#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 0.92 -0.11 0.00 2.12 -1.26 -0.74 118.70 119.63 2jtq s GLU 2 Ca 0.00 0.55 -0.10 0.00 0.36 0.00 0.00 54.97 55.78 2jtq s GLU 2 Cb 0.00 0.44 0.03 0.00 0.26 0.00 0.00 34.13 34.86 2jtq s GLU 2 CO 0.00 -0.22 0.28 -1.01 -0.54 0.00 0.00 175.26 173.77 2jtq s HIS 3 N -0.51 -0.31 -0.23 5.30 3.76 -0.30 -4.87 115.29 118.13 2jtq s HIS 3 Ca -0.06 0.76 -0.23 0.00 -0.15 0.00 0.00 55.06 55.38 2jtq s HIS 3 Cb -0.02 0.11 -0.01 0.00 1.11 0.00 0.00 32.58 33.76 2jtq s HIS 3 CO 0.06 -0.15 0.77 -1.58 -0.85 0.00 0.00 174.74 172.98 2jtq s TRP 4 N 0.20 3.33 -0.30 1.40 0.52 -1.26 -0.79 118.94 122.04 2jtq s TRP 4 Ca -0.00 1.08 0.03 0.00 0.02 0.00 0.00 56.10 57.22 2jtq s TRP 4 Cb -0.02 -2.98 0.08 0.00 -1.15 0.00 0.00 33.47 29.40 2jtq s TRP 4 CO -0.00 -0.33 0.00 0.42 0.02 0.00 0.00 176.95 177.06 2jtq s ILE 5 N 2.55 1.92 -0.32 2.03 -1.09 -0.13 -1.42 121.20 124.74 2jtq s ILE 5 Ca 0.33 -1.86 -0.29 0.00 -2.23 0.00 0.00 60.65 56.61 2jtq s ILE 5 Cb -0.16 -2.29 -0.01 0.00 -1.58 0.00 0.00 42.46 38.42 2jtq s ILE 5 CO 0.09 -0.40 1.54 -0.62 -1.23 0.00 0.00 174.94 174.32 2jtq s ASP 6 N 1.13 6.29 0.00 3.58 2.15 0.09 -2.15 116.67 127.77 2jtq s ASP 6 Ca 0.03 1.21 0.24 0.00 0.43 0.00 0.00 52.55 54.46 2jtq s ASP 6 Cb -0.19 -2.53 0.41 0.00 -0.30 0.00 0.00 42.92 40.30 2jtq s ASP 6 CO -0.09 -1.40 1.39 1.33 -0.17 0.00 0.00 175.17 176.22 2jtq n VAL 7 N 6.86 0.27 -0.79 1.11 0.24 0.12 -1.23 118.33 124.91 2jtq n VAL 7 Ca 0.18 -0.60 -0.30 0.00 -2.04 0.00 0.00 64.34 61.59 2jtq n VAL 7 Cb 0.47 1.08 0.18 0.00 -1.47 0.00 0.00 33.84 34.10 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 -1.73 0.58 0.49 7.34 3.52 -1.24 -1.49 118.95 126.42 2jtq s ARG 8 Ca 0.34 1.17 -0.24 0.00 -0.13 0.00 0.00 55.73 56.88 2jtq s ARG 8 Cb 0.21 -1.70 -0.07 0.00 -1.56 0.00 0.00 34.95 31.83 2jtq s ARG 8 CO 0.31 -2.81 1.41 0.14 -0.81 0.00 0.00 175.30 173.54 2jtq s VAL 9 N -2.67 2.04 -0.10 7.11 -7.23 -1.26 -4.25 120.40 114.04 2jtq s VAL 9 Ca 0.66 0.03 0.30 0.00 -1.81 0.00 0.00 61.98 61.16 2jtq s VAL 9 Cb -0.22 -3.02 0.35 0.00 0.56 0.00 0.00 36.38 34.06 2jtq s VAL 9 CO 0.60 0.00 1.89 1.55 -0.31 0.00 0.00 175.10 178.83 2jtq h PRO 10 N 1.94 0.00 0.00 4.82 0.13 -1.96 -2.64 132.00 134.30 2jtq h PRO 10 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2jtq h PRO 10 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2jtq h PRO 10 CO 0.59 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 179.19 2jtq h GLU 11 N 0.00 0.00 0.00 0.86 4.39 -2.01 -2.40 114.58 115.43 2jtq h GLU 11 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 2jtq h GLU 11 Cb 0.51 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 2jtq h GLU 11 CO 0.00 0.10 -1.35 1.96 -1.16 0.00 0.00 179.01 178.56 2jtq