#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtr s GLU 2 N 0.00 1.16 -0.05 0.00 -1.05 -1.26 -3.34 118.70 114.16 2jtr s GLU 2 Ca 0.00 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 53.63 2jtr s GLU 2 Cb 0.00 0.37 0.03 0.00 -0.44 0.00 0.00 34.13 34.09 2jtr s GLU 2 CO 0.00 -0.42 -0.02 -1.01 0.95 0.00 0.00 175.26 174.76 2jtr s HIS 3 N -3.98 0.59 -0.23 4.83 3.76 -1.01 -4.99 115.29 114.26 2jtr s HIS 3 Ca 0.18 -0.13 -0.20 0.00 -0.15 0.00 0.00 55.06 54.76 2jtr s HIS 3 Cb 0.03 -0.63 -0.02 0.00 1.11 0.00 0.00 32.58 33.07 2jtr s HIS 3 CO 0.01 -0.21 0.60 -1.58 -0.85 0.00 0.00 174.74 172.70 2jtr s TRP 4 N 1.28 3.32 -0.23 1.40 0.52 -1.26 -0.85 118.94 123.12 2jtr s TRP 4 Ca -0.06 0.82 0.01 0.00 0.02 0.00 0.00 56.10 56.89 2jtr s TRP 4 Cb -0.13 -2.79 0.05 0.00 -1.15 0.00 0.00 33.47 29.45 2jtr s TRP 4 CO -0.02 -0.25 -0.09 0.42 0.02 0.00 0.00 176.95 177.04 2jtr s ILE 5 N 2.19 1.74 -0.00 2.03 1.01 -0.33 -1.56 121.20 126.28 2jtr s ILE 5 Ca 0.26 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 2jtr s ILE 5 Cb -0.16 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2jtr s ILE 5 CO 0.09 0.02 1.38 -0.62 0.00 0.00 0.00 174.94 175.81 2jtr s ASP 6 N 1.32 6.87 -0.05 3.58 -1.08 0.15 -2.69 116.67 124.77 2jtr s ASP 6 Ca -0.05 2.08 0.13 0.00 -0.52 0.00 0.00 52.55 54.20 2jtr s ASP 6 Cb -0.18 -2.56 0.39 0.00 -1.46 0.00 0.00 42.92 39.11 2jtr s ASP 6 CO -0.07 -0.70 1.32 1.33 0.52 0.00 0.00 175.17 177.58 2jtr n VAL 7 N 4.64 1.36 -1.02 1.11 0.24 -0.01 -1.64 118.33 123.00 2jtr n VAL 7 Ca 0.13 -1.23 -0.34 0.00 -2.04 0.00 0.00 64.34 60.86 2jtr n VAL 7 Cb 0.44 0.29 0.11 0.00 -1.47 0.00 0.00 33.84 33.21 2jtr n VAL 7 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jtr n ARG 8 N 0.32 0.02 -1.60 7.34 1.74 -1.26 -0.90 116.66 122.33 2jtr n ARG 8 Ca 0.15 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 2jtr n ARG 8 Cb 0.57 -2.05 0.01 0.00 -1.02 0.00 0.00 32.46 29.97 2jtr n ARG 8 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2jtr n VAL 9 N -3.17 2.39 0.02 1.55 0.24 -1.26 -3.98 118.33 114.12 2jtr n VAL 9 Ca 0.10 -0.50 0.04 0.00 -2.04 0.00 0.00 64.34 61.94 2jtr n VAL 9 Cb 0.51 -1.10 0.44 0.00 -1.47 0.00 0.00 33.84 32.21 2jtr n VAL 9 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jtr h PRO 10 N 1.50 0.50 -0.36 7.34 0.13 -1.97 -0.78 132.00 138.36 2jtr h PRO 10 Ca -0.44 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2jtr h PRO 10 Cb 1.34 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2jtr h PRO 10 CO 0.57 0.34 -0.23 1.49 -0.23 0.00 0.00 178.00 179.93 2jtr h GLU 11 N 0.51 0.72 0.02 0.86 4.81 -2.01 -3.06 114.58 116.44 2jtr h GLU 11 Ca 0.14 -0.29 -0.21 0.00 -0.13 0.00 0.00 59.36 58.87 2jtr h GLU 11 Cb -0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2jtr h GLU 11 CO -0.03 0.89 -0.96 0.37 -0.73 0.00 0.00 179.01 178.55 2jtr h GLN 12 N 0.63 0.19 -0.39 1.92 5.75 -1.51 -2.92 115.11 118.78 2jtr h GLN 12 Ca 0.09 -0.24 0.08 0.00 -0.15 0.00 0.00 58.65 58.43 2jtr h GLN 12 Cb 0.73 0.08 -0.08 0.00 1.07 0.00 0.00 27.48 29.28 2jtr h GLN 12 CO 0.06 1.01 -0.13 -0.92 -2.65 0.00 0.00 178.83 176.20 2jtr h TYR 13 N 0.09 -0.29 0.00 3.99 3.20 -1.35 -2.76 116.97 119.86 2jtr h TYR 13 Ca -0.06 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2jtr h TYR 13 Cb 1.62 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 40.08 2jtr h TYR 13 CO 0.03 -0.20 -0.09 1.96 -1.64 0.00 0.00 178.16 178.22 2jtr h GLN 14 N -0.04 0.00 -0.64 1.82 4.20 -1.41 -3.17 115.11 115.87 2jtr h GLN 14 Ca 0.19 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 2jtr h GLN 14 Cb 0.33 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 2jtr h GLN 14 CO -0.42 0.09 0.14 1.96 -0.67 0.00 0.00 178.83 179.92 2jtr h GLN 15 N 0.00 1.02 -1.00 1.46 1.08 -1.51 -2.01 115.11 114.14 2jtr h GLN 15 Ca -0.00 -0.24 0.21 0.00 -1.45 0.00 0.00 58.65 57.17 2jtr h GLN 15 Cb 0.25 -0.14 -0.34 0.00 -0.05 0.00 0.00 27.48 27.20 2jtr h GLN 15 CO 0.01 0.91 0.87 -2.00 -0.95 0.00 0.00 178.83 177.68 2jtr s GLU 16 N -5.24 0.00 0.12 1.46 2.12 -1.20 -4.73 118.70 111.24 2jtr s GLU 16 Ca -0.11 0.00 -0.07 0.00 0.36 0.00 0.00 54.97 55.15 2jtr s GLU 16 Cb 0.15 0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.53 2jtr s GLU 16 CO 0.83 -0.00 0.19 -3.38 -0.54 0.00 0.00 175.26 172.36 2jtr s HIS 17 N 0.48 0.39 0.09 5.30 -3.43 0.13 -4.84 115.29 113.41 2jtr s HIS 17 Ca 0.00 -0.80 -0.31 0.00 -0.80 0.00 0.00 55.06 53.16 2jtr s HIS 17 Cb -0.04 -0.15 -0.08 0.00 -1.43 0.00 0.00 32.58 30.88 2jtr s HIS 17 CO -0.13 -0.60 1.53 0.08 -2.00 0.00 0.00 174.74 173.62 2jtr s VAL 18 N -3.94 3.12 0.69 -5.38 1.01 -1.26 -1.09 120.40 113.56 2jtr s VAL 18 Ca 0.13 0.69 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 2jtr s VAL 18 Cb 0.05 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 33.00 2jtr s VAL 18 CO -0.05 0.02 1.26 0.00 0.00 0.00 0.00 175.10 176.34 2jtr s GLN 19 N 1.90 2.31 0.00 2.72 -2.07 -0.90 -3.32 119.66 120.30 2jtr s GLN 19 Ca 0.69 1.95 0.00 0.00 -1.82 0.00 0.00 55.36 56.18 2jtr s GLN 19 Cb -0.38 -1.83 0.00 0.00 -1.09 0.00 0.00 33.01 29.70 2jtr s GLN 19 CO 0.30 -1.75 0.00 0.41 -1.32 0.00 0.00 175.29 172.93 2jtr n GLY 20 N 0.73 2.73 3.73 2.60 0.00 -1.26 -5.03 105.19 108.69 2jtr n GLY 20 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2jtr n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtr s ALA 21 N -2.41 1.34 0.37 4.61 0.00 -1.21 -4.86 121.76 119.59 2jtr s ALA 21 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.41 2jtr s ALA 21 Cb 0.00 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 2jtr s ALA 21 CO 0.00 -2.72 0.13 -1.50 0.00 0.00 0.00 175.76 171.67 2jtr s ILE 22 N -3.19 2.67 -0.12 0.00 2.07 -0.60 -4.99 121.20 117.04 2jtr s ILE 22 Ca 0.66 -1.76 0.02 0.00 -1.41 0.00 0.00 60.65 58.17 2jtr s ILE 22 Cb -0.14 -2.94 0.01 0.00 0.13 0.00 0.00 42.46 39.52 2jtr s ILE 22 CO 0.55 -0.12 -0.19 0.21 -1.91 0.00 0.00 174.94 173.48 2jtr s ASN 23 N -3.84 2.74 -0.40 4.50 3.84 -1.26 -0.68 114.94 119.84 2jtr s ASN 23 Ca 0.38 -0.50 0.02 0.00 0.21 0.00 0.00 52.86 52.97 2jtr s ASN 23 Cb 0.00 -1.25 0.15 0.00 -0.55 0.00 0.00 41.25 39.60 2jtr s ASN 23 CO 0.22 0.06 0.26 -0.63 -2.79 0.00 0.00 177.10 174.22 2jtr s ILE 24 N 0.80 0.65 0.40 -5.21 1.01 -0.66 -4.97 121.20 113.22 2jtr s ILE 24 Ca -0.09 -2.24 -0.25 0.00 0.00 0.00 0.00 60.65 58.06 2jtr s ILE 24 Cb -0.16 -1.46 -0.11 0.00 0.01 0.00 0.00 42.46 40.74 2jtr s ILE 24 CO 0.00 -1.01 0.99 -2.65 0.00 0.00 0.00 174.94 172.27 2jtr n PRO 25 N 3.57 1.33 0.31 2.79 -0.02 -1.26 -4.37 135.00 137.35 2jtr n PRO 25 Ca 0.15 0.47 0.19 0.00 -2.02 0.00 0.00 63.50 62.29 2jtr n PRO 25 Cb 0.38 -1.99 1.00 0.00 -0.02 0.00 0.00 33.50 32.88 2jtr n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2jtr h LEU 26 N 1.60 0.00 -1.76 2.45 7.12 -1.22 0.21 115.31 123.70 2jtr h LEU 26 Ca -0.43 0.00 0.02 0.00 0.13 0.00 0.00 57.88 57.60 2jtr h LEU 26 Cb 1.34 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.46 2jtr h LEU 26 CO 0.57 0.00 0.19 0.50 -0.13 0.00 0.00 178.44 179.58 2jtr h LYS 27 N 0.00 0.31 0.00 1.25 3.64 -1.89 -3.35 116.57 116.52 2jtr h LYS 27 Ca 0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jtr h LYS 27 Cb 0.33 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2jtr h LYS 27 CO -0.00 0.20 0.00 -0.85 -2.27 0.00 0.00 179.45 176.53 2jtr n GLU 28 N -4.49 0.31 -0.31 1.90 0.28 0.29 -4.93 120.64 113.69 2jtr n GLU 28 Ca 0.02 -0.09 0.13 0.00 -0.16 0.00 0.00 57.16 57.06 2jtr n GLU 28 Cb 0.13 -0.49 0.36 0.00 1.43 0.00 0.00 31.44 32.87 2jtr n GLU 28 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 2jtr h VAL 29 N 0.54 0.77 -0.15 3.84 3.04 -0.87 -1.15 116.25 122.27 2jtr h VAL 29 Ca 0.00 -0.24 0.04 0.00 -1.01 0.00 0.00 66.70 65.49 2jtr h VAL 29 Cb 0.27 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.54 2jtr h VAL 29 CO 0.00 0.13 0.14 0.11 -1.01 0.00 0.00 177.57 176.94 2jtr h LYS 30 N 0.71 0.00 -0.00 4.17 1.57 -1.87 0.69 116.57 121.84 2jtr h LYS 30 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2jtr h LYS 30 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2jtr h LYS 30 CO -0.27 0.00 -0.45 0.39 -0.57 0.00 0.00 179.45 178.55 2jtr n GLU 31 N -4.06 0.35 0.00 3.15 1.02 -0.43 -4.55 120.64 116.11 2jtr n GLU 31 Ca 0.01 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 2jtr n GLU 31 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2jtr n GLU 31 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2jtr n ARG 32 N -1.13 3.43 -0.37 3.49 0.63 -0.57 -4.82 116.66 117.32 2jtr n ARG 32 Ca 0.08 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.00 2jtr n ARG 32 Cb 0.34 -0.31 0.13 0.00 