#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 0.64 0.14 0.00 2.12 -1.26 -1.01 118.70 119.33 2jtq s GLU 2 Ca 0.00 0.05 -0.05 0.00 0.36 0.00 0.00 54.97 55.33 2jtq s GLU 2 Cb 0.00 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 2jtq s GLU 2 CO 0.00 -0.16 0.16 -1.01 -0.54 0.00 0.00 175.26 173.71 2jtq s HIS 3 N -0.89 0.63 -0.07 5.30 3.76 -0.39 -4.87 115.29 118.75 2jtq s HIS 3 Ca -0.10 -1.01 -0.00 0.00 -0.15 0.00 0.00 55.06 53.81 2jtq s HIS 3 Cb -0.04 -0.28 0.02 0.00 1.11 0.00 0.00 32.58 33.39 2jtq s HIS 3 CO 0.04 -0.60 -0.03 -1.58 -0.85 0.00 0.00 174.74 171.71 2jtq s TRP 4 N -4.00 0.89 -0.19 1.40 0.52 -1.26 -0.72 118.94 115.57 2jtq s TRP 4 Ca 0.20 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.02 2jtq s TRP 4 Cb 0.06 -0.85 0.03 0.00 -1.15 0.00 0.00 33.47 31.56 2jtq s TRP 4 CO 0.00 -0.32 -0.15 0.42 0.02 0.00 0.00 176.95 176.93 2jtq s ILE 5 N 1.53 1.89 0.08 2.03 1.09 -0.39 -1.29 121.20 126.13 2jtq s ILE 5 Ca -0.01 -1.04 -0.31 0.00 -1.10 0.00 0.00 60.65 58.20 2jtq s ILE 5 Cb -0.13 -1.83 -0.07 0.00 -1.06 0.00 0.00 42.46 39.37 2jtq s ILE 5 CO -0.04 0.32 1.33 -0.62 -0.10 0.00 0.00 174.94 175.84 2jtq s ASP 6 N 1.32 6.90 0.00 3.58 2.15 0.34 -2.67 116.67 128.29 2jtq s ASP 6 Ca 0.01 2.20 0.06 0.00 0.43 0.00 0.00 52.55 55.24 2jtq s ASP 6 Cb -0.15 -2.58 0.11 0.00 -0.30 0.00 0.00 42.92 40.00 2jtq s ASP 6 CO -0.10 -0.61 0.93 1.33 -0.17 0.00 0.00 175.17 176.55 2jtq n VAL 7 N 4.07 0.55 -1.28 1.11 0.24 0.48 -0.98 118.33 122.51 2jtq n VAL 7 Ca 0.11 -0.77 -0.29 0.00 -2.04 0.00 0.00 64.34 61.35 2jtq n VAL 7 Cb 0.44 0.78 0.18 0.00 -1.47 0.00 0.00 33.84 33.77 2jtq n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jtq s ARG 8 N -0.77 0.35 0.35 7.34 1.70 -1.26 -2.23 118.95 124.43 2jtq s ARG 8 Ca 0.10 0.33 -0.28 0.00 -0.47 0.00 0.00 55.73 55.41 2jtq s ARG 8 Cb 0.06 -1.74 -0.12 0.00 -0.57 0.00 0.00 34.95 32.57 2jtq s ARG 8 CO 0.08 -2.74 1.38 1.33 -1.08 0.00 0.00 175.30 174.27 2jtq n VAL 9 N -4.15 1.91 0.25 4.99 0.24 -1.26 -4.36 118.33 115.95 2jtq n VAL 9 Ca 0.07 -0.48 0.11 0.00 -2.04 0.00 0.00 64.34 62.00 2jtq n VAL 9 Cb 0.58 -1.72 0.63 0.00 -1.47 0.00 0.00 33.84 31.86 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 2.85 0.00 0.00 7.34 0.13 -1.98 -2.46 132.00 137.89 2jtq h PRO 10 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jtq h PRO 10 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2jtq h PRO 10 CO 0.64 0.17 -0.02 0.93 -0.23 0.00 0.00 178.00 179.49 2jtq h GLU 11 N 0.00 0.00 0.07 0.86 3.07 -1.99 -0.70 114.58 115.89 2jtq h GLU 11 Ca -0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 2jtq h GLU 11 Cb 0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 2jtq h GLU 11 CO 0.02 0.02 -1.45 1.96 -1.40 0.00 0.00 179.01 