#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 0.97 0.02 0.00 -1.05 -1.26 -1.22 118.70 116.16 2jtr s GLU 2 Ca 0.00 -1.20 -0.07 0.00 -0.15 0.00 0.00 54.97 53.55 2jtr s GLU 2 Cb 0.00 0.32 -0.00 0.00 -0.44 0.00 0.00 34.13 34.00 2jtr s GLU 2 CO 0.00 -0.31 0.12 -1.01 0.95 0.00 0.00 175.26 175.01 2jtr s HIS 3 N -3.96 0.12 -0.28 4.83 3.76 -1.21 -4.92 115.29 113.62 2jtr s HIS 3 Ca 0.15 -0.33 -0.02 0.00 -0.15 0.00 0.00 55.06 54.71 2jtr s HIS 3 Cb 0.05 -0.09 0.04 0.00 1.11 0.00 0.00 32.58 33.69 2jtr s HIS 3 CO -0.03 -0.34 -0.02 -1.58 -0.85 0.00 0.00 174.74 171.92 2jtr s TRP 4 N -2.12 3.17 -0.29 1.40 0.52 -1.26 -0.82 118.94 119.53 2jtr s TRP 4 Ca -0.09 -1.65 -0.03 0.00 0.02 0.00 0.00 56.10 54.36 2jtr s TRP 4 Cb -0.04 -2.10 0.04 0.00 -1.15 0.00 0.00 33.47 30.22 2jtr s TRP 4 CO -0.02 -0.75 0.00 0.42 0.02 0.00 0.00 176.95 176.62 2jtr s ILE 5 N 1.31 3.13 0.07 2.03 1.09 -0.48 -1.18 121.20 127.17 2jtr s ILE 5 Ca -0.02 -1.23 -0.31 0.00 -1.10 0.00 0.00 60.65 57.99 2jtr s ILE 5 Cb -0.18 -2.74 -0.07 0.00 -1.06 0.00 0.00 42.46 38.41 2jtr s ILE 5 CO -0.02 -0.04 1.41 -0.62 -0.10 0.00 0.00 174.94 175.57 2jtr s ASP 6 N 1.30 6.82 0.00 3.58 -1.08 0.27 -2.82 116.67 124.75 2jtr s ASP 6 Ca -0.03 2.25 0.07 0.00 -0.52 0.00 0.00 52.55 54.32 2jtr s ASP 6 Cb -0.19 -2.57 0.17 0.00 -1.46 0.00 0.00 42.92 38.86 2jtr s ASP 6 CO -0.01 -0.69 1.06 1.33 0.52 0.00 0.00 175.17 177.38 2jtr n VAL 7 N 4.28 0.74 -0.91 1.11 0.24 -0.03 -1.43 118.33 122.34 2jtr n VAL 7 Ca 0.12 -0.87 -0.30 0.00 -2.04 0.00 0.00 64.34 61.25 2jtr n VAL 7 Cb 0.43 0.67 0.15 0.00 -1.47 0.00 0.00 33.84 33.62 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 -0.90 1.11 0.47 7.34 1.70 -1.26 -0.80 118.95 126.62 2jtr s ARG 8 Ca 0.14 1.23 -0.23 0.00 -0.47 0.00 0.00 55.73 56.39 2jtr s ARG 8 Cb 0.08 -1.76 -0.09 0.00 -0.57 0.00 0.00 34.95 32.61 2jtr s ARG 8 CO 0.10 -2.46 1.08 1.33 -1.08 0.00 0.00 175.30 174.27 2jtr n VAL 9 N -4.08 2.83 0.03 4.99 0.24 -1.26 -4.14 118.33 116.94 2jtr n VAL 9 Ca 0.09 -0.50 0.02 0.00 -2.04 0.00 0.00 64.34 61.91 2jtr n VAL 9 Cb 0.53 -1.29 0.37 0.00 -1.47 0.00 0.00 33.84 31.99 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 1.42 0.45 0.00 7.34 0.13 -1.98 -0.31 132.00 139.05 2jtr h PRO 10 Ca -0.47 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 2jtr h PRO 10 Cb 1.33 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2jtr h PRO 10 CO 0.56 0.43 -0.09 1.05 -0.23 0.00 0.00 178.00 179.72 2jtr h GLU 11 N 0.45 0.00 0.13 0.86 4.11 -2.00 -1.48 114.58 116.65 2jtr h GLU 11 Ca 0.11 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.20 2jtr h GLU 11 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2jtr h GLU 11 CO -0.00 0.09 -1.77 1.96 0.07 0.00 0.00 179.01 179.36 2jtr h GLN 12 N 0.00 0.28 -0.64 1.06 