#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 1.03 0.02 0.00 2.12 -1.26 -4.13 118.70 116.48 2jtr s GLU 2 Ca 0.00 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.03 2jtr s GLU 2 Cb 0.00 0.47 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 2jtr s GLU 2 CO 0.00 -0.38 -0.04 -1.01 -0.54 0.00 0.00 175.26 173.30 2jtr s HIS 3 N -2.64 0.31 -0.14 5.30 3.76 -1.00 -4.99 115.29 115.89 2jtr s HIS 3 Ca -0.04 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.50 2jtr s HIS 3 Cb -0.00 -0.20 0.01 0.00 1.11 0.00 0.00 32.58 33.49 2jtr s HIS 3 CO -0.03 -0.12 -0.21 -1.58 -0.85 0.00 0.00 174.74 171.94 2jtr s TRP 4 N -1.07 2.67 -0.25 1.40 0.52 -1.26 -0.89 118.94 120.06 2jtr s TRP 4 Ca -0.10 -1.29 0.02 0.00 0.02 0.00 0.00 56.10 54.74 2jtr s TRP 4 Cb -0.08 -1.82 0.06 0.00 -1.15 0.00 0.00 33.47 30.49 2jtr s TRP 4 CO -0.00 -0.58 -0.06 0.42 0.02 0.00 0.00 176.95 176.74 2jtr s ILE 5 N 0.78 1.77 -0.18 2.03 1.01 -0.23 -1.81 121.20 124.57 2jtr s ILE 5 Ca -0.08 -1.45 -0.29 0.00 0.00 0.00 0.00 60.65 58.84 2jtr s ILE 5 Cb -0.16 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 2jtr s ILE 5 CO -0.01 -0.13 1.30 -0.62 0.00 0.00 0.00 174.94 175.48 2jtr s ASP 6 N 1.27 6.88 -0.09 3.58 2.15 0.07 -2.50 116.67 128.03 2jtr s ASP 6 Ca -0.05 1.64 0.16 0.00 0.43 0.00 0.00 52.55 54.73 2jtr s ASP 6 Cb -0.19 -2.54 0.57 0.00 -0.30 0.00 0.00 42.92 40.46 2jtr s ASP 6 CO -0.07 -0.83 1.49 1.33 -0.17 0.00 0.00 175.17 176.92 2jtr n VAL 7 N 5.53 1.66 -0.99 1.11 0.24 -0.17 -1.69 118.33 124.03 2jtr n VAL 7 Ca 0.14 -1.27 -0.34 0.00 -2.04 0.00 0.00 64.34 60.84 2jtr n VAL 7 Cb 0.45 0.17 0.12 0.00 -1.47 0.00 0.00 33.84 33.11 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 0.67 -0.02 -1.61 7.34 1.74 -1.26 -2.69 116.66 120.84 2jtr n ARG 8 Ca 0.21 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.95 2jtr n ARG 8 Cb 0.75 -2.12 0.02 0.00 -1.02 0.00 0.00 32.46 30.10 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 -3.32 2.75 0.18 1.55 0.24 -1.26 -3.85 118.33 114.62 2jtr n VAL 9 Ca 0.10 -0.50 0.04 0.00 -2.04 0.00 0.00 64.34 61.95 2jtr n VAL 9 Cb 0.51 -1.14 0.46 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 1.20 0.11 0.00 7.34 0.13 -1.98 -0.67 132.00 138.13 2jtr h PRO 10 Ca -0.46 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2jtr h PRO 10 Cb 1.35 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 2jtr h PRO 10 CO 0.55 0.25 -0.10 0.93 -0.23 0.00 0.00 178.00 179.40 2jtr h GLU 11 N 0.10 0.00 0.06 0.86 4.39 -2.01 -2.85 114.58 115.13 2jtr h GLU 11 Ca 0.02 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.40 2jtr h GLU 11 Cb 0.