#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 0.79 0.11 0.00 2.12 -1.26 -0.89 118.70 119.57 2jtq s GLU 2 Ca 0.00 0.17 -0.05 0.00 0.36 0.00 0.00 54.97 55.45 2jtq s GLU 2 Cb 0.00 0.37 -0.02 0.00 0.26 0.00 0.00 34.13 34.74 2jtq s GLU 2 CO 0.00 -0.21 0.13 -1.01 -0.54 0.00 0.00 175.26 173.63 2jtq s HIS 3 N -0.92 0.44 -0.15 5.30 3.76 -0.48 -4.88 115.29 118.36 2jtq s HIS 3 Ca -0.10 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 53.95 2jtq s HIS 3 Cb -0.03 -0.22 0.02 0.00 1.11 0.00 0.00 32.58 33.46 2jtq s HIS 3 CO 0.06 -0.54 -0.15 -1.58 -0.85 0.00 0.00 174.74 171.68 2jtq s TRP 4 N -3.94 2.22 -0.21 1.40 0.52 -1.26 -0.79 118.94 116.89 2jtq s TRP 4 Ca 0.12 -1.26 0.02 0.00 0.02 0.00 0.00 56.10 55.00 2jtq s TRP 4 Cb 0.06 -1.63 0.04 0.00 -1.15 0.00 0.00 33.47 30.79 2jtq s TRP 4 CO -0.06 -0.68 -0.14 0.42 0.02 0.00 0.00 176.95 176.51 2jtq s ILE 5 N 1.47 1.96 -0.23 2.03 1.09 -0.65 -1.13 121.20 125.73 2jtq s ILE 5 Ca 0.05 -1.18 -0.29 0.00 -1.10 0.00 0.00 60.65 58.13 2jtq s ILE 5 Cb -0.13 -1.94 -0.02 0.00 -1.06 0.00 0.00 42.46 39.31 2jtq s ILE 5 CO -0.11 0.24 1.57 -0.62 -0.10 0.00 0.00 174.94 175.93 2jtq s ASP 6 N 1.27 6.42 0.00 3.58 2.15 0.13 -2.89 116.67 127.32 2jtq s ASP 6 Ca -0.01 1.57 0.26 0.00 0.43 0.00 0.00 52.55 54.79 2jtq s ASP 6 Cb -0.16 -2.53 0.62 0.00 -0.30 0.00 0.00 42.92 40.54 2jtq s ASP 6 CO -0.09 -1.23 1.50 1.33 -0.17 0.00 0.00 175.17 176.51 2jtq n VAL 7 N 6.37 0.03 -0.76 1.11 0.24 -0.03 -1.53 118.33 123.77 2jtq n VAL 7 Ca 0.18 -0.39 -0.29 0.00 -2.04 0.00 0.00 64.34 61.80 2jtq n VAL 7 Cb 0.45 0.97 0.20 0.00 -1.47 0.00 0.00 33.84 34.00 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 -1.97 0.09 0.47 7.34 3.52 -1.25 -1.46 118.95 125.69 2jtq s ARG 8 Ca 0.33 1.00 -0.25 0.00 -0.13 0.00 0.00 55.73 56.69 2jtq s ARG 8 Cb 0.20 -1.66 -0.08 0.00 -1.56 0.00 0.00 34.95 31.86 2jtq s ARG 8 CO 0.32 -3.09 1.41 1.33 -0.81 0.00 0.00 175.30 174.46 2jtq n VAL 9 N -4.49 3.00 0.31 7.11 0.24 -1.26 -4.21 118.33 119.02 2jtq n VAL 9 Ca 0.06 -0.50 0.15 0.00 -2.04 0.00 0.00 64.34 62.01 2jtq n VAL 9 Cb 0.54 -1.80 0.55 0.00 -1.47 0.00 0.00 33.84 31.66 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 2.11 0.00 -0.34 7.34 0.13 -1.96 -2.79 132.00 136.50 2jtq h PRO 10 Ca -0.51 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2jtq h PRO 10 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2jtq h PRO 10 CO 0.60 0.00 0.23 1.49 -0.23 0.00 0.00 178.00 180.09 2jtq h GLU 11 N 0.00 0.39 0.00 0.86 4.57 -1.99 -2.73 114.58 115.68 2jtq h GLU 11 Ca 0.00 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 57.96 2jtq h GLU 11 Cb 0.59 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 2jtq h GLU 11 CO 0.00 0.26 -1.32 1.96 -1.18 0.00 0.00 179.01 178.72 2jtq h