#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 0.70 0.16 0.00 2.12 -1.26 -1.00 118.70 119.42 2jtq s GLU 2 Ca 0.00 -0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.26 2jtq s GLU 2 Cb 0.00 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.68 2jtq s GLU 2 CO 0.00 -0.19 0.19 -1.01 -0.54 0.00 0.00 175.26 173.71 2jtq s HIS 3 N -1.10 0.67 -0.23 5.30 3.76 -0.50 -4.90 115.29 118.29 2jtq s HIS 3 Ca -0.11 -1.02 0.00 0.00 -0.15 0.00 0.00 55.06 53.78 2jtq s HIS 3 Cb -0.04 -0.27 0.06 0.00 1.11 0.00 0.00 32.58 33.44 2jtq s HIS 3 CO 0.05 -0.65 -0.04 -1.58 -0.85 0.00 0.00 174.74 171.67 2jtq s TRP 4 N -4.02 2.21 -0.26 1.40 0.52 -1.26 -0.57 118.94 116.96 2jtq s TRP 4 Ca 0.23 -1.64 -0.06 0.00 0.02 0.00 0.00 56.10 54.65 2jtq s TRP 4 Cb 0.05 -1.51 -0.00 0.00 -1.15 0.00 0.00 33.47 30.86 2jtq s TRP 4 CO 0.03 -0.75 0.04 0.42 0.02 0.00 0.00 176.95 176.70 2jtq s ILE 5 N 1.46 3.84 -0.70 2.03 1.09 -0.46 -1.37 121.20 127.07 2jtq s ILE 5 Ca -0.05 -0.52 -0.27 0.00 -1.10 0.00 0.00 60.65 58.71 2jtq s ILE 5 Cb -0.19 -2.87 0.02 0.00 -1.06 0.00 0.00 42.46 38.37 2jtq s ILE 5 CO -0.06 0.25 1.37 -0.62 -0.10 0.00 0.00 174.94 175.78 2jtq s ASP 6 N 1.52 6.04 0.00 3.58 2.15 0.37 -2.53 116.67 127.79 2jtq s ASP 6 Ca 0.04 -0.27 0.31 0.00 0.43 0.00 0.00 52.55 53.06 2jtq s ASP 6 Cb -0.16 -2.55 1.76 0.00 -0.30 0.00 0.00 42.92 41.66 2jtq s ASP 6 CO 0.01 -1.90 2.16 1.33 -0.17 0.00 0.00 175.17 176.60 2jtq n VAL 7 N 6.54 0.00 -0.83 1.11 0.24 0.22 -2.14 118.33 123.48 2jtq n VAL 7 Ca 0.06 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.07 2jtq n VAL 7 Cb 0.49 -0.50 0.20 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.22 0.19 0.54 7.34 3.52 -1.25 -1.61 118.95 125.46 2jtq s ARG 8 Ca 0.40 0.93 -0.22 0.00 -0.13 0.00 0.00 55.73 56.72 2jtq s ARG 8 Cb 0.21 -1.68 -0.05 0.00 -1.56 0.00 0.00 34.95 31.87 2jtq s ARG 8 CO 0.40 -3.00 1.31 1.33 -0.81 0.00 0.00 175.30 174.53 2jtq n VAL 9 N -4.43 3.72 0.24 7.11 0.24 -1.26 -4.16 118.33 119.79 2jtq n VAL 9 Ca 0.06 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.98 2jtq n VAL 9 Cb 0.54 -1.60 0.51 0.00 -1.47 0.00 0.00 33.84 31.83 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 1.38 0.00 -0.14 7.34 0.13 -1.95 -3.05 132.00 135.71 2jtq h PRO 10 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2jtq h PRO 10 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2jtq h PRO 10 CO 0.57 0.17 -0.05 1.49 -0.23 0.00 0.00 178.00 179.94 2jtq h GLU 11 N 0.00 0.21 0.00 0.86 4.81 -2.00 -2.62 114.58 115.84 2jtq h GLU 11 Ca -0.00 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 2jtq h GLU 11 Cb 0.69 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 2jtq h GLU 11 CO 0.02 0.28 -0.93 1.96 -0.73 0.00 0.00 179.01 179.62 2jtq h GLN 12 N 0.21 0.00 -0.38 1.92 4.20 -1.90 -3.06 115.11 116.10 2jtq h GLN 12 Ca 0.05 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.82 2jtq h GLN 12 Cb 0.24 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2jtq h GLN 12 CO 0.01 0.69 0.26 -0.92 -0.67 0.00 0.00 178.83 178.20 2jtq h TYR 13 N 0.00 0.25 0.00 2.96 5.03 -1.57 -0.78 116.97 122.86 2jtq h TYR 13 Ca -0.05 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.27 2jtq h TYR 13 Cb 1.63 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.83 2jtq h TYR 13 CO 0.00 0.14 0.00 1.04 -1.32 0.00 0.00 178.16 178.02 2jtq n GLN 14 N -4.48 0.56 0.00 1.82 1.13 -1.15 -3.66 117.38 111.60 2jtq n GLN 14 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 2jtq n GLN 14 Cb 0.26 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.30 2jtq n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2jtq n GLN 15 N -0.81 0.00 -3.60 -1.09 6.02 -0.37 -4.07 117.38 113.45 2jtq n GLN 15 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.92 2jtq n GLN 15 Cb 0.04 -0.57 -0.07 0.00 1.02 0.00 0.00 30.24 30.66 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 -1.88 0.89 0.13 -1.09 2.12 -0.74 -1.05 118.70 117.07 2jtq s GLU 16 Ca 0.00 0.36 -0.16 0.00 0.36 0.00 0.00 54.97 55.53 2jtq s GLU 16 Cb 0.00 0.42 0.03 0.00 0.26 0.00 0.00 34.13 34.85 2jtq s GLU 16 CO 0.00 -0.23 0.40 -3.38 -0.54 0.00 0.00 175.26 171.51 2jtq s HIS 17 N -0.77 -0.19 0.30 5.30 -3.43 -0.45 -4.13 115.29 111.93 2jtq s HIS 17 Ca -0.08 -0.13 -0.29 0.00 -0.80 0.00 0.00 55.06 53.76 2jtq s HIS 17 Cb -0.02 0.26 -0.11 0.00 -1.43 0.00 0.00 32.58 31.28 2jtq s HIS 17 CO 0.06 -0.71 1.47 0.08 -2.00 0.00 0.00 174.74 173.65 2jtq s VAL 18 N -3.81 2.36 0.09 -5.38 1.01 -1.26 -0.96 120.40 112.45 2jtq s VAL 18 Ca 0.03 0.33 -0.34 0.00 0.00 0.00 0.00 61.98 62.00 2jtq s VAL 18 Cb 0.02 -3.21 -0.13 0.00 0.00 0.00 0.00 36.38 33.06 2jtq s VAL 18 CO -0.12 0.06 1.67 1.67 0.00 0.00 0.00 175.10 178.39 2jtq n GLN 19 N 1.61 2.16 -0.98 2.72 7.27 -0.37 -2.26 117.38 127.53 2jtq n GLN 19 Ca 0.05 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.90 2jtq n GLN 19 Cb 0.39 -2.58 0.00 0.00 2.41 0.00 0.00 30.24 30.47 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 3.72 0.75 3.62 1.69 0.00 -1.26 -5.00 105.19 108.72 2jtq n GLY 20 Ca 0.19 0.00 -0.30 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 -2.99 0.74 -0.04 4.61 0.00 -0.96 -4.78 121.76 118.35 2jtq s ALA 21 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2jtq s ALA 21 Cb 0.00 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 2jtq s ALA 21 CO 0.00 -3.45 -0.17 0.42 0.00 0.00 0.00 175.76 172.56 2jtq s ILE 22 N -3.06 1.42 -0.14 0.00 1.01 -0.47 -5.01 121.20 114.94 2jtq s ILE 22 Ca 0.71 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 60.42 2jtq s ILE 22 Cb -0.10 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 2jtq s ILE 22 CO 0.56 0.41 0.64 0.21 0.00 0.00 0.00 174.94 176.76 2jtq s ASN 23 N -0.02 6.79 -0.13 3.58 3.84 -1.26 -0.48 114.94 127.27 2jtq s ASN 23 Ca -0.02 0.95 -0.04 0.00 0.21 0.00 0.00 52.86 53.96 2jtq s ASN 23 Cb -0.11 -2.36 0.05 0.00 -0.55 0.00 0.00 41.25 38.28 2jtq s ASN 23 CO 0.02 -0.19 0.09 -0.63 -2.79 0.00 0.00 177.10 173.60 2jtq s ILE 24 N 1.39 -0.11 0.58 -5.21 1.01 -0.91 -4.95 121.20 113.00 2jtq s ILE 24 Ca 0.31 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.83 2jtq s ILE 24 Cb -0.16 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2jtq s ILE 24 CO 0.13 -0.11 1.19 -2.16 0.00 0.00 0.00 