4.20 -1.43 -3.34 115.11 115.24 2jtr h GLN 12 Ca -0.00 -0.47 0.07 0.00 0.06 0.00 0.00 58.65 58.31 2jtr h GLN 12 Cb 0.16 0.18 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 2jtr h GLN 12 CO 0.01 1.15 0.32 -0.92 -0.67 0.00 0.00 178.83 178.72 2jtr h TYR 13 N 0.08 0.57 0.00 2.96 3.20 -1.04 -2.53 116.97 120.21 2jtr h TYR 13 Ca -0.34 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.55 2jtr h TYR 13 Cb 2.05 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 40.16 2jtr h TYR 13 CO 0.07 0.23 -0.01 0.37 -1.64 0.00 0.00 178.16 177.18 2jtr h GLN 14 N 0.57 0.00 -0.03 1.82 5.75 -1.39 -3.05 115.11 118.79 2jtr h GLN 14 Ca 0.30 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.78 2jtr h GLN 14 Cb 0.27 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 2jtr h GLN 14 CO -0.23 0.01 -0.05 1.96 -2.65 0.00 0.00 178.83 177.88 2jtr h GLN 15 N 0.00 0.08 -1.70 1.69 1.08 -1.58 -2.89 115.11 111.79 2jtr h GLN 15 Ca -0.00 -0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 2jtr h GLN 15 Cb 0.03 0.01 -0.25 0.00 -0.05 0.00 0.00 27.48 27.22 2jtr h GLN 15 CO 0.00 0.61 0.29 -2.00 -0.95 0.00 0.00 178.83 176.79 2jtr s GLU 16 N -4.01 0.53 0.11 1.46 2.12 -1.15 -4.06 118.70 113.70 2jtr s GLU 16 Ca -0.16 0.81 -0.08 0.00 0.36 0.00 0.00 54.97 55.90 2jtr s GLU 16 Cb 0.02 0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.56 2jtr s GLU 16 CO 0.70 -0.09 0.20 -3.38 -0.54 0.00 0.00 175.26 172.15 2jtr s HIS 17 N 1.05 0.29 0.26 5.30 -3.43 -0.26 -4.77 115.29 113.73 2jtr s HIS 17 Ca -0.05 -0.70 -0.30 0.00 -0.80 0.00 0.00 55.06 53.21 2jtr s HIS 17 Cb -0.04 -0.10 -0.10 0.00 -1.43 0.00 0.00 32.58 30.91 2jtr s HIS 17 CO -0.13 -0.59 1.40 0.08 -2.00 0.00 0.00 174.74 173.50 2jtr s VAL 18 N -3.91 2.72 0.51 -5.38 1.01 -1.26 -0.78 120.40 113.31 2jtr s VAL 18 Ca 0.10 0.63 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 2jtr s VAL 18 Cb 0.05 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 2jtr s VAL 18 CO -0.07 0.11 1.39 -1.58 0.00 0.00 0.00 175.10 174.96 2jtr s GLN 19 N -0.65 3.35 -0.41 2.72 0.74 -0.24 -3.91 119.66 121.24 2jtr s GLN 19 Ca 0.57 2.33 -0.01 0.00 0.05 0.00 0.00 55.36 58.30 2jtr s GLN 19 Cb -0.41 -2.42 0.00 0.00 1.10 0.00 0.00 33.01 31.29 2jtr s GLN 19 CO 0.45 -1.06 0.35 0.41 -0.55 0.00 0.00 175.29 174.89 2jtr n GLY 20 N 0.67 0.22 3.30 2.59 0.00 -1.26 -4.95 105.19 105.75 2jtr n GLY 20 Ca 0.08 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 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 1.27 0.38 4.61 0.00 -1.25 -4.65 121.76 119.00 2jtr s ALA 21 Ca 0.04 -1.76 0.06 0.00 0.00 0.00 0.00 51.96 50.30 2jtr s ALA 21 Cb -0.02 1.37 -0.07 0.00 0.00 0.00 0.00 23.12 24.40 2jtr s ALA 21 CO 0.25 -0.66 0.03 -1.50 0.00 0.00 0.00 175.76 173.87 2jtr s ILE 22 N -3.74 1.70 -0.08 0.00 