#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 0.84 -0.06 0.00 -1.05 -1.26 -1.39 118.70 115.77 2jtr s GLU 2 Ca 0.00 -1.14 -0.02 0.00 -0.15 0.00 0.00 54.97 53.65 2jtr s GLU 2 Cb 0.00 0.29 0.04 0.00 -0.44 0.00 0.00 34.13 34.02 2jtr s GLU 2 CO 0.00 -0.24 0.12 -1.01 0.95 0.00 0.00 175.26 175.08 2jtr s HIS 3 N -3.92 -0.12 -0.34 4.83 3.76 -0.90 -4.90 115.29 113.69 2jtr s HIS 3 Ca 0.10 0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 55.21 2jtr s HIS 3 Cb 0.06 -0.12 -0.00 0.00 1.11 0.00 0.00 32.58 33.63 2jtr s HIS 3 CO -0.07 -0.15 0.65 -1.58 -0.85 0.00 0.00 174.74 172.74 2jtr s TRP 4 N 1.17 3.17 -0.25 1.40 0.52 -1.26 -1.06 118.94 122.63 2jtr s TRP 4 Ca -0.09 0.46 0.01 0.00 0.02 0.00 0.00 56.10 56.50 2jtr s TRP 4 Cb -0.12 -3.12 0.07 0.00 -1.15 0.00 0.00 33.47 29.15 2jtr s TRP 4 CO -0.05 -0.58 -0.03 0.42 0.02 0.00 0.00 176.95 176.72 2jtr s ILE 5 N 2.72 1.58 0.29 2.03 1.01 -0.35 -1.49 121.20 126.98 2jtr s ILE 5 Ca 0.26 -1.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.25 2jtr s ILE 5 Cb -0.14 -1.89 -0.10 0.00 0.01 0.00 0.00 42.46 40.33 2jtr s ILE 5 CO 0.14 -0.19 1.31 -0.62 0.00 0.00 0.00 174.94 175.57 2jtr s ASP 6 N 1.35 6.83 0.00 3.58 -1.08 0.17 -3.02 116.67 124.50 2jtr s ASP 6 Ca -0.03 2.59 0.03 0.00 -0.52 0.00 0.00 52.55 54.62 2jtr s ASP 6 Cb -0.19 -2.63 0.07 0.00 -1.46 0.00 0.00 42.92 38.71 2jtr s ASP 6 CO -0.08 -0.52 0.93 1.33 0.52 0.00 0.00 175.17 177.35 2jtr n VAL 7 N 1.47 0.69 -0.63 1.11 0.24 -0.09 -1.21 118.33 119.90 2jtr n VAL 7 Ca 0.02 -0.84 -0.30 0.00 -2.04 0.00 0.00 64.34 61.18 2jtr n VAL 7 Cb 0.42 0.68 0.19 0.00 -1.47 0.00 0.00 33.84 33.66 2jtr n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jtr s ARG 8 N -0.78 0.47 0.63 7.34 1.70 -1.26 -1.28 118.95 125.77 2jtr s ARG 8 Ca 0.06 1.39 -0.18 0.00 -0.47 0.00 0.00 55.73 56.52 2jtr s ARG 8 Cb 0.03 -1.68 -0.03 0.00 -0.57 0.00 0.00 34.95 32.71 2jtr s ARG 8 CO 0.05 -2.95 1.20 1.33 -1.08 0.00 0.00 175.30 173.84 2jtr n VAL 9 N -4.44 4.49 0.14 4.99 0.24 -1.26 -4.19 118.33 118.30 2jtr n VAL 9 Ca 0.10 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 61.93 2jtr n VAL 9 Cb 0.53 -1.41 0.41 0.00 -1.47 0.00 0.00 33.84 31.90 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 0.60 0.18 0.00 7.34 0.13 -1.98 -0.81 132.00 137.46 2jtr h PRO 10 Ca -0.50 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.55 2jtr h PRO 10 Cb 1.34 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2jtr h PRO 10 CO 0.53 0.33 -0.20 0.93 -0.23 0.00 0.00 178.00 179.36 2jtr h GLU 11 N 0.17 0.00 0.13 0.86 5.08 -2.00 -2.86 114.58 115.95 2jtr h GLU 11 Ca 0.03 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.07 2jtr h GLU 11 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2jtr h GLU 11 