178.17 2jtq h GLN 12 N 0.00 0.16 -0.88 2.33 4.20 -1.81 -3.28 115.11 115.83 2jtq h GLN 12 Ca -0.00 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.46 2jtq h GLN 12 Cb 0.05 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 2jtq h GLN 12 CO 0.00 0.99 0.58 -0.92 -0.67 0.00 0.00 178.83 178.81 2jtq h TYR 13 N 0.04 1.08 0.00 2.96 3.20 -1.31 -0.60 116.97 122.36 2jtq h TYR 13 Ca -0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.70 2jtq h TYR 13 Cb 1.96 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.87 2jtq h TYR 13 CO 0.04 0.66 0.00 1.96 -1.64 0.00 0.00 178.16 179.18 2jtq h GLN 14 N 1.15 0.00 0.02 1.82 1.08 -1.23 -3.11 115.11 114.84 2jtq h GLN 14 Ca 0.33 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 57.14 2jtq h GLN 14 Cb -0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.29 2jtq h GLN 14 CO -0.08 0.00 -2.23 1.04 -0.95 0.00 0.00 178.83 176.61 2jtq n GLN 15 N -3.07 0.63 -3.63 1.46 6.02 -0.36 -0.96 117.38 117.46 2jtq n GLN 15 Ca -0.02 0.28 -0.14 0.00 -0.01 0.00 0.00 57.00 57.11 2jtq n GLN 15 Cb 0.11 -1.58 -0.07 0.00 1.02 0.00 0.00 30.24 29.72 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 -2.50 0.82 0.16 -1.09 2.12 -0.42 -4.20 118.70 113.59 2jtq s GLU 16 Ca -0.33 0.98 -0.11 0.00 0.36 0.00 0.00 54.97 55.87 2jtq s GLU 16 Cb 0.10 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.89 2jtq s GLU 16 CO 0.59 -0.10 0.33 -3.38 -0.54 0.00 0.00 175.26 172.16 2jtq s HIS 17 N 0.39 0.25 0.38 5.30 -3.43 -0.02 -4.18 115.29 113.97 2jtq s HIS 17 Ca 0.00 -0.61 -0.27 0.00 -0.80 0.00 0.00 55.06 53.38 2jtq s HIS 17 Cb -0.05 0.04 -0.09 0.00 -1.43 0.00 0.00 32.58 31.05 2jtq s HIS 17 CO 0.00 -0.74 1.23 0.08 -2.00 0.00 0.00 174.74 173.32 2jtq s VAL 18 N -3.93 2.92 0.52 -5.38 1.01 -1.26 -0.85 120.40 113.43 2jtq s VAL 18 Ca 0.14 0.83 0.19 0.00 0.00 0.00 0.00 61.98 63.14 2jtq s VAL 18 Cb 0.03 -3.49 0.28 0.00 0.00 0.00 0.00 36.38 33.19 2jtq s VAL 18 CO -0.02 0.13 2.15 1.56 0.00 0.00 0.00 175.10 178.92 2jtq h GLN 19 N 2.91 0.00 -0.90 2.72 4.20 -1.48 -3.08 115.11 119.49 2jtq h GLN 19 Ca -0.49 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 57.61 2jtq h GLN 19 Cb 1.23 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 28.65 2jtq h GLN 19 CO 0.63 0.03 0.01 0.41 -0.67 0.00 0.00 178.83 179.24 2jtq n GLY 20 N -1.39 6.14 3.23 3.46 0.00 -1.26 -5.00 105.19 110.37 2jtq n GLY 20 Ca -0.03 -2.50 -0.13 0.00 0.00 0.00 0.00 46.02 43.36 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 -3.71 1.25 0.37 4.61 0.00 -1.16 -4.39 121.76 118.71 2jtq s ALA 21 Ca 0.58 -1.74 0.08 0.00 0.00 0.00 0.00 51.96 50.88 2jtq s ALA 21 Cb 0.46 1.39 -0.07 0.00 0.00 0.00 0.00 23.12 24.91 2jtq s ALA 21 CO 0.01 -0.61 -0.01 0.42 0.00 0.00 0.00 175.76 