#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 0.83 0.02 0.00 2.12 -1.26 -3.64 118.70 116.77 2jtr s GLU 2 Ca 0.00 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.14 2jtr s GLU 2 Cb 0.00 0.37 -0.02 0.00 0.26 0.00 0.00 34.13 34.74 2jtr s GLU 2 CO 0.00 -0.26 -0.03 -1.01 -0.54 0.00 0.00 175.26 173.42 2jtr s HIS 3 N -1.75 0.27 -0.24 5.30 3.76 -1.18 -5.00 115.29 116.44 2jtr s HIS 3 Ca -0.10 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.32 2jtr s HIS 3 Cb -0.03 -0.19 0.05 0.00 1.11 0.00 0.00 32.58 33.52 2jtr s HIS 3 CO 0.03 -0.18 -0.12 -1.58 -0.85 0.00 0.00 174.74 172.04 2jtr s TRP 4 N -1.40 3.13 -0.27 1.40 0.52 -1.26 -0.62 118.94 120.44 2jtr s TRP 4 Ca -0.15 -2.05 0.02 0.00 0.02 0.00 0.00 56.10 53.94 2jtr s TRP 4 Cb -0.10 -1.96 0.07 0.00 -1.15 0.00 0.00 33.47 30.34 2jtr s TRP 4 CO -0.01 -0.84 -0.04 0.42 0.02 0.00 0.00 176.95 176.50 2jtr s ILE 5 N 1.18 1.84 0.41 2.03 1.01 -0.42 -1.12 121.20 126.13 2jtr s ILE 5 Ca -0.04 -1.59 -0.26 0.00 0.00 0.00 0.00 60.65 58.76 2jtr s ILE 5 Cb -0.18 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.09 2jtr s ILE 5 CO -0.07 -0.21 1.31 -0.62 0.00 0.00 0.00 174.94 175.36 2jtr s ASP 6 N 1.22 6.30 0.00 3.58 2.15 0.10 -3.51 116.67 126.50 2jtr s ASP 6 Ca -0.03 2.67 0.00 0.00 0.43 0.00 0.00 52.55 55.63 2jtr s ASP 6 Cb -0.19 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 2jtr s ASP 6 CO -0.07 -0.86 0.61 1.33 -0.17 0.00 0.00 175.17 176.00 2jtr n VAL 7 N 0.13 0.36 -0.80 1.11 0.24 -0.80 -1.26 118.33 117.30 2jtr n VAL 7 Ca 0.04 -0.43 -0.29 0.00 -2.04 0.00 0.00 64.34 61.61 2jtr n VAL 7 Cb 0.43 0.97 0.19 0.00 -1.47 0.00 0.00 33.84 33.96 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 -0.36 0.23 0.58 7.34 1.70 -1.26 -0.92 118.95 126.26 2jtr s ARG 8 Ca 0.00 0.99 -0.20 0.00 -0.47 0.00 0.00 55.73 56.05 2jtr s ARG 8 Cb 0.00 -1.68 -0.04 0.00 -0.57 0.00 0.00 34.95 32.66 2jtr s ARG 8 CO 0.00 -2.99 1.24 1.33 -1.08 0.00 0.00 175.30 173.79 2jtr n VAL 9 N -4.42 4.03 -0.25 4.99 0.24 -1.26 -4.24 118.33 117.40 2jtr n VAL 9 Ca 0.06 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 61.86 2jtr n VAL 9 Cb 0.54 -1.48 0.20 0.00 -1.47 0.00 0.00 33.84 31.64 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 0.99 1.07 0.00 7.34 0.13 -1.97 -0.58 132.00 138.98 2jtr h PRO 10 Ca -0.50 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.50 2jtr h PRO 10 Cb 1.33 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2jtr h PRO 10 CO 0.55 0.73 -0.26 0.93 -0.23 0.00 0.00 178.00 179.72 2jtr h GLU 11 N 1.10 0.00 0.12 0.86 5.08 -2.01 -2.38 114.58 117.35 2jtr h GLU 11 Ca 0.29 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.37 2jtr h GLU 11 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2jtr h GLU 11 CO -0.06 0.26 -1.30 1.96 -1.00 0.00 0.00 179.01 178.86 2jtr h GLN 12 N 0.00 0.26 -0.51 2.33 4.20 -1.49 -3.34 115.11 116.56 2jtr h GLN 12 Ca -0.00 -0.44 0.04 0.00 0.06 0.00 0.00 58.65 58.31 2jtr h GLN 12 Cb 0.59 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.49 2jtr h GLN 12 CO 0.03 1.18 0.27 -0.92 -0.67 0.00 0.00 178.83 178.73 2jtr h TYR 13 N 0.07 0.50 0.00 2.96 3.20 -0.80 -2.61 116.97 120.29 