GLN 12 N 0.40 0.00 -0.93 1.92 4.20 -1.86 -3.27 115.11 115.57 2jtq h GLN 12 Ca 0.13 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.94 2jtq h GLN 12 Cb 0.04 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.75 2jtq h GLN 12 CO -0.03 0.43 0.60 -0.92 -0.67 0.00 0.00 178.83 178.24 2jtq h TYR 13 N 0.00 1.04 0.00 2.96 3.20 -1.54 -0.38 116.97 122.25 2jtq h TYR 13 Ca -0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2jtq h TYR 13 Cb 1.67 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.61 2jtq h TYR 13 CO 0.00 0.48 0.00 1.04 -1.64 0.00 0.00 178.16 178.04 2jtq n GLN 14 N -4.54 0.65 0.00 1.82 6.02 -1.10 -3.37 117.38 116.86 2jtq n GLN 14 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2jtq n GLN 14 Cb 0.29 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.49 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 -0.38 0.00 -3.68 -1.09 6.02 -0.28 -4.30 117.38 113.68 2jtq n GLN 15 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 2jtq n GLN 15 Cb 0.03 -0.68 -0.08 0.00 1.02 0.00 0.00 30.24 30.53 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 -1.56 0.69 0.16 -1.09 2.12 -0.44 -1.13 118.70 117.46 2jtq s GLU 16 Ca 0.00 0.59 -0.17 0.00 0.36 0.00 0.00 54.97 55.75 2jtq s GLU 16 Cb 0.00 0.33 0.03 0.00 0.26 0.00 0.00 34.13 34.75 2jtq s GLU 16 CO 0.00 -0.12 0.46 -3.38 -0.54 0.00 0.00 175.26 171.68 2jtq s HIS 17 N -0.08 -0.17 0.24 5.30 -3.43 -0.12 -4.05 115.29 112.98 2jtq s HIS 17 Ca -0.03 -0.15 -0.30 0.00 -0.80 0.00 0.00 55.06 53.78 2jtq s HIS 17 Cb -0.03 0.33 -0.09 0.00 -1.43 0.00 0.00 32.58 31.35 2jtq s HIS 17 CO 0.02 -0.81 1.29 0.08 -2.00 0.00 0.00 174.74 173.32 2jtq s VAL 18 N -3.84 3.11 -0.03 -5.38 1.01 -1.26 -0.70 120.40 113.31 2jtq s VAL 18 Ca 0.06 0.98 -0.36 0.00 0.00 0.00 0.00 61.98 62.66 2jtq s VAL 18 Cb 0.00 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.62 2jtq s VAL 18 CO -0.08 0.18 1.66 1.67 0.00 0.00 0.00 175.10 178.53 2jtq n GLN 19 N 2.00 1.70 -0.72 2.72 7.27 -0.15 -1.94 117.38 128.26 2jtq n GLN 19 Ca 0.04 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.73 2jtq n GLN 19 Cb 0.43 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.71 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 3.70 1.22 3.78 1.69 0.00 -1.26 -5.01 105.19 109.30 2jtq n GLY 20 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.36 2.73 0.67 4.61 0.00 -0.82 -4.89 121.76 120.70 2jtq s ALA 21 Ca 0.00 0.82 -0.08 0.00 0.00 0.00 0.00 51.96 52.69 2jtq s ALA 21 Cb 0.00 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.79 2jtq s ALA 21 CO 0.00 -0.72 1.01 0.42 0.00 0.00 0.00 175.76 176.46 2jtq s ILE 22 N -1.77 3.17 -0.09 0.00 1.01 -0.29 -4.94 121.20 118.30 2jtq s ILE 22 Ca 0.72 0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.48 