#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 0.84 0.12 0.00 2.12 -1.26 -0.86 118.70 119.66 2jtq s GLU 2 Ca 0.00 0.17 -0.06 0.00 0.36 0.00 0.00 54.97 55.45 2jtq s GLU 2 Cb 0.00 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 2jtq s GLU 2 CO 0.00 -0.23 0.16 -1.01 -0.54 0.00 0.00 175.26 173.64 2jtq s HIS 3 N -0.99 0.47 -0.19 5.30 3.76 -0.37 -4.87 115.29 118.40 2jtq s HIS 3 Ca -0.10 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 53.93 2jtq s HIS 3 Cb -0.03 -0.21 0.04 0.00 1.11 0.00 0.00 32.58 33.49 2jtq s HIS 3 CO 0.06 -0.58 -0.12 -1.58 -0.85 0.00 0.00 174.74 171.67 2jtq s TRP 4 N -3.96 2.40 -0.32 1.40 0.52 -1.26 -0.74 118.94 116.99 2jtq s TRP 4 Ca 0.15 -1.52 0.02 0.00 0.02 0.00 0.00 56.10 54.77 2jtq s TRP 4 Cb 0.05 -1.66 0.08 0.00 -1.15 0.00 0.00 33.47 30.80 2jtq s TRP 4 CO -0.04 -0.73 0.02 0.42 0.02 0.00 0.00 176.95 176.64 2jtq s ILE 5 N 1.40 2.50 -0.25 2.03 -1.09 -0.37 -0.87 121.20 124.56 2jtq s ILE 5 Ca 0.01 -1.95 -0.29 0.00 -2.23 0.00 0.00 60.65 56.19 2jtq s ILE 5 Cb -0.15 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 2jtq s ILE 5 CO -0.09 -0.37 1.82 -0.62 -1.23 0.00 0.00 174.94 174.45 2jtq s ASP 6 N 1.15 6.01 0.00 3.58 2.15 0.17 -3.11 116.67 126.62 2jtq s ASP 6 Ca 0.02 1.58 0.24 0.00 0.43 0.00 0.00 52.55 54.83 2jtq s ASP 6 Cb -0.20 -2.53 0.64 0.00 -0.30 0.00 0.00 42.92 40.54 2jtq s ASP 6 CO -0.05 -1.56 1.51 1.33 -0.17 0.00 0.00 175.17 176.22 2jtq n VAL 7 N 7.04 0.13 -0.83 1.11 0.24 -0.17 -1.53 118.33 124.33 2jtq n VAL 7 Ca 0.22 -0.42 -0.30 0.00 -2.04 0.00 0.00 64.34 61.80 2jtq n VAL 7 Cb 0.46 0.83 0.19 0.00 -1.47 0.00 0.00 33.84 33.84 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 -1.87 0.44 0.44 7.34 3.52 -1.24 -1.49 118.95 126.09 2jtq s ARG 8 Ca 0.34 1.05 -0.25 0.00 -0.13 0.00 0.00 55.73 56.74 2jtq s ARG 8 Cb 0.20 -1.70 -0.09 0.00 -1.56 0.00 0.00 34.95 31.81 2jtq s ARG 8 CO 0.31 -2.87 1.32 1.33 -0.81 0.00 0.00 175.30 174.58 2jtq n VAL 9 N -4.34 2.73 0.25 7.11 0.24 -1.26 -4.13 118.33 118.92 2jtq n VAL 9 Ca 0.07 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 62.01 2jtq n VAL 9 Cb 0.54 -1.65 0.58 0.00 -1.47 0.00 0.00 33.84 31.84 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 2.08 0.00 0.00 7.34 0.13 -1.96 -2.82 132.00 136.77 2jtq h PRO 10 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2jtq h PRO 10 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jtq h PRO 10 CO 0.60 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 178.86 2jtq n GLU 11 N -3.24 0.04 -0.05 0.86 -0.58 -1.26 -2.13 120.64 114.27 2jtq n GLU 11 Ca 0.00 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 2jtq n GLU 11 Cb 0.36 -1.58 -0.15 0.00 -0.57 0.00 0.00 31.44 29.50 2jtq n GLU 11 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2jtq n GLN 12 N -1.65 0.67 -0.29 