2.07 -0.32 -5.02 121.20 115.80 2jtr s ILE 22 Ca 0.37 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.63 2jtr s ILE 22 Cb 0.04 -2.92 0.01 0.00 0.13 0.00 0.00 42.46 39.72 2jtr s ILE 22 CO 0.19 -0.00 -0.13 0.21 -1.91 0.00 0.00 174.94 173.30 2jtr s ASN 23 N -3.63 2.02 -0.36 4.50 3.04 -1.26 -0.57 114.94 118.69 2jtr s ASN 23 Ca 0.36 -0.34 -0.00 0.00 0.04 0.00 0.00 52.86 52.92 2jtr s ASN 23 Cb 0.10 -0.91 0.13 0.00 -1.54 0.00 0.00 41.25 39.02 2jtr s ASN 23 CO 0.17 0.02 0.19 -0.63 -3.04 0.00 0.00 177.10 173.81 2jtr s ILE 24 N 0.83 0.45 0.69 -5.21 1.01 -0.52 -4.94 121.20 113.51 2jtr s ILE 24 Ca -0.11 -1.72 -0.17 0.00 0.00 0.00 0.00 60.65 58.65 2jtr s ILE 24 Cb -0.15 -1.33 -0.06 0.00 0.01 0.00 0.00 42.46 40.92 2jtr s ILE 24 CO 0.02 -0.90 0.45 -2.65 0.00 0.00 0.00 174.94 171.85 2jtr n PRO 25 N 4.19 0.31 -0.26 2.79 -0.02 -1.26 -4.24 135.00 136.51 2jtr n PRO 25 Ca 0.07 0.14 0.05 0.00 -2.02 0.00 0.00 63.50 61.74 2jtr n PRO 25 Cb 0.38 -1.73 0.16 0.00 -0.02 0.00 0.00 33.50 32.28 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 -0.26 -0.38 -1.87 2.45 5.85 -1.20 0.37 115.31 120.27 2jtr h LEU 26 Ca -0.45 0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.55 2jtr h LEU 26 Cb 1.36 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 2jtr h LEU 26 CO 0.43 -0.19 0.26 0.50 -0.34 0.00 0.00 178.44 179.09 2jtr h LYS 27 N 0.09 0.16 -0.00 1.25 3.64 -1.89 -2.91 116.57 116.90 2jtr h LYS 27 Ca 0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2jtr h LYS 27 Cb 0.73 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2jtr h LYS 27 CO -0.68 0.10 -0.86 0.39 -2.27 0.00 0.00 179.45 176.13 2jtr n GLU 28 N -4.46 0.64 -0.04 1.90 -0.58 0.12 -4.59 120.64 113.62 2jtr n GLU 28 Ca 0.05 -0.12 -0.08 0.00 -0.42 0.00 0.00 57.16 56.59 2jtr n GLU 28 Cb 0.33 -1.42 -0.02 0.00 -0.57 0.00 0.00 31.44 29.76 2jtr n GLU 28 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2jtr h VAL 29 N 0.29 0.38 0.00 2.62 2.07 -1.00 -0.77 116.25 119.83 2jtr h VAL 29 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2jtr h VAL 29 Cb 0.49 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2jtr h VAL 29 CO 0.00 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 177.69 2jtr h LYS 30 N -0.26 0.00 0.00 1.57 1.57 -1.81 0.17 116.57 117.80 2jtr h LYS 30 Ca 0.13 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2jtr h LYS 30 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2jtr h LYS 30 CO -0.38 0.01 -0.41 0.93 -0.57 0.00 0.00 179.45 179.03 2jtr h GLU 31 N 0.00 0.00 0.00 3.15 4.39 -1.44 -3.43 114.58 117.26 2jtr h GLU 31 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jtr h GLU 31 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2jtr h GLU 31 CO 0.00 0.12 -0.19 0.54 -1.16 0.00 0.00 179.01 178.32 2jtr