#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 1.66 -0.03 0.00 1.03 -1.26 -3.27 118.70 116.84 2jtr s GLU 2 Ca 0.00 -1.39 0.01 0.00 0.03 0.00 0.00 54.97 53.62 2jtr s GLU 2 Cb 0.00 0.47 0.02 0.00 -0.80 0.00 0.00 34.13 33.82 2jtr s GLU 2 CO 0.00 -0.69 -0.03 -1.01 -1.33 0.00 0.00 175.26 172.20 2jtr s HIS 3 N -3.69 0.49 -0.34 4.83 3.76 -1.11 -4.97 115.29 114.26 2jtr s HIS 3 Ca 0.24 -0.09 -0.17 0.00 -0.15 0.00 0.00 55.06 54.90 2jtr s HIS 3 Cb -0.01 -0.47 -0.01 0.00 1.11 0.00 0.00 32.58 33.21 2jtr s HIS 3 CO 0.12 -0.12 0.46 -1.58 -0.85 0.00 0.00 174.74 172.77 2jtr s TRP 4 N 0.73 3.19 -0.25 1.40 0.52 -1.26 -0.71 118.94 122.55 2jtr s TRP 4 Ca -0.08 0.14 0.00 0.00 0.02 0.00 0.00 56.10 56.18 2jtr s TRP 4 Cb -0.11 -2.83 0.07 0.00 -1.15 0.00 0.00 33.47 29.45 2jtr s TRP 4 CO -0.01 -0.49 -0.00 0.42 0.02 0.00 0.00 176.95 176.89 2jtr s ILE 5 N 2.26 1.34 0.40 2.03 1.01 -0.50 -1.59 121.20 126.15 2jtr s ILE 5 Ca 0.16 -1.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.28 2jtr s ILE 5 Cb -0.16 -1.75 -0.09 0.00 0.01 0.00 0.00 42.46 40.47 2jtr s ILE 5 CO 0.13 -0.27 1.30 -0.62 0.00 0.00 0.00 174.94 175.47 2jtr s ASP 6 N 1.45 6.35 -0.02 3.58 -1.08 0.20 -3.40 116.67 123.74 2jtr s ASP 6 Ca -0.01 2.64 0.02 0.00 -0.52 0.00 0.00 52.55 54.69 2jtr s ASP 6 Cb -0.18 -2.64 0.04 0.00 -1.46 0.00 0.00 42.92 38.68 2jtr s ASP 6 CO -0.10 -0.82 0.93 1.33 0.52 0.00 0.00 175.17 177.03 2jtr n VAL 7 N 0.17 0.91 -1.01 1.11 0.24 -0.04 -0.85 118.33 118.85 2jtr n VAL 7 Ca 0.03 -0.96 -0.30 0.00 -2.04 0.00 0.00 64.34 61.08 2jtr n VAL 7 Cb 0.44 0.49 0.14 0.00 -1.47 0.00 0.00 33.84 33.44 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 -1.03 1.24 0.61 7.34 1.70 -1.26 -0.95 118.95 126.59 2jtr s ARG 8 Ca 0.04 1.11 -0.19 0.00 -0.47 0.00 0.00 55.73 56.22 2jtr s ARG 8 Cb 0.04 -1.78 -0.03 0.00 -0.57 0.00 0.00 34.95 32.60 2jtr s ARG 8 CO 0.00 -2.34 1.25 1.33 -1.08 0.00 0.00 175.30 174.46 2jtr n VAL 9 N -3.99 4.45 0.07 4.99 0.24 -1.26 -4.10 118.33 118.73 2jtr n VAL 9 Ca 0.08 -0.50 0.02 0.00 -2.04 0.00 0.00 64.34 61.90 2jtr n VAL 9 Cb 0.54 -1.47 0.36 0.00 -1.47 0.00 0.00 33.84 31.80 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 0.75 0.35 -0.01 7.34 0.13 -1.98 -0.77 132.00 137.81 2jtr h PRO 10 Ca -0.50 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.45 2jtr h PRO 10 Cb 1.34 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2jtr h PRO 10 CO 0.54 0.43 -0.50 0.93 -0.23 0.00 0.00 178.00 179.17 2jtr h GLU 11 N 0.33 0.02 0.09 0.86 5.08 -2.02 -3.12 114.58 115.82 2jtr h GLU 11 Ca 0.07 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.15 2jtr h GLU 11 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jtr h GLU 11 CO 0.02 0.51 -1.32 1.96 -1.00 0.00 0.00 179.01 179.18 2jtr h GLN 12 N 