#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 0.87 0.09 0.00 2.12 -1.26 -1.20 118.70 119.32 2jtq s GLU 2 Ca 0.00 0.23 -0.02 0.00 0.36 0.00 0.00 54.97 55.54 2jtq s GLU 2 Cb 0.00 0.41 -0.03 0.00 0.26 0.00 0.00 34.13 34.76 2jtq s GLU 2 CO 0.00 -0.24 0.04 -1.01 -0.54 0.00 0.00 175.26 173.51 2jtq s HIS 3 N -0.94 0.59 -0.08 5.30 3.76 -0.27 -4.88 115.29 118.77 2jtq s HIS 3 Ca -0.10 -1.06 0.02 0.00 -0.15 0.00 0.00 55.06 53.77 2jtq s HIS 3 Cb -0.02 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.31 2jtq s HIS 3 CO 0.07 -0.46 -0.12 -1.58 -0.85 0.00 0.00 174.74 171.79 2jtq s TRP 4 N -3.96 1.55 -0.21 1.40 0.52 -1.26 -0.74 118.94 116.24 2jtq s TRP 4 Ca 0.13 -0.61 -0.01 0.00 0.02 0.00 0.00 56.10 55.62 2jtq s TRP 4 Cb 0.07 -1.14 0.06 0.00 -1.15 0.00 0.00 33.47 31.31 2jtq s TRP 4 CO -0.06 -0.32 -0.00 0.42 0.02 0.00 0.00 176.95 177.01 2jtq s ILE 5 N 0.78 0.95 -0.71 2.03 -1.09 -0.92 -1.60 121.20 120.64 2jtq s ILE 5 Ca -0.12 -0.84 -0.26 0.00 -2.23 0.00 0.00 60.65 57.19 2jtq s ILE 5 Cb -0.15 -1.36 -0.01 0.00 -1.58 0.00 0.00 42.46 39.36 2jtq s ILE 5 CO 0.02 -0.17 1.70 -0.62 -1.23 0.00 0.00 174.94 174.65 2jtq s ASP 6 N 1.66 5.56 0.00 3.58 2.15 0.25 -1.67 116.67 128.19 2jtq s ASP 6 Ca -0.03 -0.12 0.29 0.00 0.43 0.00 0.00 52.55 53.12 2jtq s ASP 6 Cb -0.18 -2.54 1.66 0.00 -0.30 0.00 0.00 42.92 41.56 2jtq s ASP 6 CO -0.07 -2.24 2.05 1.33 -0.17 0.00 0.00 175.17 176.07 2jtq n VAL 7 N 7.07 0.02 -0.86 1.11 0.24 0.24 -2.05 118.33 124.10 2jtq n VAL 7 Ca 0.19 0.01 -0.30 0.00 -2.04 0.00 0.00 64.34 62.20 2jtq n VAL 7 Cb 0.51 -0.55 0.17 0.00 -1.47 0.00 0.00 33.84 32.50 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 -2.14 0.69 0.51 7.34 3.52 -1.25 -1.88 118.95 125.75 2jtq s ARG 8 Ca 0.40 1.12 -0.22 0.00 -0.13 0.00 0.00 55.73 56.90 2jtq s ARG 8 Cb 0.20 -1.72 -0.07 0.00 -1.56 0.00 0.00 34.95 31.79 2jtq s ARG 8 CO 0.36 -2.71 1.05 1.33 -0.81 0.00 0.00 175.30 174.51 2jtq n VAL 9 N -4.25 3.11 0.25 7.11 0.24 -1.26 -4.03 118.33 119.50 2jtq n VAL 9 Ca 0.08 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 62.02 2jtq n VAL 9 Cb 0.54 -1.25 0.49 0.00 -1.47 0.00 0.00 33.84 32.15 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 1.13 0.00 -0.06 7.34 0.13 -1.95 -3.04 132.00 135.54 2jtq h PRO 10 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jtq h PRO 10 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2jtq h PRO 10 CO 0.54 0.05 0.03 1.49 -0.23 0.00 0.00 178.00 179.88 2jtq h GLU 11 N 0.00 0.10 0.00 0.86 4.57 -2.02 -3.21 114.58 114.87 2jtq h GLU 11 Ca -0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2jtq h GLU 11 Cb 0.71 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2jtq h GLU 11 CO 0.01 0.23 -0.21 1.96 -1.18 0.00 0.00 179.01 179.81 2jtq h GLN 12 N -0.06 0.00 -0.74 1.92 4.20 -1.90 -0.36 115.11 118.18 2jtq h GLN 12 Ca 0.02 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.85 2jtq h GLN 12 Cb 0.17 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 2jtq h GLN 12 CO -0.00 0.21 0.33 -0.92 -0.67 0.00 0.00 178.83 177.78 2jtq h TYR 13 N 0.00 0.58 -0.48 2.96 3.20 -1.65 -1.03 116.97 120.56 2jtq h TYR 13 Ca -0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2jtq h TYR 13 Cb 0.47 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 2jtq h TYR 13 CO 0.00 0.15 0.12 1.96 -1.64 0.00 0.00 178.16 178.75 2jtq h GLN 14 N 0.53 0.71 -0.03 1.82 4.20 -1.15 -3.04 115.11 118.15 2jtq h GLN 14 Ca 0.38 -0.13 -0.22 0.00 0.06 0.00 0.00 58.65 58.74 2jtq h GLN 14 Cb 0.50 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2jtq h GLN 14 CO -0.33 0.65 -0.89 1.96 -0.67 0.00 0.00 178.83 179.54 2jtq h GLN 15 N 0.69 0.48 -1.43 1.46 1.08 -1.19 0.17 115.11 116.38 2jtq h GLN 15 Ca 0.16 -0.48 0.12 0.00 -1.45 0.00 0.00 58.65 56.99 2jtq h GLN 15 Cb 0.25 0.13 -0.26 0.00 -0.05 0.00 0.00 27.48 27.55 2jtq h GLN 15 CO -0.00 1.12 0.63 -2.00 -0.95 0.00 0.00 178.83 177.63 2jtq s GLU 16 N -3.40 0.42 0.06 1.46 2.12 -0.50 -4.55 118.70 114.31 2jtq s GLU 16 Ca -0.07 0.22 -0.15 0.00 0.36 0.00 0.00 54.97 55.33 2jtq s GLU 16 Cb 0.09 0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.71 2jtq s GLU 16 CO 0.87 -0.11 0.35 -3.38 -0.54 0.00 0.00 175.26 172.45 2jtq s HIS 17 N -0.65 -0.16 0.26 5.30 -3.43 0.09 -4.10 115.29 112.61 2jtq s HIS 17 Ca 0.02 0.01 -0.31 0.00 -0.80 0.00 0.00 55.06 53.98 2jtq s HIS 17 Cb -0.02 0.15 -0.12 0.00 -1.43 0.00 0.00 32.58 31.16 2jtq s HIS 17 CO -0.04 -0.56 1.64 0.28 -2.00 0.00 0.00 174.74 174.06 2jtq n VAL 18 N 0.39 0.65 -1.69 -5.38 0.31 -1.26 -0.92 118.33 110.43 2jtq n VAL 18 Ca -0.18 -0.16 -0.52 0.00 -0.01 0.00 0.00 64.34 63.47 2jtq n VAL 18 Cb 0.60 -1.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.53 2jtq n VAL 18 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jtq n GLN 19 N 2.80 1.72 -0.93 5.55 7.27 -0.29 -2.11 117.38 131.38 2jtq n GLN 19 Ca 0.11 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.81 2jtq n GLN 19 Cb 0.36 -2.40 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 4.19 1.00 3.77 1.69 0.00 -1.26 -5.01 105.19 109.57 2jtq n GLY 20 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.77 2.44 0.50 4.61 0.00 -0.90 -4.94 121.76 119.70 2jtq s ALA 21 Ca 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 51.96 52.34 2jtq s ALA 21 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2jtq s ALA 21 CO 0.00 -1.37 0.86 0.42 0.00 0.00 0.00 175.76 175.68 2jtq s ILE 22 N -2.48 4.79 -0.07 0.00 -1.09 -0.63 -4.94 121.20 116.78 2jtq s ILE 22 Ca 0.65 0.58 0.04 0.00 -2.23 0.00 0.00 60.65 59.70 2jtq s ILE 22 Cb -0.20 