h GLN 12 N 0.00 0.00 -0.85 2.33 4.20 -1.84 -3.30 115.11 115.66 2jtq h GLN 12 Ca -0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 2jtq h GLN 12 Cb 0.19 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 2jtq h GLN 12 CO 0.01 0.52 0.55 -0.92 -0.67 0.00 0.00 178.83 178.33 2jtq h TYR 13 N 0.00 0.89 0.00 2.96 3.20 -1.47 -0.05 116.97 122.50 2jtq h TYR 13 Ca -0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2jtq h TYR 13 Cb 1.77 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.75 2jtq h TYR 13 CO 0.00 0.43 0.00 1.96 -1.64 0.00 0.00 178.16 178.91 2jtq h GLN 14 N 0.84 0.00 0.03 1.82 4.20 -1.55 -3.17 115.11 117.29 2jtq h GLN 14 Ca 0.38 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.74 2jtq h GLN 14 Cb 0.38 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2jtq h GLN 14 CO -0.15 0.00 -1.98 1.04 -0.67 0.00 0.00 178.83 177.07 2jtq n GLN 15 N -2.55 0.64 -3.61 1.46 1.13 -0.15 -3.65 117.38 110.65 2jtq n GLN 15 Ca 0.01 0.35 -0.16 0.00 -1.94 0.00 0.00 57.00 55.26 2jtq n GLN 15 Cb 0.21 -1.64 -0.07 0.00 0.11 0.00 0.00 30.24 28.85 2jtq n GLN 15 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2jtq s GLU 16 N -2.48 0.86 0.14 -1.09 2.12 -0.53 -0.99 118.70 116.74 2jtq s GLU 16 Ca -0.31 0.45 -0.11 0.00 0.36 0.00 0.00 54.97 55.36 2jtq s GLU 16 Cb 0.09 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.89 2jtq s GLU 16 CO 0.61 -0.21 0.31 -3.38 -0.54 0.00 0.00 175.26 172.06 2jtq s HIS 17 N -0.57 0.16 0.39 5.30 -3.43 -0.25 -4.00 115.29 112.90 2jtq s HIS 17 Ca -0.07 -0.54 -0.25 0.00 -0.80 0.00 0.00 55.06 53.40 2jtq s HIS 17 Cb -0.03 0.06 -0.09 0.00 -1.43 0.00 0.00 32.58 31.10 2jtq s HIS 17 CO 0.05 -0.70 1.18 0.08 -2.00 0.00 0.00 174.74 173.36 2jtq s VAL 18 N -3.90 3.10 -0.14 -5.38 1.01 -1.26 -0.74 120.40 113.08 2jtq s VAL 18 Ca 0.11 0.94 -0.35 0.00 0.00 0.00 0.00 61.98 62.67 2jtq s VAL 18 Cb 0.03 -3.53 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 2jtq s VAL 18 CO -0.05 0.10 1.90 1.67 0.00 0.00 0.00 175.10 178.72 2jtq n GLN 19 N 0.13 1.96 -0.97 2.72 7.27 -0.22 -1.55 117.38 126.71 2jtq n GLN 19 Ca 0.04 0.70 0.00 0.00 0.07 0.00 0.00 57.00 57.81 2jtq n GLN 19 Cb 0.46 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.52 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 4.61 0.70 3.77 1.69 0.00 -1.26 -5.02 105.19 109.67 2jtq n GLY 20 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.88 2.93 0.43 4.61 0.00 -0.59 -4.84 121.76 121.41 2jtq s ALA 21 Ca 0.00 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 2jtq s ALA 21 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2jtq s ALA 21 CO 0.00 -0.81 0.77 0.42 0.00 0.00 0.00 175.76 176.14 2jtq s ILE 22 N -1.51 4.85 -0.15 0.00 -1.09 -0.51 -4.95 121.20 117.84 2jtq s ILE 22 Ca 