CO 0.02 0.20 -1.70 1.96 -1.00 0.00 0.00 179.01 178.49 2jtr h GLN 12 N 0.00 0.27 -0.70 2.33 4.20 -1.51 -3.33 115.11 116.37 2jtr h GLN 12 Ca -0.00 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2jtr h GLN 12 Cb 0.58 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 2jtr h GLN 12 CO 0.03 1.13 0.45 -0.92 -0.67 0.00 0.00 178.83 178.84 2jtr h TYR 13 N 0.07 0.88 0.00 2.96 3.20 -1.33 -0.76 116.97 121.99 2jtr h TYR 13 Ca -0.31 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 2jtr h TYR 13 Cb 2.04 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 40.02 2jtr h TYR 13 CO 0.07 0.57 -0.02 1.96 -1.64 0.00 0.00 178.16 179.10 2jtr h GLN 14 N 0.95 0.00 0.08 1.82 4.20 -1.63 -3.00 115.11 117.53 2jtr h GLN 14 Ca 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 2jtr h GLN 14 Cb -0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2jtr h GLN 14 CO -0.05 0.02 -0.04 1.96 -0.67 0.00 0.00 178.83 180.04 2jtr h GLN 15 N 0.00 -0.10 -2.01 1.46 1.08 -1.25 -3.39 115.11 110.91 2jtr h GLN 15 Ca -0.00 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2jtr h GLN 15 Cb 0.31 0.02 -0.19 0.00 -0.05 0.00 0.00 27.48 27.57 2jtr h GLN 15 CO 0.00 0.40 0.39 -1.83 -0.95 0.00 0.00 178.83 176.85 2jtr s GLU 16 N -2.69 0.86 0.28 1.46 -1.05 -1.13 -1.19 118.70 115.24 2jtr s GLU 16 Ca -0.12 0.02 -0.20 0.00 -0.15 0.00 0.00 54.97 54.52 2jtr s GLU 16 Cb -0.01 0.40 0.06 0.00 -0.44 0.00 0.00 34.13 34.14 2jtr s GLU 16 CO 0.44 -0.31 0.87 -3.38 0.95 0.00 0.00 175.26 173.83 2jtr s HIS 17 N -1.86 0.02 0.42 4.83 -3.43 -0.77 -4.45 115.29 110.04 2jtr s HIS 17 Ca -0.03 -0.54 -0.24 0.00 -0.80 0.00 0.00 55.06 53.45 2jtr s HIS 17 Cb -0.00 0.75 -0.08 0.00 -1.43 0.00 0.00 32.58 31.82 2jtr s HIS 17 CO 0.00 -1.24 1.16 0.08 -2.00 0.00 0.00 174.74 172.75 2jtr s VAL 18 N -2.67 3.16 0.51 -5.38 1.01 -1.26 -0.91 120.40 114.85 2jtr s VAL 18 Ca 0.16 0.93 -0.22 0.00 0.00 0.00 0.00 61.98 62.84 2jtr s VAL 18 Cb -0.04 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 2jtr s VAL 18 CO 0.08 0.05 1.31 -1.58 0.00 0.00 0.00 175.10 174.95 2jtr s GLN 19 N -2.45 3.37 -0.84 2.72 0.74 -0.26 -3.93 119.66 119.01 2jtr s GLN 19 Ca 0.59 2.12 -0.02 0.00 0.05 0.00 0.00 55.36 58.10 2jtr s GLN 19 Cb -0.30 -2.34 0.00 0.00 1.10 0.00 0.00 33.01 31.48 2jtr s GLN 19 CO 0.37 -0.97 0.71 0.41 -0.55 0.00 0.00 175.29 175.26 2jtr n GLY 20 N 0.64 -0.08 3.27 2.59 0.00 -1.26 -4.96 105.19 105.40 2jtr n GLY 20 Ca 0.09 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.23 1.67 0.43 4.61 0.00 -1.25 -4.74 121.76 119.25 2jtr s ALA 21 Ca 0.14 -1.98 0.03 0.00 0.00 0.00 0.00 51.96 50.15 2jtr s ALA 21 Cb -0.06 1.45 -0.03 0.00 0.00 0.00 0.00 23.12 24.48 2jtr s ALA 21 CO 0.49 -0.65 0.08 -1.50 0.00 0.00 0.00 175.76 174.17 2jtr s ILE 