2jtr h TYR 13 Ca -0.16 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 2jtr h TYR 13 Cb 1.98 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 2jtr h TYR 13 CO 0.06 0.26 -0.02 1.96 -1.64 0.00 0.00 178.16 178.79 2jtr h GLN 14 N 0.53 0.00 -0.30 1.82 4.20 -1.61 -3.07 115.11 116.69 2jtr h GLN 14 Ca 0.22 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.83 2jtr h GLN 14 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2jtr h GLN 14 CO -0.13 0.02 -0.23 1.96 -0.67 0.00 0.00 178.83 179.77 2jtr h GLN 15 N 0.00 0.57 0.00 1.46 1.08 -1.62 -2.02 115.11 114.58 2jtr h GLN 15 Ca -0.00 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2jtr h GLN 15 Cb 0.08 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2jtr h GLN 15 CO 0.00 0.76 0.00 -0.85 -0.95 0.00 0.00 178.83 177.79 2jtr n GLU 16 N -4.13 0.00 -3.79 1.46 0.28 -1.16 -4.70 120.64 108.60 2jtr n GLU 16 Ca -0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 2jtr n GLU 16 Cb 0.40 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.20 2jtr n GLU 16 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2jtr s HIS 17 N -1.19 -0.03 0.27 -1.84 -3.43 0.32 -4.84 115.29 104.55 2jtr s HIS 17 Ca 0.00 -0.16 -0.31 0.00 -0.80 0.00 0.00 55.06 53.80 2jtr s HIS 17 Cb 0.00 0.04 -0.12 0.00 -1.43 0.00 0.00 32.58 31.07 2jtr s HIS 17 CO 0.00 -0.48 1.60 0.28 -2.00 0.00 0.00 174.74 174.14 2jtr n VAL 18 N 0.56 0.82 -1.73 -5.38 0.31 -1.26 -0.70 118.33 110.95 2jtr n VAL 18 Ca -0.18 -0.20 -0.41 0.00 -0.01 0.00 0.00 64.34 63.53 2jtr n VAL 18 Cb 0.59 -1.91 0.01 0.00 -0.91 0.00 0.00 33.84 31.62 2jtr n VAL 18 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jtr n GLN 19 N 2.48 2.22 -0.01 5.55 -0.06 -0.35 -2.70 117.38 124.51 2jtr n GLN 19 Ca 0.10 0.78 0.00 0.00 -2.00 0.00 0.00 57.00 55.88 2jtr n GLN 19 Cb 0.36 -2.48 0.00 0.00 -4.06 0.00 0.00 30.24 24.06 2jtr n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jtr n GLY 20 N 0.67 2.67 3.79 1.69 0.00 -1.26 -5.01 105.19 107.73 2jtr n GLY 20 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.91 1.55 0.42 4.61 0.00 -1.10 -4.87 121.76 119.47 2jtr s ALA 21 Ca 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2jtr s ALA 21 Cb 0.00 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2jtr s ALA 21 CO 0.00 -2.89 0.07 -1.50 0.00 0.00 0.00 175.76 171.44 2jtr s ILE 22 N -3.50 1.00 -0.02 0.00 2.07 -0.28 -5.03 121.20 115.45 2jtr s ILE 22 Ca 0.72 -2.00 0.00 0.00 -1.41 0.00 0.00 60.65 57.96 2jtr s ILE 22 Cb -0.07 -2.45 0.02 0.00 0.13 0.00 0.00 42.46 40.09 2jtr s ILE 22 CO 0.54 0.00 0.00 0.21 -1.91 0.00 0.00 174.94 173.78 2jtr s ASN 23 N -3.66 0.25 -0.27 4.50 2.47 -1.26 -0.72 114.94 116.24 2jtr s ASN 23 Ca 0.23 -0.01 -0.04 0.00 0.42 0.00 0.00 52.86 53.46 2jtr s ASN 23 Cb 0.04 -0.12 0.10 0.00 -1.45 0.00 0.00 41.25 39.82 2jtr s ASN 23 CO 0.12 -0.07 0.14 -0.63 -3.72 0.00 0.00 177.10 172.94 2jtr s ILE 24 N 0.70 -0.10 0.64 -5.21 1.01 -0.39 -4.93 121.20 112.91 2jtr s ILE 24 Ca -0.06 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.77 2jtr s ILE 24 Cb -0.09 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 2jtr s ILE 24 CO -0.02 -0.63 0.87 -2.65 0.00 0.00 0.00 