0.66 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 2jtq s ILE 22 Cb -0.31 -3.79 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2jtq s ILE 22 CO 0.37 -0.65 -0.15 0.21 -1.23 0.00 0.00 174.94 173.49 2jtq s ASN 23 N -3.55 3.66 -0.32 3.58 3.84 -1.26 -0.73 114.94 120.16 2jtq s ASN 23 Ca 0.49 -0.47 -0.02 0.00 0.21 0.00 0.00 52.86 53.08 2jtq s ASN 23 Cb -0.10 -1.56 0.12 0.00 -0.55 0.00 0.00 41.25 39.16 2jtq s ASN 23 CO 0.37 0.09 0.18 -0.63 -2.79 0.00 0.00 177.10 174.32 2jtq s ILE 24 N 0.80 -0.02 0.71 -5.21 1.01 -0.36 -4.95 121.20 113.18 2jtq s ILE 24 Ca -0.06 -1.15 -0.15 0.00 0.00 0.00 0.00 60.65 59.29 2jtq s ILE 24 Cb -0.15 -1.02 0.03 0.00 0.01 0.00 0.00 42.46 41.33 2jtq s ILE 24 CO 0.00 -0.82 1.21 -2.16 0.00 0.00 0.00 174.94 173.18 2jtq s PRO 25 N 1.66 2.23 0.33 2.79 0.04 -1.26 -4.00 135.00 136.79 2jtq s PRO 25 Ca 0.13 1.78 0.08 0.00 0.04 0.00 0.00 61.00 63.04 2jtq s PRO 25 Cb -0.19 -1.84 0.82 0.00 0.04 0.00 0.00 34.50 33.33 2jtq s PRO 25 CO -0.20 -1.77 1.79 1.25 0.04 0.00 0.00 177.00 178.11 2jtq h LEU 26 N -0.15 0.71 -1.04 -3.56 5.85 -1.52 0.25 115.31 115.84 2jtq h LEU 26 Ca -0.48 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2jtq h LEU 26 Cb 1.30 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 2jtq h LEU 26 CO 0.50 0.24 0.55 0.50 -0.34 0.00 0.00 178.44 179.90 2jtq h LYS 27 N 0.69 1.21 0.02 1.25 1.63 -1.89 -2.94 116.57 116.53 2jtq h LYS 27 Ca 0.57 -0.10 -0.13 0.00 -0.85 0.00 0.00 60.65 60.14 2jtq h LYS 27 Cb 0.99 -0.26 0.01 0.00 -0.60 0.00 0.00 32.23 32.37 2jtq h LYS 27 CO -0.35 0.84 -0.52 0.93 -3.45 0.00 0.00 179.45 176.89 2jtq h GLU 28 N 1.23 0.32 -0.74 1.90 5.08 -0.94 -3.38 114.58 118.05 2jtq h GLU 28 Ca 0.32 -0.37 0.11 0.00 -1.00 0.00 0.00 59.36 58.43 2jtq h GLU 28 Cb -0.07 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2jtq h GLU 28 CO -0.06 1.07 0.49 -0.24 -1.00 0.00 0.00 179.01 179.27 2jtq h VAL 29 N -0.28 0.90 0.00 3.13 3.04 -0.77 0.29 116.25 122.56 2jtq h VAL 29 Ca -0.07 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2jtq h VAL 29 Cb 1.27 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 2jtq h VAL 29 CO 0.10 0.11 0.00 1.17 -1.01 0.00 0.00 177.57 177.94 2jtq n LYS 30 N -4.50 0.08 0.00 4.17 4.81 -1.20 -1.14 118.16 120.39 2jtq n LYS 30 Ca 0.13 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2jtq n LYS 30 Cb 0.39 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.68 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 -1.92 0.00 0.25 1.64 -0.58 0.09 -4.86 120.64 115.26 2jtq n GLU 31 Ca -0.01 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 2jtq n GLU 31 Cb 0.02 -0.57 0.63 0.00 -0.57 0.00 0.00 31.44 30.95 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 0.00 0.00 -0.47 3.49 2.43 -0.43 -1.62 114.38 117.77 2jtq h ARG 32 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jtq h ARG 32 Cb 0.85 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2jtq h ARG 32 CO 0.00 0.15 0.30 0.97 -1.51 0.00 0.00 179.97 179.88 2jtq h ILE 33 N 0.00 1.13 -0.79 1.20 6.09 -1.33 -0.36 117.51 123.45 2jtq h ILE 33 Ca -0.00 -0.25 0.02 0.00 -1.37 0.00 0.00 64.86 63.26 2jtq h ILE 33 Cb 0.52 0.44 -0.04 0.00 0.47 0.00 0.00 36.82 38.20 2jtq h ILE 33 CO 0.02 0.12 0.52 0.00 -3.07 0.00 0.00 178.15 175.75 2jtq h ALA 34 N 1.69 1.48 -0.07 0.18 0.00 -1.52 0.26 119.26 121.29 2jtq h ALA 34 Ca 0.17 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 2jtq h ALA 34 Cb -0.06 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.44 2jtq h ALA 34 CO -0.04 0.47 -0.61 1.15 0.00 0.00 0.00 179.25 180.22 2jtq h THR 35 N 1.03 1.37 0.09 0.00 2.02 -1.43 -3.18 112.91 112.81 2jtq h THR 35 Ca 0.30 -1.95 -0.27 0.00 0.77 0.00 0.00 66.41 65.26 2jtq h THR 35 Cb -0.05 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2jtq h THR 35 CO -0.08 0.59 -1.28 0.00 0.37 0.00 0.00 175.52 175.12 2jtq h ALA 36 N 0.43 0.22 -1.61 6.16 0.00 -0.66 -3.41 119.26 120.39 2jtq h ALA 36 Ca -0.06 -0.97 -0.47 0.00 0.00 0.00 0.00 54.91 53.42 2jtq h ALA 36 Cb 1.27 0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.79 2jtq h ALA 36 CO 0.12 1.10 -0.92 0.28 0.00 0.00 0.00 179.25 179.83 2jtq n VAL 37 N -3.45 -0.62 0.19 0.00 0.31 0.88 -5.00 118.33 110.64 2jtq n VAL 37 Ca -0.09 -3.20 0.05 0.00 -0.01 0.00 0.00 64.34 61.09 2jtq n VAL 37 Cb 1.01 -1.02 0.48 0.00 -0.91 0.00 0.00 33.84 33.40 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 4.39 0.09 -6.13 5.55 0.13 -1.67 -3.41 132.00 130.94 2jtq h PRO 38 Ca 0.07 -0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.61 2jtq h PRO 38 Cb 0.93 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.03 2jtq h PRO 38 CO 0.39 0.23 1.36 0.34 -0.23 0.00 0.00 178.00 180.09 2jtq s ASP 39 N -6.96 5.64 0.54 1.44 2.15 -1.26 -4.87 116.67 113.35 2jtq s ASP 39 Ca -0.05 1.38 0.26 0.00 0.43 0.00 0.00 52.55 54.57 2jtq s ASP 39 Cb 0.16 -2.52 1.54 0.00 -0.30 0.00 0.00 42.92 41.80 2jtq s ASP 39 CO 0.71 -1.89 2.14 0.11 -0.17 0.00 0.00 175.17 176.07 2jtq h LYS 40 N 14.01 0.00 -0.10 4.34 1.79 -1.91 -2.12 116.57 132.58 2jtq h LYS 40 Ca -0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 2jtq h LYS 40 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2jtq h LYS 40 CO 1.03 0.07 0.00 -1.71 -1.08 0.00 0.00 179.45 177.76 2jtq n ASN 41 N -3.86 1.30 -4.77 0.86 5.15 -1.26 -0.80 115.26 111.89 2jtq n ASN 41 Ca -0.02 -1.58 -0.39 0.00 -0.60 0.00 0.00 54.58 51.98 2jtq n ASN 41 Cb 0.16 -0.06 -0.00 0.00 -0.53 0.00 0.00 39.78 39.35 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 -1.68 