175.56 2jtq s ILE 22 N -4.02 2.28 -0.12 0.00 1.01 -0.42 -4.95 121.20 114.98 2jtq s ILE 22 Ca 0.39 -2.04 0.03 0.00 0.00 0.00 0.00 60.65 59.02 2jtq s ILE 22 Cb 0.06 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.72 2jtq s ILE 22 CO 0.15 -0.13 -0.21 0.21 0.00 0.00 0.00 174.94 174.96 2jtq s ASN 23 N -3.69 2.90 -0.21 3.58 3.84 -1.26 -0.51 114.94 119.59 2jtq s ASN 23 Ca 0.35 -0.54 -0.04 0.00 0.21 0.00 0.00 52.86 52.83 2jtq s ASN 23 Cb 0.04 -1.33 0.08 0.00 -0.55 0.00 0.00 41.25 39.49 2jtq s ASN 23 CO 0.18 0.09 0.15 -0.63 -2.79 0.00 0.00 177.10 174.10 2jtq s ILE 24 N 0.68 -0.18 0.73 -5.21 1.01 -0.15 -4.94 121.20 113.14 2jtq s ILE 24 Ca -0.11 -0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 2jtq s ILE 24 Cb -0.16 -0.71 0.04 0.00 0.01 0.00 0.00 42.46 41.64 2jtq s ILE 24 CO 0.02 -0.36 1.19 -2.16 0.00 0.00 0.00 174.94 173.64 2jtq s PRO 25 N 2.20 2.16 0.32 2.79 0.04 -1.26 -4.07 135.00 137.18 2jtq s PRO 25 Ca 0.05 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.86 2jtq s PRO 25 Cb -0.16 -1.84 0.73 0.00 0.04 0.00 0.00 34.50 33.27 2jtq s PRO 25 CO -0.17 -1.81 1.82 1.25 0.04 0.00 0.00 177.00 178.13 2jtq h LEU 26 N -0.33 0.77 -1.94 -3.56 5.85 -1.73 0.17 115.31 114.54 2jtq h LEU 26 Ca -0.47 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2jtq h LEU 26 Cb 1.29 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 2jtq h LEU 26 CO 0.50 0.34 0.06 0.07 -0.34 0.00 0.00 178.44 179.07 2jtq h LYS 27 N 0.79 0.08 0.07 1.25 2.10 -1.89 -2.98 116.57 115.99 2jtq h LYS 27 Ca 0.53 -0.01 -0.33 0.00 -2.00 0.00 0.00 60.65 58.84 2jtq h LYS 27 Cb 0.78 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.06 2jtq h LYS 27 CO -0.30 0.06 -1.83 0.39 -2.00 0.00 0.00 179.45 175.77 2jtq n GLU 28 N -4.52 0.68 -0.15 0.07 1.02 0.42 -4.51 120.64 113.64 2jtq n GLU 28 Ca -0.01 0.36 0.11 0.00 -0.02 0.00 0.00 57.16 57.59 2jtq n GLU 28 Cb 0.11 -1.70 0.44 0.00 -0.02 0.00 0.00 31.44 30.27 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 -0.34 0.91 0.00 2.62 3.04 -0.95 0.24 116.25 121.78 2jtq h VAL 29 Ca -0.43 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2jtq h VAL 29 Cb 1.77 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2jtq h VAL 29 CO -0.05 0.10 0.04 0.50 -1.01 0.00 0.00 177.57 177.15 2jtq h LYS 30 N 0.56 0.00 0.00 4.17 3.64 -1.77 0.18 116.57 123.34 2jtq h LYS 30 Ca 0.33 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 2jtq h LYS 30 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2jtq h LYS 30 CO -0.11 0.00 -1.33 -1.91 -2.27 0.00 0.00 179.45 173.84 2jtq n GLU 31 N -2.59 0.13 0.26 1.90 2.13 -0.10 -4.82 120.64 117.55 2jtq n GLU 31 Ca -0.02 0.05 0.14 0.00 0.66 0.00 0.00 57.16 57.99 2jtq n GLU 31 Cb 0.09 -0.82 0.66 0.00 0.27 0.00 0.00 