0.01 0.20 -0.39 2.33 7.50 -1.54 -3.31 115.11 119.92 2jtr h GLN 12 Ca -0.00 -0.34 0.07 0.00 0.50 0.00 0.00 58.65 58.88 2jtr h GLN 12 Cb 0.89 0.12 -0.06 0.00 0.05 0.00 0.00 27.48 28.49 2jtr h GLN 12 CO 0.07 1.10 0.02 -0.92 -1.50 0.00 0.00 178.83 177.59 2jtr h TYR 13 N 0.05 0.01 0.00 2.96 3.20 -1.20 -2.77 116.97 119.22 2jtr h TYR 13 Ca -0.16 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 2jtr h TYR 13 Cb 1.95 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 40.28 2jtr h TYR 13 CO 0.05 -0.06 -0.01 1.96 -1.64 0.00 0.00 178.16 178.46 2jtr h GLN 14 N 0.12 0.00 0.00 1.82 4.20 -1.63 -2.98 115.11 116.64 2jtr h GLN 14 Ca 0.19 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 2jtr h GLN 14 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2jtr h GLN 14 CO -0.30 0.01 -0.18 1.96 -0.67 0.00 0.00 178.83 179.64 2jtr h GLN 15 N 0.00 0.00 0.00 1.46 1.08 -1.65 -1.26 115.11 114.74 2jtr h GLN 15 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jtr h GLN 15 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2jtr h GLN 15 CO 0.00 0.18 0.00 -1.91 -0.95 0.00 0.00 178.83 176.16 2jtr n GLU 16 N -3.46 0.00 -3.88 1.46 2.13 -1.12 -4.83 120.64 110.93 2jtr n GLU 16 Ca -0.01 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.72 2jtr n GLU 16 Cb 0.36 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.00 2jtr n GLU 16 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2jtr s HIS 17 N -0.57 0.22 0.31 4.31 -3.43 0.18 -4.87 115.29 111.44 2jtr s HIS 17 Ca 0.00 -0.61 -0.29 0.00 -0.80 0.00 0.00 55.06 53.36 2jtr s HIS 17 Cb 0.00 -0.01 -0.11 0.00 -1.43 0.00 0.00 32.58 31.04 2jtr s HIS 17 CO 0.00 -0.66 1.46 0.08 -2.00 0.00 0.00 174.74 173.61 2jtr s VAL 18 N -3.91 2.36 0.45 -5.38 1.01 -1.26 -0.59 120.40 113.08 2jtr s VAL 18 Ca 0.11 0.34 -0.25 0.00 0.00 0.00 0.00 61.98 62.17 2jtr s VAL 18 Cb 0.04 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 2jtr s VAL 18 CO -0.05 0.07 1.43 -1.58 0.00 0.00 0.00 175.10 174.97 2jtr s GLN 19 N -1.22 3.67 -0.47 2.72 0.74 -0.31 -3.66 119.66 121.12 2jtr s GLN 19 Ca 0.56 2.43 -0.02 0.00 0.05 0.00 0.00 55.36 58.38 2jtr s GLN 19 Cb -0.44 -2.65 0.00 0.00 1.10 0.00 0.00 33.01 31.02 2jtr s GLN 19 CO 0.52 -0.84 0.40 0.41 -0.55 0.00 0.00 175.29 175.24 2jtr n GLY 20 N 0.57 0.31 3.29 2.59 0.00 -1.26 -4.98 105.19 105.71 2jtr n GLY 20 Ca 0.05 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.12 1.89 0.39 4.61 0.00 -1.24 -4.68 121.76 119.62 2jtr s ALA 21 Ca 0.13 -2.07 0.04 0.00 0.00 0.00 0.00 51.96 50.06 2jtr s ALA 21 Cb -0.06 1.47 -0.03 0.00 0.00 0.00 0.00 23.12 24.51 2jtr s ALA 21 CO 0.26 -0.66 0.13 -1.50 0.00 0.00 0.00 175.76 173.99 2jtr s ILE 22 N -3.44 0.62 -0.02 0.00 2.07 -0.62 -5.03 121.20 114.78 2jtr s ILE 22 Ca 0.41 -2.00 0.04 0.00 -1.41 0.00 0.00 60.65 57.68 2jtr s ILE 22 Cb 0.02 -2.40 -0.00 0.00 0.13 0.00 0.00 42.46 40.21 2jtr s ILE 22 CO 0.28 0.00 -0.13 0.21 -1.91 0.00 0.00 174.94 173.38 2jtr s ASN 23 N -3.58 1.64 -0.31 4.50 3.84 -1.26 -0.63 114.94 119.14 2jtr s ASN 23 Ca 0.26 -0.26 -0.03 0.00 0.21 0.00 0.00 52.86 53.04 2jtr s ASN 23 Cb 0.03 -0.34 0.11 0.00 -0.55 0.00 0.00 41.25 40.50 2jtr s ASN 23 CO 0.15 0.13 0.17 -0.63 -2.79 0.00 0.00 177.10 174.13 2jtr s ILE 24 N -0.05 -0.06 0.85 -5.21 1.01 -0.03 -4.92 121.20 112.79 2jtr s ILE 24 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 2jtr s ILE 24 Cb -0.08 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.40 2jtr s ILE 24 CO 0.01 -0.77 0.58 -2.65 0.00 0.00 0.00 174.94 172.10 2jtr n PRO 25 N 4.94 -0.02 -0.25 2.79 -0.02 -1.26 -4.21 135.00 136.99 2jtr n PRO 25 Ca -0.01 0.05 0.16 0.00 -2.02 0.00 0.00 63.50 61.68 2jtr n PRO 25 Cb 0.41 -1.94 0.45 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 -1.05 0.51 -0.60 2.45 5.85 -1.27 0.21 115.31 121.41 2jtr h LEU 26 Ca -0.45 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2jtr h LEU 26 Cb 1.31 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2jtr h LEU 26 CO 0.39 0.23 0.00 0.29 -0.34 0.00 0.00 178.44 179.01 2jtr n LYS 27 N -4.54 0.15 -0.02 1.25 5.02 -1.26 -3.78 118.16 114.99 2jtr n LYS 27 Ca 0.18 0.40 -0.02 0.00 -2.02 0.00 0.00 58.31 56.85 2jtr n LYS 27 Cb 0.59 -1.80 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 2jtr n LYS 27 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jtr n GLU 28 N -2.09 1.44 0.00 1.97 -0.58 0.36 -4.75 120.64 116.99 2jtr n GLU 28 Ca 0.02 0.01 0.09 0.00 -0.42 0.00 0.00 57.16 56.86 2jtr n GLU 28 Cb 0.20 -1.09 0.50 0.00 -0.57 0.00 0.00 31.44 30.49 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 0.98 0.00 2.62 3.04 -0.82 -0.60 116.25 121.48 2jtr h VAL 29 Ca -0.09 -0.13 -0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2jtr h VAL 29 Cb 1.17 0.57 -0.00 0.00 -2.01 0.00 0.00 31.29 31.02 2jtr h VAL 29 CO -0.01 0.07 -0.02 0.50 -1.01 0.00 0.00 177.57 177.10 2jtr h LYS 30 N 0.38 0.00 0.00 4.17 3.64 -1.84 -0.72 116.57 122.19 2jtr h LYS 30 Ca 0.19 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.42 2jtr h LYS 30 Cb 0.27 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2jtr h LYS 30 CO -0.04 0.02 -1.57 0.39 -2.27 0.00 0.00 179.45 175.97 2jtr n GLU 31 N -3.46 2.42 0.08 1.90 1.02 -0.77 -4.77 120.64 117.06 2jtr n GLU 31 Ca -0.03 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2jtr n GLU 31 Cb 0.11 -1.21 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 2jtr n GLU 31 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2jtr h ARG 32 N 0.00 0.00 -0.34 3.49 2.43 -0.75 -3.27 114.38 115.94 2jtr h ARG 32 Ca -0.23 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2jtr h ARG 32 Cb 1.