6.20 -1.26 1.20 2.15 -0.80 -4.59 116.67 117.89 2jtq s ASP 42 Ca 0.34 2.61 -0.19 0.00 0.43 0.00 0.00 52.55 55.73 2jtq s ASP 42 Cb 0.18 -2.63 0.01 0.00 -0.30 0.00 0.00 42.92 40.18 2jtq s ASP 42 CO 0.28 -0.92 1.83 0.41 -0.17 0.00 0.00 175.17 176.60 2jtq n THR 43 N -0.07 3.21 -2.13 1.71 -1.04 0.08 -4.24 114.28 111.79 2jtq n THR 43 Ca 0.05 -3.30 -0.39 0.00 -2.04 0.00 0.00 64.05 58.37 2jtq n THR 43 Cb 0.44 -2.31 -0.03 0.00 -1.82 0.00 0.00 70.33 66.62 2jtq n THR 43 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jtq s VAL 44 N 6.36 3.43 -0.78 12.58 1.01 -1.25 -1.15 120.40 140.60 2jtq s VAL 44 Ca 0.58 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 2jtq s VAL 44 Cb 0.03 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.35 2jtq s VAL 44 CO 0.09 -1.06 1.24 -0.54 0.00 0.00 0.00 175.10 174.84 2jtq s LYS 45 N 6.74 3.26 0.18 2.72 1.02 0.03 -1.31 119.74 132.38 2jtq s LYS 45 Ca 0.62 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.73 2jtq s LYS 45 Cb -0.12 -4.43 -0.08 0.00 -0.52 0.00 0.00 37.83 32.68 2jtq s LYS 45 CO 0.20 -2.08 1.09 0.14 -0.92 0.00 0.00 175.35 173.78 2jtq s VAL 46 N 5.15 3.89 0.09 3.17 -7.23 -0.33 -0.95 120.40 124.20 2jtq s VAL 46 Ca 0.34 1.64 -0.06 0.00 -1.81 0.00 0.00 61.98 62.09 2jtq s VAL 46 Cb -0.08 -4.05 -0.01 0.00 0.56 0.00 0.00 36.38 32.80 2jtq s VAL 46 CO 0.09 0.29 0.13 -0.72 -0.31 0.00 0.00 175.10 174.58 2jtq s TYR 47 N -0.26 0.32 0.00 2.82 -0.85 -0.91 -0.95 117.35 117.51 2jtq s TYR 47 Ca 0.49 -0.77 0.00 0.00 -0.52 0.00 0.00 57.07 56.27 2jtq s TYR 47 Cb -0.29 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 41.88 2jtq s TYR 47 CO 0.35 -0.52 0.00 0.00 -1.52 0.00 0.00 175.55 173.86 2jtq h ASN 49 N 0.00 0.90 0.00 0.00 -0.73 -1.95 -2.99 115.58 110.81 2jtq h ASN 49 Ca 0.00 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2jtq h ASN 49 Cb 0.00 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.36 2jtq h ASN 49 CO 0.00 0.68 0.00 0.00 -0.37 0.00 0.00 177.43 177.74 2jtq n ALA 50 N -2.33 1.35 0.00 1.57 0.00 -1.26 -2.98 120.51 116.86 2jtq n ALA 50 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2jtq n ALA 50 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 0.59 0.28 0.15 0.00 0.00 -1.24 -2.54 105.19 102.42 2jtq n GLY 51 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.40 -0.10 1.61 0.11 -1.98 0.80 114.38 115.22 2jtq h ARG 52 Ca 0.00 -0.09 -0.19 0.00 0.10 0.00 0.00 59.98 59.80 2jtq h ARG 52 Cb 0.00 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.02 2jtq h ARG 52 CO 0.00 0.47 -0.72 0.37 0.10 0.00 0.00 179.97 180.19 2jtq h GLN 53 N 0.26 0.49 0.00 0.08 4.15 -1.97 -2.44 115.11 115.67 2jtq h GLN 53 Ca 0.08 -0.39 -0.10 0.00 0.77 0.00 0.00 58.65 59.02 2jtq h GLN 53 Cb 0.24 