n ARG 32 N -3.02 1.57 -0.12 2.33 1.74 -0.78 -4.89 116.66 113.49 2jtr n ARG 32 Ca 0.02 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.11 2jtr n ARG 32 Cb 0.59 -0.59 0.29 0.00 -1.02 0.00 0.00 32.46 31.73 2jtr n ARG 32 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2jtr h ILE 33 N 0.00 1.18 0.00 0.55 6.09 -1.24 0.73 117.51 124.81 2jtr h ILE 33 Ca 0.00 -0.42 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 2jtr h ILE 33 Cb 0.15 0.37 0.00 0.00 0.47 0.00 0.00 36.82 37.81 2jtr h ILE 33 CO 0.00 0.19 0.00 0.00 -3.07 0.00 0.00 178.15 175.27 2jtr n ALA 34 N -2.45 1.39 0.00 0.18 0.00 -1.26 -0.74 120.51 117.64 2jtr n ALA 34 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jtr n ALA 34 Cb 0.09 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.32 0.00 -0.08 0.00 -1.04 -0.34 -4.08 114.28 107.42 2jtr n THR 35 Ca 0.02 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.93 2jtr n THR 35 Cb 0.04 -0.56 0.04 0.00 -1.82 0.00 0.00 70.33 68.03 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 0.00 0.73 -2.22 2.41 0.00 -0.76 -3.37 119.26 116.06 2jtr h ALA 36 Ca 0.00 -0.43 -0.58 0.00 0.00 0.00 0.00 54.91 53.90 2jtr h ALA 36 Cb 0.68 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 17.96 2jtr h ALA 36 CO 0.00 0.66 -1.03 0.28 0.00 0.00 0.00 179.25 179.16 2jtr n VAL 37 N -4.06 -0.94 0.24 0.00 0.31 0.08 -5.00 118.33 108.97 2jtr n VAL 37 Ca -0.01 -3.70 0.12 0.00 -0.01 0.00 0.00 64.34 60.73 2jtr n VAL 37 Cb 0.51 -1.79 0.57 0.00 -0.91 0.00 0.00 33.84 32.22 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 4.93 0.00 -6.20 5.55 0.13 -1.71 -3.41 132.00 131.29 2jtr h PRO 38 Ca 0.18 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.78 2jtr h PRO 38 Cb 0.89 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.98 2jtr h PRO 38 CO 0.42 0.17 1.26 0.34 -0.23 0.00 0.00 178.00 179.95 2jtr s ASP 39 N -6.10 5.73 0.19 1.44 2.15 -1.26 -4.87 116.67 113.95 2jtr s ASP 39 Ca -0.00 0.68 0.16 0.00 0.43 0.00 0.00 52.55 53.81 2jtr s ASP 39 Cb 0.11 -2.53 0.79 0.00 -0.30 0.00 0.00 42.92 40.98 2jtr s ASP 39 CO 0.61 -1.95 1.49 0.29 -0.17 0.00 0.00 175.17 175.44 2jtr n LYS 40 N 8.75 0.10 -0.38 4.34 4.76 -1.26 -1.70 118.16 132.76 2jtr n LYS 40 Ca 0.19 0.51 0.09 0.00 -2.87 0.00 0.00 58.31 56.23 2jtr n LYS 40 Cb 0.49 -1.78 0.28 0.00 -1.84 0.00 0.00 35.03 32.19 2jtr n LYS 40 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2jtr n ASN 41 N -1.98 3.86 -4.77 4.39 4.05 -1.26 -1.14 115.26 118.42 2jtr n ASN 41 Ca 0.00 -2.19 -0.37 0.00 0.45 0.00 0.00 54.58 52.47 2jtr n ASN 41 Cb 0.09 -0.44 0.00 0.00 1.23 0.00 0.00 39.78 40.66 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 -1.04 5.89 -1.33 1.20 2.15 -0.69 -4.92 116.67 117.92 2jtr s ASP 42 Ca 0.41 2.38 -0.17 0.00 0.43 0.00 0.00 52.55 