22 N -3.60 0.92 -0.03 0.00 2.07 -0.56 -5.03 121.20 114.98 2jtr s ILE 22 Ca 0.40 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.66 2jtr s ILE 22 Cb 0.03 -2.39 0.01 0.00 0.13 0.00 0.00 42.46 40.24 2jtr s ILE 22 CO 0.24 0.00 -0.08 0.21 -1.91 0.00 0.00 174.94 173.40 2jtr s ASN 23 N -3.68 1.16 -0.37 4.50 3.84 -1.26 -0.65 114.94 118.48 2jtr s ASN 23 Ca 0.21 -0.18 0.01 0.00 0.21 0.00 0.00 52.86 53.11 2jtr s ASN 23 Cb 0.04 -0.38 0.14 0.00 -0.55 0.00 0.00 41.25 40.50 2jtr s ASN 23 CO 0.11 0.04 0.22 -0.63 -2.79 0.00 0.00 177.10 174.05 2jtr s ILE 24 N 0.37 0.37 0.67 -5.21 1.01 -0.35 -4.93 121.20 113.13 2jtr s ILE 24 Ca -0.06 -1.91 -0.17 0.00 0.00 0.00 0.00 60.65 58.52 2jtr s ILE 24 Cb -0.10 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 2jtr s ILE 24 CO 0.01 -0.99 0.76 -2.65 0.00 0.00 0.00 174.94 172.07 2jtr n PRO 25 N 3.89 0.53 -0.24 2.79 -0.02 -1.26 -4.33 135.00 136.36 2jtr n PRO 25 Ca 0.12 0.23 0.21 0.00 -2.02 0.00 0.00 63.50 62.04 2jtr n PRO 25 Cb 0.37 -2.00 0.56 0.00 -0.02 0.00 0.00 33.50 32.41 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 -0.04 0.33 -0.94 2.45 5.85 -1.41 0.12 115.31 121.66 2jtr h LEU 26 Ca -0.47 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2jtr h LEU 26 Cb 1.36 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2jtr h LEU 26 CO 0.46 0.12 0.00 0.11 -0.34 0.00 0.00 178.44 178.79 2jtr h LYS 27 N 0.32 0.00 0.00 1.25 1.79 -1.90 -3.34 116.57 114.70 2jtr h LYS 27 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 2jtr h LYS 27 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2jtr h LYS 27 CO -0.15 0.00 -0.74 0.39 -1.08 0.00 0.00 179.45 177.87 2jtr n GLU 28 N -2.45 2.13 -0.17 3.15 -0.58 0.16 -4.84 120.64 118.05 2jtr n GLU 28 Ca 0.02 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.88 2jtr n GLU 28 Cb 0.24 -0.87 0.46 0.00 -0.57 0.00 0.00 31.44 30.70 2jtr n GLU 28 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2jtr h VAL 29 N 0.00 0.85 -0.19 2.62 3.04 -1.01 -1.01 116.25 120.56 2jtr h VAL 29 Ca 0.00 -0.17 0.06 0.00 -1.01 0.00 0.00 66.70 65.57 2jtr h VAL 29 Cb 0.30 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 29.87 2jtr h VAL 29 CO 0.00 0.09 0.22 0.11 -1.01 0.00 0.00 177.57 176.98 2jtr h LYS 30 N 0.50 0.00 -0.02 4.17 1.57 -1.86 -0.13 116.57 120.81 2jtr h LYS 30 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2jtr h LYS 30 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2jtr h LYS 30 CO -0.12 0.00 -0.04 0.39 -0.57 0.00 0.00 179.45 179.11 2jtr n GLU 31 N -3.76 1.05 0.00 3.15 1.02 -0.39 -4.76 120.64 116.96 2jtr n GLU 31 Ca 0.02 -1.23 0.00 0.00 -0.02 0.00 0.00 57.16 55.93 2jtr n GLU 31 Cb 0.34 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.63 3.08 -0.08 3.49 0.63 -0.59 -4.76 116.66 119.05 2jtr n ARG 32 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2jtr n ARG 32 Cb 0.33 -0.58 0.28 0.00 0.45 0.00 0.00 32.46 32.94 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 1.18 0.00 5.15 6.09 -1.35 -0.22 117.51 128.36 2jtr h ILE 33 Ca 0.00 -0.58 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 2jtr h ILE 33 Cb 0.07 0.61 0.00 0.00 0.47 0.00 0.00 36.82 37.97 2jtr h ILE 33 CO 0.00 0.23 0.00 0.00 -3.07 0.00 0.00 178.15 175.31 2jtr h ALA 34 N 1.51 1.00 0.00 0.18 0.00 -1.80 0.23 119.26 120.38 2jtr h ALA 34 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2jtr h ALA 34 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jtr h ALA 34 CO -0.02 0.00 -1.14 0.25 0.00 0.00 0.00 179.25 178.34 2jtr n THR 35 N -2.70 0.14 -0.17 0.00 -2.24 -0.96 -3.83 114.28 104.53 2jtr n THR 35 Ca -0.02 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 2jtr n THR 35 Cb 0.06 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 2jtr n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jtr h ALA 36 N 0.10 0.68 -2.20 6.98 0.00 -0.88 -3.39 119.26 120.55 2jtr h ALA 36 Ca -0.06 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 53.94 2jtr h ALA 36 Cb 1.13 -0.18 -0.38 0.00 0.00 0.00 0.00 17.79 18.37 2jtr h ALA 36 CO 0.00 0.59 -1.00 0.28 0.00 0.00 0.00 179.25 179.12 2jtr n VAL 37 N -4.20 -1.04 0.23 0.00 0.31 0.05 -4.99 118.33 108.68 2jtr n VAL 37 Ca 0.00 -3.51 0.09 0.00 -0.01 0.00 0.00 64.34 60.92 2jtr n VAL 37 Cb 0.40 -1.64 0.54 0.00 -0.91 0.00 0.00 33.84 32.23 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 5.15 0.00 -6.32 5.55 0.13 -1.70 -3.41 132.00 131.39 2jtr h PRO 38 Ca 0.21 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.80 2jtr h PRO 38 Cb 0.91 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.97 2jtr h PRO 38 CO 0.39 0.23 1.12 0.34 -0.23 0.00 0.00 178.00 179.84 2jtr s ASP 39 N -6.35 6.01 0.20 1.44 2.15 -1.26 -4.88 116.67 113.97 2jtr s ASP 39 Ca -0.02 -0.04 0.19 0.00 0.43 0.00 0.00 52.55 53.11 2jtr s ASP 39 Cb 0.12 -2.55 0.85 0.00 -0.30 0.00 0.00 42.92 41.05 2jtr s ASP 39 CO 0.64 -1.87 1.57 0.29 -0.17 0.00 0.00 175.17 175.63 2jtr n LYS 40 N 9.05 0.12 0.11 4.34 5.02 -1.26 -1.56 118.16 133.99 2jtr n LYS 40 Ca 0.09 0.45 0.13 0.00 -2.02 0.00 0.00 58.31 56.96 2jtr n LYS 40 Cb 0.50 -1.78 0.43 0.00 -0.02 0.00 0.00 35.03 34.15 2jtr n LYS 40 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jtr n ASN 41 N -2.02 0.79 -4.76 4.39 4.05 -1.26 -3.47 115.26 112.97 2jtr n ASN 41 Ca 0.01 0.60 -0.37 0.00 0.45 0.00 0.00 54.58 55.28 2jtr n ASN 41 Cb 0.15 -0.81 0.01 0.00 1.23 0.00 0.00 39.78 40.36 2jtr n ASN 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jtr s ASP 42 N -4.49 5.70 -1.27 1.20 2.15 -0.60 -4.79 