3.49 6.02 -1.06 -4.38 117.38 120.18 2jtq n GLN 12 Ca 0.03 -0.06 0.05 0.00 -0.01 0.00 0.00 57.00 57.00 2jtq n GLN 12 Cb 0.16 -1.56 0.19 0.00 1.02 0.00 0.00 30.24 30.05 2jtq n GLN 12 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2jtq h TYR 13 N 0.00 0.76 0.00 1.08 3.20 -1.53 0.01 116.97 120.49 2jtq h TYR 13 Ca -0.27 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.63 2jtq h TYR 13 Cb 1.64 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.70 2jtq h TYR 13 CO 0.00 0.23 0.00 -0.56 -1.64 0.00 0.00 178.16 176.19 2jtq h GLN 14 N 0.66 0.00 0.03 1.82 3.07 -1.76 -3.08 115.11 115.85 2jtq h GLN 14 Ca 0.42 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.80 2jtq h GLN 14 Cb 0.52 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.03 2jtq h GLN 14 CO -0.32 0.00 -2.26 1.04 0.09 0.00 0.00 178.83 177.38 2jtq n GLN 15 N -2.78 0.68 -3.63 0.06 6.02 -0.11 -2.62 117.38 115.00 2jtq n GLN 15 Ca -0.01 0.15 -0.12 0.00 -0.01 0.00 0.00 57.00 57.02 2jtq n GLN 15 Cb 0.16 -1.59 -0.07 0.00 1.02 0.00 0.00 30.24 29.76 2jtq n GLN 15 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2jtq s GLU 16 N -2.53 0.77 0.11 -1.09 2.12 -0.62 -3.15 118.70 114.31 2jtq s GLU 16 Ca -0.22 1.00 -0.14 0.00 0.36 0.00 0.00 54.97 55.97 2jtq s GLU 16 Cb 0.08 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.82 2jtq s GLU 16 CO 0.72 -0.11 0.34 -3.38 -0.54 0.00 0.00 175.26 172.30 2jtq s HIS 17 N 0.67 -0.11 0.36 5.30 -3.43 -0.48 -4.17 115.29 113.44 2jtq s HIS 17 Ca -0.02 -0.22 -0.27 0.00 -0.80 0.00 0.00 55.06 53.75 2jtq s HIS 17 Cb -0.05 0.17 -0.09 0.00 -1.43 0.00 0.00 32.58 31.18 2jtq s HIS 17 CO -0.05 -0.65 1.21 0.08 -2.00 0.00 0.00 174.74 173.33 2jtq s VAL 18 N -3.72 3.04 -0.14 -5.38 1.01 -1.26 -0.78 120.40 113.17 2jtq s VAL 18 Ca 0.03 0.96 -0.35 0.00 0.00 0.00 0.00 61.98 62.61 2jtq s VAL 18 Cb 0.02 -3.58 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 2jtq s VAL 18 CO -0.11 0.16 1.86 0.00 0.00 0.00 0.00 175.10 177.02 2jtq n GLN 19 N 0.50 1.94 -0.58 2.72 6.02 -0.40 -1.61 117.38 125.98 2jtq n GLN 19 Ca 0.02 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 2jtq n GLN 19 Cb 0.44 -2.53 0.00 0.00 1.02 0.00 0.00 30.24 29.17 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 4.42 1.09 3.77 1.08 0.00 -1.26 -5.04 105.19 109.25 2jtq n GLY 20 Ca 0.24 0.00 -0.37 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 -3.29 2.99 0.50 4.61 0.00 -0.63 -4.83 121.76 121.11 2jtq s ALA 21 Ca 0.00 0.96 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 2jtq s ALA 21 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2jtq s ALA 21 CO 0.00 -0.68 0.83 0.42 0.00 0.00 0.00 175.76 176.33 2jtq s ILE 22 N -1.52 4.87 -0.08 0.00 -1.09 -0.05 -4.95 121.20 118.39 2jtq s ILE 22 Ca 0.63 0.33 0.03 0.00 -2.23 0.00 0.00 60.65 59.41 2jtq s