31.44 31.65 2jtq n GLU 31 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2jtq h ARG 32 N -0.16 0.00 -0.44 5.31 2.43 -0.42 -1.33 114.38 119.78 2jtq h ARG 32 Ca -0.14 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 2jtq h ARG 32 Cb 1.15 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 2jtq h ARG 32 CO -0.07 0.10 0.23 0.97 -1.51 0.00 0.00 179.97 179.69 2jtq h ILE 33 N 0.00 1.14 0.00 1.20 6.09 -1.17 -1.46 117.51 123.31 2jtq h ILE 33 Ca -0.00 -0.37 -0.02 0.00 -1.37 0.00 0.00 64.86 63.10 2jtq h ILE 33 Cb 0.51 0.56 -0.00 0.00 0.47 0.00 0.00 36.82 38.36 2jtq h ILE 33 CO 0.01 0.16 -0.09 0.00 -3.07 0.00 0.00 178.15 175.16 2jtq h ALA 34 N 1.65 1.49 0.00 0.18 0.00 -1.46 0.24 119.26 121.36 2jtq h ALA 34 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jtq h ALA 34 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jtq h ALA 34 CO -0.02 0.11 0.00 2.41 0.00 0.00 0.00 179.25 181.75 2jtq n THR 35 N -3.91 0.70 0.00 0.00 -1.04 -0.55 -3.75 114.28 105.73 2jtq n THR 35 Ca -0.02 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2jtq n THR 35 Cb 0.18 -0.91 0.00 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 n ALA 36 N -1.71 1.46 -2.81 2.41 0.00 -0.24 -4.91 120.51 114.71 2jtq n ALA 36 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2jtq n ALA 36 Cb 0.29 0.07 0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.21 1.09 0.43 0.00 0.31 0.69 -4.95 118.33 114.68 2jtq n VAL 37 Ca 0.00 -2.69 0.05 0.00 -0.01 0.00 0.00 64.34 61.69 2jtq n VAL 37 Cb 0.15 1.22 0.24 0.00 -0.91 0.00 0.00 33.84 34.55 2jtq n VAL 37 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jtq n PRO 38 N -0.68 0.08 0.23 5.55 -0.04 -1.25 -1.78 135.00 137.13 2jtq n PRO 38 Ca 0.04 0.25 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 2jtq n PRO 38 Cb 0.81 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 33.55 2jtq n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2jtq h ASP 39 N 0.00 0.00 0.00 3.54 3.58 -1.92 -3.47 116.42 118.15 2jtq h ASP 39 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jtq h ASP 39 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2jtq h ASP 39 CO 0.00 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.65 2jtq n LYS 40 N -4.12 0.00 -0.07 0.28 5.02 -0.73 -4.68 118.16 113.85 2jtq n LYS 40 Ca -0.01 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.35 2jtq n LYS 40 Cb 0.19 -3.62 0.10 0.00 -0.02 0.00 0.00 35.03 31.69 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 0.00 2.50 -4.76 4.39 5.15 -1.26 -1.09 115.26 120.19 2jtq n ASN 41 Ca 0.00 -1.72 -0.38 0.00 -0.60 0.00 0.00 54.58 51.88 2jtq n ASN 41 Cb 0.00 -0.10 0.02 0.00 -0.53 0.00 0.00 39.78 39.17 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 -1.12 