174.94 172.51 2jtr n PRO 25 N 5.26 0.70 -0.27 2.79 -0.02 -1.26 -4.20 135.00 138.00 2jtr n PRO 25 Ca -0.06 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.79 2jtr n PRO 25 Cb 0.44 -2.09 0.22 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.20 -0.10 -0.03 2.45 5.85 -1.23 0.28 115.31 122.73 2jtr h LEU 26 Ca -0.48 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2jtr h LEU 26 Cb 1.36 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.67 2jtr h LEU 26 CO 0.49 -0.13 0.00 0.29 -0.34 0.00 0.00 178.44 178.75 2jtr n LYS 27 N -5.24 0.01 -0.00 1.25 5.02 -1.26 -2.94 118.16 114.99 2jtr n LYS 27 Ca 0.17 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2jtr n LYS 27 Cb 0.56 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.52 4.25 -0.04 1.97 -0.58 0.84 -4.81 120.64 120.74 2jtr n GLU 28 Ca 0.03 -0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.65 2jtr n GLU 28 Cb 0.13 -0.72 -0.05 0.00 -0.57 0.00 0.00 31.44 30.23 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 0.00 0.16 -0.31 2.62 2.07 -1.08 -2.81 116.25 116.90 2jtr h VAL 29 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2jtr h VAL 29 Cb 0.03 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2jtr h VAL 29 CO 0.00 0.00 0.22 0.07 0.02 0.00 0.00 177.57 177.88 2jtr h LYS 30 N -0.42 0.12 0.00 1.57 2.10 -1.87 0.72 116.57 118.78 2jtr h LYS 30 Ca 0.10 -0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.67 2jtr h LYS 30 Cb 0.60 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.89 2jtr h LYS 30 CO -0.45 0.08 -0.34 0.93 -2.00 0.00 0.00 179.45 177.67 2jtr h GLU 31 N 0.12 0.00 0.00 0.07 4.39 -1.86 -3.38 114.58 113.92 2jtr h GLU 31 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2jtr h GLU 31 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2jtr h GLU 31 CO -0.02 0.34 -0.99 0.54 -1.16 0.00 0.00 179.01 177.73 2jtr n ARG 32 N -3.43 3.83 -0.02 2.33 3.00 -0.40 -4.76 116.66 117.21 2jtr n ARG 32 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 57.88 2jtr n ARG 32 Cb 0.52 -0.99 0.41 0.00 0.00 0.00 0.00 32.46 32.40 2jtr n ARG 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 2jtr h ILE 33 N 0.00 1.11 0.00 0.55 6.09 -1.10 0.08 117.51 124.23 2jtr h ILE 33 Ca 0.00 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 2jtr h ILE 33 Cb 0.99 0.46 0.00 0.00 0.47 0.00 0.00 36.82 38.74 2jtr h ILE 33 CO 0.00 0.11 0.00 0.00 -3.07 0.00 0.00 178.15 175.19 2jtr n ALA 34 N -2.47 1.23 0.00 0.18 0.00 -1.26 -0.70 120.51 117.49 2jtr n ALA 34 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2jtr n ALA 34 Cb 0.06 -1.06 0.00 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 -1.44 0.00 -0.03 0.00 -1.04 -0.18 -4.16 114.28 107.44 2jtr n THR 35 Ca 0.01 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.99 2jtr n THR 35 Cb 0.04 -0.75 0.20 0.00 -1.82 0.00 0.00 70.33 68.00 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 1.13 -2.45 2.41 0.00 -0.81 -3.35 119.26 116.20 2jtr h ALA 36 Ca 0.00 -0.30 -0.59 0.00 0.00 0.00 0.00 54.91 54.02 2jtr h ALA 36 Cb 0.95 -0.15 -0.39 0.00 0.00 0.00 0.00 17.79 18.21 2jtr h ALA 36 CO 0.00 0.55 -0.92 0.28 0.00 0.00 0.00 179.25 179.16 