -4.21 118.33 116.99 2jtq n VAL 9 Ca 0.08 -0.50 0.15 0.00 -2.04 0.00 0.00 64.34 62.03 2jtq n VAL 9 Cb 0.53 -1.70 0.53 0.00 -1.47 0.00 0.00 33.84 31.73 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 1.97 0.00 -0.64 7.34 0.13 -1.97 -2.78 132.00 136.04 2jtq h PRO 10 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2jtq h PRO 10 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2jtq h PRO 10 CO 0.59 0.00 0.34 0.93 -0.23 0.00 0.00 178.00 179.63 2jtq h GLU 11 N 0.00 0.88 0.00 0.86 5.08 -2.00 -2.83 114.58 116.57 2jtq h GLU 11 Ca 0.00 -0.10 -0.21 0.00 -1.00 0.00 0.00 59.36 58.05 2jtq h GLU 11 Cb 0.61 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2jtq h GLU 11 CO 0.00 0.66 -1.03 1.96 -1.00 0.00 0.00 179.01 179.59 2jtq h GLN 12 N 0.89 0.01 -0.91 2.33 4.20 -1.86 -3.10 115.11 116.66 2jtq h GLN 12 Ca 0.23 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.99 2jtq h GLN 12 Cb 0.04 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.76 2jtq h GLN 12 CO -0.04 0.99 0.59 -0.92 -0.67 0.00 0.00 178.83 178.79 2jtq h TYR 13 N 0.00 1.05 0.00 2.96 3.20 -1.55 -0.30 116.97 122.33 2jtq h TYR 13 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2jtq h TYR 13 Cb 1.79 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.71 2jtq h TYR 13 CO 0.00 0.54 0.00 1.04 -1.64 0.00 0.00 178.16 178.10 2jtq n GLN 14 N -4.50 0.01 -0.11 1.82 6.02 -1.09 -3.06 117.38 116.48 2jtq n GLN 14 Ca 0.14 0.27 -0.24 0.00 -0.01 0.00 0.00 57.00 57.17 2jtq n GLN 14 Cb 0.21 -1.53 -0.11 0.00 1.02 0.00 0.00 30.24 29.83 2jtq n GLN 14 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jtq n GLN 15 N -1.56 0.63 -3.65 -1.09 1.13 -0.20 -3.41 117.38 109.23 2jtq n GLN 15 Ca 0.03 0.28 -0.14 0.00 -1.94 0.00 0.00 57.00 55.23 2jtq n GLN 15 Cb 0.17 -1.58 -0.08 0.00 0.11 0.00 0.00 30.24 28.86 2jtq n GLN 15 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2jtq s GLU 16 N -2.49 0.76 0.10 -1.09 2.12 -0.72 -1.91 118.70 115.47 2jtq s GLU 16 Ca -0.34 0.63 -0.15 0.00 0.36 0.00 0.00 54.97 55.48 2jtq s GLU 16 Cb 0.10 0.37 0.03 0.00 0.26 0.00 0.00 34.13 34.89 2jtq s GLU 16 CO 0.58 -0.14 0.35 -3.38 -0.54 0.00 0.00 175.26 172.14 2jtq s HIS 17 N -0.11 -0.14 0.26 5.30 -3.43 -0.21 -4.08 115.29 112.89 2jtq s HIS 17 Ca -0.03 -0.16 -0.30 0.00 -0.80 0.00 0.00 55.06 53.77 2jtq s HIS 17 Cb -0.03 0.18 -0.11 0.00 -1.43 0.00 0.00 32.58 31.19 2jtq s HIS 17 CO 0.03 -0.64 1.52 0.08 -2.00 0.00 0.00 174.74 173.73 2jtq s VAL 18 N -3.58 2.37 -0.09 -5.38 1.01 -1.26 -0.95 120.40 112.52 2jtq s VAL 18 Ca 0.02 0.31 -0.36 0.00 0.00 0.00 0.00 61.98 61.95 2jtq s VAL 18 Cb 0.02 -3.20 -0.14 0.00 0.00 0.00 0.00 36.38 33.07 2jtq s VAL 18 CO -0.10 0.05 1.75 1.67 0.00 0.00 0.00 175.10 178.47 2jtq n GLN 19 N 2.36 1.79 -0.37 2.72 7.27 -0.35 -2.14 117.38 128.66 2jtq n GLN 19 Ca 0.08 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.80 2jtq n GLN 