5.69 -1.18 1.20 2.15 -1.26 -4.65 116.67 117.50 2jtq s ASP 42 Ca 0.21 2.53 -0.21 0.00 0.43 0.00 0.00 52.55 55.51 2jtq s ASP 42 Cb 0.13 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2jtq s ASP 42 CO 0.18 -1.26 1.79 -0.89 -0.17 0.00 0.00 175.17 174.82 2jtq s THR 43 N -1.43 3.82 -0.60 1.71 2.01 -0.18 -4.38 115.64 116.60 2jtq s THR 43 Ca 0.68 -1.26 -0.28 0.00 0.31 0.00 0.00 61.69 61.14 2jtq s THR 43 Cb -0.34 -4.84 0.02 0.00 0.01 0.00 0.00 72.50 67.34 2jtq s THR 43 CO 0.41 -1.55 1.36 -0.69 -0.69 0.00 0.00 174.62 173.46 2jtq s VAL 44 N 7.30 3.81 0.25 3.82 1.01 -1.23 -1.26 120.40 134.10 2jtq s VAL 44 Ca 0.60 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 62.95 2jtq s VAL 44 Cb 0.01 -4.57 -0.09 0.00 0.00 0.00 0.00 36.38 31.73 2jtq s VAL 44 CO 0.06 -1.31 0.93 -0.54 0.00 0.00 0.00 175.10 174.24 2jtq s LYS 45 N 5.48 4.77 -0.04 2.72 1.02 0.10 -1.48 119.74 132.31 2jtq s LYS 45 Ca 0.48 1.42 0.05 0.00 0.02 0.00 0.00 55.97 57.94 2jtq s LYS 45 Cb -0.10 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 2jtq s LYS 45 CO 0.23 0.46 -0.20 0.14 -0.92 0.00 0.00 175.35 175.07 2jtq s VAL 46 N -1.29 1.61 0.17 3.17 -7.23 -0.72 -1.27 120.40 114.85 2jtq s VAL 46 Ca 0.43 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.71 2jtq s VAL 46 Cb -0.24 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 2jtq s VAL 46 CO 0.30 0.46 0.22 -0.72 -0.31 0.00 0.00 175.10 175.04 2jtq s TYR 47 N -0.10 0.67 0.00 2.82 1.13 -1.09 -0.55 117.35 120.23 2jtq s TYR 47 Ca -0.02 -1.01 0.00 0.00 -1.41 0.00 0.00 57.07 54.64 2jtq s TYR 47 Cb -0.11 -0.24 0.00 0.00 -1.10 0.00 0.00 41.96 40.51 2jtq s TYR 47 CO 0.02 -0.68 0.00 0.00 -2.51 0.00 0.00 175.55 172.38 2jtq h ASN 49 N 0.00 1.00 0.00 0.00 -0.73 -1.93 0.55 115.58 114.46 2jtq h ASN 49 Ca 0.00 -0.32 0.00 0.00 1.87 0.00 0.00 56.30 57.85 2jtq h ASN 49 Cb 0.00 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.32 2jtq h ASN 49 CO 0.00 1.10 0.00 0.00 -0.37 0.00 0.00 177.43 178.16 2jtq n ALA 50 N -2.50 1.72 0.00 1.57 0.00 -1.26 -3.67 120.51 116.37 2jtq n ALA 50 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2jtq n ALA 50 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 0.94 0.58 0.51 0.00 0.00 -1.20 -2.84 105.19 103.17 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 -0.96 0.00 1.61 2.43 -1.98 0.41 114.38 115.88 2jtq h ARG 52 Ca 0.00 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2jtq h ARG 52 Cb 0.00 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2jtq h ARG 52 CO 0.00 -0.64 0.00 -0.56 -1.51 0.00 0.00 179.97 177.26 2jtq h GLN 53 N -1.00 0.00 -0.68 0.20 3.07 -1.96 -2.29 115.11 112.44 2jtq h GLN 53 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.62 2jtq h GLN 53 Cb 0.88 