55.61 2jtr s ASP 42 Cb 0.24 -2.61 0.07 0.00 -0.30 0.00 0.00 42.92 40.32 2jtr s ASP 42 CO 0.24 -1.12 1.84 0.41 -0.17 0.00 0.00 175.17 176.37 2jtr n THR 43 N -0.74 3.85 -1.79 1.71 -1.04 -0.36 -4.73 114.28 111.18 2jtr n THR 43 Ca 0.09 -3.89 -0.43 0.00 -2.04 0.00 0.00 64.05 57.78 2jtr n THR 43 Cb 0.48 -2.41 -0.03 0.00 -1.82 0.00 0.00 70.33 66.55 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 3.94 3.24 -0.03 12.58 1.01 -1.26 -3.34 120.40 136.55 2jtr s VAL 44 Ca 0.52 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 2jtr s VAL 44 Cb 0.06 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2jtr s VAL 44 CO 0.04 -0.16 0.45 -0.54 0.00 0.00 0.00 175.10 174.90 2jtr s LYS 45 N 5.70 4.10 0.02 2.72 -0.14 -0.00 -1.57 119.74 130.57 2jtr s LYS 45 Ca 0.89 0.47 0.05 0.00 -1.36 0.00 0.00 55.97 56.02 2jtr s LYS 45 Cb -0.30 -3.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.54 2jtr s LYS 45 CO 0.35 0.51 -0.14 0.14 -0.76 0.00 0.00 175.35 175.45 2jtr s VAL 46 N -0.53 1.07 0.22 3.17 -7.23 -0.37 -1.38 120.40 115.35 2jtr s VAL 46 Ca 0.25 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.47 2jtr s VAL 46 Cb -0.17 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.82 2jtr s VAL 46 CO 0.13 0.10 0.39 -0.72 -0.31 0.00 0.00 175.10 174.69 2jtr s TYR 47 N -0.66 0.42 0.00 2.82 1.13 -1.13 -1.08 117.35 118.85 2jtr s TYR 47 Ca 0.03 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 54.92 2jtr s TYR 47 Cb -0.07 0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.85 2jtr s TYR 47 CO 0.01 -0.88 0.00 0.00 -2.51 0.00 0.00 175.55 172.17 2jtr h ASN 49 N 0.00 0.02 -0.19 0.00 -0.00 -1.94 0.19 115.58 113.66 2jtr h ASN 49 Ca 0.00 -0.18 -0.20 0.00 -0.00 0.00 0.00 56.30 55.92 2jtr h ASN 49 Cb 0.00 -0.01 -0.36 0.00 -0.00 0.00 0.00 38.32 37.95 2jtr h ASN 49 CO 0.00 0.20 -0.97 0.00 -0.00 0.00 0.00 177.43 176.66 2jtr n ALA 50 N -2.19 2.59 0.00 1.57 0.00 -1.26 -3.20 120.51 118.01 2jtr n ALA 50 Ca -0.07 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.04 2jtr n ALA 50 Cb 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.16 2.15 0.13 0.00 0.00 -1.26 -4.82 105.19 101.23 2jtr n GLY 51 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 0.68 -0.23 -0.14 1.61 2.47 -1.95 -0.40 114.38 116.41 2jtr h ARG 52 Ca 0.00 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.76 2jtr h ARG 52 Cb 0.00 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2jtr h ARG 52 CO 0.00 0.01 0.10 1.96 0.56 0.00 0.00 179.97 182.60 2jtr h GLN 53 N -0.44 0.08 -0.09 0.04 7.50 -1.89 -0.26 115.11 120.05 2jtr h GLN 53 Ca -0.02 -0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.07 2jtr h GLN 53 Cb 0.34 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.85 2jtr h GLN 53 CO 0.04 0.05 -0.15 0.77 -1.50 0.00 