19 Cb 0.39 -2.43 0.00 0.00 2.41 0.00 0.00 30.24 30.61 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 4.04 1.71 3.78 1.69 0.00 -1.26 -5.04 105.19 110.12 2jtq n GLY 20 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.18 2.82 0.76 4.61 0.00 -0.91 -4.91 121.76 120.95 2jtq s ALA 21 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 2jtq s ALA 21 Cb 0.00 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.84 2jtq s ALA 21 CO 0.00 -0.61 1.12 0.42 0.00 0.00 0.00 175.76 176.69 2jtq s ILE 22 N -1.75 2.49 -0.08 0.00 1.01 -0.31 -4.92 121.20 117.64 2jtq s ILE 22 Ca 0.68 0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.43 2jtq s ILE 22 Cb -0.23 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.11 2jtq s ILE 22 CO 0.27 -0.18 -0.12 0.21 0.00 0.00 0.00 174.94 175.12 2jtq s ASN 23 N -4.50 1.91 -0.20 3.58 3.84 -1.26 -0.67 114.94 117.64 2jtq s ASN 23 Ca 0.60 -0.32 -0.04 0.00 0.21 0.00 0.00 52.86 53.31 2jtq s ASN 23 Cb -0.11 -0.86 0.08 0.00 -0.55 0.00 0.00 41.25 39.80 2jtq s ASN 23 CO 0.49 0.02 0.13 -0.63 -2.79 0.00 0.00 177.10 174.31 2jtq s ILE 24 N 0.82 -0.15 0.68 -5.21 1.01 -0.32 -4.93 121.20 113.10 2jtq s ILE 24 Ca -0.11 -0.25 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 2jtq s ILE 24 Cb -0.15 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.66 2jtq s ILE 24 CO 0.02 -0.34 1.21 -2.16 0.00 0.00 0.00 174.94 173.67 2jtq s PRO 25 N 2.18 2.45 0.31 2.79 0.04 -1.26 -4.09 135.00 137.42 2jtq s PRO 25 Ca 0.04 1.78 0.07 0.00 0.04 0.00 0.00 61.00 62.93 2jtq s PRO 25 Cb -0.16 -1.87 0.76 0.00 0.04 0.00 0.00 34.50 33.28 2jtq s PRO 25 CO -0.15 -1.60 1.78 1.25 0.04 0.00 0.00 177.00 178.32 2jtq h LEU 26 N 0.12 0.77 -1.71 -3.56 5.85 -1.51 0.18 115.31 115.45 2jtq h LEU 26 Ca -0.49 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2jtq h LEU 26 Cb 1.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2jtq h LEU 26 CO 0.52 0.27 0.14 0.07 -0.34 0.00 0.00 178.44 179.09 2jtq h LYS 27 N 0.74 0.33 0.10 1.25 2.10 -1.89 -2.96 116.57 116.24 2jtq h LYS 27 Ca 0.58 -0.03 -0.28 0.00 -2.00 0.00 0.00 60.65 58.92 2jtq h LYS 27 Cb 0.93 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 2jtq h LYS 27 CO -0.37 0.24 -1.46 0.93 -2.00 0.00 0.00 179.45 176.79 2jtq h GLU 28 N 0.34 0.21 -0.68 0.07 5.08 -1.05 -3.40 114.58 115.15 2jtq h GLU 28 Ca 0.09 -0.36 0.07 0.00 -1.00 0.00 0.00 59.36 58.16 2jtq h GLU 28 Cb 0.01 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2jtq h GLU 28 CO -0.02 1.17 0.45 -0.24 -1.00 0.00 0.00 179.01 179.37 2jtq h VAL 29 N -0.35 0.98 0.00 3.13 3.04 -0.95 0.18 116.25 122.28 2jtq h VAL 29 Ca -0.32 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2jtq h VAL 29 Cb 1.73 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 2jtq h VAL 29 CO 0.03 0.12 0.00 1.17 -1.01 0.00 0.00 177.57 177.87 2jtq n LYS 30 N -4.48 0.12 -0.02 4.17 4.81 -1.17 -0.73 118.16 120.87 