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.03 2jtr h ARG 32 CO 0.01 0.47 0.16 0.97 -1.51 0.00 0.00 179.97 180.07 2jtr h ILE 33 N 0.00 1.12 0.00 1.20 6.09 -1.38 -0.60 117.51 123.94 2jtr h ILE 33 Ca -0.08 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 2jtr h ILE 33 Cb 1.54 0.69 0.00 0.00 0.47 0.00 0.00 36.82 39.52 2jtr h ILE 33 CO 0.07 0.14 0.00 0.00 -3.07 0.00 0.00 178.15 175.29 2jtr n ALA 34 N -2.48 1.28 -0.03 0.18 0.00 -1.23 -0.54 120.51 117.68 2jtr n ALA 34 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2jtr n ALA 34 Cb 0.12 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 2jtr n ALA 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jtr n THR 35 N -1.45 0.34 -0.04 0.00 -1.04 -0.45 -4.18 114.28 107.47 2jtr n THR 35 Ca 0.02 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.05 61.76 2jtr n THR 35 Cb 0.06 -0.76 0.02 0.00 -1.82 0.00 0.00 70.33 67.82 2jtr n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jtr h ALA 36 N 0.07 0.61 -2.13 2.41 0.00 -0.85 -3.38 119.26 116.00 2jtr h ALA 36 Ca -0.13 -0.50 -0.57 0.00 0.00 0.00 0.00 54.91 53.70 2jtr h ALA 36 Cb 1.24 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.55 2jtr h ALA 36 CO -0.01 0.68 -1.06 0.28 0.00 0.00 0.00 179.25 179.14 2jtr n VAL 37 N -3.99 -0.88 0.21 0.00 0.31 0.29 -5.00 118.33 109.28 2jtr n VAL 37 Ca -0.03 -3.81 0.06 0.00 -0.01 0.00 0.00 64.34 60.55 2jtr n VAL 37 Cb 0.60 -1.85 0.45 0.00 -0.91 0.00 0.00 33.84 32.12 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 4.57 0.00 -6.32 5.55 0.13 -1.73 -3.39 132.00 130.81 2jtr h PRO 38 Ca 0.14 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.73 2jtr h PRO 38 Cb 0.89 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.96 2jtr h PRO 38 CO 0.43 0.31 1.13 0.34 -0.23 0.00 0.00 178.00 179.97 2jtr s ASP 39 N -6.57 5.99 0.00 1.44 2.15 -1.26 -4.88 116.67 113.55 2jtr s ASP 39 Ca -0.02 -0.01 0.16 0.00 0.43 0.00 0.00 52.55 53.11 2jtr s ASP 39 Cb 0.13 -2.55 0.83 0.00 -0.30 0.00 0.00 42.92 41.03 2jtr s ASP 39 CO 0.68 -1.88 1.44 0.29 -0.17 0.00 0.00 175.17 175.53 2jtr n LYS 40 N 9.04 0.27 -1.69 4.34 5.02 -1.26 -2.99 118.16 130.89 2jtr n LYS 40 Ca 0.10 0.12 -0.28 0.00 -2.02 0.00 0.00 58.31 56.23 2jtr n LYS 40 Cb 0.50 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.24 5.95 -4.10 4.39 5.15 -1.26 -1.67 115.26 122.49 2jtr n ASN 41 Ca 0.08 -3.77 -0.15 0.00 -0.60 0.00 0.00 54.58 50.15 2jtr n ASN 41 Cb 0.11 -0.61 -0.12 0.00 -0.53 0.00 0.00 39.78 38.63 2jtr n ASN 41 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jtr s ASP 42 N -2.83 1.11 0.64 1.20 2.15 -1.16 -5.00 116.67 112.78 2jtr s ASP 42 Ca 0.56 -0.57 -0.16 0.00 0.43 0.00 0.00 52.55 52.82 2jtr s ASP 42 Cb 