0.45 0.00 0.00 32.46 33.08 2jtr n ARG 32 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 2jtr h ILE 33 N 0.00 1.19 -0.29 5.15 6.09 -1.15 -1.81 117.51 126.69 2jtr h ILE 33 Ca 0.00 -0.44 -0.03 0.00 -1.37 0.00 0.00 64.86 63.03 2jtr h ILE 33 Cb 0.00 -0.20 -0.02 0.00 0.47 0.00 0.00 36.82 37.08 2jtr h ILE 33 CO 0.00 0.23 0.07 0.00 -3.07 0.00 0.00 178.15 175.39 2jtr h ALA 34 N 1.40 1.58 -0.29 0.18 0.00 -1.83 0.99 119.26 121.30 2jtr h ALA 34 Ca 0.39 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2jtr h ALA 34 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2jtr h ALA 34 CO -0.11 0.32 -0.17 1.15 0.00 0.00 0.00 179.25 180.43 2jtr h THR 35 N 0.42 1.30 0.00 0.00 2.02 -1.66 -2.71 112.91 112.28 2jtr h THR 35 Ca 0.10 -1.29 -0.25 0.00 0.77 0.00 0.00 66.41 65.74 2jtr h THR 35 Cb 0.16 1.52 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2jtr h THR 35 CO -0.00 0.41 -1.01 0.00 0.37 0.00 0.00 175.52 175.29 2jtr h ALA 36 N 0.73 0.22 -2.38 6.16 0.00 -0.93 -3.40 119.26 119.66 2jtr h ALA 36 Ca 0.06 -0.71 -0.59 0.00 0.00 0.00 0.00 54.91 53.67 2jtr h ALA 36 Cb 0.71 0.03 -0.38 0.00 0.00 0.00 0.00 17.79 18.14 2jtr h ALA 36 CO 0.05 0.74 -0.96 0.28 0.00 0.00 0.00 179.25 179.36 2jtr n VAL 37 N -3.81 -0.93 0.14 0.00 0.31 0.30 -4.98 118.33 109.37 2jtr n VAL 37 Ca -0.09 -3.60 -0.01 0.00 -0.01 0.00 0.00 64.34 60.63 2jtr n VAL 37 Cb 0.87 -1.72 0.22 0.00 -0.91 0.00 0.00 33.84 32.29 2jtr n VAL 37 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jtr h PRO 38 N 5.46 0.03 -5.95 5.55 0.13 -1.68 -3.40 132.00 132.13 2jtr h PRO 38 Ca 0.24 -0.02 -0.59 0.00 -0.87 0.00 0.00 66.00 64.77 2jtr h PRO 38 Cb 0.89 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.91 2jtr h PRO 38 CO 0.41 0.56 0.76 0.34 -0.23 0.00 0.00 178.00 179.84 2jtr s ASP 39 N -6.88 6.24 0.40 1.44 2.15 -1.26 -4.90 116.67 113.86 2jtr s ASP 39 Ca -0.02 -0.56 0.28 0.00 0.43 0.00 0.00 52.55 52.68 2jtr s ASP 39 Cb 0.13 -2.48 1.43 0.00 -0.30 0.00 0.00 42.92 41.70 2jtr s ASP 39 CO 0.76 -1.52 1.85 0.11 -0.17 0.00 0.00 175.17 176.20 2jtr h LYS 40 N 9.65 0.00 0.00 4.34 1.57 -1.93 -1.61 116.57 128.59 2jtr h LYS 40 Ca -0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2jtr h LYS 40 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 2jtr h LYS 40 CO 1.19 0.00 -0.01 -0.97 -0.57 0.00 0.00 179.45 179.09 2jtr h ASN 41 N 0.00 0.00 -3.99 0.86 -1.24 -1.91 -3.26 115.58 106.03 2jtr h ASN 41 Ca 0.00 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.54 2jtr h ASN 41 Cb 0.11 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.17 2jtr h ASN 41 CO 0.00 0.01 0.38 -0.62 -1.29 0.00 0.00 177.43 175.91 2jtr s ASP 42 N -6.07 6.80 0.48 1.15 2.15 -0.61 -4.84 116.67 115.73 2jtr s ASP 42 Ca 0.05 1.91 -0.22 0.00 0.43 0.00 0.00 52.55 54.72 2jtr s ASP 42 Cb 0.06 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 40.04 2jtr