2jtq s ILE 22 Cb -0.24 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 38.92 2jtq s ILE 22 CO 0.27 -0.37 -0.18 0.21 0.00 0.00 0.00 174.94 174.87 2jtq s ASN 23 N -4.39 2.44 -0.17 3.58 3.84 -1.26 -0.70 114.94 118.28 2jtq s ASN 23 Ca 0.57 -0.43 -0.04 0.00 0.21 0.00 0.00 52.86 53.17 2jtq s ASN 23 Cb -0.11 -1.12 0.07 0.00 -0.55 0.00 0.00 41.25 39.55 2jtq s ASN 23 CO 0.47 0.08 0.14 -0.63 -2.79 0.00 0.00 177.10 174.37 2jtq s ILE 24 N 0.61 -0.19 0.64 -5.21 1.01 -0.58 -4.93 121.20 112.55 2jtq s ILE 24 Ca -0.14 -0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 2jtq s ILE 24 Cb -0.16 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 2jtq s ILE 24 CO 0.04 -0.20 1.21 -2.16 0.00 0.00 0.00 174.94 173.83 2jtq s PRO 25 N 2.22 2.70 0.30 2.79 0.04 -1.26 -4.07 135.00 137.73 2jtq s PRO 25 Ca 0.04 1.80 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2jtq s PRO 25 Cb -0.15 -1.90 0.77 0.00 0.04 0.00 0.00 34.50 33.26 2jtq s PRO 25 CO -0.10 -1.41 1.75 1.25 0.04 0.00 0.00 177.00 178.53 2jtq h LEU 26 N 0.49 0.68 -0.88 -3.56 5.85 -1.51 0.16 115.31 116.53 2jtq h LEU 26 Ca -0.50 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.40 2jtq h LEU 26 Cb 1.30 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.27 2jtq h LEU 26 CO 0.53 0.18 0.55 0.50 -0.34 0.00 0.00 178.44 179.87 2jtq h LYS 27 N 0.65 0.99 0.13 1.25 3.64 -1.89 -2.89 116.57 118.45 2jtq h LYS 27 Ca 0.59 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.73 2jtq h LYS 27 Cb 1.01 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2jtq h LYS 27 CO -0.43 0.66 -0.79 0.93 -2.27 0.00 0.00 179.45 177.54 2jtq h GLU 28 N 1.02 0.30 -0.93 1.90 5.08 -1.10 -3.39 114.58 117.46 2jtq h GLU 28 Ca 0.38 -0.50 0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2jtq h GLU 28 Cb 0.14 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 2jtq h GLU 28 CO -0.16 1.24 0.60 -0.24 -1.00 0.00 0.00 179.01 179.44 2jtq h VAL 29 N -0.37 0.95 -0.83 3.13 3.04 -0.84 0.21 116.25 121.54 2jtq h VAL 29 Ca -0.14 -0.31 0.15 0.00 -1.01 0.00 0.00 66.70 65.39 2jtq h VAL 29 Cb 1.62 -0.04 -0.06 0.00 -2.01 0.00 0.00 31.29 30.80 2jtq h VAL 29 CO 0.15 0.17 0.54 0.50 -1.01 0.00 0.00 177.57 177.92 2jtq h LYS 30 N 0.91 0.53 0.02 4.17 3.64 -1.72 0.11 116.57 124.23 2jtq h LYS 30 Ca 0.44 -0.03 -0.38 0.00 -1.27 0.00 0.00 60.65 59.41 2jtq h LYS 30 Cb 0.45 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 2jtq h LYS 30 CO -0.20 0.35 -2.16 0.39 -2.27 0.00 0.00 179.45 175.56 2jtq n GLU 31 N -4.52 0.63 0.20 1.90 -0.58 -0.08 -4.58 120.64 113.62 2jtq n GLU 31 Ca 0.16 0.30 0.07 0.00 -0.42 0.00 0.00 57.16 57.27 2jtq n GLU 31 Cb 0.51 -1.59 0.42 0.00 -0.57 0.00 0.00 31.44 30.20 2jtq n GLU 31 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2jtq