0.45 0.01 -0.01 0.00 -0.30 0.00 0.00 42.92 43.07 2jtr s ASP 42 CO 0.02 -0.16 1.13 -0.89 -0.17 0.00 0.00 175.17 175.09 2jtr s THR 43 N -1.34 3.13 -0.02 1.71 2.01 -1.20 -4.77 115.64 115.17 2jtr s THR 43 Ca -0.07 0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.52 2jtr s THR 43 Cb -0.10 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2jtr s THR 43 CO 0.01 -0.28 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.90 2jtr s VAL 44 N -2.16 0.59 -0.17 3.82 1.01 -1.21 -2.73 120.40 119.54 2jtr s VAL 44 Ca 0.69 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2jtr s VAL 44 Cb -0.22 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2jtr s VAL 44 CO 0.38 0.18 -0.06 -0.54 0.00 0.00 0.00 175.10 175.07 2jtr s LYS 45 N 0.08 3.52 0.01 2.72 -0.14 0.11 -1.68 119.74 124.36 2jtr s LYS 45 Ca -0.01 -0.58 0.08 0.00 -1.36 0.00 0.00 55.97 54.10 2jtr s LYS 45 Cb -0.06 -2.89 -0.02 0.00 -1.68 0.00 0.00 37.83 33.18 2jtr s LYS 45 CO -0.00 0.09 -0.25 0.14 -0.76 0.00 0.00 175.35 174.58 2jtr s VAL 46 N 0.72 1.96 0.24 3.17 -7.23 -0.38 -1.41 120.40 117.47 2jtr s VAL 46 Ca -0.03 -1.16 -0.15 0.00 -1.81 0.00 0.00 61.98 58.83 2jtr s VAL 46 Cb -0.15 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.15 2jtr s VAL 46 CO 0.02 0.45 0.52 -0.72 -0.31 0.00 0.00 175.10 175.06 2jtr s TYR 47 N -0.67 0.20 0.00 2.82 1.13 -1.22 -1.09 117.35 118.52 2jtr s TYR 47 Ca 0.10 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.19 2jtr s TYR 47 Cb -0.09 0.30 0.00 0.00 -1.10 0.00 0.00 41.96 41.07 2jtr s TYR 47 CO 0.00 -1.01 0.00 0.00 -2.51 0.00 0.00 175.55 172.03 2jtr h ASN 49 N 0.00 0.12 0.00 0.00 -0.00 -1.94 0.42 115.58 114.18 2jtr h ASN 49 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.36 2jtr h ASN 49 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.38 2jtr h ASN 49 CO 0.00 0.10 -0.01 0.00 -0.00 0.00 0.00 177.43 177.53 2jtr n ALA 50 N -2.42 1.71 0.00 1.57 0.00 -1.26 -2.62 120.51 117.49 2jtr n ALA 50 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2jtr n ALA 50 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 1.22 0.40 0.16 0.00 0.00 -1.26 -4.06 105.19 101.65 2jtr n GLY 51 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.25 -0.31 1.61 3.08 -1.97 -0.09 114.38 116.44 2jtr h ARG 52 Ca 0.00 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2jtr h ARG 52 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2jtr h ARG 52 CO 0.00 -0.17 0.21 1.96 -1.07 0.00 0.00 179.97 180.90 2jtr h GLN 53 N -0.26 0.29 -0.10 0.04 7.50 -1.95 -0.26 115.11 120.37 2jtr h GLN 53 Ca 0.00 -0.02 -0.11 0.00 0.50 0.00 0.00 58.65 59.02 2jtr h GLN 53 Cb 0.25 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.72 2jtr h GLN 53 CO -0.03 0.20 -0.37 0.77 -1.50 0.00 0.00 178.83 177.90 2jtr h SER 