174.94 173.99 2jtq s PRO 25 N 2.16 3.04 0.32 2.79 0.04 -1.26 -3.93 135.00 138.17 2jtq s PRO 25 Ca 0.03 1.78 0.07 0.00 0.04 0.00 0.00 61.00 62.92 2jtq s PRO 25 Cb -0.15 -1.94 0.74 0.00 0.04 0.00 0.00 34.50 33.19 2jtq s PRO 25 CO -0.07 -1.14 1.83 1.25 0.04 0.00 0.00 177.00 178.91 2jtq h LEU 26 N 0.94 0.75 -1.76 -3.56 5.85 -1.55 0.15 115.31 116.12 2jtq h LEU 26 Ca -0.50 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2jtq h LEU 26 Cb 1.29 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2jtq h LEU 26 CO 0.55 0.35 -0.11 0.07 -0.34 0.00 0.00 178.44 178.96 2jtq h LYS 27 N 0.78 0.01 0.03 1.25 2.10 -1.90 -2.08 116.57 116.76 2jtq h LYS 27 Ca 0.50 -0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.05 2jtq h LYS 27 Cb 0.74 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.08 2jtq h LYS 27 CO -0.27 0.12 -0.40 0.93 -2.00 0.00 0.00 179.45 177.83 2jtq h GLU 28 N 0.01 0.22 -0.92 0.07 5.08 -1.10 -3.38 114.58 114.56 2jtq h GLU 28 Ca 0.00 -0.28 0.21 0.00 -1.00 0.00 0.00 59.36 58.29 2jtq h GLU 28 Cb 0.20 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.42 2jtq h GLU 28 CO 0.01 1.03 0.47 0.28 -1.00 0.00 0.00 179.01 179.81 2jtq h VAL 29 N -0.46 0.55 0.00 3.13 2.07 -0.56 0.29 116.25 121.27 2jtq h VAL 29 Ca -0.06 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2jtq h VAL 29 Cb 1.20 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2jtq h VAL 29 CO 0.08 0.09 0.00 1.17 0.02 0.00 0.00 177.57 178.93 2jtq n LYS 30 N -4.95 0.08 0.00 1.57 4.81 -1.07 -1.24 118.16 117.36 2jtq n LYS 30 Ca 0.22 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 2jtq n LYS 30 Cb 0.63 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.92 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 -1.94 0.00 0.15 1.64 1.02 -0.12 -4.85 120.64 116.53 2jtq n GLU 31 Ca -0.01 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.14 2jtq n GLU 31 Cb 0.03 -0.87 0.29 0.00 -0.02 0.00 0.00 31.44 30.87 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 0.08 -0.31 3.49 2.43 -0.32 -2.61 114.38 117.14 2jtq h ARG 32 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2jtq h ARG 32 Cb 0.91 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 2jtq h ARG 32 CO 0.00 0.48 0.20 0.97 -1.51 0.00 0.00 179.97 180.11 2jtq h ILE 33 N 0.07 1.08 0.00 1.20 6.09 -1.38 -0.28 117.51 124.29 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 0.76 0.63 -0.00 0.00 0.47 0.00 0.00 36.82 38.68 2jtq h ILE 33 CO 0.06 0.08 -0.01 0.00 -3.07 0.00 0.00 178.15 175.21 2jtq h ALA 34 N 1.80 1.13 0.01 0.18 0.00 -1.69 0.24 119.26 120.93 2jtq h ALA 34 Ca 0.11 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.64 2jtq h ALA 34 Cb -0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2jtq h ALA 34 CO -0.02 0.01 -2.37 2.41 0.00 0.00 0.00 179.25 179.28 2jtq n THR 35 N -3.29 1.47 0.07 0.00 -1.04 -0.26 -3.81 114.28 107.42 2jtq n THR 35 Ca -0.03 -0.71 -0.14 0.00 -2.04 0.00 0.00 64.05 61.13 2jtq n THR 35 Cb 0.10 -1.01 -0.05 0.00 -1.82 0.00 0.00 70.33 67.55 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 0.34 -1.82 2.41 0.00 -0.60 -3.39 119.26 116.68 2jtq h ALA 