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 2jtq s ILE 22 CO 0.45 -0.83 -0.19 0.21 -1.23 0.00 0.00 174.94 173.35 2jtq s ASN 23 N -3.78 2.49 -0.12 3.58 3.84 -1.26 -0.59 114.94 119.11 2jtq s ASN 23 Ca 0.51 -0.43 -0.06 0.00 0.21 0.00 0.00 52.86 53.10 2jtq s ASN 23 Cb -0.10 -1.02 0.05 0.00 -0.55 0.00 0.00 41.25 39.63 2jtq s ASN 23 CO 0.42 0.12 0.27 -0.63 -2.79 0.00 0.00 177.10 174.50 2jtq s ILE 24 N 0.35 -0.14 0.47 -5.21 1.01 -0.87 -4.96 121.20 111.85 2jtq s ILE 24 Ca -0.13 0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 2jtq s ILE 24 Cb -0.16 -0.43 -0.07 0.00 0.01 0.00 0.00 42.46 41.82 2jtq s ILE 24 CO 0.06 0.07 1.28 -2.16 0.00 0.00 0.00 174.94 174.18 2jtq s PRO 25 N 1.57 3.63 0.39 2.79 0.04 -1.26 -3.96 135.00 138.20 2jtq s PRO 25 Ca -0.07 2.06 0.15 0.00 0.04 0.00 0.00 61.00 63.18 2jtq s PRO 25 Cb -0.11 -2.48 1.00 0.00 0.04 0.00 0.00 34.50 32.96 2jtq s PRO 25 CO -0.09 -0.74 1.81 1.25 0.04 0.00 0.00 177.00 179.28 2jtq h LEU 26 N 2.08 0.51 -0.75 -3.56 5.85 -1.64 0.11 115.31 117.92 2jtq h LEU 26 Ca -0.50 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.36 2jtq h LEU 26 Cb 1.26 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 2jtq h LEU 26 CO 0.60 0.17 0.43 0.50 -0.34 0.00 0.00 178.44 179.80 2jtq h LYS 27 N 0.49 0.74 0.01 1.25 3.64 -1.90 -2.40 116.57 118.40 2jtq h LYS 27 Ca 0.53 -0.04 -0.26 0.00 -1.27 0.00 0.00 60.65 59.61 2jtq h LYS 27 Cb 1.20 -0.17 0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2jtq h LYS 27 CO -0.26 0.49 -1.03 0.93 -2.27 0.00 0.00 179.45 177.32 2jtq h GLU 28 N 0.76 0.61 -0.98 1.90 5.08 -1.16 -3.33 114.58 117.46 2jtq h GLU 28 Ca 0.34 -0.67 0.22 0.00 -1.00 0.00 0.00 59.36 58.26 2jtq h GLU 28 Cb 0.24 0.19 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 2jtq h GLU 28 CO -0.20 1.27 0.57 0.28 -1.00 0.00 0.00 179.01 179.92 2jtq h VAL 29 N 0.34 0.59 0.00 3.13 2.07 -0.84 0.28 116.25 121.82 2jtq h VAL 29 Ca -0.12 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2jtq h VAL 29 Cb 1.68 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2jtq h VAL 29 CO 0.19 0.11 0.00 1.17 0.02 0.00 0.00 177.57 179.07 2jtq n LYS 30 N -4.87 0.01 0.00 1.57 4.81 -1.13 -0.85 118.16 117.70 2jtq n LYS 30 Ca 0.25 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 2jtq n LYS 30 Cb 0.67 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.22 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 -1.47 0.00 0.29 1.64 1.02 -0.28 -4.84 120.64 116.99 2jtq n GLU 31 Ca 0.01 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.33 2jtq n GLU 31 Cb 0.05 -0.64 0.77 0.00 -0.02 0.00 0.00 31.44 31.60 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 -0.79 3.49 2.43 -0.38 -1.45 114.38 117.68 2jtq h ARG 32 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2jtq