54 N 0.30 0.49 -0.34 1.46 0.02 -1.57 0.92 113.55 114.84 2jtr h SER 54 Ca 0.13 -0.62 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 2jtr h SER 54 Cb 0.14 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2jtr h SER 54 CO -0.03 1.03 0.09 1.23 -1.14 0.00 0.00 176.83 178.02 2jtr h GLY 55 N -0.02 0.57 0.73 -3.77 0.00 -0.69 0.52 103.07 100.41 2jtr h GLY 55 Ca -0.02 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.01 2jtr h GLY 55 CO 0.08 0.33 0.40 1.46 0.00 0.00 0.00 176.54 178.81 2jtr h GLN 56 N 0.39 0.73 -0.42 4.80 4.20 -1.07 -1.50 115.11 122.24 2jtr h GLN 56 Ca 0.11 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2jtr h GLN 56 Cb 0.28 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2jtr h GLN 56 CO -0.00 0.48 -0.03 0.00 -0.67 0.00 0.00 178.83 178.61 2jtr h ALA 57 N 1.34 0.56 -0.83 3.87 0.00 -0.55 -3.00 119.26 120.65 2jtr h ALA 57 Ca 0.30 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jtr h ALA 57 Cb 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2jtr h ALA 57 CO -0.16 0.38 0.55 -0.22 0.00 0.00 0.00 179.25 179.80 2jtr h LYS 58 N 0.58 1.05 0.26 0.00 3.64 -0.33 -0.32 116.57 121.46 2jtr h LYS 58 Ca 0.11 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2jtr h LYS 58 Cb 0.53 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2jtr h LYS 58 CO 0.03 0.70 -0.12 0.93 -2.27 0.00 0.00 179.45 178.71 2jtr h GLU 59 N 1.08 -0.33 -0.17 1.90 5.08 -1.16 -0.07 114.58 120.91 2jtr h GLU 59 Ca 0.32 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 2jtr h GLU 59 Cb -0.05 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2jtr h GLU 59 CO -0.08 -0.19 -0.33 -0.84 -1.00 0.00 0.00 179.01 176.57 2jtr h ILE 60 N -0.39 1.28 -0.66 3.13 3.07 -1.37 -1.20 117.51 121.38 2jtr h ILE 60 Ca -0.04 -1.37 -0.09 0.00 1.55 0.00 0.00 64.86 64.91 2jtr h ILE 60 Cb 0.30 1.53 -0.03 0.00 -0.27 0.00 0.00 36.82 38.35 2jtr h ILE 60 CO 0.06 0.42 0.07 -0.07 -1.05 0.00 0.00 178.15 177.58 2jtr h LEU 61 N 0.29 1.08 -0.63 0.16 3.38 -0.90 0.98 115.31 119.67 2jtr h LEU 61 Ca 0.04 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2jtr h LEU 61 Cb 0.73 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2jtr h LEU 61 CO 0.06 1.08 0.17 0.28 0.09 0.00 0.00 178.44 180.11 2jtr h SER 62 N 1.03 0.94 -0.68 -0.43 0.02 -0.68 -1.00 113.55 112.76 2jtr h SER 62 Ca 0.20 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 2jtr h SER 62 Cb 0.48 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2jtr h SER 62 CO 0.02 0.92 0.12 -0.08 -1.14 0.00 0.00 176.83 176.67 2jtr h GLU 63 N 0.92 1.12 0.00 3.45 4.81 -0.81 -1.79 114.58 122.27 2jtr h GLU 63 Ca 0.20 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2jtr h GLU 63 Cb 0.34 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2jtr