2jtr n VAL 37 N -4.18 -0.70 0.95 0.00 0.31 0.13 -5.02 118.33 109.82 2jtr n VAL 37 Ca 0.01 -3.71 0.00 0.00 -0.01 0.00 0.00 64.34 60.63 2jtr n VAL 37 Cb 0.35 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 2jtr n VAL 37 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jtr n PRO 38 N 2.58 0.83 -3.58 5.55 -0.04 -1.26 -4.51 135.00 134.58 2jtr n PRO 38 Ca 0.28 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.54 2jtr n PRO 38 Cb 0.46 -1.35 -0.15 0.00 -0.04 0.00 0.00 33.50 32.42 2jtr n PRO 38 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jtr s ASP 39 N -0.32 1.47 0.67 3.54 2.15 -1.26 -5.00 116.67 117.92 2jtr s ASP 39 Ca 0.00 -0.17 0.45 0.00 0.43 0.00 0.00 52.55 53.26 2jtr s ASP 39 Cb 0.00 0.15 2.42 0.00 -0.30 0.00 0.00 42.92 45.20 2jtr s ASP 39 CO 0.00 -0.31 2.37 0.07 -0.17 0.00 0.00 175.17 177.13 2jtr h LYS 40 N 8.36 0.00 0.00 4.34 2.10 -1.92 -1.80 116.57 127.66 2jtr h LYS 40 Ca -0.15 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.49 2jtr h LYS 40 Cb 1.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2jtr h LYS 40 CO 0.24 0.00 -0.03 -0.97 -2.00 0.00 0.00 179.45 176.69 2jtr h ASN 41 N 0.00 0.00 -4.03 7.07 -1.24 -1.96 -3.25 115.58 112.17 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 0.01 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.08 2jtr h ASN 41 CO 0.00 0.03 0.39 -0.62 -1.29 0.00 0.00 177.43 175.94 2jtr s ASP 42 N -6.17 6.54 0.39 1.15 2.15 -0.68 -4.83 116.67 115.23 2jtr s ASP 42 Ca 0.06 1.96 -0.25 0.00 0.43 0.00 0.00 52.55 54.76 2jtr s ASP 42 Cb 0.06 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 40.02 2jtr s ASP 42 CO 0.66 -0.64 1.09 -0.89 -0.17 0.00 0.00 175.17 175.21 2jtr s THR 43 N -1.86 3.54 0.00 1.71 2.01 -1.24 -4.65 115.64 115.16 2jtr s THR 43 Ca 0.63 1.23 0.01 0.00 0.31 0.00 0.00 61.69 63.87 2jtr s THR 43 Cb -0.18 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.66 2jtr s THR 43 CO 0.23 0.06 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.50 2jtr s VAL 44 N -1.55 0.19 -0.05 3.82 1.01 -0.44 -3.09 120.40 120.28 2jtr s VAL 44 Ca 0.57 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.39 2jtr s VAL 44 Cb -0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2jtr s VAL 44 CO 0.32 -0.02 -0.24 -0.54 0.00 0.00 0.00 175.10 174.61 2jtr s LYS 45 N -0.26 2.38 0.03 2.72 1.02 0.21 -1.32 119.74 124.51 2jtr s LYS 45 Ca -0.01 -0.87 0.05 0.00 0.02 0.00 0.00 55.97 55.16 2jtr s LYS 45 Cb -0.02 -2.05 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 2jtr s LYS 45 CO -0.00 0.38 -0.15 0.14 -0.92 0.00 0.00 175.35 174.80 2jtr s VAL 46 N -0.19 1.19 0.19 3.17 -7.23 -0.35 -1.30 120.40 115.88 2jtr s VAL 46 Ca -0.02 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 59.08 2jtr s VAL 46 Cb -0.13 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.76 2jtr s VAL 46 CO 0.03 0.10 0.39 -0.72 -0.31 0.00 0.00 175.10 174.59 2jtr s TYR 47 N -0.73 0.25 0.07 2.82 1.13 -1.23 -1.06 117.35 118.60 2jtr s TYR 47 Ca 0.03 -0.60 -0.10 0.00 -1.41 0.00 0.00 57.07 54.99 2jtr s TYR 47 Cb -0.07 0.12 0.04 0.00 -1.10 0.00 0.00 41.96 40.94 2jtr s TYR 47 CO 0.01 -0.84 0.49 0.00 -2.51 0.00 0.00 175.55 172.71 