2jtq n LYS 30 Ca 0.10 0.61 -0.04 0.00 -0.87 0.00 0.00 58.31 58.11 2jtq n LYS 30 Cb 0.27 -1.90 -0.02 0.00 0.02 0.00 0.00 35.03 33.40 2jtq n LYS 30 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jtq n GLU 31 N -2.16 0.10 0.23 1.64 1.02 -0.21 -4.81 120.64 116.44 2jtq n GLU 31 Ca -0.01 0.03 0.09 0.00 -0.02 0.00 0.00 57.16 57.25 2jtq n GLU 31 Cb 0.04 -0.86 0.54 0.00 -0.02 0.00 0.00 31.44 31.14 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 -0.08 0.00 -0.57 3.49 2.43 -0.49 -2.05 114.38 117.11 2jtq h ARG 32 Ca -0.10 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2jtq h ARG 32 Cb 1.12 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 2jtq h ARG 32 CO -0.04 0.23 0.38 0.97 -1.51 0.00 0.00 179.97 180.00 2jtq h ILE 33 N 0.00 0.94 0.00 1.20 6.09 -1.15 -0.33 117.51 124.27 2jtq h ILE 33 Ca -0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 2jtq h ILE 33 Cb 0.54 0.44 0.00 0.00 0.47 0.00 0.00 36.82 38.27 2jtq h ILE 33 CO 0.03 0.08 0.00 0.00 -3.07 0.00 0.00 178.15 175.19 2jtq h ALA 34 N 1.70 1.00 0.00 0.18 0.00 -1.59 0.21 119.26 120.76 2jtq h ALA 34 Ca 0.26 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 2jtq h ALA 34 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2jtq h ALA 34 CO -0.07 0.00 -1.74 2.41 0.00 0.00 0.00 179.25 179.85 2jtq n THR 35 N -2.42 0.74 0.08 0.00 -1.04 -0.29 -4.00 114.28 107.37 2jtq n THR 35 Ca -0.01 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.05 61.45 2jtq n THR 35 Cb 0.08 -0.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.79 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 0.46 0.38 -1.71 2.41 0.00 -0.64 -3.39 119.26 116.76 2jtq h ALA 36 Ca -0.29 -0.75 -0.49 0.00 0.00 0.00 0.00 54.91 53.38 2jtq h ALA 36 Cb 1.64 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 19.05 2jtq h ALA 36 CO 0.01 0.90 -0.95 0.28 0.00 0.00 0.00 179.25 179.49 2jtq n VAL 37 N -3.66 -0.67 -0.10 0.00 0.31 0.69 -5.00 118.33 109.90 2jtq n VAL 37 Ca -0.05 -3.30 -0.03 0.00 -0.01 0.00 0.00 64.34 60.95 2jtq n VAL 37 Cb 0.86 -1.17 0.19 0.00 -0.91 0.00 0.00 33.84 32.81 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 4.44 0.76 -6.24 5.55 0.13 -1.69 -3.41 132.00 131.54 2jtq h PRO 38 Ca 0.08 -0.18 -0.56 0.00 -0.87 0.00 0.00 66.00 64.47 2jtq h PRO 38 Cb 0.92 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 2jtq h PRO 38 CO 0.39 0.74 1.04 0.34 -0.23 0.00 0.00 178.00 180.28 2jtq s ASP 39 N -6.64 6.66 0.30 1.44 -1.08 -1.26 -4.91 116.67 111.19 2jtq s ASP 39 Ca -0.09 1.81 0.25 0.00 -0.52 0.00 0.00 52.55 54.00 2jtq s ASP 39 Cb 0.15 -2.53 1.03 0.00 -1.46 0.00 0.00 42.92 40.10 2jtq s ASP 39 CO 0.80 -0.99 1.76 0.11 0.52 0.00 0.00 175.17 177.37 2jtq h LYS 40 N 9.48 0.00 -0.00 4.34 1.79 -1.92 -3.19 116.57 127.07 2jtq h LYS 40 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2jtq h LYS 40 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2jtq