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2jtq h GLN 53 CO -0.00 1.02 -0.46 0.66 -1.93 0.00 0.00 178.83 178.12 2jtq h SER 54 N 0.34 0.00 -0.08 -0.69 4.64 -1.83 -0.22 113.55 115.70 2jtq h SER 54 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2jtq h SER 54 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2jtq h SER 54 CO 0.13 0.46 0.03 1.23 -0.87 0.00 0.00 176.83 177.81 2jtq h GLY 55 N 1.80 0.14 1.00 -0.77 0.00 -0.54 0.11 103.07 104.81 2jtq h GLY 55 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2jtq h GLY 55 CO 0.06 0.07 0.31 1.46 0.00 0.00 0.00 176.54 178.45 2jtq h GLN 56 N -0.04 0.66 -0.92 4.80 1.08 -1.35 -2.70 115.11 116.64 2jtq h GLN 56 Ca 0.03 -0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.24 2jtq h GLN 56 Cb 0.20 -0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.42 2jtq h GLN 56 CO -0.00 0.46 0.58 0.00 -0.95 0.00 0.00 178.83 178.92 2jtq h ALA 57 N 1.16 1.27 -0.25 3.87 0.00 -0.77 -0.17 119.26 124.37 2jtq h ALA 57 Ca 0.18 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2jtq h ALA 57 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2jtq h ALA 57 CO -0.04 0.34 0.11 -0.22 0.00 0.00 0.00 179.25 179.44 2jtq h LYS 58 N 1.05 0.23 -0.14 0.00 3.64 -0.46 -0.33 116.57 120.56 2jtq h LYS 58 Ca 0.40 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.58 2jtq h LYS 58 Cb 0.18 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2jtq h LYS 58 CO -0.18 0.15 -0.69 0.93 -2.27 0.00 0.00 179.45 177.40 2jtq h GLU 59 N 0.23 0.60 0.03 1.90 4.39 -1.19 -0.67 114.58 119.87 2jtq h GLU 59 Ca 0.11 -0.45 0.02 0.00 0.34 0.00 0.00 59.36 59.37 2jtq h GLU 59 Cb 0.06 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2jtq h GLU 59 CO -0.09 1.07 -0.11 0.82 -1.16 0.00 0.00 179.01 179.54 2jtq h ILE 60 N 0.43 0.73 -0.27 3.13 2.04 -0.85 0.27 117.51 122.99 2jtq h ILE 60 Ca -0.02 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 2jtq h ILE 60 Cb 1.27 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2jtq h ILE 60 CO 0.13 0.00 -0.32 -0.07 0.00 0.00 0.00 178.15 177.89 2jtq h LEU 61 N -0.20 0.58 -0.59 1.44 3.38 -0.90 -0.32 115.31 118.70 2jtq h LEU 61 Ca 0.03 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2jtq h LEU 61 Cb 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2jtq h LEU 61 CO -0.09 0.86 0.15 0.28 0.09 0.00 0.00 178.44 179.73 2jtq h SER 62 N 0.48 0.89 -0.34 -0.43 0.02 -0.91 -1.20 113.55 112.06 2jtq h SER 62 Ca 0.06 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.67 2jtq h SER 62 Cb 0.79 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2jtq h SER 62 CO 0.06 0.88 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.40 2jtq h GLU 63 N 0.85 0.80 -0.16 3.45 4.57 -0.63 -2.39 114.58 121.08 2jtq h GLU 63 Ca 0.19 