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2jtr h GLU 11 CO 0.02 0.10 -1.80 1.96 -1.16 0.00 0.00 179.01 178.13 2jtr h GLN 12 N 0.00 0.12 -0.63 2.33 4.20 -1.49 -3.34 115.11 116.30 2jtr h GLN 12 Ca -0.00 -0.21 0.12 0.00 0.06 0.00 0.00 58.65 58.62 2jtr h GLN 12 Cb 0.64 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.41 2jtr h GLN 12 CO 0.01 0.83 0.17 -0.92 -0.67 0.00 0.00 178.83 178.25 2jtr h TYR 13 N 0.03 0.28 0.00 2.96 3.20 -1.31 -2.21 116.97 119.92 2jtr h TYR 13 Ca -0.33 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 2jtr h TYR 13 Cb 2.02 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 40.26 2jtr h TYR 13 CO 0.04 -0.00 -0.02 1.96 -1.64 0.00 0.00 178.16 178.49 2jtr h GLN 14 N 0.31 0.00 -0.00 1.82 4.20 -1.63 -3.24 115.11 116.56 2jtr h GLN 14 Ca 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 2jtr h GLN 14 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2jtr h GLN 14 CO -0.40 0.02 -0.01 1.96 -0.67 0.00 0.00 178.83 179.73 2jtr h GLN 15 N 0.00 0.01 -1.87 1.46 1.08 -1.55 -3.39 115.11 110.86 2jtr h GLN 15 Ca -0.00 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2jtr h GLN 15 Cb 0.18 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.39 2jtr h GLN 15 CO 0.00 0.69 0.15 -2.00 -0.95 0.00 0.00 178.83 176.72 2jtr s GLU 16 N -3.49 0.64 0.12 1.46 2.12 -1.22 -1.54 118.70 116.79 2jtr s GLU 16 Ca -0.17 1.02 -0.13 0.00 0.36 0.00 0.00 54.97 56.05 2jtr s GLU 16 Cb -0.00 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.59 2jtr s GLU 16 CO 0.68 -0.12 0.33 -3.38 -0.54 0.00 0.00 175.26 172.23 2jtr s HIS 17 N 1.26 -0.03 -0.41 5.30 -3.43 -0.42 -4.79 115.29 112.76 2jtr s HIS 17 Ca -0.07 -0.33 -0.28 0.00 -0.80 0.00 0.00 55.06 53.58 2jtr s HIS 17 Cb -0.05 0.14 -0.02 0.00 -1.43 0.00 0.00 32.58 31.22 2jtr s HIS 17 CO -0.14 -0.67 1.82 0.08 -2.00 0.00 0.00 174.74 173.83 2jtr s VAL 18 N -3.84 3.44 0.14 -5.38 1.01 -1.26 -1.11 120.40 113.40 2jtr s VAL 18 Ca 0.05 0.41 -0.33 0.00 0.00 0.00 0.00 61.98 62.11 2jtr s VAL 18 Cb 0.03 -3.71 -0.17 0.00 0.00 0.00 0.00 36.38 32.52 2jtr s VAL 18 CO -0.10 -0.53 0.97 0.00 0.00 0.00 0.00 175.10 175.44 2jtr n GLN 19 N 8.62 0.56 0.00 2.72 0.00 -1.26 -2.01 117.38 126.01 2jtr n GLN 19 Ca 0.23 0.20 0.00 0.00 0.00 0.00 0.00 57.00 57.42 2jtr n GLN 19 Cb 0.48 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 29.16 2jtr n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jtr n GLY 20 N 1.85 2.87 3.71 2.61 0.00 -1.26 -5.04 105.19 109.93 2jtr n GLY 20 Ca 0.17 0.00 -0.42 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 -2.25 3.65 0.68 4.61 0.00 -0.85 -4.83 121.76 122.77 2jtr s ALA 21 Ca 0.00 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 2jtr s ALA 21 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2jtr s ALA 21 CO 0.00 -0.70 1.10 -1.50 0.00 0.00 0.00 175.76 174.66 2jtr s ILE 22 N 1.24 3.38 -0.21 0.00 2.07 -0.75 -4.76 121.20 122.17 2jtr s ILE 22 Ca 0.67 0.59 -0.04 0.00 -1.41 0.00 0.00 60.65 60.46 2jtr s ILE 22 Cb -0.39 -3.11 -0.01 0.00 0.13 0.00 0.00 42.46 39.08 2jtr s ILE 22 CO 0.30 -0.45 -0.04 0.21 -1.91 0.00 0.00 174.94 173.05 2jtr s ASN 23 N -2.86 4.37 -0.44 4.50 3.04 -1.26 -0.75 114.94 121.54 2jtr s ASN 23 Ca 0.65 -0.36 0.03 0.00 0.04 0.00 0.00 52.86 53.22 2jtr s ASN 23 Cb -0.19 -1.75 0.16 0.00 -1.54 0.00 0.00 41.25 37.93 2jtr