s ASP 42 CO 0.64 -0.46 1.13 -0.89 -0.17 0.00 0.00 175.17 175.42 2jtr s THR 43 N -1.83 3.26 0.00 1.71 2.01 -1.21 -4.68 115.64 114.90 2jtr s THR 43 Ca 0.59 0.89 0.01 0.00 0.31 0.00 0.00 61.69 63.49 2jtr s THR 43 Cb -0.18 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 2jtr s THR 43 CO 0.22 -0.07 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.36 2jtr s VAL 44 N -1.66 0.24 -0.12 3.82 1.01 -0.13 -2.41 120.40 121.15 2jtr s VAL 44 Ca 0.66 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2jtr s VAL 44 Cb -0.25 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 35.92 2jtr s VAL 44 CO 0.30 -0.02 -0.11 -0.54 0.00 0.00 0.00 175.10 174.73 2jtr s LYS 45 N -0.29 1.94 -0.05 2.72 1.02 -0.03 -2.13 119.74 122.92 2jtr s LYS 45 Ca -0.01 -0.42 0.04 0.00 0.02 0.00 0.00 55.97 55.59 2jtr s LYS 45 Cb -0.02 -1.83 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 2jtr s LYS 45 CO -0.00 -0.21 -0.14 0.14 -0.92 0.00 0.00 175.35 174.21 2jtr s VAL 46 N 1.48 3.05 0.16 3.17 -7.23 -0.49 -1.19 120.40 119.34 2jtr s VAL 46 Ca 0.03 -0.74 -0.08 0.00 -1.81 0.00 0.00 61.98 59.38 2jtr s VAL 46 Cb -0.13 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 2jtr s VAL 46 CO -0.08 0.59 0.27 -0.72 -0.31 0.00 0.00 175.10 174.84 2jtr s TYR 47 N -0.74 0.42 0.00 2.82 1.13 -1.10 -1.13 117.35 118.76 2jtr s TYR 47 Ca 0.12 -0.79 0.00 0.00 -1.41 0.00 0.00 57.07 54.99 2jtr s TYR 47 Cb -0.11 -0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.67 2jtr s TYR 47 CO 0.01 -0.70 0.00 0.00 -2.51 0.00 0.00 175.55 172.34 2jtr h ASN 49 N 0.00 0.12 0.00 0.00 -0.00 -1.93 0.17 115.58 113.94 2jtr h ASN 49 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 56.30 56.15 2jtr h ASN 49 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 38.29 2jtr h ASN 49 CO 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 177.43 177.67 2jtr n ALA 50 N -2.20 0.16 0.00 1.57 0.00 -1.26 -1.63 120.51 117.16 2jtr n ALA 50 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jtr n ALA 50 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2jtr n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtr n GLY 51 N 0.04 0.60 0.42 0.00 0.00 -1.26 -4.44 105.19 100.55 2jtr n GLY 51 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2jtr n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jtr h ARG 52 N 0.00 -0.91 -0.36 1.61 3.08 -1.97 0.23 114.38 116.06 2jtr h ARG 52 Ca 0.00 0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.12 2jtr h ARG 52 Cb 0.00 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2jtr h ARG 52 CO 0.00 -0.61 0.24 1.96 -1.07 0.00 0.00 179.97 180.49 2jtr h GLN 53 N -0.95 0.47 0.20 0.04 7.50 -1.95 -0.20 115.11 120.23 2jtr h GLN 53 Ca -0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 2jtr h GLN 53 Cb 0.78 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.20 2jtr h GLN 53 CO 0.06 0.31 -0.10 0.77 -1.50 0.00 0.00 178.83 178.37 2jtr h SER 54 N 0.48 -0.23 -0.39 1.46 0.02 -1.64 0.52 113.55 113.77 2jtr h SER 54 Ca 0.13 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 2jtr h SER 54 Cb -0.04 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2jtr h SER 54 CO -0.03 0.02 -0.07 1.23 -1.14 0.00 0.00 176.83 176.83 2jtr h GLY 55 N -0.48 0.80 0.49 -3.77 0.00 -0.59 0.34 103.07 99.85 2jtr h GLY 55 Ca -0.03 -0.64 0.07 0.00 0.00 0.00 0.00 47.33 46.73 2jtr h GLY 55 CO 0.05 0.59 0.11 1.46 0.00 0.00 0.00 176.54 178.74 2jtr h GLN 56 N 0.55 0.25 -0.13 4.80 4.20 -1.05 -0.48 115.11 123.24 2jtr h GLN 56 Ca 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2jtr h GLN 56 Cb 0.58 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2jtr h GLN 56 CO 0.03 0.16 0.04 0.00 -0.67 0.00 0.00 178.83 178.39 2jtr h ALA 57 N 1.32 0.17 -0.75 3.87 0.00 -0.59 -2.48 119.26 120.80 2jtr h ALA 57 Ca 0.21 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2jtr h ALA 57 Cb 0.25 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2jtr h ALA 57 CO -0.26 -0.21 0.45 -0.22 0.00 0.00 0.00 179.25 179.01 2jtr h LYS 58 N 0.02 0.81 0.30 0.00 3.11 -0.50 -0.43 116.57 119.87 2jtr h LYS 58 Ca 0.04 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2jtr h LYS 58 Cb 0.23 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 2jtr h LYS 58 CO -0.00 0.54 -0.14 0.93 -2.81 0.00 0.00 179.45 177.96 2jtr h GLU 59 N 0.83 -0.39 -0.27 1.90 5.08 -1.01 -1.18 114.58 119.54 2jtr h GLU 59 Ca 0.33 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.62 2jtr h GLU 59 Cb 0.15 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2jtr h GLU 59 CO -0.17 -0.18 -0.24 -0.84 -1.00 0.00 0.00 179.01 176.58 2jtr h ILE 60 N -0.52 1.26 -0.23 3.13 3.07 -1.13 -1.12 117.51 121.97 2jtr h ILE 60 Ca -0.04 -1.26 -0.13 0.00 1.55 0.00 0.00 64.86 64.98 2jtr h ILE 60 Cb 0.39 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 38.25 2jtr h ILE 60 CO 0.07 0.40 -0.40 -0.07 -1.05 0.00 0.00 178.15 177.10 2jtr h LEU 61 N 0.45 0.57 -0.61 0.16 3.38 -1.04 0.11 115.31 118.33 2jtr h LEU 61 Ca 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2jtr h LEU 61 Cb 0.66 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2jtr h LEU 61 CO 0.05 0.91 0.31 0.28 0.09 0.00 0.00 178.44 180.08 2jtr h SER 62 N 0.44 0.78 -0.51 -0.43 0.02 -0.80 -1.37 113.55 111.69 2jtr h SER 62 Ca 0.04 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 2jtr h SER 62 Cb 0.89 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 2jtr h SER 62 CO 0.08 0.68 0.04 -0.08 -1.14 0.00 0.00 176.83 176.40 2jtr h GLU 63 N 0.83 0.92 0.00 3.45 4.81 -0.77 -2.04 114.58 121.78 2jtr h GLU 63 Ca 0.21 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2jtr h GLU 63 Cb 0.09 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2jtr h GLU 63 CO -0.03 0.89 0.00 -1.33 -0.73 