0.00 178.83 178.04 2jtr h SER 54 N 0.09 0.28 -0.54 1.46 0.02 -1.68 0.13 113.55 113.30 2jtr h SER 54 Ca 0.06 -0.55 -0.05 0.00 -0.84 0.00 0.00 61.79 60.42 2jtr h SER 54 Cb 0.15 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2jtr h SER 54 CO -0.01 0.77 0.15 1.23 -1.14 0.00 0.00 176.83 177.84 2jtr h GLY 55 N -0.20 0.92 1.54 -3.77 0.00 -0.70 -0.01 103.07 100.85 2jtr h GLY 55 Ca 0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 2jtr h GLY 55 CO 0.03 0.52 0.19 1.46 0.00 0.00 0.00 176.54 178.75 2jtr h GLN 56 N 0.76 0.60 -0.10 4.80 4.20 -1.07 -2.49 115.11 121.81 2jtr h GLN 56 Ca 0.17 -0.07 -0.22 0.00 0.06 0.00 0.00 58.65 58.60 2jtr h GLN 56 Cb 0.31 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 27.98 2jtr h GLN 56 CO -0.00 0.48 -0.81 0.00 -0.67 0.00 0.00 178.83 177.83 2jtr h ALA 57 N 1.61 0.39 -0.97 3.87 0.00 -0.21 -3.28 119.26 120.68 2jtr h ALA 57 Ca 0.15 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2jtr h ALA 57 Cb 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2jtr h ALA 57 CO -0.02 0.72 0.63 -0.22 0.00 0.00 0.00 179.25 180.37 2jtr h LYS 58 N 0.41 1.19 -0.34 0.00 3.64 -0.55 -0.47 116.57 120.45 2jtr h LYS 58 Ca -0.06 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 2jtr h LYS 58 Cb 1.42 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2jtr h LYS 58 CO 0.15 0.79 -0.05 1.05 -2.27 0.00 0.00 179.45 179.12 2jtr h GLU 59 N 1.23 0.64 -0.11 1.90 4.11 -1.58 -0.13 114.58 120.64 2jtr h GLU 59 Ca 0.38 -0.23 -0.12 0.00 0.07 0.00 0.00 59.36 59.46 2jtr h GLU 59 Cb -0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2jtr h GLU 59 CO -0.11 0.79 -0.46 -0.84 0.07 0.00 0.00 179.01 178.46 2jtr h ILE 60 N 0.44 1.33 -0.45 -1.06 3.07 -1.55 -1.23 117.51 118.05 2jtr h ILE 60 Ca 0.09 -1.65 -0.10 0.00 1.55 0.00 0.00 64.86 64.75 2jtr h ILE 60 Cb 0.54 1.76 -0.02 0.00 -0.27 0.00 0.00 36.82 38.83 2jtr h ILE 60 CO 0.03 0.49 -0.13 -0.07 -1.05 0.00 0.00 178.15 177.42 2jtr h LEU 61 N 0.22 0.84 -0.73 0.16 3.38 -0.94 0.60 115.31 118.84 2jtr h LEU 61 Ca 0.01 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2jtr h LEU 61 Cb 0.90 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2jtr h LEU 61 CO 0.07 0.98 0.21 0.28 0.09 0.00 0.00 178.44 180.07 2jtr h SER 62 N 0.75 1.07 -0.55 -0.43 0.02 -0.71 -1.62 113.55 112.09 2jtr h SER 62 Ca 0.12 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 2jtr h SER 62 Cb 0.64 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2jtr h SER 62 CO 0.04 1.01 0.07 -0.08 -1.14 0.00 0.00 176.83 176.74 2jtr h GLU 63 N 1.08 0.96 0.00 3.45 4.57 -0.80 -1.35 114.58 122.48 2jtr h GLU 63 Ca 0.23 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2jtr h GLU 63 Cb 0.33 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2jtr h GLU 63 CO -0.00 