36 Ca -0.54 -0.72 -0.50 0.00 0.00 0.00 0.00 54.91 53.15 2jtq h ALA 36 Cb 2.07 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 19.50 2jtq h ALA 36 CO -0.02 0.82 -0.94 0.28 0.00 0.00 0.00 179.25 179.39 2jtq n VAL 37 N -3.73 -0.75 0.28 0.00 0.31 0.78 -4.99 118.33 110.22 2jtq n VAL 37 Ca -0.07 -3.27 0.15 0.00 -0.01 0.00 0.00 64.34 61.14 2jtq n VAL 37 Cb 0.85 -1.22 0.77 0.00 -0.91 0.00 0.00 33.84 33.33 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 4.65 0.00 -6.06 5.55 0.13 -1.69 -3.40 132.00 131.18 2jtq h PRO 38 Ca 0.11 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.74 2jtq h PRO 38 Cb 0.93 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.01 2jtq h PRO 38 CO 0.38 0.08 1.26 0.34 -0.23 0.00 0.00 178.00 179.82 2jtq s ASP 39 N -5.85 5.50 0.31 1.44 2.15 -1.26 -4.86 116.67 114.10 2jtq s ASP 39 Ca -0.02 0.07 0.22 0.00 0.43 0.00 0.00 52.55 53.25 2jtq s ASP 39 Cb 0.12 -2.54 1.15 0.00 -0.30 0.00 0.00 42.92 41.34 2jtq s ASP 39 CO 0.55 -2.25 1.68 0.29 -0.17 0.00 0.00 175.17 175.27 2jtq n LYS 40 N 9.22 0.15 -0.13 4.34 5.02 -1.26 -1.50 118.16 134.00 2jtq n LYS 40 Ca 0.17 0.60 0.11 0.00 -2.02 0.00 0.00 58.31 57.17 2jtq n LYS 40 Cb 0.51 -1.95 0.28 0.00 -0.02 0.00 0.00 35.03 33.85 2jtq n LYS 40 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jtq n ASN 41 N -2.27 2.59 -4.77 4.39 5.15 -1.26 -0.98 115.26 118.11 2jtq n ASN 41 Ca -0.01 -1.86 -0.38 0.00 -0.60 0.00 0.00 54.58 51.73 2jtq n ASN 41 Cb 0.07 -0.17 -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 -1.55 6.19 -1.16 1.20 2.15 -0.56 -4.62 116.67 118.32 2jtq s ASP 42 Ca 0.35 2.37 -0.19 0.00 0.43 0.00 0.00 52.55 55.50 2jtq s ASP 42 Cb 0.20 -2.61 0.08 0.00 -0.30 0.00 0.00 42.92 40.29 2jtq s ASP 42 CO 0.29 -0.91 1.55 -0.89 -0.17 0.00 0.00 175.17 175.05 2jtq s THR 43 N -1.48 4.21 -0.68 1.71 2.01 -0.17 -3.96 115.64 117.28 2jtq s THR 43 Ca 0.62 -1.58 -0.26 0.00 0.31 0.00 0.00 61.69 60.79 2jtq s THR 43 Cb -0.30 -5.08 -0.03 0.00 0.01 0.00 0.00 72.50 67.10 2jtq s THR 43 CO 0.37 -1.91 1.88 -0.69 -0.69 0.00 0.00 174.62 173.58 2jtq s VAL 44 N 4.05 3.38 0.34 3.82 1.01 -1.26 -1.40 120.40 130.34 2jtq s VAL 44 Ca 0.48 0.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.26 2jtq s VAL 44 Cb 0.01 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2jtq s VAL 44 CO -0.01 -0.93 1.23 -0.54 0.00 0.00 0.00 175.10 174.86 2jtq s LYS 45 N 7.03 4.30 -0.05 2.72 -0.14 0.27 -2.81 119.74 131.06 2jtq s LYS 45 Ca 0.68 2.04 0.04 0.00 -1.36 0.00 0.00 55.97 57.37 2jtq s LYS 45 Cb -0.11 -2.97 -0.00 0.00 -1.68 0.00 0.00 37.83 33.06 2jtq s LYS 45 CO 0.16 -0.17 -0.17 0.14 -0.76 0.00 0.00 175.35 174.55 2jtq s VAL 46 N -1.22 1.44 0.13 3.17 -7.23 -1.08 -1.36 120.40 114.25 2jtq s VAL 46 Ca 0.51 -0.72 -0.07 0.00 -1.81 0.00 0.00 61.98 59.89 2jtq s VAL 46 Cb -0.36 -1.24 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 2jtq s VAL 46 CO 0.47 0.42 0.19 -0.72 -0.31 0.00 0.00 175.10 175.14 2jtq s TYR 47 N 0.07 0.41 0.00 2.82 1.13 -1.05 -1.71 117.35 119.02 2jtq s TYR 47 Ca -0.05 -0.81 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 2jtq s TYR 47 Cb -0.12 -0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.58 2jtq s TYR 47 CO 0.02 -0.60 0.00 0.00 -2.51 0.00 0.00 175.55 172.46 2jtq h ASN 49 N 0.00 -0.01 0.00 0.00 -0.73 -1.93 0.17 115.58 113.08 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 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2jtq h ASN 49 CO 0.00 0.24 0.00 0.00 -0.37 0.00 0.00 177.43 177.30 2jtq n ALA 50 N -2.22 0.80 0.00 1.57 0.00 -1.26 -1.98 120.51 117.41 2jtq n ALA 50 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2jtq n ALA 50 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 0.28 0.97 0.21 0.00 0.00 -1.26 -4.22 105.19 101.17 2jtq n GLY 51 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.65 -0.01 1.61 0.11 -1.96 -0.19 114.38 114.59 2jtq h ARG 52 Ca 0.00 -0.10 -0.13 0.00 0.10 0.00 0.00 59.98 59.85 2jtq h ARG 52 Cb 0.00 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 30.95 2jtq h ARG 52 CO 0.00 0.56 -0.61 0.37 0.10 0.00 0.00 179.97 180.39 2jtq h GLN 53 N 0.59 0.04 -0.46 0.08 4.15 -1.95 -2.28 115.11 115.29 2jtq h GLN 53 Ca 0.16 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 2jtq h GLN 53 Cb 0.12 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2jtq h GLN 53 CO -0.02 0.64 0.28 0.77 -1.93 0.00 0.00 178.83 178.57 2jtq h SER 54 N 0.03 0.55 -0.28 -0.69 0.02 -1.68 0.26 113.55 111.76 2jtq h SER 54 Ca -0.01 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2jtq h SER 54 Cb 1.09 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 2jtq h SER 54 CO 0.08 0.43 -0.00 1.23 -1.14 0.00 0.00 176.83 177.43 2jtq h GLY 55 N 0.61 0.54 0.99 -3.77 0.00 -0.80 0.49 103.07 101.14 2jtq h GLY 55 Ca 0.17 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.10 2jtq h GLY 55 CO -0.03 0.37 0.42 1.46 0.00 0.00 0.00 176.54 178.75 2jtq h GLN 56 N 0.29 0.82 -0.50 4.80 1.08 -1.35 -1.22 115.11 119.03 2jtq h GLN 56 Ca 0.08 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2jtq h GLN 56 Cb 0.43 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 2jtq h GLN 56 CO 0.01 0.54 0.32 0.00 -0.95 0.00 0.00 178.83 178.76 2jtq h ALA 57 N 1.24 0.63 -0.89 3.87 0.00 -0.65 0.22 119.26 123.68 2jtq h ALA 57 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2jtq h ALA 57 Cb -0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2jtq h ALA 57 CO -0.06 0.05 0.51 -0.22 0.00 0.00 0.00 179.25 179.53 2jtq h LYS 58 N 0.65 1.22 -0.14 0.00 3.11 -0.44 0.41 116.57 121.38 2jtq h LYS 58 Ca 0.19 -0.13 -0.07 0.00 -2.81 0.00 0.00 60.65 57.83 2jtq h LYS 58 Cb -0.05 -0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 30.94 2jtq h LYS 58 CO -0.06 0.88 -0.18 1.49 -2.81 0.00 0.00 179.45 178.77 2jtq h GLU 59 N 1.23 0.37 -0.38 1.90 4.81 -0.87 -1.03 114.58 120.61 2jtq h GLU 59 Ca 0.32 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2jtq h GLU 59 Cb -0.01 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2jtq h GLU 59 CO -0.05 0.78 0.23 0.82 -0.73 0.00 0.00 179.01 180.06 2jtq h ILE 60 N -0.02 1.05 -0.08 2.32 2.04 -0.69 -0.17 117.51 121.97 2jtq h ILE 60 Ca 0.02 -0.16 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 2jtq h ILE 60 Cb 0.73 