s ASN 23 CO 0.45 0.00 0.31 -0.63 -3.04 0.00 0.00 177.10 174.19 2jtr s ILE 24 N 1.34 0.86 0.63 -5.21 1.01 -0.68 -4.98 121.20 114.18 2jtr s ILE 24 Ca 0.04 -2.65 -0.17 0.00 0.00 0.00 0.00 60.65 57.87 2jtr s ILE 24 Cb -0.14 -1.60 -0.07 0.00 0.01 0.00 0.00 42.46 40.65 2jtr s ILE 24 CO -0.02 -1.08 0.49 -2.65 0.00 0.00 0.00 174.94 171.68 2jtr n PRO 25 N 3.13 0.42 -0.31 2.79 -0.02 -1.25 -4.26 135.00 135.51 2jtr n PRO 25 Ca 0.20 0.17 0.15 0.00 -2.02 0.00 0.00 63.50 62.00 2jtr n PRO 25 Cb 0.41 -1.72 0.32 0.00 -0.02 0.00 0.00 33.50 32.49 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 0.01 0.04 -0.62 2.45 5.85 -1.75 0.27 115.31 121.55 2jtr h LEU 26 Ca -0.45 0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 2jtr h LEU 26 Cb 1.38 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.65 2jtr h LEU 26 CO 0.45 -0.17 0.20 0.11 -0.34 0.00 0.00 178.44 178.69 2jtr h LYS 27 N 0.20 0.96 0.00 1.25 1.57 -1.91 -3.08 116.57 115.56 2jtr h LYS 27 Ca 0.58 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 59.12 2jtr h LYS 27 Cb 1.21 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2jtr h LYS 27 CO -0.67 0.84 -0.20 0.93 -0.57 0.00 0.00 179.45 179.79 2jtr h GLU 28 N 0.88 0.00 -0.75 3.15 4.39 -0.84 -3.23 114.58 118.18 2jtr h GLU 28 Ca 0.20 0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.05 2jtr h GLU 28 Cb 0.28 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.83 2jtr h GLU 28 CO -0.01 0.20 0.27 0.28 -1.16 0.00 0.00 179.01 178.59 2jtr h VAL 29 N 0.00 0.62 0.00 3.13 2.07 -1.12 -0.12 116.25 120.83 2jtr h VAL 29 Ca -0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2jtr h VAL 29 Cb 0.90 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2jtr h VAL 29 CO 0.03 0.07 0.00 0.11 0.02 0.00 0.00 177.57 177.80 2jtr h LYS 30 N 0.40 0.00 0.00 1.57 1.57 -1.73 -2.03 116.57 116.34 2jtr h LYS 30 Ca 0.42 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2jtr h LYS 30 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 2jtr h LYS 30 CO -0.43 0.00 -1.14 -1.91 -0.57 0.00 0.00 179.45 175.40 2jtr n GLU 31 N -2.38 0.19 0.00 3.15 2.13 -0.21 -4.87 120.64 118.64 2jtr n GLU 31 Ca -0.01 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2jtr n GLU 31 Cb 0.08 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 30.71 2jtr n GLU 31 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jtr n ARG 32 N -1.62 3.48 -0.31 5.31 0.63 -0.32 -4.73 116.66 119.10 2jtr n ARG 32 Ca -0.01 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.90 2jtr n ARG 32 Cb 0.09 -0.38 0.14 0.00 0.45 0.00 0.00 32.46 32.76 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 1.24 -0.49 5.15 6.09 -1.57 -1.03 117.51 126.90 2jtr h ILE 33 Ca 0.00 -0.54 -0.03 0.00 -1.37 0.00 0.00 64.86 62.92 2jtr h ILE 33 Cb 0.00 0.01 -0.02 0.00 0.47 0.00 0.00 36.82 37.28 2jtr h ILE 33 CO 0.00 0.26 0.17 0.00 -3.07 0.00 0.00 178.15 175.51 2jtr h ALA 34 N 1.36 1.39 -0.24 0.18 0.00 -1.83 0.40 119.26 120.52 2jtr h ALA 34 Ca 