h GLU 63 CO -0.00 1.01 0.00 -1.33 -0.73 0.00 0.00 179.01 177.96 2jtr n MET 64 N -4.21 0.19 -0.21 1.92 2.81 0.30 -4.90 117.12 113.01 2jtr n MET 64 Ca 0.05 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 2jtr n MET 64 Cb 0.29 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 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 -0.22 0.87 3.66 3.03 0.00 -0.67 -5.04 105.19 106.81 2jtr n GLY 65 Ca 0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 1.70 0.32 1.61 1.51 -0.46 -4.84 117.35 115.19 2jtr s TYR 66 Ca 0.00 -0.07 0.17 0.00 -1.01 0.00 0.00 57.07 56.15 2jtr s TYR 66 Cb 0.00 -4.05 0.81 0.00 -0.11 0.00 0.00 41.96 38.61 2jtr s TYR 66 CO 0.00 -4.55 1.83 1.79 -1.11 0.00 0.00 175.55 173.50 2jtr h THR 67 N 5.59 1.05 -2.49 -0.71 1.35 -1.65 -3.41 112.91 112.65 2jtr h THR 67 Ca -0.43 -1.28 -0.08 0.00 -0.55 0.00 0.00 66.41 64.07 2jtr h THR 67 Cb 1.20 1.73 -0.26 0.00 -1.73 0.00 0.00 68.15 69.09 2jtr h THR 67 CO 0.95 0.34 -0.28 -1.38 -0.25 0.00 0.00 175.52 174.90 2jtr s HIS 68 N -3.99 -0.76 0.00 4.73 -3.43 -1.26 -5.13 115.29 105.45 2jtr s HIS 68 Ca -0.02 1.52 -0.07 0.00 -0.80 0.00 0.00 55.06 55.70 2jtr s HIS 68 Cb 0.13 0.35 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 2jtr s HIS 68 CO 0.69 -0.43 0.13 0.08 -2.00 0.00 0.00 174.74 173.22 2jtr s VAL 69 N 1.93 0.08 -0.01 -5.38 1.01 -1.26 -3.35 120.40 113.42 2jtr s VAL 69 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2jtr s VAL 69 Cb -0.09 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2jtr s VAL 69 CO -0.14 -0.38 0.01 -0.70 0.00 0.00 0.00 175.10 173.89 2jtr s GLU 70 N -1.37 0.03 -0.46 2.72 2.12 -0.67 -4.97 118.70 116.10 2jtr s GLU 70 Ca -0.15 0.08 -0.29 0.00 0.36 0.00 0.00 54.97 54.97 2jtr s GLU 70 Cb -0.08 -0.16 0.03 0.00 0.26 0.00 0.00 34.13 34.18 2jtr s GLU 70 CO 0.01 -0.08 1.17 1.21 -0.54 0.00 0.00 175.26 177.04 2jtr s ASN 71 N 0.52 6.63 0.42 -1.70 3.04 -1.26 -1.25 114.94 121.33 2jtr s ASN 71 Ca -0.04 0.57 0.15 0.00 0.04 0.00 0.00 52.86 53.57 2jtr s ASN 71 Cb -0.07 -2.55 0.91 0.00 -1.54 0.00 0.00 41.25 38.01 2jtr s ASN 71 CO -0.01 -1.24 1.92 0.00 -3.04 0.00 0.00 177.10 174.73 2jtr h ALA 72 N 9.30 1.51 0.00 1.71 0.00 -1.46 -3.47 119.26 126.84 2jtr h ALA 72 Ca -0.23 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jtr h ALA 72 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jtr h ALA 72 CO 1.11 0.33 0.00 0.41 0.00 0.00 0.00 179.25 181.10 2jtr n GLY 73 N -0.72 0.23 3.22 0.00 0.00 -1.26 -4.85 105.19 101.81 2jtr n GLY 73 Ca -0.02 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 1.39 0.38 -0.02 0.00 -1.26 -4.01 107.32 103.80 2jtr s GLY 74 Ca 0.00 -1.68 0.11 0.00 0.00 0.00 0.00 44.72 43.16 2jtr s GLY 74 CO 0.00 -1.45 1.89 -2.00 0.00 0.00 0.00 173.10 171.54 2jtr h LEU 75 N 