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2jtq h GLU 63 Cb 0.34 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2jtq h GLU 63 CO 0.00 0.91 0.03 0.52 -1.18 0.00 0.00 179.01 179.30 2jtq h MET 64 N 0.71 0.22 0.00 1.92 2.86 -0.81 -3.46 114.93 116.37 2jtq h MET 64 Ca 0.11 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2jtq h MET 64 Cb 0.67 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2jtq h MET 64 CO 0.05 0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.64 2jtq n GLY 65 N -1.31 0.92 3.77 8.32 0.00 -0.69 -5.09 105.19 111.11 2jtq n GLY 65 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.48 2.93 -0.86 1.61 1.51 -0.54 -4.92 117.35 115.59 2jtq s TYR 66 Ca 0.00 1.37 0.10 0.00 -1.01 0.00 0.00 57.07 57.53 2jtq s TYR 66 Cb 0.00 -3.74 -0.01 0.00 -0.11 0.00 0.00 41.96 38.11 2jtq s TYR 66 CO 0.00 -2.09 0.61 0.25 -1.11 0.00 0.00 175.55 173.21 2jtq n THR 67 N 0.61 0.00 -2.31 -0.71 -2.24 0.02 -4.39 114.28 105.26 2jtq n THR 67 Ca 0.01 -0.40 0.03 0.00 -2.27 0.00 0.00 64.05 61.42 2jtq n THR 67 Cb 0.42 1.11 0.02 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.30 0.00 -1.71 4.78 -0.00 -1.22 -4.95 115.22 111.82 2jtq n HIS 68 Ca 0.04 -0.42 -0.39 0.00 -0.00 0.00 0.00 57.72 56.95 2jtq n HIS 68 Cb 0.20 -0.13 0.03 0.00 -0.00 0.00 0.00 29.99 30.10 2jtq n HIS 68 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2jtq n VAL 69 N 0.28 3.38 -4.20 3.57 0.31 -1.26 -3.89 118.33 116.52 2jtq n VAL 69 Ca 0.05 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.71 2jtq n VAL 69 Cb 1.01 -1.56 -0.15 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 -2.64 0.51 -0.14 5.55 2.12 -0.43 -4.92 118.70 118.75 2jtq s GLU 70 Ca 0.69 -0.20 -0.15 0.00 0.36 0.00 0.00 54.97 55.66 2jtq s GLU 70 Cb -0.45 -0.50 -0.05 0.00 0.26 0.00 0.00 34.13 33.40 2jtq s GLU 70 CO 0.52 0.11 0.35 1.21 -0.54 0.00 0.00 175.26 176.91 2jtq s ASN 71 N -0.05 6.53 -0.15 -1.70 3.84 -1.26 -1.19 114.94 120.96 2jtq s ASN 71 Ca 0.01 0.62 0.18 0.00 0.21 0.00 0.00 52.86 53.88 2jtq s ASN 71 Cb -0.03 -2.22 0.38 0.00 -0.55 0.00 0.00 41.25 38.83 2jtq s ASN 71 CO -0.00 0.08 1.25 0.00 -2.79 0.00 0.00 177.10 175.64 2jtq n ALA 72 N 3.54 2.55 -0.69 1.71 0.00 -0.13 -4.93 120.51 122.57 2jtq n ALA 72 Ca -0.10 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.81 2jtq n ALA 72 Cb 0.52 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.10 2.43 3.82 0.00 0.00 -1.26 -4.61 105.19 104.47 2jtq n GLY 73 Ca 0.18 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 0.03 0.52 -0.02 0.00 -1.05 -1.56 107.32 105.24 2jtq s GLY 74 Ca 0.00 -0.26 0.28 0.00 0.00 0.00 0.00 44.72 44.73 2jtq s GLY 74 CO 0.00 0.87 1.92 1.41 0.00 0.00 0.00 173.10 177.29 2jtq h LEU 75 N 2.00 0.06 -0.57 0.66 -0.00 -1.42 0.24 115.31 116.29 2jtq h