0.00 0.00 179.01 177.81 2jtr n MET 64 N -4.21 0.14 0.00 1.92 2.81 0.35 -4.87 117.12 113.26 2jtr n MET 64 Ca 0.03 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2jtr n MET 64 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 2jtr n MET 64 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jtr n GLY 65 N -0.02 0.81 3.77 3.03 0.00 -0.77 -5.06 105.19 106.95 2jtr n GLY 65 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2jtr n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtr s TYR 66 N -2.00 3.10 0.00 1.61 1.51 -0.57 -4.93 117.35 116.07 2jtr s TYR 66 Ca 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 2jtr s TYR 66 Cb 0.00 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.42 2jtr s TYR 66 CO 0.00 -1.34 0.81 0.25 -1.11 0.00 0.00 175.55 174.16 2jtr n THR 67 N 0.25 0.65 -2.71 -0.71 -2.24 -1.23 -4.12 114.28 104.16 2jtr n THR 67 Ca 0.03 -0.76 0.01 0.00 -2.27 0.00 0.00 64.05 61.06 2jtr n THR 67 Cb 0.46 0.71 0.04 0.00 -2.10 0.00 0.00 70.33 69.44 2jtr n THR 67 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2jtr n HIS 68 N -0.32 0.74 -4.14 4.78 8.25 -1.26 -5.07 115.22 118.20 2jtr n HIS 68 Ca 0.00 -1.57 -0.34 0.00 -0.26 0.00 0.00 57.72 55.55 2jtr n HIS 68 Cb 0.22 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 2jtr n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jtr s VAL 69 N -2.41 4.52 0.01 1.59 1.01 -1.26 -0.95 120.40 122.91 2jtr s VAL 69 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2jtr s VAL 69 Cb 0.34 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2jtr s VAL 69 CO -0.08 0.48 -0.01 -0.70 0.00 0.00 0.00 175.10 174.79 2jtr s GLU 70 N 0.24 0.26 -0.32 2.72 2.56 -0.90 -4.99 118.70 118.27 2jtr s GLU 70 Ca 0.02 -0.47 -0.29 0.00 0.00 0.00 0.00 54.97 54.23 2jtr s GLU 70 Cb -0.13 0.10 0.01 0.00 2.00 0.00 0.00 34.13 36.11 2jtr s GLU 70 CO 0.01 -0.04 1.14 1.21 -0.56 0.00 0.00 175.26 177.02 2jtr s ASN 71 N -1.16 6.85 0.17 -1.70 3.04 -1.26 -1.40 114.94 119.47 2jtr s ASN 71 Ca -0.13 1.09 -0.06 0.00 0.04 0.00 0.00 52.86 53.80 2jtr s ASN 71 Cb -0.08 -2.54 0.04 0.00 -1.54 0.00 0.00 41.25 37.12 2jtr s ASN 71 CO -0.01 -0.94 1.46 0.00 -3.04 0.00 0.00 177.10 174.57 2jtr h ALA 72 N 8.45 0.60 0.00 1.71 0.00 -1.46 -3.47 119.26 125.08 2jtr h ALA 72 Ca -0.22 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2jtr h ALA 72 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jtr h ALA 72 CO 1.04 0.69 0.00 0.41 0.00 0.00 0.00 179.25 181.39 2jtr n GLY 73 N 0.35 -0.27 3.54 0.00 0.00 -1.25 -4.97 105.19 102.58 2jtr n GLY 73 Ca -0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 2jtr n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtr s GLY 74 N 0.00 0.49 0.37 -0.02 0.00 -1.26 -3.72 107.32 103.19 2jtr s GLY 74 Ca 0.00 -0.84 0.11 0.00 0.00 0.00 0.00 44.72 43.99 2jtr s GLY 74 CO 0.00 -0.64 1.87 -2.00 0.00 0.00 0.00 173.10 