0.90 0.00 -1.33 -1.18 0.00 0.00 179.01 177.39 2jtr n MET 64 N -4.22 0.36 -0.66 1.92 2.81 0.17 -4.89 117.12 112.60 2jtr n MET 64 Ca 0.04 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2jtr n MET 64 Cb 0.28 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 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 0.15 0.63 3.71 3.03 0.00 -0.51 -5.03 105.19 107.17 2jtr n GLY 65 Ca 0.10 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 2.88 0.38 1.61 1.51 -0.69 -4.89 117.35 116.15 2jtr s TYR 66 Ca 0.00 0.44 0.14 0.00 -1.01 0.00 0.00 57.07 56.65 2jtr s TYR 66 Cb 0.00 -4.03 0.83 0.00 -0.11 0.00 0.00 41.96 38.65 2jtr s TYR 66 CO 0.00 -3.90 1.87 1.79 -1.11 0.00 0.00 175.55 174.20 2jtr h THR 67 N 4.06 1.17 -3.08 -0.71 1.35 -1.45 -3.41 112.91 110.83 2jtr h THR 67 Ca -0.43 -1.10 -0.05 0.00 -0.55 0.00 0.00 66.41 64.28 2jtr h THR 67 Cb 1.20 1.60 -0.14 0.00 -1.73 0.00 0.00 68.15 69.09 2jtr h THR 67 CO 0.93 0.31 0.03 -1.38 -0.25 0.00 0.00 175.52 175.16 2jtr s HIS 68 N -4.25 -0.35 -0.04 4.73 0.00 -1.26 -5.12 115.29 108.99 2jtr s HIS 68 Ca -0.03 0.19 -0.14 0.00 -3.00 0.00 0.00 55.06 52.09 2jtr s HIS 68 Cb 0.14 0.35 0.02 0.00 -4.00 0.00 0.00 32.58 29.10 2jtr s HIS 68 CO 0.71 -0.71 0.31 0.08 -1.00 0.00 0.00 174.74 174.12 2jtr s VAL 69 N -3.29 0.04 -0.07 -5.38 1.01 -1.26 -4.19 120.40 107.26 2jtr s VAL 69 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2jtr s VAL 69 Cb 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.84 2jtr s VAL 69 CO -0.08 -0.20 -0.06 -0.70 0.00 0.00 0.00 175.10 174.06 2jtr s GLU 70 N -0.94 1.17 -0.39 2.72 2.12 -0.61 -5.00 118.70 117.77 2jtr s GLU 70 Ca -0.10 -0.17 -0.29 0.00 0.36 0.00 0.00 54.97 54.77 2jtr s GLU 70 Cb -0.05 -1.20 0.01 0.00 0.26 0.00 0.00 34.13 33.15 2jtr s GLU 70 CO 0.03 -0.16 1.28 1.21 -0.54 0.00 0.00 175.26 177.08 2jtr s ASN 71 N 1.31 6.57 0.39 -1.70 3.04 -1.26 -1.23 114.94 122.06 2jtr s ASN 71 Ca -0.04 0.87 0.11 0.00 0.04 0.00 0.00 52.86 53.84 2jtr s ASN 71 Cb -0.14 -2.54 0.79 0.00 -1.54 0.00 0.00 41.25 37.82 2jtr s ASN 71 CO -0.03 -1.23 1.89 0.00 -3.04 0.00 0.00 177.10 174.70 2jtr h ALA 72 N 9.64 1.49 0.00 1.71 0.00 -1.47 -3.48 119.26 127.15 2jtr h ALA 72 Ca -0.25 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jtr h ALA 72 Cb 1.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jtr h ALA 72 CO 1.08 0.37 0.00 0.41 0.00 0.00 0.00 179.25 181.10 2jtr n GLY 73 N -0.75 0.24 3.46 0.00 0.00 -1.26 -4.84 105.19 102.03 2jtr n GLY 73 Ca -0.02 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 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 1.89 0.25 -0.02 0.00 -1.26 -3.97 107.32 104.22 2jtr s GLY 74 Ca 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 44.72 42.77 2jtr s GLY 74 CO 0.00 -1.91 1.71 -2.00 0.00 0.00 