h LYS 40 CO 0.98 0.00 -0.74 0.27 -1.08 0.00 0.00 179.45 178.88 2jtq n ASN 41 N -2.38 1.17 -4.68 0.86 0.23 -1.26 -1.15 115.26 108.05 2jtq n ASN 41 Ca 0.02 -1.00 -0.42 0.00 -0.53 0.00 0.00 54.58 52.65 2jtq n ASN 41 Cb 0.25 0.69 -0.03 0.00 -2.08 0.00 0.00 39.78 38.62 2jtq n ASN 41 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2jtq s ASP 42 N -2.84 6.70 -0.38 0.53 1.01 -1.21 -4.55 116.67 115.94 2jtq s ASP 42 Ca 0.12 2.29 -0.27 0.00 0.71 0.00 0.00 52.55 55.41 2jtq s ASP 42 Cb 0.17 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.49 2jtq s ASP 42 CO 0.75 -0.84 2.24 -0.89 0.21 0.00 0.00 175.17 176.63 2jtq s THR 43 N 2.92 3.08 -0.84 -1.27 2.01 -0.02 -4.65 115.64 116.86 2jtq s THR 43 Ca 0.70 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 62.51 2jtq s THR 43 Cb -0.35 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.04 2jtq s THR 43 CO 0.29 -0.12 1.46 -0.69 -0.69 0.00 0.00 174.62 174.88 2jtq s VAL 44 N 9.98 3.72 0.21 3.82 1.01 -0.93 -0.85 120.40 137.37 2jtq s VAL 44 Ca 0.95 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 2jtq s VAL 44 Cb -0.23 -4.78 -0.09 0.00 0.00 0.00 0.00 36.38 31.28 2jtq s VAL 44 CO 0.30 -1.70 1.32 -0.54 0.00 0.00 0.00 175.10 174.48 2jtq s LYS 45 N 5.74 4.38 -0.03 2.72 -0.14 0.04 -1.63 119.74 130.83 2jtq s LYS 45 Ca 0.45 2.08 0.05 0.00 -1.36 0.00 0.00 55.97 57.20 2jtq s LYS 45 Cb -0.06 -3.18 -0.01 0.00 -1.68 0.00 0.00 37.83 32.90 2jtq s LYS 45 CO 0.06 -0.26 -0.18 0.14 -0.76 0.00 0.00 175.35 174.35 2jtq s VAL 46 N 0.01 1.47 0.13 3.17 -7.23 -0.47 -1.62 120.40 115.86 2jtq s VAL 46 Ca 0.56 -0.77 -0.04 0.00 -1.81 0.00 0.00 61.98 59.92 2jtq s VAL 46 Cb -0.37 -1.23 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 2jtq s VAL 46 CO 0.40 0.42 0.12 -0.72 -0.31 0.00 0.00 175.10 175.01 2jtq s TYR 47 N -0.26 0.68 0.00 2.82 1.13 -1.22 -0.92 117.35 119.59 2jtq s TYR 47 Ca 0.03 -1.06 0.00 0.00 -1.41 0.00 0.00 57.07 54.63 2jtq s TYR 47 Cb -0.09 -0.33 0.00 0.00 -1.10 0.00 0.00 41.96 40.44 2jtq s TYR 47 CO 0.00 -0.57 0.00 0.00 -2.51 0.00 0.00 175.55 172.47 2jtq h ASN 49 N 0.00 0.48 0.00 0.00 -1.24 -1.93 0.17 115.58 113.07 2jtq h ASN 49 Ca 0.00 -0.59 0.00 0.00 0.71 0.00 0.00 56.30 56.42 2jtq h ASN 49 Cb 0.00 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 38.91 2jtq h ASN 49 CO 0.00 0.99 0.00 0.00 -1.29 0.00 0.00 177.43 177.13 2jtq n ALA 50 N -2.49 0.62 0.00 1.57 0.00 -1.26 -2.02 120.51 116.92 2jtq n ALA 50 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2jtq n ALA 50 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.30 0.83 0.19 0.00 0.00 -1.26 -4.30 105.19 100.95 2jtq n GLY 51 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.60 -0.34 1.61 0.11 -1.97 0.12 114.38 114.50 2jtq h ARG 52 Ca 0.00 -0.21 -0.14 0.00 0.10 0.00 0.00 59.98 59.73 2jtq h ARG 52 Cb 0.00 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.03 