h ARG 32 N -0.53 0.00 -0.39 3.49 2.43 -0.43 -2.66 114.38 116.29 2jtq h ARG 32 Ca -0.55 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.66 2jtq h ARG 32 Cb 1.70 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.23 2jtq h ARG 32 CO -0.20 0.31 0.26 0.97 -1.51 0.00 0.00 179.97 179.81 2jtq h ILE 33 N 0.00 1.01 -0.20 1.20 6.09 -1.01 -0.47 117.51 124.13 2jtq h ILE 33 Ca -0.00 -0.13 0.03 0.00 -1.37 0.00 0.00 64.86 63.38 2jtq h ILE 33 Cb 0.76 0.59 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 2jtq h ILE 33 CO 0.04 0.07 0.14 0.00 -3.07 0.00 0.00 178.15 175.33 2jtq h ALA 34 N 1.78 2.00 0.18 0.18 0.00 -1.71 0.24 119.26 121.93 2jtq h ALA 34 Ca 0.16 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.71 2jtq h ALA 34 Cb 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jtq h ALA 34 CO -0.04 -0.04 -1.77 1.15 0.00 0.00 0.00 179.25 178.55 2jtq h THR 35 N 0.15 0.89 0.04 0.00 2.02 -1.36 -3.28 112.91 111.37 2jtq h THR 35 Ca 0.09 -2.48 -0.23 0.00 0.77 0.00 0.00 66.41 64.56 2jtq h THR 35 Cb 0.16 2.72 -0.00 0.00 -1.74 0.00 0.00 68.15 69.29 2jtq h THR 35 CO -0.01 0.86 -1.00 0.00 0.37 0.00 0.00 175.52 175.73 2jtq h ALA 36 N 0.09 0.34 -1.92 6.16 0.00 -0.52 -3.39 119.26 120.02 2jtq h ALA 36 Ca -0.36 -0.77 -0.51 0.00 0.00 0.00 0.00 54.91 53.27 2jtq h ALA 36 Cb 2.07 -0.03 -0.35 0.00 0.00 0.00 0.00 17.79 19.48 2jtq h ALA 36 CO 0.16 0.90 -0.95 0.28 0.00 0.00 0.00 179.25 179.64 2jtq n VAL 37 N -3.65 -0.82 0.04 0.00 0.31 0.79 -5.00 118.33 110.01 2jtq n VAL 37 Ca -0.06 -3.31 0.12 0.00 -0.01 0.00 0.00 64.34 61.08 2jtq n VAL 37 Cb 0.88 -1.31 0.58 0.00 -0.91 0.00 0.00 33.84 33.07 2jtq n VAL 37 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2jtq h PRO 38 N 4.80 0.21 -6.04 5.55 0.11 -1.69 -3.40 132.00 131.53 2jtq h PRO 38 Ca 0.14 -0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.73 2jtq h PRO 38 Cb 0.92 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 2jtq h PRO 38 CO 0.37 0.14 1.31 0.34 -0.21 0.00 0.00 178.00 179.95 2jtq s ASP 39 N -6.52 5.42 0.37 -2.05 2.15 -1.26 -4.87 116.67 109.91 2jtq s ASP 39 Ca -0.06 0.25 0.26 0.00 0.43 0.00 0.00 52.55 53.42 2jtq s ASP 39 Cb 0.19 -2.53 1.32 0.00 -0.30 0.00 0.00 42.92 41.60 2jtq s ASP 39 CO 0.72 -2.28 1.78 0.11 -0.17 0.00 0.00 175.17 175.33 2jtq h LYS 40 N 14.18 0.00 -0.40 4.34 1.57 -1.93 -1.57 116.57 132.75 2jtq h LYS 40 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2jtq h LYS 40 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2jtq h LYS 40 CO 1.22 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 178.39 2jtq n ASN 41 N -2.40 3.18 -4.76 0.86 5.15 -1.26 -0.83 115.26 115.20 2jtq n ASN 41 Ca -0.01 -1.95 -0.38 0.00 -0.60 0.00 0.00 54.58 51.64 2jtq n ASN 41 Cb 0.08 -0.26 0.02 0.00 -0.53 