2jtr s ASN 49 N -2.16 6.63 -1.09 0.00 3.84 -1.26 -2.43 114.94 118.47 2jtr s ASN 49 Ca 0.11 2.45 0.00 0.00 0.21 0.00 0.00 52.86 55.63 2jtr s ASN 49 Cb -0.01 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 2jtr s ASN 49 CO 0.02 -0.87 0.00 0.00 -2.79 0.00 0.00 177.10 173.47 2jtr n ALA 50 N 5.50 -0.16 -0.14 1.71 0.00 -1.26 -3.62 120.51 122.55 2jtr n ALA 50 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2jtr n ALA 50 Cb 0.41 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.74 0.24 0.00 0.00 -1.22 -4.87 105.19 101.04 2jtr n GLY 51 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 1.42 -0.37 0.00 1.61 3.08 -1.89 -0.26 114.38 117.96 2jtr h ARG 52 Ca 0.00 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2jtr h ARG 52 Cb 0.00 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2jtr h ARG 52 CO 0.00 -0.25 -0.26 1.96 -1.07 0.00 0.00 179.97 180.35 2jtr h GLN 53 N -0.38 0.00 -0.01 0.04 7.50 -1.89 0.26 115.11 120.63 2jtr h GLN 53 Ca 0.02 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.08 2jtr h GLN 53 Cb 0.40 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.94 2jtr h GLN 53 CO -0.10 0.26 -0.36 0.77 -1.50 0.00 0.00 178.83 177.90 2jtr h SER 54 N 0.00 0.34 -0.74 1.46 0.02 -1.71 0.76 113.55 113.68 2jtr h SER 54 Ca -0.00 -0.75 0.08 0.00 -0.84 0.00 0.00 61.79 60.27 2jtr h SER 54 Cb 0.51 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 2jtr h SER 54 CO 0.03 1.04 0.41 1.23 -1.14 0.00 0.00 176.83 178.41 2jtr h GLY 55 N -0.34 1.12 1.01 -3.77 0.00 -0.78 -0.62 103.07 99.70 2jtr h GLY 55 Ca -0.04 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 2jtr h GLY 55 CO 0.07 0.13 -0.06 -1.61 0.00 0.00 0.00 176.54 175.08 2jtr h GLN 56 N 0.72 0.86 -0.23 4.80 5.75 -0.92 -3.04 115.11 123.05 2jtr h GLN 56 Ca 0.35 -0.30 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 2jtr h GLN 56 Cb 0.28 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2jtr h GLN 56 CO -0.22 0.94 -0.18 0.00 -2.65 0.00 0.00 178.83 176.71 2jtr h ALA 57 N 0.90 1.26 -0.82 3.38 0.00 -0.24 -2.22 119.26 121.52 2jtr h ALA 57 Ca 0.13 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2jtr h ALA 57 Cb 0.58 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2jtr h ALA 57 CO 0.04 0.49 0.53 0.87 0.00 0.00 0.00 179.25 181.17 2jtr h LYS 58 N 0.37 0.84 0.32 0.00 1.57 -1.01 -0.67 116.57 117.99 2jtr h LYS 58 Ca 0.06 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2jtr h LYS 58 Cb 0.54 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2jtr h LYS 58 CO 0.04 0.55 -0.16 0.93 -0.57 0.00 0.00 179.45 180.24 2jtr h GLU 59 N 0.86 -0.42 -0.35 3.15 5.08 -1.43 -1.32 114.58 120.16 2jtr h GLU 59 Ca 0.36 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.68 2jtr h GLU 59 Cb 0.28 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2jtr h GLU 59 CO -0.13 -0.11 -0.08 -0.84 -1.00 0.00 0.00 179.01 176.85 2jtr h ILE 60 N -0.74 1.23 -0.18 3.13 3.07 -1.40 -1.38 117.51 121.25 2jtr h ILE 60 Ca -0.04 -0.99 -0.15 0.00 1.55 0.00 0.00 64.86 65.23 2jtr h ILE 60 Cb 0.50 1.05 -0.01 0.00 -0.27 0.00 0.00 36.82 38.09 2jtr h ILE 60 CO 0.07 0.33 -0.51 -0.07 -1.05 0.00 0.00 178.15 176.92 