LEU 75 Ca -0.27 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2jtq h LEU 75 Cb 1.23 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 2jtq h LEU 75 CO 0.32 0.02 0.00 0.29 -0.00 0.00 0.00 178.44 179.08 2jtq n LYS 76 N -4.33 0.20 0.00 1.13 5.02 -1.25 -3.72 118.16 115.21 2jtq n LYS 76 Ca 0.16 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 2jtq n LYS 76 Cb 0.82 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2jtq n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jtq n ASP 77 N -2.23 2.30 -4.77 4.39 2.03 0.00 -5.05 116.55 113.22 2jtq n ASP 77 Ca 0.03 -0.11 -0.40 0.00 0.52 0.00 0.00 54.79 54.83 2jtq n ASP 77 Cb 0.27 0.69 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 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 -1.15 2.46 -0.52 5.18 1.01 -0.75 -4.96 121.20 122.47 2jtq s ILE 78 Ca 0.00 0.42 0.06 0.00 0.00 0.00 0.00 60.65 61.13 2jtq s ILE 78 Cb 0.00 -3.25 0.37 0.00 0.01 0.00 0.00 42.46 39.59 2jtq s ILE 78 CO 0.00 0.06 0.97 0.00 0.00 0.00 0.00 174.94 175.98 2jtq n ALA 79 N 0.08 4.53 -3.05 9.38 0.00 -1.26 -4.99 120.51 125.20 2jtq n ALA 79 Ca 0.04 -4.46 -0.12 0.00 0.00 0.00 0.00 53.44 48.90 2jtq n ALA 79 Cb 0.43 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 19.06 2jtq n ALA 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2jtq s MET 80 N -3.40 0.25 0.76 0.00 0.00 -1.26 -5.15 119.30 110.49 2jtq s MET 80 Ca 0.47 0.06 -0.15 0.00 0.00 0.00 0.00 55.69 56.07 2jtq s MET 80 Cb 0.32 0.11 0.02 0.00 0.00 0.00 0.00 34.83 35.28 2jtq s MET 80 CO -0.14 -0.04 0.92 -0.35 0.00 0.00 0.00 175.02 175.40 2jtq n PRO 81 N 2.64 0.34 -4.15 4.11 -0.04 -1.26 -4.84 135.00 131.80 2jtq n PRO 81 Ca -0.15 0.17 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 2jtq n PRO 81 Cb 0.58 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.78 2jtq n PRO 81 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jtq s LYS 82 N -3.46 2.25 -0.01 0.54 -0.14 -1.26 -1.06 119.74 116.60 2jtq s LYS 82 Ca 0.71 -1.71 0.04 0.00 -1.36 0.00 0.00 55.97 53.65 2jtq s LYS 82 Cb -0.32 -2.05 -0.01 0.00 -1.68 0.00 0.00 37.83 33.77 2jtq s LYS 82 CO 0.53 0.02 -0.11 0.08 -0.76 0.00 0.00 175.35 175.10 2jtq s VAL 83 N -2.52 0.90 0.08 3.17 1.01 0.08 -4.65 120.40 118.48 2jtq s VAL 83 Ca 0.39 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2jtq s VAL 83 Cb 0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2jtq s VAL 83 CO 0.22 0.24 -0.12 -0.54 0.00 0.00 0.00 175.10 174.89 2jtq s LYS 84 N -0.32 0.82 0.00 2.72 1.02 -1.26 -1.09 119.74 121.63 2jtq s LYS 84 Ca 0.04 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.01 2jtq s LYS 84 Cb -0.05 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 2jtq s LYS 84 CO -0.00 0.14 0.42 0.41 -0.92 0.00 0.00 175.35 175.40