2jtq h ARG 52 CO 0.00 0.75 -0.36 0.37 0.10 0.00 0.00 179.97 180.83 2jtq h GLN 53 N 0.38 0.80 0.00 0.08 4.15 -1.96 -1.65 115.11 116.91 2jtq h GLN 53 Ca 0.09 -0.40 -0.12 0.00 0.77 0.00 0.00 58.65 58.99 2jtq h GLN 53 Cb 0.51 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 2jtq h GLN 53 CO 0.02 1.03 -0.55 0.66 -1.93 0.00 0.00 178.83 178.06 2jtq h SER 54 N 0.66 0.00 -0.10 -0.69 4.64 -1.82 -0.00 113.55 116.24 2jtq h SER 54 Ca 0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2jtq h SER 54 Cb 0.92 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2jtq h SER 54 CO 0.08 0.55 0.03 1.23 -0.87 0.00 0.00 176.83 177.85 2jtq h GLY 55 N 2.03 0.17 1.00 -0.77 0.00 -0.59 0.10 103.07 105.00 2jtq h GLY 55 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2jtq h GLY 55 CO 0.07 0.09 0.35 1.46 0.00 0.00 0.00 176.54 178.52 2jtq h GLN 56 N -0.04 0.76 -0.97 4.80 1.08 -1.24 -2.61 115.11 116.90 2jtq h GLN 56 Ca 0.03 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 2jtq h GLN 56 Cb 0.23 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 2jtq h GLN 56 CO -0.00 0.53 0.62 0.00 -0.95 0.00 0.00 178.83 179.03 2jtq h ALA 57 N 1.18 1.32 -0.14 3.87 0.00 -0.74 0.10 119.26 124.85 2jtq h ALA 57 Ca 0.20 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2jtq h ALA 57 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2jtq h ALA 57 CO -0.04 0.43 -0.04 -0.22 0.00 0.00 0.00 179.25 179.38 2jtq h LYS 58 N 1.15 -0.01 -0.29 0.00 3.64 -0.42 -0.63 116.57 120.01 2jtq h LYS 58 Ca 0.41 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.61 2jtq h LYS 58 Cb 0.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2jtq h LYS 58 CO -0.16 -0.01 -0.52 0.93 -2.27 0.00 0.00 179.45 177.43 2jtq h GLU 59 N -0.01 0.85 -0.01 1.90 4.39 -1.14 -0.72 114.58 119.84 2jtq h GLU 59 Ca 0.07 -0.52 0.03 0.00 0.34 0.00 0.00 59.36 59.28 2jtq h GLU 59 Cb 0.12 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2jtq h GLU 59 CO -0.15 1.16 -0.20 0.82 -1.16 0.00 0.00 179.01 179.47 2jtq h ILE 60 N 0.66 0.52 -0.23 3.13 2.04 -0.84 0.06 117.51 122.85 2jtq h ILE 60 Ca 0.02 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.77 2jtq h ILE 60 Cb 1.12 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2jtq h ILE 60 CO 0.11 0.00 -0.35 -0.07 0.00 0.00 0.00 178.15 177.85 2jtq h LEU 61 N -0.31 0.52 -0.41 1.44 3.38 -0.93 -0.47 115.31 118.52 2jtq h LEU 61 Ca 0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2jtq h LEU 61 Cb 0.40 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2jtq h LEU 61 CO -0.20 0.83 0.15 0.28 0.09 0.00 0.00 178.44 179.59 2jtq h SER 62 N 0.42 0.57 0.18 -0.43 0.02 -0.84 -1.83 113.55 111.64 2jtq h SER 62 Ca 0.05 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 2jtq h SER 62 Cb 0.81 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2jtq h SER 62 CO 0.07 0.60 