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2jtq h ILE 60 CO 0.04 0.09 -0.61 -0.07 0.00 0.00 0.00 178.15 177.60 2jtq h LEU 61 N 0.47 0.32 -0.77 1.44 3.38 -0.90 -0.22 115.31 119.03 2jtq h LEU 61 Ca 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2jtq h LEU 61 Cb -0.01 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2jtq h LEU 61 CO -0.06 0.85 0.40 0.28 0.09 0.00 0.00 178.44 180.00 2jtq h SER 62 N 0.20 0.98 -0.35 -0.43 0.02 -0.84 -0.67 113.55 112.46 2jtq h SER 62 Ca -0.01 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 2jtq h SER 62 Cb 1.13 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 2jtq h SER 62 CO 0.10 0.81 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.47 2jtq h GLU 63 N 1.07 0.75 0.00 3.45 4.81 -0.60 -1.00 114.58 123.06 2jtq h GLU 63 Ca 0.27 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2jtq h GLU 63 Cb 0.07 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2jtq h GLU 63 CO -0.04 0.80 0.00 -1.33 -0.73 0.00 0.00 179.01 177.71 2jtq n MET 64 N -4.20 0.22 -0.42 1.92 2.81 -0.13 -4.88 117.12 112.44 2jtq n MET 64 Ca 0.02 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2jtq n MET 64 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 -0.05 0.77 3.68 3.03 0.00 -0.38 -5.04 105.19 107.20 2jtq n GLY 65 Ca 0.07 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 2.35 -0.90 1.61 1.51 -0.32 -4.90 117.35 114.70 2jtq s TYR 66 Ca 0.00 0.35 0.24 0.00 -1.01 0.00 0.00 57.07 56.65 2jtq s TYR 66 Cb 0.00 -3.91 0.32 0.00 -0.11 0.00 0.00 41.96 38.25 2jtq s TYR 66 CO 0.00 -3.68 1.27 0.25 -1.11 0.00 0.00 175.55 172.28 2jtq n THR 67 N 4.92 0.07 -1.53 -0.71 -2.24 -0.15 -4.36 114.28 110.27 2jtq n THR 67 Ca 0.16 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2jtq n THR 67 Cb 0.42 0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.64 0.00 -1.47 4.78 -0.00 -1.24 -5.00 115.22 110.65 2jtq n HIS 68 Ca 0.04 -0.06 -0.36 0.00 0.46 0.00 0.00 57.72 57.80 2jtq n HIS 68 Cb 0.36 -0.04 0.08 0.00 -0.12 0.00 0.00 29.99 30.27 2jtq n HIS 68 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2jtq n VAL 69 N -0.09 3.36 -3.81 3.57 0.24 -1.25 -3.90 118.33 116.45 2jtq n VAL 69 Ca 0.01 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.77 2jtq n VAL 69 Cb 0.61 -1.18 -0.12 0.00 -1.47 0.00 0.00 33.84 31.68 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 -3.25 0.22 -0.42 7.34 2.12 -1.12 -4.93 118.70 118.66 2jtq s GLU 70 Ca 0.76 0.21 -0.24 0.00 0.36 0.00 0.00 54.97 56.06 2jtq s GLU 70 Cb -0.36 0.11 0.02 0.00 0.26 0.00 0.00 34.13 34.15 2jtq s GLU 70 CO 0.48 -0.03 0.82 1.21 -0.54 0.00 0.00 175.26 177.19 2jtq s ASN 71 N 0.01 6.49 -0.02 -1.70 3.84 -1.26 -2.63 114.94 119.66 2jtq s ASN 71 Ca -0.01 0.13 -0.20 0.00 0.21 0.00 0.00 52.86 52.98 2jtq s ASN 71 Cb -0.02 -2.40 -0.30 0.00 -0.55 0.00 0.00 41.25 37.98 2jtq s ASN 71 CO 0.00 -0.87 0.96 0.00 -2.79 0.00 0.00 177.10 174.40 2jtq h ALA 72 N 8.80 -0.07 0.00 1.71 0.00 -1.70 -3.48 119.26 124.53 2jtq h ALA 72 Ca -0.25 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2jtq h ALA 72 Cb 1.09 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jtq