0.00 0.00 39.78 39.09 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 -1.41 5.72 -1.17 1.20 2.15 -0.59 -4.63 116.67 117.93 2jtq s ASP 42 Ca 0.39 2.55 -0.21 0.00 0.43 0.00 0.00 52.55 55.70 2jtq s ASP 42 Cb 0.22 -2.62 -0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2jtq s ASP 42 CO 0.30 -1.25 1.80 -0.89 -0.17 0.00 0.00 175.17 174.96 2jtq s THR 43 N -1.42 3.81 -0.81 1.71 2.01 -0.07 -4.32 115.64 116.55 2jtq s THR 43 Ca 0.67 -1.22 -0.25 0.00 0.31 0.00 0.00 61.69 61.20 2jtq s THR 43 Cb -0.35 -4.81 -0.02 0.00 0.01 0.00 0.00 72.50 67.33 2jtq s THR 43 CO 0.42 -1.51 1.78 -0.69 -0.69 0.00 0.00 174.62 173.92 2jtq s VAL 44 N 7.49 3.51 0.28 3.82 1.01 -1.23 -1.39 120.40 133.89 2jtq s VAL 44 Ca 0.60 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 2jtq s VAL 44 Cb 0.00 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2jtq s VAL 44 CO 0.06 -1.17 1.17 -0.54 0.00 0.00 0.00 175.10 174.62 2jtq s LYS 45 N 6.60 4.55 -0.04 2.72 -0.14 0.03 -1.95 119.74 131.51 2jtq s LYS 45 Ca 0.62 1.92 0.04 0.00 -1.36 0.00 0.00 55.97 57.19 2jtq s LYS 45 Cb -0.08 -3.17 -0.00 0.00 -1.68 0.00 0.00 37.83 32.90 2jtq s LYS 45 CO 0.06 0.06 -0.16 0.14 -0.76 0.00 0.00 175.35 174.70 2jtq s VAL 46 N -0.96 1.29 0.18 3.17 -7.23 -0.83 -1.64 120.40 114.39 2jtq s VAL 46 Ca 0.47 -0.65 -0.07 0.00 -1.81 0.00 0.00 61.98 59.92 2jtq s VAL 46 Cb -0.34 -1.11 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 2jtq s VAL 46 CO 0.43 0.38 0.26 -0.72 -0.31 0.00 0.00 175.10 175.14 2jtq s TYR 47 N 0.01 0.58 0.00 2.82 1.13 -1.14 -1.12 117.35 119.63 2jtq s TYR 47 Ca -0.02 -0.92 0.00 0.00 -1.41 0.00 0.00 57.07 54.71 2jtq s TYR 47 Cb -0.10 -0.15 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 2jtq s TYR 47 CO 0.01 -0.73 0.00 0.00 -2.51 0.00 0.00 175.55 172.33 2jtq h ASN 49 N 0.00 -0.15 0.84 0.00 -0.73 -1.93 -0.04 115.58 113.58 2jtq h ASN 49 Ca 0.00 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 2jtq h ASN 49 Cb 0.00 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.63 2jtq h ASN 49 CO 0.00 0.19 -1.16 0.00 -0.37 0.00 0.00 177.43 176.08 2jtq n ALA 50 N -2.54 2.54 0.00 1.57 0.00 -1.26 -2.06 120.51 118.76 2jtq n ALA 50 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2jtq n ALA 50 Cb 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.20 2.60 0.25 0.00 0.00 -1.26 -4.61 105.19 103.38 2jtq n GLY 51 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 2.30 0.84 -0.19 1.61 0.11 -1.94 -0.35 114.38 116.76 2jtq h ARG 52 Ca 0.00 -0.31 -0.18 0.00 0.10 0.00 0.00 59.98 59.59 2jtq h ARG 52 Cb 0.00 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.02 2jtq h ARG 52 CO 0.00 0.94 -0.61 0.37 0.10 0.00 0.00 179.97 180.77 2jtq h GLN 53 N 0.67 0.64 -0.12 0.08 4.15 -1.95 -1.47 115.11 117.11 