116.67 114.57 2jtr s ASP 42 Ca 0.09 2.42 -0.19 0.00 0.43 0.00 0.00 52.55 55.30 2jtr s ASP 42 Cb 0.11 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 40.15 2jtr s ASP 42 CO 0.54 -1.25 1.83 0.41 -0.17 0.00 0.00 175.17 176.54 2jtr n THR 43 N -0.93 3.41 -1.76 1.71 -1.04 -0.49 -4.56 114.28 110.61 2jtr n THR 43 Ca 0.10 -3.48 -0.37 0.00 -2.04 0.00 0.00 64.05 58.26 2jtr n THR 43 Cb 0.48 -2.34 -0.03 0.00 -1.82 0.00 0.00 70.33 66.62 2jtr n THR 43 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jtr s VAL 44 N 5.60 3.15 -0.14 12.58 1.01 -1.23 -2.13 120.40 139.24 2jtr s VAL 44 Ca 0.56 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 2jtr s VAL 44 Cb 0.04 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2jtr s VAL 44 CO 0.08 -0.38 0.46 -0.54 0.00 0.00 0.00 175.10 174.72 2jtr s LYS 45 N 7.74 4.30 0.02 2.72 1.02 -0.22 -2.01 119.74 133.30 2jtr s LYS 45 Ca 0.85 0.39 0.08 0.00 0.02 0.00 0.00 55.97 57.31 2jtr s LYS 45 Cb -0.15 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 2jtr s LYS 45 CO 0.24 0.10 -0.23 0.14 -0.92 0.00 0.00 175.35 174.68 2jtr s VAL 46 N 0.82 1.88 0.22 3.17 -7.23 -0.19 -1.21 120.40 117.86 2jtr s VAL 46 Ca 0.24 -1.18 -0.15 0.00 -1.81 0.00 0.00 61.98 59.08 2jtr s VAL 46 Cb -0.15 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.20 2jtr s VAL 46 CO 0.09 0.38 0.51 -0.72 -0.31 0.00 0.00 175.10 175.05 2jtr s TYR 47 N -0.70 0.10 0.04 2.82 1.13 -1.17 -1.19 117.35 118.39 2jtr s TYR 47 Ca 0.09 -0.47 -0.02 0.00 -1.41 0.00 0.00 57.07 55.26 2jtr s TYR 47 Cb -0.09 0.31 0.01 0.00 -1.10 0.00 0.00 41.96 41.09 2jtr s TYR 47 CO 0.01 -0.96 0.09 0.00 -2.51 0.00 0.00 175.55 172.18 2jtr h ASN 49 N 0.23 -0.11 0.00 0.00 -0.00 -1.95 -0.21 115.58 113.54 2jtr h ASN 49 Ca -0.04 0.12 -0.11 0.00 -0.00 0.00 0.00 56.30 56.27 2jtr h ASN 49 Cb 0.14 0.19 -0.23 0.00 -0.00 0.00 0.00 38.32 38.42 2jtr h ASN 49 CO 0.05 -0.03 -0.81 0.00 -0.00 0.00 0.00 177.43 176.63 2jtr n ALA 50 N -2.64 2.25 0.00 1.57 0.00 -1.26 -3.21 120.51 117.21 2jtr n ALA 50 Ca 0.08 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 51.65 2jtr n ALA 50 Cb 0.31 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 0.25 1.83 0.28 0.00 0.00 -1.25 -4.81 105.19 101.49 2jtr n GLY 51 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 0.72 0.99 -0.02 1.61 2.47 -1.95 0.26 114.38 118.47 2jtr h ARG 52 Ca 0.00 -0.38 -0.06 0.00 -1.26 0.00 0.00 59.98 58.28 2jtr h ARG 52 Cb 0.00 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2jtr h ARG 52 CO 0.00 1.06 -0.28 1.96 0.56 0.00 0.00 179.97 183.27 2jtr h GLN 53 N 0.86 0.03 -0.07 0.04 7.50 -1.89 -1.66 115.11 119.92 2jtr h GLN 53 Ca 0.13 -0.01 -0.10 0.00 0.50 0.00 0.00 58.65 59.17 2jtr h GLN 53 Cb 0.69 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.22 