h ALA 72 CO 0.96 0.42 0.00 0.41 0.00 0.00 0.00 179.25 181.04 2jtq n GLY 73 N 1.55 0.50 3.34 0.00 0.00 -1.25 -4.91 105.19 104.41 2jtq n GLY 73 Ca -0.14 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.00 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 1.43 0.48 -0.02 0.00 -1.26 -3.58 107.32 104.37 2jtq s GLY 74 Ca 0.00 -1.38 0.18 0.00 0.00 0.00 0.00 44.72 43.52 2jtq s GLY 74 CO 0.00 -1.38 2.02 -2.00 0.00 0.00 0.00 173.10 171.74 2jtq h LEU 75 N 3.89 0.18 -1.52 0.66 5.85 -0.01 0.02 115.31 124.38 2jtq h LEU 75 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2jtq h LEU 75 Cb 1.18 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2jtq h LEU 75 CO 0.40 0.11 0.00 0.07 -0.34 0.00 0.00 178.44 178.68 2jtq h LYS 76 N 0.20 0.00 0.00 1.25 2.10 -1.77 -3.16 116.57 115.19 2jtq h LYS 76 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2jtq h LYS 76 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2jtq h LYS 76 CO -0.04 0.00 -0.69 -3.47 -2.00 0.00 0.00 179.45 173.25 2jtq n ASP 77 N -2.44 3.47 -4.73 7.07 2.03 -0.11 -5.04 116.55 116.80 2jtq n ASP 77 Ca -0.01 -0.04 -0.42 0.00 0.52 0.00 0.00 54.79 54.85 2jtq n ASP 77 Cb 0.10 0.77 -0.03 0.00 -0.72 0.00 0.00 41.12 41.24 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 -1.46 2.74 -0.24 5.18 1.01 -0.58 -4.93 121.20 122.93 2jtq s ILE 78 Ca 0.00 0.59 0.13 0.00 0.00 0.00 0.00 60.65 61.37 2jtq s ILE 78 Cb 0.00 -3.37 0.59 0.00 0.01 0.00 0.00 42.46 39.68 2jtq s ILE 78 CO 0.00 0.07 1.54 0.00 0.00 0.00 0.00 174.94 176.55 2jtq n ALA 79 N 2.98 3.69 -1.61 9.38 0.00 -1.26 -4.94 120.51 128.75 2jtq n ALA 79 Ca 0.09 -2.49 -0.32 0.00 0.00 0.00 0.00 53.44 50.72 2jtq n ALA 79 Cb 0.40 -0.86 0.03 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.96 3.13 0.46 0.00 -1.94 -1.26 -5.02 119.30 111.70 2jtq s MET 80 Ca 0.46 1.21 -0.23 0.00 -1.71 0.00 0.00 55.69 55.42 2jtq s MET 80 Cb 0.38 -2.01 -0.10 0.00 2.01 0.00 0.00 34.83 35.12 2jtq s MET 80 CO 0.08 -0.97 0.91 -2.30 -0.01 0.00 0.00 175.02 172.73 2jtq n PRO 81 N -2.30 1.12 -4.10 2.03 -0.02 -1.26 -4.90 135.00 125.56 2jtq n PRO 81 Ca 0.09 0.41 -0.23 0.00 -2.02 0.00 0.00 63.50 61.75 2jtq n PRO 81 Cb 0.53 -1.97 -0.06 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 -2.09 2.44 -0.00 -0.52 -0.14 -1.26 -1.24 119.74 116.93 2jtq s LYS 82 Ca 0.66 -1.46 0.04 0.00 -1.36 0.00 0.00 55.97 53.85 2jtq s LYS 82 Cb -0.53 -2.24 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 2jtq s LYS 82 CO 0.55 0.18 -0.12 0.08 -0.76 0.00 0.00 175.35 175.28 2jtq s VAL 83 N -2.37 0.92 0.12 3.17 1.01 -0.13 -4.64 120.40 118.48 2jtq s VAL 83 Ca 0.36 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.87 2jtq s VAL 83 Cb -0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2jtq s VAL 83 CO 0.23 0.23 -0.18 -0.54 0.00 0.00 0.00 175.10 174.83 2jtq s LYS 84 N -0.36 1.09 0.00 2.72 1.02 -1.26 -1.34 119.74 121.61 2jtq s LYS 84 Ca 0.04 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.83 2jtq s LYS 84 Cb -0.05 -1.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.06 2jtq s LYS 84 CO -0.00 0.26 0.00 0.41 -0.92 0.00 0.00 175.35 175.10