2jtq h GLN 53 Ca 0.11 -0.44 -0.10 0.00 0.77 0.00 0.00 58.65 59.00 2jtq h GLN 53 Cb 0.61 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2jtq h GLN 53 CO 0.04 1.06 -0.35 0.66 -1.93 0.00 0.00 178.83 178.30 2jtq h SER 54 N 0.48 0.25 0.04 -0.69 4.64 -1.82 0.37 113.55 116.82 2jtq h SER 54 Ca -0.00 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2jtq h SER 54 Cb 1.18 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2jtq h SER 54 CO 0.12 0.59 -0.02 1.23 -0.87 0.00 0.00 176.83 177.88 2jtq h GLY 55 N 1.13 -0.06 1.08 -0.77 0.00 -0.61 -0.09 103.07 103.75 2jtq h GLY 55 Ca 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2jtq h GLY 55 CO 0.06 -0.02 0.32 -1.61 0.00 0.00 0.00 176.54 175.28 2jtq h GLN 56 N -0.06 1.17 -0.77 4.80 5.75 -1.11 -2.84 115.11 122.04 2jtq h GLN 56 Ca -0.00 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.27 2jtq h GLN 56 Cb 0.05 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 2jtq h GLN 56 CO 0.00 0.94 0.40 0.00 -2.65 0.00 0.00 178.83 177.52 2jtq h ALA 57 N 1.21 1.25 -0.55 3.38 0.00 -0.61 -1.48 119.26 122.45 2jtq h ALA 57 Ca 0.26 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2jtq h ALA 57 Cb 0.20 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2jtq h ALA 57 CO -0.02 0.59 0.28 -0.22 0.00 0.00 0.00 179.25 179.88 2jtq h LYS 58 N 1.08 0.52 -0.15 0.00 3.64 -0.77 0.01 116.57 120.91 2jtq h LYS 58 Ca 0.27 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.41 2jtq h LYS 58 Cb 0.06 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2jtq h LYS 58 CO -0.04 0.35 -0.72 0.93 -2.27 0.00 0.00 179.45 177.69 2jtq h GLU 59 N 0.54 0.69 -0.21 1.90 4.39 -1.43 -0.44 114.58 120.01 2jtq h GLU 59 Ca 0.24 -0.53 0.04 0.00 0.34 0.00 0.00 59.36 59.44 2jtq h GLU 59 Cb 0.15 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 2jtq h GLU 59 CO -0.17 1.15 0.00 0.82 -1.16 0.00 0.00 179.01 179.65 2jtq h ILE 60 N 0.48 0.85 0.00 3.13 2.04 -0.99 -0.50 117.51 122.52 2jtq h ILE 60 Ca -0.03 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 2jtq h ILE 60 Cb 1.33 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2jtq h ILE 60 CO 0.14 0.01 -0.50 -0.07 0.00 0.00 0.00 178.15 177.74 2jtq h LEU 61 N 0.07 0.00 -0.60 1.44 3.38 -0.82 -0.52 115.31 118.26 2jtq h LEU 61 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2jtq h LEU 61 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2jtq h LEU 61 CO -0.17 0.50 0.09 0.28 0.09 0.00 0.00 178.44 179.23 2jtq h SER 62 N 0.00 0.96 0.23 -0.43 0.02 -0.68 -1.68 113.55 111.98 2jtq h SER 62 Ca -0.00 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.59 2jtq h SER 62 Cb 0.96 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2jtq h SER 62 CO 0.06 0.98 -0.37 -0.33 -1.14 0.00 0.00 176.83 176.04 