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.41 2jtq h GLN 53 CO -0.08 0.00 0.20 0.77 0.09 0.00 0.00 178.83 179.81 2jtq h SER 54 N 0.00 0.99 -0.02 0.06 0.02 -1.69 0.33 113.55 113.25 2jtq h SER 54 Ca 0.00 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2jtq h SER 54 Cb 0.73 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2jtq h SER 54 CO 0.00 0.93 0.01 1.23 -1.14 0.00 0.00 176.83 177.85 2jtq h GLY 55 N 1.08 0.02 0.81 -3.77 0.00 -0.36 0.26 103.07 101.10 2jtq h GLY 55 Ca 0.22 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.58 2jtq h GLY 55 CO -0.01 0.01 0.49 1.46 0.00 0.00 0.00 176.54 178.50 2jtq h GLN 56 N -0.16 0.91 -0.70 4.80 1.08 -1.42 -1.24 115.11 118.38 2jtq h GLN 56 Ca 0.00 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2jtq h GLN 56 Cb 0.19 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2jtq h GLN 56 CO -0.00 0.60 0.46 0.00 -0.95 0.00 0.00 178.83 178.94 2jtq h ALA 57 N 1.35 0.89 -0.57 3.87 0.00 -0.64 0.32 119.26 124.49 2jtq h ALA 57 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2jtq h ALA 57 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2jtq h ALA 57 CO -0.14 0.29 0.37 -0.22 0.00 0.00 0.00 179.25 179.56 2jtq h LYS 58 N 0.93 0.76 -0.17 0.00 3.64 -0.02 -0.40 116.57 121.30 2jtq h LYS 58 Ca 0.26 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2jtq h LYS 58 Cb -0.09 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 2jtq h LYS 58 CO -0.06 0.51 0.03 0.93 -2.27 0.00 0.00 179.45 178.58 2jtq h GLU 59 N 0.77 0.28 0.09 1.90 5.08 -0.75 -1.30 114.58 120.66 2jtq h GLU 59 Ca 0.21 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2jtq h GLU 59 Cb -0.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2jtq h GLU 59 CO -0.04 0.45 -0.04 0.82 -1.00 0.00 0.00 179.01 179.19 2jtq h ILE 60 N 0.07 0.92 -0.15 3.13 2.04 -0.78 -0.39 117.51 122.34 2jtq h ILE 60 Ca 0.05 -0.03 -0.12 0.00 1.00 0.00 0.00 64.86 65.76 2jtq h ILE 60 Cb 0.31 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2jtq h ILE 60 CO 0.00 0.01 -0.43 -0.07 0.00 0.00 0.00 178.15 177.66 2jtq h LEU 61 N -0.14 0.38 -0.71 1.44 3.38 -1.04 -0.83 115.31 117.79 2jtq h LEU 61 Ca -0.01 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2jtq h LEU 61 Cb 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2jtq h LEU 61 CO 0.02 0.76 0.12 0.28 0.09 0.00 0.00 178.44 179.72 2jtq h SER 62 N 0.29 1.06 -0.31 -0.43 0.02 -1.02 -1.56 113.55 111.60 2jtq h SER 62 Ca 0.02 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.66 2jtq h SER 62 Cb 0.88 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2jtq h SER 62 CO 0.07 1.04 -0.03 -0.08 -1.14 0.00 0.00 176.83 176.69 2jtq h GLU 63 N 1.04 0.68 0.00 3.45 4.57 -0.57 -0.76 114.58 122.98 2jtq h GLU 63 Ca 0.21 