h ARG 32 Cb 0.82 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 2jtq h ARG 32 CO 0.00 0.02 0.52 0.97 -1.51 0.00 0.00 179.97 179.96 2jtq h ILE 33 N 0.00 1.10 -0.02 1.20 6.09 -1.19 -1.45 117.51 123.24 2jtq h ILE 33 Ca -0.00 -0.32 0.01 0.00 -1.37 0.00 0.00 64.86 63.18 2jtq h ILE 33 Cb 0.43 0.08 -0.00 0.00 0.47 0.00 0.00 36.82 37.80 2jtq h ILE 33 CO 0.00 0.17 0.02 0.00 -3.07 0.00 0.00 178.15 175.27 2jtq h ALA 34 N 1.55 1.98 0.00 0.18 0.00 -1.50 0.32 119.26 121.79 2jtq h ALA 34 Ca 0.32 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2jtq h ALA 34 Cb 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jtq h ALA 34 CO -0.10 -0.03 -0.07 1.15 0.00 0.00 0.00 179.25 180.20 2jtq h THR 35 N 0.00 0.16 0.00 0.00 2.02 -1.39 -3.04 112.91 110.66 2jtq h THR 35 Ca 0.01 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2jtq h THR 35 Cb 0.05 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2jtq h THR 35 CO -0.00 0.07 -1.14 0.00 0.37 0.00 0.00 175.52 174.81 2jtq n ALA 36 N -2.13 2.09 -2.77 6.16 0.00 -0.25 -4.80 120.51 118.82 2jtq n ALA 36 Ca 0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 2jtq n ALA 36 Cb 0.37 -0.07 0.02 0.00 0.00 0.00 0.00 19.45 19.77 2jtq n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jtq n VAL 37 N -1.66 0.71 0.21 0.00 0.31 0.96 -4.97 118.33 113.90 2jtq n VAL 37 Ca -0.01 -3.27 0.04 0.00 -0.01 0.00 0.00 64.34 61.09 2jtq n VAL 37 Cb 0.13 0.51 0.45 0.00 -0.91 0.00 0.00 33.84 34.02 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 2.96 0.00 -6.49 5.55 0.13 -1.71 -3.36 132.00 129.08 2jtq h PRO 38 Ca -0.07 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.51 2jtq h PRO 38 Cb 1.14 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 2jtq h PRO 38 CO 0.47 0.26 1.02 0.34 -0.23 0.00 0.00 178.00 179.87 2jtq s ASP 39 N -6.92 6.32 0.46 1.44 2.15 -1.26 -4.91 116.67 113.95 2jtq s ASP 39 Ca -0.03 -0.03 0.28 0.00 0.43 0.00 0.00 52.55 53.19 2jtq s ASP 39 Cb 0.15 -2.55 1.51 0.00 -0.30 0.00 0.00 42.92 41.73 2jtq s ASP 39 CO 0.70 -1.62 1.83 0.11 -0.17 0.00 0.00 175.17 176.03 2jtq h LYS 40 N 9.91 0.00 0.00 4.34 1.57 -1.95 -2.15 116.57 128.29 2jtq h LYS 40 Ca -0.26 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 2jtq h LYS 40 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2jtq h LYS 40 CO 1.21 0.00 -0.19 -0.97 -0.57 0.00 0.00 179.45 178.93 2jtq h ASN 41 N 0.00 0.00 -2.97 0.86 -1.24 -1.92 -2.75 115.58 107.56 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 0.18 0.00 0.04 0.00 0.73 0.00 0.00 38.32 39.27 2jtq h ASN 41 CO 0.00 0.19 0.81 -1.81 -1.29 0.00 0.00 177.43 175.33 2jtq s ASP 42 N -6.12 6.67 0.58 1.15 1.01 -0.81 -4.54 116.67 114.61 2jtq s ASP 42 Ca 0.01 2.54 -0.20 0.00 0.71 0.00 0.00 52.55 55.61 2jtq s ASP 42 Cb 0.10 