2jtr h GLN 53 CO 0.05 0.31 -0.35 0.77 -1.50 0.00 0.00 178.83 178.12 2jtr h SER 54 N 0.03 0.43 -0.47 1.46 0.02 -1.61 0.13 113.55 113.53 2jtr h SER 54 Ca 0.00 -0.65 -0.01 0.00 -0.84 0.00 0.00 61.79 60.29 2jtr h SER 54 Cb 0.51 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2jtr h SER 54 CO 0.04 1.01 0.24 1.23 -1.14 0.00 0.00 176.83 178.21 2jtr h GLY 55 N -0.13 0.71 0.83 -3.77 0.00 -0.94 0.25 103.07 100.01 2jtr h GLY 55 Ca -0.02 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.00 2jtr h GLY 55 CO 0.07 0.32 0.23 1.46 0.00 0.00 0.00 176.54 178.62 2jtr h GLN 56 N 0.61 0.44 -0.50 4.80 4.20 -1.32 -2.81 115.11 120.54 2jtr h GLN 56 Ca 0.16 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 2jtr h GLN 56 Cb 0.08 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2jtr h GLN 56 CO -0.02 0.29 0.01 0.00 -0.67 0.00 0.00 178.83 178.44 2jtr h ALA 57 N 1.21 1.07 -0.68 3.87 0.00 -0.31 -2.96 119.26 121.47 2jtr h ALA 57 Ca 0.18 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jtr h ALA 57 Cb 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2jtr h ALA 57 CO -0.11 0.59 0.45 -0.22 0.00 0.00 0.00 179.25 179.95 2jtr h LYS 58 N 0.78 0.80 0.44 0.00 3.64 -0.69 -0.42 116.57 121.12 2jtr h LYS 58 Ca 0.15 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2jtr h LYS 58 Cb 0.46 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jtr h LYS 58 CO 0.02 0.53 -0.21 0.93 -2.27 0.00 0.00 179.45 178.45 2jtr h GLU 59 N 0.83 -0.57 -0.30 1.90 5.08 -1.47 -0.65 114.58 119.40 2jtr h GLU 59 Ca 0.27 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 2jtr h GLU 59 Cb 0.04 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2jtr h GLU 59 CO -0.07 -0.32 -0.16 -0.84 -1.00 0.00 0.00 179.01 176.62 2jtr h ILE 60 N -0.72 1.24 -0.65 3.13 3.07 -1.55 -1.31 117.51 120.73 2jtr h ILE 60 Ca -0.06 -1.11 -0.08 0.00 1.55 0.00 0.00 64.86 65.16 2jtr h ILE 60 Cb 0.52 1.19 -0.03 0.00 -0.27 0.00 0.00 36.82 38.24 2jtr h ILE 60 CO 0.10 0.36 0.08 -0.07 -1.05 0.00 0.00 178.15 177.57 2jtr h LEU 61 N 0.48 1.06 -0.55 0.16 3.38 -1.00 0.92 115.31 119.76 2jtr h LEU 61 Ca 0.08 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2jtr h LEU 61 Cb 0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2jtr h LEU 61 CO 0.04 1.06 0.14 0.28 0.09 0.00 0.00 178.44 180.04 2jtr h SER 62 N 1.02 0.83 -0.25 -0.43 0.02 -0.69 -1.41 113.55 112.64 2jtr h SER 62 Ca 0.20 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 2jtr h SER 62 Cb 0.47 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2jtr h SER 62 CO 0.02 0.84 -0.11 -0.33 -1.14 0.00 0.00 176.83 176.11 2jtr h GLU 63 N 0.77 0.65 0.00 3.45 4.39 -0.88 -1.50 114.58 121.46 2jtr h GLU 63 Ca 0.17 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2jtr