ILE 22 Cb -0.29 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 36.73 2jtq s ILE 22 CO 0.36 -0.89 -0.17 0.21 -1.23 0.00 0.00 174.94 173.22 2jtq s ASN 23 N -4.10 2.33 -0.16 3.58 3.84 -1.26 -0.65 114.94 118.52 2jtq s ASN 23 Ca 0.49 -0.41 -0.04 0.00 0.21 0.00 0.00 52.86 53.11 2jtq s ASN 23 Cb -0.10 -1.06 0.07 0.00 -0.55 0.00 0.00 41.25 39.60 2jtq s ASN 23 CO 0.46 0.07 0.18 -0.63 -2.79 0.00 0.00 177.10 174.39 2jtq s ILE 24 N 0.62 -0.26 0.66 -5.21 1.01 -0.58 -4.94 121.20 112.50 2jtq s ILE 24 Ca -0.14 0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.36 2jtq s ILE 24 Cb -0.16 -0.54 -0.00 0.00 0.01 0.00 0.00 42.46 41.77 2jtq s ILE 24 CO 0.04 -0.11 1.21 -2.16 0.00 0.00 0.00 174.94 173.92 2jtq s PRO 25 N 2.28 2.59 0.38 2.79 0.04 -1.26 -4.05 135.00 137.78 2jtq s PRO 25 Ca 0.05 1.79 0.13 0.00 0.04 0.00 0.00 61.00 63.01 2jtq s PRO 25 Cb -0.15 -1.89 0.95 0.00 0.04 0.00 0.00 34.50 33.46 2jtq s PRO 25 CO -0.10 -1.49 1.85 1.25 0.04 0.00 0.00 177.00 178.55 2jtq h LEU 26 N 0.32 0.54 -1.77 -3.56 5.85 -1.52 0.16 115.31 115.32 2jtq h LEU 26 Ca -0.49 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.29 2jtq h LEU 26 Cb 1.30 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2jtq h LEU 26 CO 0.53 0.23 0.18 0.07 -0.34 0.00 0.00 178.44 179.10 2jtq h LYS 27 N 0.55 0.30 0.01 1.25 2.10 -1.89 -3.15 116.57 115.73 2jtq h LYS 27 Ca 0.48 -0.02 -0.37 0.00 -2.00 0.00 0.00 60.65 58.75 2jtq h LYS 27 Cb 0.99 -0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 32.19 2jtq h LYS 27 CO -0.22 0.20 -2.31 0.39 -2.00 0.00 0.00 179.45 175.52 2jtq n GLU 28 N -4.50 0.68 -0.08 0.07 1.02 0.40 -4.43 120.64 113.79 2jtq n GLU 28 Ca 0.01 0.10 0.08 0.00 -0.02 0.00 0.00 57.16 57.33 2jtq n GLU 28 Cb 0.11 -1.57 0.44 0.00 -0.02 0.00 0.00 31.44 30.40 2jtq n GLU 28 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2jtq h VAL 29 N 0.01 1.00 0.00 2.62 3.04 -1.12 0.13 116.25 121.92 2jtq h VAL 29 Ca -0.52 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2jtq h VAL 29 Cb 2.10 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2jtq h VAL 29 CO 0.00 0.10 0.10 0.50 -1.01 0.00 0.00 177.57 177.26 2jtq h LYS 30 N 0.55 0.00 0.00 4.17 3.64 -1.77 -0.23 116.57 122.93 2jtq h LYS 30 Ca 0.25 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.48 2jtq h LYS 30 Cb 0.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2jtq h LYS 30 CO -0.07 0.00 -1.51 0.39 -2.27 0.00 0.00 179.45 175.99 2jtq n GLU 31 N -2.74 0.21 0.17 1.90 1.02 -0.26 -4.81 120.64 116.13 2jtq n GLU 31 Ca -0.02 0.07 0.02 0.00 -0.02 0.00 0.00 57.16 57.20 2jtq n GLU 31 Cb 0.15 -1.04 0.30 0.00 -0.02 0.00 0.00 31.44 30.83 2jtq n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jtq h ARG 32 N -0.13 0.00 -0.51 3.49 3.08 -0.49 -2.49 114.38 117.34 2jtq h ARG 32 Ca -0.21 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.90 2jtq h ARG 32 Cb 1.