0.00 173.10 170.90 2jtr h LEU 75 N 2.24 0.22 0.00 0.66 7.12 -0.91 0.12 115.31 124.75 2jtr h LEU 75 Ca -0.40 0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.74 2jtr h LEU 75 Cb 1.24 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.50 2jtr h LEU 75 CO 0.66 0.05 0.00 0.29 -0.13 0.00 0.00 178.44 179.31 2jtr n LYS 76 N -5.05 0.32 0.00 1.25 5.02 -1.26 -3.90 118.16 114.54 2jtr n LYS 76 Ca 0.16 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 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 -1.29 4.07 -4.72 4.39 2.03 -0.13 -5.01 116.55 115.89 2jtr n ASP 77 Ca 0.11 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.00 2jtr n ASP 77 Cb 0.19 0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.95 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 -1.82 2.05 -0.63 5.18 1.01 -0.27 -4.91 121.20 121.81 2jtr s ILE 78 Ca 0.00 0.03 0.25 0.00 0.00 0.00 0.00 60.65 60.93 2jtr s ILE 78 Cb 0.00 -3.02 0.26 0.00 0.01 0.00 0.00 42.46 39.70 2jtr s ILE 78 CO 0.00 0.00 1.64 0.00 0.00 0.00 0.00 174.94 176.58 2jtr h ALA 79 N 6.61 0.92 -2.53 9.38 0.00 -1.92 -3.47 119.26 128.25 2jtr h ALA 79 Ca -0.43 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.95 2jtr h ALA 79 Cb 1.20 0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.16 2jtr h ALA 79 CO 0.94 0.00 0.33 -1.64 0.00 0.00 0.00 179.25 178.88 2jtr s MET 80 N -3.15 1.75 0.91 0.00 -1.94 -1.26 -5.01 119.30 110.60 2jtr s MET 80 Ca 0.09 1.66 -0.12 0.00 -1.71 0.00 0.00 55.69 55.61 2jtr s MET 80 Cb 0.11 -1.80 0.14 0.00 2.01 0.00 0.00 34.83 35.29 2jtr s MET 80 CO 0.64 -2.11 1.09 -1.25 -0.01 0.00 0.00 175.02 173.38 2jtr s PRO 81 N -4.23 1.10 0.23 2.03 0.04 -1.26 -4.88 135.00 128.03 2jtr s PRO 81 Ca 0.71 0.85 0.07 0.00 0.04 0.00 0.00 61.00 62.67 2jtr s PRO 81 Cb -0.26 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2jtr s PRO 81 CO 0.50 -2.36 -0.09 0.15 0.04 0.00 0.00 177.00 175.24 2jtr s LYS 82 N -4.89 1.39 0.15 4.56 3.01 -1.26 -1.08 119.74 121.60 2jtr s LYS 82 Ca 0.64 -1.66 0.01 0.00 -1.01 0.00 0.00 55.97 53.95 2jtr s LYS 82 Cb -0.19 -1.03 -0.04 0.00 -1.01 0.00 0.00 37.83 35.56 2jtr s LYS 82 CO 0.57 0.09 0.02 0.14 0.51 0.00 0.00 175.35 176.68 2jtr s VAL 83 N -3.07 0.44 0.14 3.17 -7.23 0.04 -4.75 120.40 109.14 2jtr s VAL 83 Ca 0.25 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2jtr s VAL 83 Cb 0.02 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2jtr s VAL 83 CO 0.08 -0.52 -0.03 -0.54 -0.31 0.00 0.00 175.10 173.77 2jtr s LYS 84 N -3.96 0.98 0.00 4.82 1.02 -1.26 -1.10 119.74 120.24 2jtr s LYS 84 Ca 0.22 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.77 2jtr s LYS 84 Cb 0.07 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.12 2jtr s LYS 84 CO 0.02 -0.07 0.38 0.41 -0.92 0.00 0.00 175.35 175.17