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2jtq h GLU 63 Cb 0.42 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2jtq h GLU 63 CO 0.01 0.72 0.00 -1.33 -1.18 0.00 0.00 179.01 177.23 2jtq n MET 64 N -4.22 0.45 -0.86 1.92 2.81 -0.36 -4.87 117.12 111.98 2jtq n MET 64 Ca 0.02 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2jtq n MET 64 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 0.00 0.49 3.67 3.03 0.00 -0.29 -5.01 105.19 107.07 2jtq n GLY 65 Ca 0.11 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 2.58 -1.01 1.61 1.51 -0.62 -4.92 117.35 114.50 2jtq s TYR 66 Ca 0.00 0.71 0.26 0.00 -1.01 0.00 0.00 57.07 57.03 2jtq s TYR 66 Cb 0.00 -3.67 0.65 0.00 -0.11 0.00 0.00 41.96 38.83 2jtq s TYR 66 CO 0.00 -2.55 1.51 0.25 -1.11 0.00 0.00 175.55 173.65 2jtq n THR 67 N 5.21 0.00 -1.91 -0.71 -2.24 -0.25 -4.24 114.28 110.14 2jtq n THR 67 Ca 0.15 -0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.96 2jtq n THR 67 Cb 0.44 0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.49 0.00 -1.80 4.78 -0.00 -1.25 -5.02 115.22 110.44 2jtq n HIS 68 Ca 0.06 -0.43 -0.39 0.00 0.46 0.00 0.00 57.72 57.42 2jtq n HIS 68 Cb 0.34 -0.11 0.03 0.00 -0.12 0.00 0.00 29.99 30.13 2jtq n HIS 68 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2jtq s VAL 69 N -0.80 2.10 0.02 3.57 1.01 -1.26 -3.54 120.40 121.49 2jtq s VAL 69 Ca 0.17 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2jtq s VAL 69 Cb 0.17 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 2jtq s VAL 69 CO -0.04 0.00 -0.03 -0.70 0.00 0.00 0.00 175.10 174.34 2jtq s GLU 70 N -2.74 0.27 0.02 2.72 2.56 -0.55 -4.92 118.70 116.06 2jtq s GLU 70 Ca 0.68 -0.52 -0.21 0.00 0.00 0.00 0.00 54.97 54.92 2jtq s GLU 70 Cb -0.41 0.08 -0.06 0.00 2.00 0.00 0.00 34.13 35.74 2jtq s GLU 70 CO 0.51 -0.04 0.62 1.21 -0.56 0.00 0.00 175.26 176.99 2jtq s ASN 71 N -1.24 7.03 -0.08 -1.70 3.84 -1.26 -1.76 114.94 119.77 2jtq s ASN 71 Ca -0.13 1.23 0.12 0.00 0.21 0.00 0.00 52.86 54.29 2jtq s ASN 71 Cb -0.08 -2.38 0.19 0.00 -0.55 0.00 0.00 41.25 38.43 2jtq s ASN 71 CO -0.01 0.13 1.10 0.00 -2.79 0.00 0.00 177.10 175.53 2jtq n ALA 72 N 2.52 2.18 -0.48 1.71 0.00 0.29 -4.86 120.51 121.88 2jtq n ALA 72 Ca -0.07 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.31 2jtq n ALA 72 Cb 0.51 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2jtq n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtq n GLY 73 N -0.92 2.84 3.35 0.00 0.00 -1.25 -4.76 105.19 104.45 2jtq n GLY 73 Ca 0.10 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.09 0.25 -0.02 0.00 -1.13 -2.24 107.32 104.08 2jtq s GLY 74 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.39 2jtq s GLY 74 CO 0.00 -0.42 1.63 -2.00 0.00 0.00 0.00 173.10 