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2jtq s ASP 42 CO 0.63 -0.75 1.25 -0.89 0.21 0.00 0.00 175.17 175.61 2jtq s THR 43 N 0.92 2.48 -0.06 -1.27 2.01 -0.34 -4.57 115.64 114.81 2jtq s THR 43 Ca 0.66 0.32 0.03 0.00 0.31 0.00 0.00 61.69 63.01 2jtq s THR 43 Cb -0.41 -3.14 0.01 0.00 0.01 0.00 0.00 72.50 68.97 2jtq s THR 43 CO 0.33 -0.05 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.39 2jtq s VAL 44 N -1.50 1.20 -0.62 3.82 1.01 -1.15 -1.12 120.40 122.04 2jtq s VAL 44 Ca 0.75 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 2jtq s VAL 44 Cb -0.33 -1.08 0.16 0.00 0.00 0.00 0.00 36.38 35.13 2jtq s VAL 44 CO 0.37 0.37 0.44 -0.54 0.00 0.00 0.00 175.10 175.74 2jtq s LYS 45 N 0.51 2.58 0.33 2.72 1.02 0.08 -0.97 119.74 126.02 2jtq s LYS 45 Ca -0.12 -2.51 -0.27 0.00 0.02 0.00 0.00 55.97 53.09 2jtq s LYS 45 Cb -0.15 -3.75 -0.09 0.00 -0.52 0.00 0.00 37.83 33.32 2jtq s LYS 45 CO 0.04 -1.17 1.07 0.14 -0.92 0.00 0.00 175.35 174.51 2jtq s VAL 46 N -0.02 3.59 0.15 3.17 -7.23 -1.00 -2.16 120.40 116.90 2jtq s VAL 46 Ca 0.17 1.43 -0.06 0.00 -1.81 0.00 0.00 61.98 61.71 2jtq s VAL 46 Cb -0.20 -3.84 -0.02 0.00 0.56 0.00 0.00 36.38 32.88 2jtq s VAL 46 CO -0.04 0.21 0.19 -0.72 -0.31 0.00 0.00 175.10 174.44 2jtq s TYR 47 N -1.37 0.59 0.00 2.82 1.13 -0.67 -1.40 117.35 118.45 2jtq s TYR 47 Ca 0.50 -0.96 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 2jtq s TYR 47 Cb -0.28 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.35 2jtq s TYR 47 CO 0.35 -0.64 0.00 0.00 -2.51 0.00 0.00 175.55 172.75 2jtq h ASN 49 N 0.00 -0.10 0.00 0.00 -0.73 -1.93 0.82 115.58 113.63 2jtq h ASN 49 Ca 0.00 -0.24 0.00 0.00 1.87 0.00 0.00 56.30 57.93 2jtq h ASN 49 Cb 0.00 0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.62 2jtq h ASN 49 CO 0.00 0.18 0.00 0.00 -0.37 0.00 0.00 177.43 177.24 2jtq n ALA 50 N -2.29 0.29 0.00 1.57 0.00 -1.26 -2.26 120.51 116.56 2jtq n ALA 50 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2jtq n ALA 50 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 0.05 2.02 0.48 0.00 0.00 -1.26 -4.21 105.19 102.27 2jtq n GLY 51 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.15 -0.11 1.61 2.43 -1.96 -0.11 114.38 115.09 2jtq h ARG 52 Ca 0.00 0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 2jtq h ARG 52 Cb 0.00 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2jtq h ARG 52 CO 0.00 -0.77 -0.51 0.37 -1.51 0.00 0.00 179.97 177.55 2jtq h GLN 53 N -1.30 0.29 -0.08 0.20 4.15 -1.95 -2.05 115.11 114.37 2jtq h GLN 53 Ca -0.12 -0.17 -0.14 0.00 0.77 0.00 0.00 58.65 58.99 2jtq h GLN 53 Cb 0.92 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 2jtq h GLN 53 CO 0.20 0.73 -0.59 0.66 -1.93 0.00 0.00 178.83 177.90 2jtq h SER 54 N 0.23 0.28 -0.16 -0.69 