172.33 2jtr h LEU 75 N 2.30 0.58 -2.16 0.66 7.12 -0.22 0.51 115.31 124.10 2jtr h LEU 75 Ca -0.27 0.04 0.05 0.00 0.13 0.00 0.00 57.88 57.82 2jtr h LEU 75 Cb 1.25 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.30 2jtr h LEU 75 CO 0.38 0.29 0.29 0.50 -0.13 0.00 0.00 178.44 179.76 2jtr h LYS 76 N 0.61 0.00 0.00 1.25 3.64 -1.56 -3.33 116.57 117.18 2jtr h LYS 76 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 2jtr h LYS 76 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2jtr h LYS 76 CO -0.19 0.00 -0.44 -3.47 -2.27 0.00 0.00 179.45 173.07 2jtr n ASP 77 N -3.38 2.11 -4.69 4.20 2.03 -0.04 -5.05 116.55 111.73 2jtr n ASP 77 Ca 0.01 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.90 2jtr n ASP 77 Cb 0.39 0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 2jtr n ASP 77 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jtr s ILE 78 N -1.44 2.96 -1.84 5.18 1.01 -0.03 -4.90 121.20 122.12 2jtr s ILE 78 Ca 0.00 0.48 0.26 0.00 0.00 0.00 0.00 60.65 61.39 2jtr s ILE 78 Cb 0.00 -3.31 0.27 0.00 0.01 0.00 0.00 42.46 39.44 2jtr s ILE 78 CO 0.00 0.01 1.55 0.00 0.00 0.00 0.00 174.94 176.49 2jtr n ALA 79 N 5.29 3.07 -1.32 9.38 0.00 -1.26 -4.91 120.51 130.77 2jtr n ALA 79 Ca 0.15 -0.43 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 2jtr n ALA 79 Cb 0.40 -1.11 0.10 0.00 0.00 0.00 0.00 19.45 18.84 2jtr n ALA 79 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jtr s MET 80 N -2.45 2.05 0.71 0.00 -1.94 -1.26 -4.97 119.30 111.43 2jtr s MET 80 Ca 0.25 1.76 -0.16 0.00 -1.71 0.00 0.00 55.69 55.82 2jtr s MET 80 Cb 0.19 -1.82 -0.02 0.00 2.01 0.00 0.00 34.83 35.19 2jtr s MET 80 CO 0.51 -1.90 0.78 -2.30 -0.01 0.00 0.00 175.02 172.09 2jtr n PRO 81 N -2.83 0.44 -4.29 2.03 -0.02 -1.26 -4.90 135.00 124.17 2jtr n PRO 81 Ca 0.13 0.20 -0.19 0.00 -2.02 0.00 0.00 63.50 61.63 2jtr n PRO 81 Cb 0.50 -2.04 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 2jtr n PRO 81 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jtr s LYS 82 N -3.02 1.18 0.15 -0.52 -0.14 -1.26 -2.11 119.74 114.01 2jtr s LYS 82 Ca 0.70 -1.40 -0.06 0.00 -1.36 0.00 0.00 55.97 53.85 2jtr s LYS 82 Cb -0.36 -1.04 -0.02 0.00 -1.68 0.00 0.00 37.83 34.74 2jtr s LYS 82 CO 0.53 0.19 0.19 0.14 -0.76 0.00 0.00 175.35 175.64 2jtr s VAL 83 N -2.48 0.09 0.20 3.17 -7.23 -0.25 -4.79 120.40 109.11 2jtr s VAL 83 Ca 0.15 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2jtr s VAL 83 Cb -0.03 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2jtr s VAL 83 CO 0.05 -0.39 0.09 -1.59 -0.31 0.00 0.00 175.10 172.95 2jtr s LYS 84 N -3.99 1.21 0.00 4.82 -2.85 -1.26 -0.70 119.74 116.97 2jtr s LYS 84 Ca 0.19 -1.63 0.00 0.00 -1.00 0.00 0.00 55.97 53.53 2jtr s LYS 84 Cb 0.05 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 2jtr s LYS 84 CO -0.00 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.55