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 2jtq h ARG 32 CO -0.08 0.45 0.34 0.97 -1.07 0.00 0.00 179.97 180.59 2jtq h ILE 33 N 0.00 0.97 0.00 2.04 6.09 -1.27 -0.18 117.51 125.15 2jtq h ILE 33 Ca -0.00 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 2jtq h ILE 33 Cb 0.83 0.50 0.00 0.00 0.47 0.00 0.00 36.82 38.62 2jtq h ILE 33 CO 0.06 0.08 0.00 0.00 -3.07 0.00 0.00 178.15 175.22 2jtq h ALA 34 N 1.73 1.00 0.00 0.18 0.00 -1.67 0.19 119.26 120.68 2jtq h ALA 34 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 2jtq h ALA 34 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2jtq h ALA 34 CO -0.06 0.00 -1.80 2.41 0.00 0.00 0.00 179.25 179.81 2jtq n THR 35 N -2.88 0.80 0.07 0.00 -1.04 -0.41 -4.09 114.28 106.72 2jtq n THR 35 Ca -0.02 -0.47 -0.12 0.00 -2.04 0.00 0.00 64.05 61.40 2jtq n THR 35 Cb 0.10 -0.74 -0.04 0.00 -1.82 0.00 0.00 70.33 67.83 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 0.49 0.40 -1.77 2.41 0.00 -0.65 -3.40 119.26 116.74 2jtq h ALA 36 Ca -0.31 -0.71 -0.47 0.00 0.00 0.00 0.00 54.91 53.41 2jtq h ALA 36 Cb 1.68 -0.03 -0.32 0.00 0.00 0.00 0.00 17.79 19.12 2jtq h ALA 36 CO 0.01 0.84 -0.89 0.28 0.00 0.00 0.00 179.25 179.49 2jtq n VAL 37 N -3.73 -0.74 0.11 0.00 0.31 0.61 -5.00 118.33 109.89 2jtq n VAL 37 Ca -0.06 -3.01 0.03 0.00 -0.01 0.00 0.00 64.34 61.29 2jtq n VAL 37 Cb 0.83 -0.98 0.40 0.00 -0.91 0.00 0.00 33.84 33.18 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 4.85 0.27 -6.07 5.55 0.13 -1.71 -3.41 132.00 131.62 2jtq h PRO 38 Ca 0.13 -0.05 -0.55 0.00 -0.87 0.00 0.00 66.00 64.66 2jtq h PRO 38 Cb 0.95 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 2jtq h PRO 38 CO 0.34 0.37 1.39 0.34 -0.23 0.00 0.00 178.00 180.20 2jtq s ASP 39 N -6.86 5.48 0.59 1.44 2.15 -1.26 -4.87 116.67 113.34 2jtq s ASP 39 Ca -0.06 1.22 0.34 0.00 0.43 0.00 0.00 52.55 54.48 2jtq s ASP 39 Cb 0.16 -2.52 1.86 0.00 -0.30 0.00 0.00 42.92 42.12 2jtq s ASP 39 CO 0.73 -2.05 2.22 0.11 -0.17 0.00 0.00 175.17 176.01 2jtq h LYS 40 N 14.67 0.00 -0.38 4.34 1.79 -1.91 -2.12 116.57 132.95 2jtq h LYS 40 Ca -0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2jtq h LYS 40 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2jtq h LYS 40 CO 1.07 0.03 0.00 -1.71 -1.08 0.00 0.00 179.45 177.76 2jtq n ASN 41 N -3.52 2.89 -4.76 0.86 5.15 -1.26 -0.75 115.26 113.87 2jtq n ASN 41 Ca -0.02 -1.92 -0.39 0.00 -0.60 0.00 0.00 54.58 51.65 2jtq n ASN 41 Cb 0.14 -0.25 0.01 0.00 -0.53 0.00 0.00 39.78 39.15 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 -1.38 5.94 -1.22 1.20 2.15 -0.80 -4.66 116.67 117.89 2jtq s ASP 42 Ca 0.37 2.62 -0.21 0.00 0.43 0.00 0.00 52.55 55.76 2jtq s ASP 42 Cb 0.21 -2.63 -0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2jtq