4.64 -1.83 0.05 113.55 116.08 2jtq h SER 54 Ca 0.01 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2jtq h SER 54 Cb 0.98 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2jtq h SER 54 CO 0.08 0.81 0.08 1.23 -0.87 0.00 0.00 176.83 178.16 2jtq h GLY 55 N 1.44 0.24 1.02 -0.77 0.00 -0.53 0.71 103.07 105.19 2jtq h GLY 55 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2jtq h GLY 55 CO 0.09 0.11 0.43 -1.61 0.00 0.00 0.00 176.54 175.56 2jtq h GLN 56 N 0.14 1.15 -0.74 4.80 5.75 -1.31 -2.78 115.11 122.12 2jtq h GLN 56 Ca 0.06 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 2jtq h GLN 56 Cb 0.10 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 2jtq h GLN 56 CO -0.01 0.86 0.33 0.00 -2.65 0.00 0.00 178.83 177.36 2jtq h ALA 57 N 1.23 1.20 -0.44 3.38 0.00 -0.58 -1.01 119.26 123.04 2jtq h ALA 57 Ca 0.28 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jtq h ALA 57 Cb 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2jtq h ALA 57 CO -0.04 0.60 0.21 -0.22 0.00 0.00 0.00 179.25 179.79 2jtq h LYS 58 N 1.05 0.40 -0.10 0.00 3.64 -0.59 -0.68 116.57 120.29 2jtq h LYS 58 Ca 0.25 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.43 2jtq h LYS 58 Cb 0.14 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2jtq h LYS 58 CO -0.03 0.27 -0.68 0.93 -2.27 0.00 0.00 179.45 177.66 2jtq h GLU 59 N 0.41 0.42 0.04 1.90 4.39 -1.34 -0.87 114.58 119.53 2jtq h GLU 59 Ca 0.19 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.58 2jtq h GLU 59 Cb 0.12 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2jtq h GLU 59 CO -0.15 0.95 -0.08 0.82 -1.16 0.00 0.00 179.01 179.39 2jtq h ILE 60 N 0.29 0.82 -0.20 3.13 2.04 -0.89 0.65 117.51 123.35 2jtq h ILE 60 Ca -0.02 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 2jtq h ILE 60 Cb 1.25 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2jtq h ILE 60 CO 0.12 0.00 -0.33 -0.07 0.00 0.00 0.00 178.15 177.86 2jtq h LEU 61 N -0.15 0.43 -0.72 1.44 3.38 -0.94 -0.35 115.31 118.39 2jtq h LEU 61 Ca 0.02 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2jtq h LEU 61 Cb 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2jtq h LEU 61 CO -0.05 0.74 0.16 0.28 0.09 0.00 0.00 178.44 179.66 2jtq h SER 62 N 0.36 1.07 -0.16 -0.43 0.02 -0.96 -1.84 113.55 111.61 2jtq h SER 62 Ca 0.04 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.67 2jtq h SER 62 Cb 0.76 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2jtq h SER 62 CO 0.06 1.04 -0.18 -0.08 -1.14 0.00 0.00 176.83 176.53 2jtq h GLU 63 N 1.07 0.57 0.00 3.45 4.81 -0.33 -0.68 114.58 123.46 2jtq h GLU 63 Ca 0.22 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2jtq h GLU 63 Cb 0.39 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2jtq h GLU 63 CO 0.01 0.73 0.00 -1.33 -0.73 0.00 0.00 179.01 177.68 2jtq n MET 64 N -4.15 0.41 -0.98 1.92 2.81 -0.19 -4.87 117.12 112.06 2jtq n MET 64 Ca 0.00 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2jtq n MET 64 Cb 0.37 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 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 -0.08 0.42 3.66 3.03 0.00 -0.26 -5.00 105.19 106.95 2jtq n GLY 65 Ca 0.10 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 1.89 -0.69 1.61 1.51 -0.73 -4.88 117.35 114.07 2jtq s TYR 66 Ca 0.00 0.15 0.26 0.00 -1.01 0.00 0.00 57.07 56.47 2jtq s TYR 66 Cb 0.00 -3.96 0.87 0.00 -0.11 0.00 0.00 41.96 38.77 2jtq s TYR 66 CO 0.00 -3.98 1.77 0.25 -1.11 0.00 0.00 175.55 172.47 2jtq n THR 67 N 5.60 0.62 -3.78 -0.71 -2.24 -1.04 -4.38 114.28 108.35 2jtq n THR 67 Ca 0.18 -0.14 -0.28 0.00 -2.27 0.00 0.00 64.05 61.54 2jtq n THR 67 Cb 0.43 -0.72 -0.16 0.00 -2.10 0.00 0.00 70.33 67.77 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 -3.15 1.23 0.00 4.78 3.76 -1.24 -5.02 115.29 115.66 2jtq s HIS 68 Ca 0.09 -0.92 -0.01 0.00 -0.15 0.00 0.00 55.06 54.07 2jtq s HIS 68 Cb 0.12 -1.10 -0.01 0.00 1.11 0.00 0.00 32.58 32.70 2jtq s HIS 68 CO 0.54 -0.60 0.01 0.08 -0.85 0.00 0.00 174.74 173.92 2jtq s VAL 69 N 1.79 0.06 0.01 -0.90 1.01 -1.26 -2.94 120.40 118.17 2jtq s VAL 69 Ca -0.01 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 2jtq s VAL 69 Cb -0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 2jtq s VAL 69 CO -0.07 -0.26 0.12 -0.70 0.00 0.00 0.00 175.10 174.19 2jtq s GLU 70 N -0.76 0.50 -0.34 2.72 2.56 -0.14 -4.91 118.70 118.33 2jtq s GLU 70 Ca -0.08 -0.49 -0.11 0.00 0.00 0.00 0.00 54.97 54.28 2jtq s GLU 70 Cb -0.05 0.21 0.01 0.00 2.00 0.00 0.00 34.13 36.29 2jtq s GLU 70 CO -0.00 -0.12 0.19 1.21 -0.56 0.00 0.00 175.26 175.97 2jtq s ASN 71 N -1.57 5.69 0.18 -1.70 3.84 -1.26 -2.38 114.94 117.74 2jtq s ASN 71 Ca -0.13 -0.71 -0.03 0.00 0.21 0.00 0.00 52.86 52.21 2jtq s ASN 71 Cb -0.06 -2.03 0.06 0.00 -0.55 0.00 0.00 41.25 38.67 2jtq s ASN 71 CO 0.00 -0.28 1.45 0.00 -2.79 0.00 0.00 177.10 175.48 2jtq h ALA 72 N 8.41 0.61 0.00 1.71 0.00 -1.52 -3.48 119.26 124.99 2jtq h ALA 72 Ca -0.29 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2jtq h ALA 72 Cb 1.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jtq h ALA 72 CO 0.64 0.72 0.00 0.41 0.00 0.00 0.00 179.25 181.03 2jtq n GLY 73 N 0.44 0.26 3.25 0.00 0.00 -1.25 -4.85 105.19 103.04 2jtq n GLY 73 Ca -0.04 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 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 1.10 0.42 -0.02 0.00 -1.26 -3.28 107.32 104.28 2jtq s GLY 74 Ca 0.00 -1.29 0.17 0.00 0.00 0.00 0.00 44.72 43.60 2jtq s GLY 74 CO 0.00 -1.34 1.87 -2.00 0.00 0.00 0.00 173.10 171.63 2jtq h LEU 75 N 3.57 0.41 -1.49 