h GLU 63 Cb 0.34 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2jtr h GLU 63 CO 0.00 0.75 0.00 -1.33 -1.16 0.00 0.00 179.01 177.27 2jtr n MET 64 N -4.18 0.02 -0.06 2.33 2.81 0.28 -4.90 117.12 113.43 2jtr n MET 64 Ca 0.01 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 2jtr n MET 64 Cb 0.34 -1.54 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 0.09 0.97 3.74 3.03 0.00 -0.56 -5.07 105.19 107.39 2jtr n GLY 65 Ca 0.04 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 3.38 -0.21 1.61 1.51 -0.59 -4.93 117.35 116.12 2jtr s TYR 66 Ca 0.00 1.38 0.02 0.00 -1.01 0.00 0.00 57.07 57.46 2jtr s TYR 66 Cb 0.00 -3.48 0.03 0.00 -0.11 0.00 0.00 41.96 38.41 2jtr s TYR 66 CO 0.00 -1.37 0.78 0.25 -1.11 0.00 0.00 175.55 174.10 2jtr n THR 67 N 2.45 0.46 -2.33 -0.71 -2.24 -1.23 -4.23 114.28 106.45 2jtr n THR 67 Ca 0.04 -0.73 0.04 0.00 -2.27 0.00 0.00 64.05 61.14 2jtr n THR 67 Cb 0.44 0.79 0.05 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.09 0.00 -2.20 4.78 8.25 -1.26 -5.08 115.22 119.62 2jtr n HIS 68 Ca 0.02 -0.62 -0.39 0.00 -0.26 0.00 0.00 57.72 56.46 2jtr n HIS 68 Cb 0.16 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.49 2.93 -0.08 1.59 1.01 -1.26 -3.52 120.40 120.59 2jtr s VAL 69 Ca 0.33 0.84 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 2jtr s VAL 69 Cb 0.37 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 33.29 2jtr s VAL 69 CO -0.15 0.13 0.17 -0.70 0.00 0.00 0.00 175.10 174.55 2jtr s GLU 70 N -2.08 0.10 -0.47 2.72 2.12 -0.85 -4.98 118.70 115.26 2jtr s GLU 70 Ca 0.54 0.43 -0.29 0.00 0.36 0.00 0.00 54.97 56.01 2jtr s GLU 70 Cb -0.35 -0.18 0.03 0.00 0.26 0.00 0.00 34.13 33.89 2jtr s GLU 70 CO 0.45 -0.19 1.17 1.21 -0.54 0.00 0.00 175.26 177.36 2jtr s ASN 71 N 1.38 6.61 0.45 -1.70 3.04 -1.26 -1.03 114.94 122.44 2jtr s ASN 71 Ca -0.07 0.53 0.13 0.00 0.04 0.00 0.00 52.86 53.49 2jtr s ASN 71 Cb -0.11 -2.55 1.02 0.00 -1.54 0.00 0.00 41.25 38.07 2jtr s ASN 71 CO -0.06 -1.26 2.03 0.00 -3.04 0.00 0.00 177.10 174.76 2jtr h ALA 72 N 9.34 1.75 0.00 1.71 0.00 -1.51 -3.48 119.26 127.07 2jtr h ALA 72 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jtr h ALA 72 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jtr h ALA 72 CO 1.12 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.97 2jtr n GLY 73 N -1.17 0.39 3.79 0.00 0.00 -1.26 -4.80 105.19 102.14 2jtr n GLY 73 Ca -0.02 -1.53 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 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 1.48 0.23 -0.02 0.00 -1.26 -4.07 107.32 103.68 2jtr s GLY 74 Ca 0.00 -1.45 -0.06 0.00 0.00 0.00 0.00 44.72 43.21 2jtr s GLY 74 CO 0.00 -1.49 1.73 -2.00 0.00 0.00 0.00 173.10 171.34 2jtr h LEU 75 N 1.65 0.26 -0.22 0.66 7.12 -0.99 0.11 115.31 123.90 2jtr h LEU 75 Ca -0.48 0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.63 2jtr h LEU 75 Cb 1.24 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.45 2jtr h LEU 75 CO 0.61 0.12 0.00 2.29 -0.13 0.00 0.00 178.44 181.32 2jtr n LYS 76 N -5.00 0.05 -0.01 1.25 2.85 -1.26 -3.62 118.16 112.42 2jtr n LYS 76 Ca 0.12 0.33 -0.01 0.00 -1.05 0.00 0.00 58.31 57.70 2jtr n LYS 76 Cb 0.36 -1.60 -0.02 0.00 -0.65 0.00 0.00 35.03 33.12 2jtr n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jtr n ASP 77 N -1.70 4.42 -4.71 -5.58 2.03 -0.12 -4.99 116.55 105.89 2jtr n ASP 77 Ca 0.03 -0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.91 2jtr n ASP 77 Cb 0.16 0.55 -0.03 0.00 -0.72 0.00 0.00 41.12 41.08 2jtr n ASP 77 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2jtr n ILE 78 N -2.09 0.24 0.70 5.18 5.41 -0.34 -4.91 119.36 123.55 2jtr n ILE 78 Ca -0.04 -0.06 0.13 0.00 1.00 0.00 0.00 62.75 63.78 2jtr n ILE 78 Cb 0.57 -1.87 0.39 0.00 -0.71 0.00 0.00 39.64 38.03 2jtr n ILE 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jtr n ALA 79 N 3.41 2.47 -1.32 -1.39 0.00 -1.26 -4.90 120.51 117.52 2jtr n ALA 79 Ca 0.15 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 2jtr n ALA 79 Cb 0.34 -1.40 0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -3.09 1.99 0.89 0.00 -1.94 -1.26 -5.01 119.30 110.88 2jtr s MET 80 Ca 0.10 1.81 -0.11 0.00 -1.71 0.00 0.00 55.69 55.79 2jtr s MET 80 Cb 0.14 -1.81 0.12 0.00 2.01 0.00 0.00 34.83 35.29 2jtr s MET 80 CO 0.61 -1.96 1.09 -1.25 -0.01 0.00 0.00 175.02 173.51 2jtr s PRO 81 N -3.92 1.31 0.31 2.03 0.04 -1.26 -4.91 135.00 128.61 2jtr s PRO 81 Ca 0.75 1.00 0.07 0.00 0.04 0.00 0.00 61.00 62.87 2jtr s PRO 81 Cb -0.30 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2jtr s PRO 81 CO 0.47 -2.26 -0.05 0.15 0.04 0.00 0.00 177.00 175.35 2jtr s LYS 82 N -4.85 1.67 0.08 4.56 3.01 -1.26 -1.10 119.74 121.84 2jtr s LYS 82 Ca 0.64 -1.87 0.07 0.00 -1.01 0.00 0.00 55.97 53.80 2jtr s LYS 82 Cb -0.19 -1.31 -0.03 0.00 -1.01 0.00 0.00 37.83 35.29 2jtr s LYS 82 CO 0.57 0.03 -0.19 0.14 0.51 0.00 0.00 175.35 176.42 2jtr s VAL 83 N -2.91 1.51 0.00 3.17 -7.23 -0.09 -4.61 120.40 110.25 2jtr s VAL 83 Ca 0.31 -1.37 -0.14 0.00 -1.81 0.00 0.00 61.98 58.98 2jtr s VAL 83 Cb 0.04 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.63 2jtr s VAL 83 CO 0.14 -0.03 0.29 -0.75 -0.31 0.00 0.00 175.10 174.44 2jtr s LYS 84 N -1.64 0.69 0.00 4.82 2.20 -1.26 -1.85 119.74 122.69 2jtr s LYS 84 Ca 0.04 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 2jtr s LYS 84 Cb -0.10 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 2jtr s LYS 84 CO 0.03 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.24