172.31 2jtq h LEU 75 N 2.39 -0.40 -2.23 0.66 7.12 -0.95 -0.71 115.31 121.19 2jtq h LEU 75 Ca -0.32 0.21 0.00 0.00 0.13 0.00 0.00 57.88 57.89 2jtq h LEU 75 Cb 1.25 0.37 0.00 0.00 -0.53 0.00 0.00 40.66 41.75 2jtq h LEU 75 CO 0.46 -0.20 0.00 0.07 -0.13 0.00 0.00 178.44 178.64 2jtq h LYS 76 N 0.09 0.00 0.00 1.25 2.10 -1.85 -2.99 116.57 115.17 2jtq h LYS 76 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 2jtq h LYS 76 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 2jtq h LYS 76 CO -0.70 0.00 -1.81 -3.47 -2.00 0.00 0.00 179.45 171.47 2jtq n ASP 77 N -2.94 0.86 -4.68 7.07 2.03 -0.28 -4.96 116.55 113.64 2jtq n ASP 77 Ca -0.01 -0.02 -0.42 0.00 0.52 0.00 0.00 54.79 54.86 2jtq n ASP 77 Cb 0.15 1.81 -0.03 0.00 -0.72 0.00 0.00 41.12 42.33 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 -3.25 3.58 -0.75 5.18 1.01 -1.13 -4.90 121.20 120.94 2jtq s ILE 78 Ca -0.06 0.95 -0.07 0.00 0.00 0.00 0.00 60.65 61.46 2jtq s ILE 78 Cb 0.12 -3.61 -0.13 0.00 0.01 0.00 0.00 42.46 38.84 2jtq s ILE 78 CO 0.75 -0.01 3.18 0.00 0.00 0.00 0.00 174.94 178.86 2jtq n ALA 79 N 5.63 6.86 -2.55 9.38 0.00 -1.26 -4.84 120.51 133.73 2jtq n ALA 79 Ca 0.14 -2.78 -0.12 0.00 0.00 0.00 0.00 53.44 50.68 2jtq n ALA 79 Cb 0.43 -2.72 -0.11 0.00 0.00 0.00 0.00 19.45 17.05 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 0.92 0.66 0.74 0.00 -1.94 -1.26 -5.16 119.30 113.25 2jtq s MET 80 Ca 0.66 -1.01 -0.12 0.00 -1.71 0.00 0.00 55.69 53.50 2jtq s MET 80 Cb 0.26 -0.24 0.04 0.00 2.01 0.00 0.00 34.83 36.90 2jtq s MET 80 CO -0.05 0.02 1.10 -1.25 -0.01 0.00 0.00 175.02 174.83 2jtq s PRO 81 N -2.59 2.39 0.26 2.03 0.04 -1.26 -4.90 135.00 130.96 2jtq s PRO 81 Ca -0.00 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.34 2jtq s PRO 81 Cb -0.03 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2jtq s PRO 81 CO -0.02 -1.55 0.08 0.15 0.04 0.00 0.00 177.00 175.69 2jtq s LYS 82 N -4.56 1.41 -0.03 4.56 1.02 -1.26 -1.30 119.74 119.57 2jtq s LYS 82 Ca 0.64 -1.76 -0.22 0.00 0.02 0.00 0.00 55.97 54.66 2jtq s LYS 82 Cb -0.19 -0.37 0.04 0.00 -0.52 0.00 0.00 37.83 36.80 2jtq s LYS 82 CO 0.50 -0.25 0.48 0.14 -0.92 0.00 0.00 175.35 175.30 2jtq s VAL 83 N -3.66 0.03 0.94 3.17 -7.23 -0.03 -4.73 120.40 108.90 2jtq s VAL 83 Ca 0.36 -0.26 -0.14 0.00 -1.81 0.00 0.00 61.98 60.14 2jtq s VAL 83 Cb 0.08 -0.78 0.16 0.00 0.56 0.00 0.00 36.38 36.39 2jtq s VAL 83 CO 0.13 -0.14 1.16 -1.59 -0.31 0.00 0.00 175.10 174.35 2jtq s LYS 84 N -1.23 0.86 0.00 4.82 0.00 -1.26 -0.84 119.74 122.09 2jtq s LYS 84 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 55.97 55.99 2jtq s LYS 84 Cb -0.03 -1.82 0.00 0.00 0.00 0.00 0.00 37.83 35.98 2jtq s LYS 84 CO 0.07 -2.36 0.21 0.41 0.00 0.00 0.00 175.35 173.67