s ASP 42 CO 0.29 -1.10 1.82 -0.89 -0.17 0.00 0.00 175.17 175.11 2jtq s THR 43 N -1.34 3.83 -0.83 1.71 2.01 -0.04 -4.36 115.64 116.61 2jtq s THR 43 Ca 0.63 -1.37 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 2jtq s THR 43 Cb -0.37 -4.88 -0.02 0.00 0.01 0.00 0.00 72.50 67.25 2jtq s THR 43 CO 0.45 -1.53 1.79 -0.69 -0.69 0.00 0.00 174.62 173.95 2jtq s VAL 44 N 7.46 3.52 0.33 3.82 1.01 -1.23 -1.24 120.40 134.07 2jtq s VAL 44 Ca 0.60 -0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 2jtq s VAL 44 Cb 0.01 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2jtq s VAL 44 CO 0.09 -1.17 1.17 -0.54 0.00 0.00 0.00 175.10 174.65 2jtq s LYS 45 N 6.59 4.41 -0.01 2.72 -0.14 0.09 -1.89 119.74 131.49 2jtq s LYS 45 Ca 0.63 1.91 0.04 0.00 -1.36 0.00 0.00 55.97 57.19 2jtq s LYS 45 Cb -0.07 -3.01 -0.01 0.00 -1.68 0.00 0.00 37.83 33.06 2jtq s LYS 45 CO 0.04 -0.03 -0.14 0.14 -0.76 0.00 0.00 175.35 174.60 2jtq s VAL 46 N -1.24 1.11 0.17 3.17 -7.23 -0.68 -1.23 120.40 114.47 2jtq s VAL 46 Ca 0.49 -0.59 -0.09 0.00 -1.81 0.00 0.00 61.98 59.98 2jtq s VAL 46 Cb -0.33 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.67 2jtq s VAL 46 CO 0.43 0.32 0.29 -0.72 -0.31 0.00 0.00 175.10 175.11 2jtq s TYR 47 N -0.27 0.41 0.00 2.82 -0.85 -1.18 -1.22 117.35 117.06 2jtq s TYR 47 Ca 0.04 -0.77 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 2jtq s TYR 47 Cb -0.06 -0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.22 2jtq s TYR 47 CO -0.00 -0.73 0.00 0.00 -1.52 0.00 0.00 175.55 173.30 2jtq h ASN 49 N 0.00 0.98 -4.87 0.00 -0.73 -1.94 0.22 115.58 109.23 2jtq h ASN 49 Ca 0.00 -0.02 -0.25 0.00 1.87 0.00 0.00 56.30 57.90 2jtq h ASN 49 Cb 0.00 -0.24 -0.15 0.00 0.27 0.00 0.00 38.32 38.20 2jtq h ASN 49 CO 0.00 0.70 -0.66 0.00 -0.37 0.00 0.00 177.43 177.11 2jtq s ALA 50 N -5.95 1.16 -1.05 1.57 0.00 -1.26 -3.32 121.76 112.91 2jtq s ALA 50 Ca -0.12 -1.55 0.16 0.00 0.00 0.00 0.00 51.96 50.45 2jtq s ALA 50 Cb 0.18 0.68 0.69 0.00 0.00 0.00 0.00 23.12 24.68 2jtq s ALA 50 CO 0.80 -0.39 1.50 0.41 0.00 0.00 0.00 175.76 178.08 2jtq n GLY 51 N -0.19 -1.02 0.52 0.00 0.00 -1.26 -3.88 105.19 99.37 2jtq n GLY 51 Ca -0.06 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2jtq n GLY 51 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jtq h ARG 52 N 0.00 -1.27 -0.05 1.61 2.43 -1.97 0.61 114.38 115.73 2jtq h ARG 52 Ca 0.00 0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 2jtq h ARG 52 Cb 0.26 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2jtq h ARG 52 CO 0.00 -0.85 -0.72 0.37 -1.51 0.00 0.00 179.97 177.27 2jtq h GLN 53 N -1.33 0.25 0.00 0.20 4.15 -1.97 -1.30 115.11 115.10 2jtq h GLN 53 Ca -0.14 -0.20 -0.12 0.00 0.77 0.00 0.00 58.65 58.97 2jtq h GLN 53 Cb 1.01 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 