2jtr h LEU 61 N 0.54 0.55 -0.85 0.16 3.38 -1.14 -0.31 115.31 117.63 2jtr h LEU 61 Ca 0.10 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2jtr h LEU 61 Cb 0.47 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2jtr h LEU 61 CO 0.02 0.96 0.15 0.28 0.09 0.00 0.00 178.44 179.95 2jtr h SER 62 N 0.39 0.94 -0.32 -0.43 0.02 -0.64 0.24 113.55 113.76 2jtr h SER 62 Ca 0.01 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.66 2jtr h SER 62 Cb 1.03 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2jtr h SER 62 CO 0.09 0.91 -0.21 -0.33 -1.14 0.00 0.00 176.83 176.16 2jtr h GLU 63 N 0.95 0.80 -0.24 3.45 4.39 -0.91 -2.66 114.58 120.37 2jtr h GLU 63 Ca 0.20 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 2jtr h GLU 63 Cb 0.35 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2jtr h GLU 63 CO 0.00 0.94 -0.17 0.52 -1.16 0.00 0.00 179.01 179.14 2jtr h MET 64 N 0.70 0.42 0.00 2.33 2.86 -0.77 -3.47 114.93 116.99 2jtr h MET 64 Ca 0.10 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2jtr h MET 64 Cb 0.73 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2jtr h MET 64 CO 0.06 0.58 0.00 0.41 1.06 0.00 0.00 176.91 179.02 2jtr n GLY 65 N -0.60 0.15 3.77 8.32 0.00 -0.09 -5.09 105.19 111.66 2jtr n GLY 65 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.88 2.89 -0.00 1.61 1.51 -0.27 -4.91 117.35 117.30 2jtr s TYR 66 Ca 0.00 1.43 0.00 0.00 -1.01 0.00 0.00 57.07 57.49 2jtr s TYR 66 Cb 0.00 -3.65 0.01 0.00 -0.11 0.00 0.00 41.96 38.21 2jtr s TYR 66 CO 0.00 -1.96 0.74 0.25 -1.11 0.00 0.00 175.55 173.47 2jtr n THR 67 N 0.27 0.48 -2.44 -0.71 -2.24 -1.23 -4.00 114.28 104.41 2jtr n THR 67 Ca 0.03 -0.48 0.02 0.00 -2.27 0.00 0.00 64.05 61.35 2jtr n THR 67 Cb 0.43 0.74 0.05 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.25 0.41 -3.27 4.78 8.25 -1.26 -5.06 115.22 118.82 2jtr n HIS 68 Ca 0.00 -1.08 -0.37 0.00 -0.26 0.00 0.00 57.72 56.01 2jtr n HIS 68 Cb 0.40 -0.19 -0.06 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.48 4.74 0.00 1.59 1.01 -1.26 -1.33 120.40 123.67 2jtr s VAL 69 Ca 0.34 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.46 2jtr s VAL 69 Cb 0.37 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2jtr s VAL 69 CO -0.12 0.42 -0.06 -1.61 0.00 0.00 0.00 175.10 173.74 2jtr s GLU 70 N -1.46 0.43 -0.41 2.72 2.02 -0.44 -4.96 118.70 116.61 2jtr s GLU 70 Ca 0.33 -0.28 -0.26 0.00 0.02 0.00 0.00 54.97 54.79 2jtr s GLU 70 Cb -0.18 -0.38 0.02 0.00 0.10 0.00 0.00 34.13 33.69 2jtr s GLU 70 CO 0.19 0.10 0.94 1.21 0.02 0.00 0.00 175.26 177.72 2jtr s ASN 71 N -0.37 6.60 0.38 -0.19 3.04 -1.26 -1.21 114.94 121.94 2jtr s ASN 71 Ca -0.00 0.38 0.12 0.00 0.04 0.00 0.00 52.86 53.41 2jtr s ASN 71 Cb -0.03 -2.46 0.76 0.00 -1.54 0.00 0.00 41.25 37.97 2jtr s ASN 71 CO -0.00 -0.96 1.85 0.00 -3.04 0.00 0.00 177.10 174.95 2jtr h ALA 72 N 8.77 1.43 0.00 1.71 0.00 -1.45 -3.47 119.26 126.25 2jtr h ALA 72 Ca -0.24 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jtr h ALA 72 Cb 1.