0.66 5.85 -0.37 -0.43 115.31 123.51 2jtq h LEU 75 Ca -0.40 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2jtq h LEU 75 Cb 1.20 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2jtq h LEU 75 CO 0.49 0.18 0.00 0.11 -0.34 0.00 0.00 178.44 178.88 2jtq h LYS 76 N 0.42 0.00 0.00 1.25 1.57 -1.81 -3.13 116.57 114.87 2jtq h LYS 76 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2jtq h LYS 76 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2jtq h LYS 76 CO -0.16 0.00 -0.29 -3.47 -0.57 0.00 0.00 179.45 174.96 2jtq n ASP 77 N -2.42 1.45 -4.69 0.86 2.03 -0.22 -5.05 116.55 108.52 2jtq n ASP 77 Ca -0.01 -0.21 -0.42 0.00 0.52 0.00 0.00 54.79 54.67 2jtq n ASP 77 Cb 0.10 0.70 -0.03 0.00 -0.72 0.00 0.00 41.12 41.18 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 -0.99 3.47 -1.25 5.18 1.01 -0.92 -4.91 121.20 122.78 2jtq s ILE 78 Ca 0.00 0.85 -0.07 0.00 0.00 0.00 0.00 60.65 61.43 2jtq s ILE 78 Cb 0.00 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.93 2jtq s ILE 78 CO 0.00 -0.01 2.75 0.00 0.00 0.00 0.00 174.94 177.68 2jtq n ALA 79 N 5.65 7.04 -2.44 9.38 0.00 -1.26 -4.88 120.51 134.01 2jtq n ALA 79 Ca 0.15 -3.59 -0.18 0.00 0.00 0.00 0.00 53.44 49.81 2jtq n ALA 79 Cb 0.42 -2.91 -0.11 0.00 0.00 0.00 0.00 19.45 16.85 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 0.24 1.08 0.75 0.00 -1.94 -1.26 -5.15 119.30 113.03 2jtq s MET 80 Ca 0.62 -1.32 -0.14 0.00 -1.71 0.00 0.00 55.69 53.14 2jtq s MET 80 Cb 0.21 -0.92 0.05 0.00 2.01 0.00 0.00 34.83 36.18 2jtq s MET 80 CO -0.09 0.17 1.17 -1.25 -0.01 0.00 0.00 175.02 175.01 2jtq s PRO 81 N -2.94 2.07 0.06 2.03 0.04 -1.26 -4.91 135.00 130.09 2jtq s PRO 81 Ca 0.12 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.78 2jtq s PRO 81 Cb -0.03 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2jtq s PRO 81 CO 0.03 -1.86 -0.05 0.15 0.04 0.00 0.00 177.00 175.32 2jtq s LYS 82 N -4.16 0.62 0.07 4.56 1.02 -1.26 -1.13 119.74 119.47 2jtq s LYS 82 Ca 0.71 -1.07 -0.00 0.00 0.02 0.00 0.00 55.97 55.63 2jtq s LYS 82 Cb -0.25 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.96 2jtq s LYS 82 CO 0.48 -0.03 -0.03 0.08 -0.92 0.00 0.00 175.35 174.92 2jtq s VAL 83 N -2.90 0.36 0.26 3.17 1.01 -0.10 -4.77 120.40 117.44 2jtq s VAL 83 Ca 0.02 -1.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.02 2jtq s VAL 83 Cb 0.00 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 2jtq s VAL 83 CO -0.05 -0.90 0.49 -1.59 0.00 0.00 0.00 175.10 173.05 2jtq s LYS 84 N -3.91 1.61 0.00 2.72 -2.85 -1.26 -0.73 119.74 115.32 2jtq s LYS 84 Ca 0.10 -1.31 0.00 0.00 -1.00 0.00 0.00 55.97 53.77 2jtq s LYS 84 Cb 0.07 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 2jtq s LYS 84 CO -0.07 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.11