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.71 2jtq h GLU 63 N 0.51 0.23 0.00 3.45 4.39 -0.70 -1.39 114.58 121.07 2jtq h GLU 63 Ca 0.13 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2jtq h GLU 63 Cb 0.22 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2jtq h GLU 63 CO -0.01 0.53 0.00 -1.33 -1.16 0.00 0.00 179.01 177.04 2jtq n MET 64 N -4.10 0.18 0.00 2.33 2.81 -0.21 -4.89 117.12 113.24 2jtq n MET 64 Ca -0.01 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.37 2jtq n MET 64 Cb 0.41 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 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 -0.41 1.13 3.65 3.03 0.00 -0.52 -5.06 105.19 107.00 2jtq n GLY 65 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 1.84 -0.64 1.61 1.51 -0.73 -4.88 117.35 114.06 2jtq s TYR 66 Ca 0.00 0.13 0.26 0.00 -1.01 0.00 0.00 57.07 56.44 2jtq s TYR 66 Cb 0.00 -3.98 0.74 0.00 -0.11 0.00 0.00 41.96 38.61 2jtq s TYR 66 CO 0.00 -4.06 1.74 1.79 -1.11 0.00 0.00 175.55 173.91 2jtq h THR 67 N 5.70 0.00 -3.25 -0.71 1.35 -1.47 -3.41 112.91 111.13 2jtq h THR 67 Ca -0.40 -0.57 -0.47 0.00 -0.55 0.00 0.00 66.41 64.41 2jtq h THR 67 Cb 1.19 1.55 -0.38 0.00 -1.73 0.00 0.00 68.15 68.77 2jtq h THR 67 CO 0.96 0.00 -0.77 -1.00 -0.25 0.00 0.00 175.52 174.45 2jtq s HIS 68 N -3.15 0.92 0.00 4.73 3.76 -1.20 -4.99 115.29 115.37 2jtq s HIS 68 Ca 0.09 -0.46 -0.03 0.00 -0.15 0.00 0.00 55.06 54.52 2jtq s HIS 68 Cb 0.11 -0.94 -0.01 0.00 1.11 0.00 0.00 32.58 32.85 2jtq s HIS 68 CO 0.60 -0.44 0.05 0.08 -0.85 0.00 0.00 174.74 174.18 2jtq s VAL 69 N 1.89 0.07 -0.08 -0.90 1.01 -1.26 -2.18 120.40 118.95 2jtq s VAL 69 Ca 0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 2jtq s VAL 69 Cb -0.14 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.02 2jtq s VAL 69 CO -0.06 -0.31 0.16 -0.70 0.00 0.00 0.00 175.10 174.19 2jtq s GLU 70 N -0.98 0.09 -0.48 2.72 2.12 -0.64 -4.88 118.70 116.65 2jtq s GLU 70 Ca -0.11 0.44 -0.28 0.00 0.36 0.00 0.00 54.97 55.39 2jtq s GLU 70 Cb -0.06 -0.19 0.03 0.00 0.26 0.00 0.00 34.13 34.17 2jtq s GLU 70 CO 0.00 -0.20 1.06 1.21 -0.54 0.00 0.00 175.26 176.79 2jtq s ASN 71 N 1.46 6.57 0.12 -1.70 3.84 -1.26 -1.37 114.94 122.60 2jtq s ASN 71 Ca -0.06 0.30 -0.05 0.00 0.21 0.00 0.00 52.86 53.26 2jtq s ASN 71 Cb -0.12 -2.51 -0.12 0.00 -0.55 0.00 0.00 41.25 37.95 2jtq s ASN 71 CO -0.06 -1.19 1.28 0.00 -2.79 0.00 0.00 177.10 174.33 2jtq h ALA 72 N 9.20 0.32 0.00 1.71 0.00 -1.40 -3.48 119.26 125.61 2jtq h ALA 72 Ca -0.24 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2jtq h ALA 72 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jtq h ALA 72 CO 1.09 0.82 0.00 0.41 0.00 0.00 0.00 179.25 181.57 2jtq n GLY 73 N 1.02 0.51 3.38 0.00 0.00 -1.25 -4.92 105.19 103.92 2jtq n GLY 73 Ca -0.07 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 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 1.54 0.51 -0.02 0.00 -1.26 -3.07 107.32 105.02 2jtq s GLY 74 Ca 0.00 -1.45 0.15 0.00 0.00 0.00 0.00 44.72 43.42 2jtq s GLY 74 CO 0.00 -1.44 2.14 -2.00 0.00 0.00 0.00 173.10 171.80 2jtq h LEU 75 N 3.84 0.03 -1.67 0.66 5.85 -0.04 -0.17 115.31 123.82 2jtq h LEU 75 Ca -0.50 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 2jtq h LEU 75 Cb 1.18 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2jtq h LEU 75 CO 0.40 0.03 -0.18 0.07 -0.34 0.00 0.00 178.44 178.42 2jtq h LYS 76 N 0.03 0.00 0.02 1.25 2.10 -1.78 -3.10 116.57 115.09 2jtq h LYS 76 Ca 0.01 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.31 2jtq h LYS 76 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.28 2jtq h LYS 76 CO -0.00 0.18 -2.13 -3.47 -2.00 0.00 0.00 179.45 172.03 2jtq n ASP 77 N -3.70 0.88 -4.72 7.07 2.03 -0.17 -4.91 116.55 113.03 2jtq n ASP 77 Ca -0.02 0.14 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 2jtq n ASP 77 Cb 0.30 0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.84 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 -2.54 2.78 -0.14 5.18 1.01 -0.61 -4.92 121.20 121.96 2jtq s ILE 78 Ca -0.14 0.57 0.15 0.00 0.00 0.00 0.00 60.65 61.23 2jtq s ILE 78 Cb 0.07 -3.37 0.32 0.00 0.01 0.00 0.00 42.46 39.50 2jtq s ILE 78 CO 0.78 0.05 1.16 0.00 0.00 0.00 0.00 174.94 176.94 2jtq n ALA 79 N 3.70 2.78 -1.27 9.38 0.00 -1.26 -4.88 120.51 128.96 2jtq n ALA 79 Ca 0.12 -2.72 -0.30 0.00 0.00 0.00 0.00 53.44 50.54 2jtq n ALA 79 Cb 0.40 -0.41 0.11 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.54 1.86 0.16 0.00 -1.94 -1.26 -4.97 119.30 110.61 2jtq s MET 80 Ca 0.32 0.97 -0.33 0.00 -1.71 0.00 0.00 55.69 54.94 2jtq s MET 80 Cb 0.30 -1.87 -0.16 0.00 2.01 0.00 0.00 34.83 35.11 2jtq s MET 80 CO -0.03 -1.87 1.10 -2.30 -0.01 0.00 0.00 175.02 171.91 2jtq n PRO 81 N -3.65 0.97 -4.18 2.03 -0.02 -1.26 -4.89 135.00 124.01 2jtq n PRO 81 Ca 0.08 0.35 -0.23 0.00 -2.02 0.00 0.00 63.50 61.68 2jtq n PRO 81 Cb 0.54 -1.80 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.44 2.40 0.03 -0.52 -0.14 -1.26 -1.21 119.74 118.60 2jtq s LYS 82 Ca 0.73 -1.44 0.05 0.00 -1.36 0.00 0.00 55.97 53.96 2jtq s LYS 82 Cb -0.89 -2.21 -0.02 0.00 -1.68 0.00 0.00 37.83 33.03 2jtq s LYS 82 CO 0.53 0.24 -0.16 0.08 -0.76 0.00 0.00 175.35 175.28 2jtq s VAL 83 N -2.35 1.27 0.18 3.17 1.01 -0.13 -4.68 120.40 118.86 2jtq s VAL 83 Ca 0.35 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2jtq s VAL 83 Cb -0.05 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2jtq s VAL 83 CO 0.22 0.13 0.06 -0.54 0.00 0.00 0.00 175.10 174.97 2jtq s LYS 84 N -0.98 1.11 0.00 2.72 1.02 -1.26 -1.04 119.74 121.32 2jtq s LYS 84 Ca 0.04 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.47 2jtq s LYS 84 Cb -0.08 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 2jtq s LYS 84 CO 0.01 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.59