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jtr h ALA 72 CO 1.01 0.42 0.00 0.41 0.00 0.00 0.00 179.25 181.09 2jtr n GLY 73 N -0.57 0.18 3.44 0.00 0.00 -1.26 -4.87 105.19 102.10 2jtr n GLY 73 Ca -0.02 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 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 1.98 0.24 -0.02 0.00 -1.26 -3.96 107.32 104.30 2jtr s GLY 74 Ca 0.00 -2.00 -0.12 0.00 0.00 0.00 0.00 44.72 42.60 2jtr s GLY 74 CO 0.00 -1.82 1.59 -2.00 0.00 0.00 0.00 173.10 170.87 2jtr h LEU 75 N 2.18 -0.79 0.00 0.66 5.85 -1.84 -0.40 115.31 120.97 2jtr h LEU 75 Ca -0.40 0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.44 2jtr h LEU 75 Cb 1.24 0.51 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 2jtr h LEU 75 CO 0.69 -0.27 -1.40 0.29 -0.34 0.00 0.00 178.44 177.41 2jtr n LYS 76 N -5.52 0.62 -0.05 1.25 4.76 -1.26 -4.03 118.16 113.93 2jtr n LYS 76 Ca 0.11 0.15 -0.11 0.00 -2.87 0.00 0.00 58.31 55.59 2jtr n LYS 76 Cb 0.41 -1.77 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 2jtr n LYS 76 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2jtr h ASP 77 N 0.00 0.81 -2.81 4.39 3.58 -1.71 -3.40 116.42 117.27 2jtr h ASP 77 Ca -0.12 -0.39 -0.57 0.00 0.42 0.00 0.00 57.03 56.36 2jtr h ASP 77 Cb 1.41 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.20 2jtr h ASP 77 CO 0.03 1.14 1.14 -0.63 -2.88 0.00 0.00 179.24 178.04 2jtr s ILE 78 N -4.21 3.69 -1.10 2.25 1.01 -0.26 -4.89 121.20 117.70 2jtr s ILE 78 Ca -0.09 0.76 0.22 0.00 0.00 0.00 0.00 60.65 61.54 2jtr s ILE 78 Cb 0.11 -3.76 0.23 0.00 0.01 0.00 0.00 42.46 39.06 2jtr s ILE 78 CO 0.86 -0.36 1.72 0.00 0.00 0.00 0.00 174.94 177.16 2jtr n ALA 79 N 8.78 2.06 -1.60 9.38 0.00 -1.26 -4.87 120.51 132.99 2jtr n ALA 79 Ca 0.19 -0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 2jtr n ALA 79 Cb 0.46 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.90 2.38 0.81 0.00 -1.94 -1.26 -4.99 119.30 111.40 2jtr s MET 80 Ca 0.13 1.98 -0.10 0.00 -1.71 0.00 0.00 55.69 55.99 2jtr s MET 80 Cb 0.15 -1.84 0.08 0.00 2.01 0.00 0.00 34.83 35.23 2jtr s MET 80 CO 0.39 -1.70 1.11 -1.25 -0.01 0.00 0.00 175.02 173.56 2jtr s PRO 81 N -3.54 1.91 0.04 2.03 0.04 -1.26 -4.89 135.00 129.33 2jtr s PRO 81 Ca 0.80 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 2jtr s PRO 81 Cb -0.35 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2jtr s PRO 81 CO 0.42 -1.92 0.02 -1.59 0.04 0.00 0.00 177.00 173.96 2jtr s LYS 82 N -4.83 0.56 0.05 4.56 0.00 -1.26 -1.20 119.74 117.61 2jtr s LYS 82 Ca 0.63 -0.96 -0.02 0.00 0.00 0.00 0.00 55.97 55.62 2jtr s LYS 82 Cb -0.19 0.20 -0.04 0.00 0.00 0.00 0.00 37.83 37.81 2jtr s LYS 82 CO 0.57 -0.12 -0.01 0.14 0.00 0.00 0.00 175.35 175.93 2jtr s VAL 83 N -3.08 0.21 0.33 1.79 -7.23 0.12 -4.84 120.40 107.70 2jtr s VAL 83 Ca -0.01 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2jtr s VAL 83 Cb 0.02 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.46 2jtr s VAL 83 CO -0.07 -0.94 0.07 -1.59 -0.31 0.00 0.00 175.10 172.26 2jtr s LYS 84 N -3.77 1.65 0.00 4.82 -2.85 -1.26 -0.52 119.74 117.80 2jtr s LYS 84 Ca 0.06 -1.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.10 2jtr s LYS 84 Cb 0.07 -0.77 0.00 0.00 -2.06 0.00 0.00 37.83 35.07 2jtr s LYS 84 CO -0.10 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.53