2jtq h GLU 63 N 0.91 0.20 0.00 3.45 4.39 -0.60 -0.99 114.58 121.94 2jtq h GLU 63 Ca 0.18 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2jtq h GLU 63 Cb 0.43 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2jtq h GLU 63 CO 0.01 0.54 0.00 -1.33 -1.16 0.00 0.00 179.01 177.08 2jtq n MET 64 N -4.07 0.07 -0.81 2.33 2.81 -0.25 -4.88 117.12 112.32 2jtq n MET 64 Ca -0.01 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 2jtq n MET 64 Cb 0.44 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 -0.37 0.54 3.72 3.03 0.00 -0.37 -5.03 105.19 106.71 2jtq n GLY 65 Ca 0.04 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 3.14 -1.79 1.61 1.51 -0.67 -4.92 117.35 114.23 2jtq s TYR 66 Ca 0.00 0.89 0.23 0.00 -1.01 0.00 0.00 57.07 57.18 2jtq s TYR 66 Cb 0.00 -3.78 0.06 0.00 -0.11 0.00 0.00 41.96 38.13 2jtq s TYR 66 CO 0.00 -2.73 1.13 0.25 -1.11 0.00 0.00 175.55 173.09 2jtq n THR 67 N 3.50 0.00 -2.26 -0.71 -2.24 -0.01 -4.34 114.28 108.23 2jtq n THR 67 Ca 0.11 -0.19 0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2jtq n THR 67 Cb 0.41 1.07 0.04 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.40 0.00 -1.69 4.78 -0.00 -1.24 -4.98 115.22 111.69 2jtq n HIS 68 Ca 0.09 -0.56 -0.42 0.00 0.46 0.00 0.00 57.72 57.29 2jtq n HIS 68 Cb 0.43 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 30.15 2jtq n HIS 68 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2jtq n VAL 69 N 0.15 2.25 -3.70 3.57 0.31 -1.26 -3.49 118.33 116.16 2jtq n VAL 69 Ca 0.07 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.72 2jtq n VAL 69 Cb 1.00 -1.53 -0.17 0.00 -0.91 0.00 0.00 33.84 32.23 2jtq n VAL 69 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2jtq s GLU 70 N -2.01 -0.06 0.07 5.55 2.12 -0.82 -4.92 118.70 118.62 2jtq s GLU 70 Ca 0.58 0.34 -0.30 0.00 0.36 0.00 0.00 54.97 55.95 2jtq s GLU 70 Cb -0.55 -0.42 -0.05 0.00 0.26 0.00 0.00 34.13 33.37 2jtq s GLU 70 CO 0.60 -0.28 1.14 1.21 -0.54 0.00 0.00 175.26 177.39 2jtq s ASN 71 N 1.85 7.16 -0.10 -1.70 3.84 -1.26 -1.96 114.94 122.78 2jtq s ASN 71 Ca 0.01 1.97 0.14 0.00 0.21 0.00 0.00 52.86 55.18 2jtq s ASN 71 Cb -0.12 -2.58 0.45 0.00 -0.55 0.00 0.00 41.25 38.45 2jtq s ASN 71 CO -0.03 -0.39 1.37 0.00 -2.79 0.00 0.00 177.10 175.26 2jtq n ALA 72 N 3.65 2.67 -0.40 1.71 0.00 -0.28 -4.89 120.51 122.96 2jtq n ALA 72 Ca 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.75 2jtq n ALA 72 Cb 0.47 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 0.05 1.59 3.60 0.00 0.00 -1.26 -4.74 105.19 104.43 2jtq n GLY 73 Ca 0.18 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.07 0.39 0.59 -0.02 0.00 -1.26 -3.56 107.32 103.40 2jtq s GLY 74 Ca 0.00 -0.74 0.29 0.00 0.00 0.00 0.00 44.72 44.26 2jtq s GLY 74 CO 0.00 -0.54 1.99 1.41 0.00 0.00 0.00 173.10 175.96 2jtq h LEU 75 N 2.24 0.00 -2.46 0.66 3.38 -0.41 -0.75 115.31 117.97 2jtq h LEU 75 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jtq h LEU 75 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2jtq h LEU 75 CO 0.35 0.00 0.00 0.07 0.09 0.00 0.00 178.44 178.95 2jtq h LYS 76 N 0.00 0.00 0.00 1.13 -0.00 -1.82 -3.27 116.57 112.61 2jtq h LYS 76 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.80 2jtq h LYS 76 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.06 2jtq h LYS 76 CO -0.00 0.00 -0.30 -3.47 -0.00 0.00 0.00 179.45 175.68 2jtq n ASP 77 N -3.05 1.50 -4.75 7.07 2.03 -0.36 -5.04 116.55 113.96 2jtq n ASP 77 Ca -0.02 -0.10 -0.41 0.00 0.52 0.00 0.00 54.79 54.78 2jtq n ASP 77 Cb 0.14 0.50 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 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 -0.80 2.61 -0.14 5.18 1.01 -0.77 -4.92 121.20 123.36 2jtq s ILE 78 Ca 0.00 0.52 0.16 0.00 0.00 0.00 0.00 60.65 61.33 2jtq s ILE 78 Cb 0.00 -3.33 0.31 0.00 0.01 0.00 0.00 42.46 39.45 2jtq s ILE 78 CO 0.00 0.09 1.16 0.00 0.00 0.00 0.00 174.94 176.19 2jtq n ALA 79 N 2.22 2.61 -1.47 9.38 0.00 -1.26 -4.92 120.51 127.07 2jtq n ALA 79 Ca 0.06 -2.74 -0.32 0.00 0.00 0.00 0.00 53.44 50.45 2jtq n ALA 79 Cb 0.40 -0.38 0.06 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.82 2.73 -0.18 0.00 -1.94 -1.26 -4.96 119.30 110.88 2jtq s MET 80 Ca 0.32 1.24 -0.38 0.00 -1.71 0.00 0.00 55.69 55.16 2jtq s MET 80 Cb 0.29 -1.95 -0.15 0.00 2.01 0.00 0.00 34.83 35.03 2jtq s MET 80 CO 0.00 -1.28 1.72 -2.30 -0.01 0.00 0.00 175.02 173.15 2jtq n PRO 81 N -2.78 1.42 -2.31 2.03 -0.02 -1.26 -4.90 135.00 127.18 2jtq n PRO 81 Ca 0.09 0.52 -0.28 0.00 -2.02 0.00 0.00 63.50 61.81 2jtq n PRO 81 Cb 0.53 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.78 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 3.20 3.38 0.01 -0.52 -0.14 -1.26 -0.98 119.74 123.44 2jtq s LYS 82 Ca 0.95 0.34 0.03 0.00 -1.36 0.00 0.00 55.97 55.92 2jtq s LYS 82 Cb -0.96 -2.24 -0.01 0.00 -1.68 0.00 0.00 37.83 32.94 2jtq s LYS 82 CO 0.59 -0.47 -0.09 0.08 -0.76 0.00 0.00 175.35 174.70 2jtq s VAL 83 N -2.97 0.66 0.07 3.17 1.01 0.13 -4.69 120.40 117.78 2jtq s VAL 83 Ca 0.52 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2jtq s VAL 83 Cb -0.11 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2jtq s VAL 83 CO 0.48 0.05 -0.07 -0.54 0.00 0.00 0.00 175.10 175.02 2jtq s LYS 84 N -0.56 0.66 0.00 2.72 1.02 -1.26 -0.95 119.74 121.37 2jtq s LYS 84 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 54.96 2jtq s LYS 84 Cb -0.05 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.04 2jtq s LYS 84 CO 0.00 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.85