2jtq h GLN 53 CO 0.22 0.86 -0.55 0.66 -1.93 0.00 0.00 178.83 178.09 2jtq h SER 54 N 0.17 0.00 -0.17 -0.69 4.64 -1.73 -0.16 113.55 115.61 2jtq h SER 54 Ca -0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2jtq h SER 54 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2jtq h SER 54 CO 0.11 0.55 -0.04 1.23 -0.87 0.00 0.00 176.83 177.81 2jtq h GLY 55 N 1.71 0.35 0.83 -0.77 0.00 -0.36 0.62 103.07 105.45 2jtq h GLY 55 Ca -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.07 2jtq h GLY 55 CO 0.07 0.27 0.37 1.46 0.00 0.00 0.00 176.54 178.71 2jtq h GLN 56 N 0.04 0.70 -0.77 4.80 1.08 -1.19 -2.33 115.11 117.44 2jtq h GLN 56 Ca 0.04 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2jtq h GLN 56 Cb 0.47 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 2jtq h GLN 56 CO 0.02 0.47 0.49 0.00 -0.95 0.00 0.00 178.83 178.86 2jtq h ALA 57 N 1.28 1.02 -0.38 3.87 0.00 -0.75 0.86 119.26 125.16 2jtq h ALA 57 Ca 0.26 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2jtq h ALA 57 Cb 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2jtq h ALA 57 CO -0.12 0.30 0.07 -0.22 0.00 0.00 0.00 179.25 179.28 2jtq h LYS 58 N 0.96 0.19 -0.15 0.00 3.64 -0.36 -0.27 116.57 120.58 2jtq h LYS 58 Ca 0.31 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.46 2jtq h LYS 58 Cb 0.01 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2jtq h LYS 58 CO -0.11 0.12 -0.78 0.93 -2.27 0.00 0.00 179.45 177.34 2jtq h GLU 59 N 0.19 0.77 -0.00 1.90 4.39 -0.90 -1.80 114.58 119.13 2jtq h GLU 59 Ca 0.18 -0.63 0.01 0.00 0.34 0.00 0.00 59.36 59.26 2jtq h GLU 59 Cb 0.22 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2jtq h GLU 59 CO -0.25 1.24 -0.05 0.82 -1.16 0.00 0.00 179.01 179.61 2jtq h ILE 60 N 0.52 0.88 -0.24 3.13 2.04 -0.67 -0.45 117.51 122.71 2jtq h ILE 60 Ca -0.05 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.67 2jtq h ILE 60 Cb 1.41 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2jtq h ILE 60 CO 0.16 0.00 -0.42 -0.07 0.00 0.00 0.00 178.15 177.82 2jtq h LEU 61 N -0.08 0.63 -0.65 1.44 3.38 -0.98 -0.28 115.31 118.77 2jtq h LEU 61 Ca 0.02 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 2jtq h LEU 61 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2jtq h LEU 61 CO -0.05 0.97 -0.51 0.77 0.09 0.00 0.00 178.44 179.71 2jtq h SER 62 N 0.48 0.47 -0.64 -0.43 4.64 -1.23 -0.31 113.55 116.54 2jtq h SER 62 Ca 0.04 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 2jtq h SER 62 Cb 0.93 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 2jtq h SER 62 CO 0.08 0.90 0.07 -0.08 -0.87 0.00 0.00 176.83 176.93 2jtq h GLU 63 N 0.34 1.09 -0.87 4.77 4.57 -0.79 -2.62 114.58 121.06 2jtq h GLU 63 Ca 0.01 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 2jtq h GLU 63 Cb 1.01 