2.63 0.56 0.00 0.66 5.85 -0.65 0.07 115.31 124.42 2jtr h LEU 75 Ca -0.36 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2jtr h LEU 75 Cb 1.23 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2jtr h LEU 75 CO 0.57 0.29 0.00 0.29 -0.34 0.00 0.00 178.44 179.25 2jtr n LYS 76 N -4.53 0.07 0.00 1.25 5.02 -1.24 -4.17 118.16 114.56 2jtr n LYS 76 Ca 0.16 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2jtr n LYS 76 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2jtr n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jtr n ASP 77 N -1.45 2.60 -4.72 4.39 2.03 -0.15 -5.04 116.55 114.22 2jtr n ASP 77 Ca 0.06 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.95 2jtr n ASP 77 Cb 0.23 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 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 -1.53 2.21 -0.78 5.18 1.01 -0.28 -4.91 121.20 122.10 2jtr s ILE 78 Ca 0.00 0.15 0.26 0.00 0.00 0.00 0.00 60.65 61.06 2jtr s ILE 78 Cb 0.00 -3.09 0.20 0.00 0.01 0.00 0.00 42.46 39.57 2jtr s ILE 78 CO 0.00 0.01 1.66 0.00 0.00 0.00 0.00 174.94 176.61 2jtr n ALA 79 N 4.00 2.56 -0.94 9.38 0.00 -1.26 -4.90 120.51 129.35 2jtr n ALA 79 Ca 0.15 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.15 2jtr n ALA 79 Cb 0.36 -1.37 0.14 0.00 0.00 0.00 0.00 19.45 18.58 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 1.46 0.93 0.00 -1.94 -1.26 -5.02 119.30 110.38 2jtr s MET 80 Ca 0.10 1.55 -0.11 0.00 -1.71 0.00 0.00 55.69 55.51 2jtr s MET 80 Cb 0.14 -1.78 0.15 0.00 2.01 0.00 0.00 34.83 35.36 2jtr s MET 80 CO 0.62 -2.30 1.09 -1.25 -0.01 0.00 0.00 175.02 173.17 2jtr s PRO 81 N -4.51 0.95 0.12 2.03 0.04 -1.26 -4.90 135.00 127.47 2jtr s PRO 81 Ca 0.68 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.68 2jtr s PRO 81 Cb -0.23 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2jtr s PRO 81 CO 0.55 -2.48 -0.10 0.15 0.04 0.00 0.00 177.00 175.16 2jtr s LYS 82 N -4.83 0.94 0.06 4.56 3.01 -1.26 -1.17 119.74 121.05 2jtr s LYS 82 Ca 0.64 -1.32 -0.05 0.00 -1.01 0.00 0.00 55.97 54.23 2jtr s LYS 82 Cb -0.19 -0.52 -0.02 0.00 -1.01 0.00 0.00 37.83 36.09 2jtr s LYS 82 CO 0.58 0.06 0.09 0.14 0.51 0.00 0.00 175.35 176.73 2jtr s VAL 83 N -3.03 0.16 0.87 3.17 -7.23 0.24 -4.77 120.40 109.81 2jtr s VAL 83 Ca 0.11 -1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 58.87 2jtr s VAL 83 Cb 0.01 -1.19 0.12 0.00 0.56 0.00 0.00 36.38 35.87 2jtr s VAL 83 CO -0.01 -0.72 1.11 -0.54 -0.31 0.00 0.00 175.10 174.63 2jtr s LYS 84 N -3.34 1.42 0.00 4.82 -0.14 -1.26 -0.65 119.74 120.60 2jtr s LYS 84 Ca 0.01 1.20 0.00 0.00 -1.36 0.00 0.00 55.97 55.83 2jtr s LYS 84 Cb 0.03 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.38 2jtr s LYS 84 CO -0.08 -2.24 0.39 0.41 -0.76 0.00 0.00 175.35 173.07