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 2jtq h GLU 63 CO 0.09 1.02 0.49 0.52 -1.18 0.00 0.00 179.01 179.95 2jtq h MET 64 N 1.01 1.20 0.00 1.92 2.86 -0.84 -3.47 114.93 117.60 2jtq h MET 64 Ca 0.19 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2jtq h MET 64 Cb 0.49 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2jtq h MET 64 CO 0.02 0.86 0.00 0.41 1.06 0.00 0.00 176.91 179.26 2jtq n GLY 65 N -1.19 -0.82 3.71 8.32 0.00 -0.45 -5.10 105.19 109.66 2jtq n GLY 65 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.16 2.93 -1.64 1.61 1.51 -0.25 -4.91 117.35 116.44 2jtq s TYR 66 Ca 0.00 0.65 0.23 0.00 -1.01 0.00 0.00 57.07 56.95 2jtq s TYR 66 Cb 0.00 -3.85 0.19 0.00 -0.11 0.00 0.00 41.96 38.19 2jtq s TYR 66 CO 0.00 -3.18 1.20 0.25 -1.11 0.00 0.00 175.55 172.72 2jtq n THR 67 N 4.22 0.00 -2.45 -0.71 -2.24 0.07 -4.21 114.28 108.97 2jtq n THR 67 Ca 0.14 -0.14 0.04 0.00 -2.27 0.00 0.00 64.05 61.81 2jtq n THR 67 Cb 0.40 0.88 0.04 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.65 0.11 -1.60 4.78 -0.00 -1.23 -4.97 115.22 111.66 2jtq n HIS 68 Ca 0.08 -0.71 -0.38 0.00 -0.00 0.00 0.00 57.72 56.72 2jtq n HIS 68 Cb 0.40 -0.16 0.05 0.00 -0.00 0.00 0.00 29.99 30.27 2jtq n HIS 68 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 2jtq n VAL 69 N 0.28 3.65 -3.68 3.57 0.24 -1.26 -3.55 118.33 117.58 2jtq n VAL 69 Ca 0.07 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.34 61.72 2jtq n VAL 69 Cb 1.09 -1.10 -0.15 0.00 -1.47 0.00 0.00 33.84 32.21 2jtq n VAL 69 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2jtq s GLU 70 N -2.74 0.09 -0.40 7.34 2.12 -0.79 -4.91 118.70 119.41 2jtq s GLU 70 Ca 0.76 0.60 -0.29 0.00 0.36 0.00 0.00 54.97 56.40 2jtq s GLU 70 Cb -0.41 -0.17 0.02 0.00 0.26 0.00 0.00 34.13 33.82 2jtq s GLU 70 CO 0.47 -0.27 1.24 1.21 -0.54 0.00 0.00 175.26 177.37 2jtq s ASN 71 N 2.12 6.60 0.07 -1.70 3.84 -1.26 -1.69 114.94 122.91 2jtq s ASN 71 Ca 0.00 0.80 -0.15 0.00 0.21 0.00 0.00 52.86 53.73 2jtq s ASN 71 Cb -0.12 -2.54 -0.23 0.00 -0.55 0.00 0.00 41.25 37.81 2jtq s ASN 71 CO -0.07 -1.22 1.19 0.00 -2.79 0.00 0.00 177.10 174.21 2jtq h ALA 72 N 9.50 0.13 0.00 1.71 0.00 -1.53 -3.47 119.26 125.60 2jtq h ALA 72 Ca -0.25 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2jtq h ALA 72 Cb 1.08 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jtq h ALA 72 CO 1.08 0.64 0.00 0.41 0.00 0.00 0.00 179.25 181.38 2jtq n GLY 73 N 1.06 0.49 3.88 0.00 0.00 -1.25 -4.75 105.19 104.62 2jtq n GLY 73 Ca -0.11 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 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 2.15 0.55 -0.02 0.00 -1.26 -3.51 107.32 105.23 2jtq s GLY 74 Ca 0.00 -0.83 0.24 0.00 0.00 0.00 0.00 44.72 44.13 2jtq s GLY 74 CO 0.00 -0.76 2.09 -2.00 0.00 0.00 0.00 173.10 172.43 2jtq h LEU 75 N 3.52 0.00 0.00 0.66 5.85 -0.94 0.03 115.31 124.43 2jtq h LEU 75 Ca -0.47 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.08 2jtq h LEU 75 Cb 1.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 2jtq h LEU 75 CO 0.71 0.00 -0.93 0.11 -0.34 0.00 0.00 178.44 177.98 2jtq h LYS 76 N 0.00 0.00 0.09 1.25 1.79 -1.86 -3.13 116.57 114.70 2jtq h LYS 76 Ca 0.11 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.32 2jtq h LYS 76 Cb 0.48 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2jtq h LYS 76 CO -0.00 0.62 -1.13 0.22 -1.08 0.00 0.00 179.45 178.07 2jtq h ASP 77 N 0.00 0.51 -0.48 0.86 3.58 -1.41 -3.32 116.42 116.16 2jtq h ASP 77 Ca -0.06 -0.48 0.02 0.00 0.42 0.00 0.00 57.03 56.93 2jtq h ASP 77 Cb 1.60 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.46 2jtq h ASP 77 CO 0.08 1.33 0.29 0.40 -2.88 0.00 0.00 179.24 178.47 2jtq h ILE 78 N 0.15 1.07 -4.96 2.25 2.04 -1.25 -3.47 117.51 113.35 2jtq h ILE 78 Ca -0.12 -0.20 -0.24 0.00 1.00 0.00 0.00 64.86 65.30 2jtq h ILE 78 Cb 1.82 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 2jtq h ILE 78 CO 0.19 0.11 -0.34 0.00 0.00 0.00 0.00 178.15 178.11 2jtq n ALA 79 N -2.26 -0.97 -1.36 1.87 0.00 -1.18 -4.98 120.51 111.63 2jtq n ALA 79 Ca 0.03 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 2jtq n ALA 79 Cb 0.06 -1.66 0.09 0.00 0.00 0.00 0.00 19.45 17.94 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 -5.50 2.13 0.20 0.00 -1.94 -1.26 -4.99 119.30 107.94 2jtq s MET 80 Ca 0.19 0.94 -0.32 0.00 -1.71 0.00 0.00 55.69 54.79 2jtq s MET 80 Cb -0.10 -1.90 -0.15 0.00 2.01 0.00 0.00 34.83 34.69 2jtq s MET 80 CO 0.23 -1.67 1.17 -2.30 -0.01 0.00 0.00 175.02 172.45 2jtq n PRO 81 N -3.51 1.31 -4.17 2.03 -0.02 -1.26 -4.90 135.00 124.48 2jtq n PRO 81 Ca 0.08 0.47 -0.25 0.00 -2.02 0.00 0.00 63.50 61.77 2jtq n PRO 81 Cb 0.54 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.98 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 -0.56 2.21 0.02 -0.52 -0.14 -1.26 -1.27 119.74 118.22 2jtq s LYS 82 Ca 0.70 -1.89 0.03 0.00 -1.36 0.00 0.00 55.97 53.45 2jtq s LYS 82 Cb -0.80 -1.95 -0.01 0.00 -1.68 0.00 0.00 37.83 33.39 2jtq s LYS 82 CO 0.53 -0.15 -0.10 0.08 -0.76 0.00 0.00 175.35 174.95 2jtq s VAL 83 N -2.63 0.76 0.12 3.17 1.01 0.04 -4.63 120.40 118.24 2jtq s VAL 83 Ca 0.39 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 2jtq s VAL 83 Cb 0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2jtq s VAL 83 CO 0.21 0.02 0.07 -0.54 0.00 0.00 0.00 175.10 174.87 2jtq s LYS 84 N -0.74 0.88 0.00 2.72 1.02 -1.26 -1.38 119.74 120.99 2jtq s LYS 84 Ca 0.00 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.65 2jtq s LYS 84 Cb -0.06 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 2jtq s LYS 84 CO 0.00 -0.25 0.42 0.41 -0.92 0.00 0.00 175.35 175.02