0.31 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jtr h ALA 34 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2jtr h ALA 34 CO -0.06 0.46 -0.11 1.15 0.00 0.00 0.00 179.25 180.69 2jtr h THR 35 N 0.70 1.30 -0.22 0.00 2.02 -1.63 -3.02 112.91 112.06 2jtr h THR 35 Ca 0.17 -1.19 -0.20 0.00 0.77 0.00 0.00 66.41 65.96 2jtr h THR 35 Cb 0.18 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.15 2jtr h THR 35 CO -0.01 0.37 -0.66 0.00 0.37 0.00 0.00 175.52 175.59 2jtr h ALA 36 N 0.73 0.42 -2.54 6.16 0.00 -0.83 -3.41 119.26 119.80 2jtr h ALA 36 Ca 0.05 -0.56 -0.58 0.00 0.00 0.00 0.00 54.91 53.83 2jtr h ALA 36 Cb 0.61 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 17.97 2jtr h ALA 36 CO 0.03 0.69 -0.88 0.08 0.00 0.00 0.00 179.25 179.17 2jtr s VAL 37 N -3.94 0.21 0.11 0.00 1.01 0.10 -4.99 120.40 112.90 2jtr s VAL 37 Ca -0.10 -1.94 0.18 0.00 0.00 0.00 0.00 61.98 60.12 2jtr s VAL 37 Cb 0.10 -1.16 0.12 0.00 0.00 0.00 0.00 36.38 35.43 2jtr s VAL 37 CO 0.89 -1.05 1.68 1.55 0.00 0.00 0.00 175.10 178.18 2jtr h PRO 38 N 6.69 0.00 -7.15 2.72 0.13 -1.75 -3.40 132.00 129.25 2jtr h PRO 38 Ca 0.11 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.73 2jtr h PRO 38 Cb 0.95 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.18 2jtr h PRO 38 CO 0.29 0.40 0.40 0.34 -0.23 0.00 0.00 178.00 179.21 2jtr s ASP 39 N -6.43 5.30 -0.20 1.44 2.15 -1.26 -5.01 116.67 112.65 2jtr s ASP 39 Ca 0.01 2.12 0.16 0.00 0.43 0.00 0.00 52.55 55.27 2jtr s ASP 39 Cb 0.10 -2.57 0.46 0.00 -0.30 0.00 0.00 42.92 40.61 2jtr s ASP 39 CO 0.70 -1.51 1.17 0.29 -0.17 0.00 0.00 175.17 175.65 2jtr n LYS 40 N -1.95 1.81 0.00 4.34 5.02 -1.26 -4.81 118.16 121.31 2jtr n LYS 40 Ca 0.11 -3.29 0.00 0.00 -2.02 0.00 0.00 58.31 53.11 2jtr n LYS 40 Cb 0.51 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 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 -0.50 0.00 -4.74 4.39 5.15 -1.26 -4.79 115.26 113.51 2jtr n ASN 41 Ca 0.20 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.82 2jtr n ASN 41 Cb 0.90 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 40.20 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 -1.80 4.91 0.23 1.20 2.15 -1.26 -4.89 116.67 117.21 2jtr s ASP 42 Ca 0.00 2.43 -0.31 0.00 0.43 0.00 0.00 52.55 55.10 2jtr s ASP 42 Cb 0.00 -2.60 -0.11 0.00 -0.30 0.00 0.00 42.92 39.91 2jtr s ASP 42 CO 0.00 -1.78 1.59 -0.89 -0.17 0.00 0.00 175.17 173.92 2jtr s THR 43 N -1.62 2.30 -0.01 1.71 2.01 -1.26 -4.87 115.64 113.89 2jtr s THR 43 Ca 0.78 0.23 0.03 0.00 0.31 0.00 0.00 61.69 63.04 2jtr s THR 43 Cb -0.32 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 2jtr s THR 43 CO 0.36 0.03 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.54 2jtr s VAL 44 N 0.60 0.77 -0.03 3.82 1.01 -1.07 -2.36 120.40 123.14 2jtr s VAL 44 Ca 0.67 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.32 2jtr s VAL 44 Cb -0.46 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2jtr s VAL 44 CO 0.39 0.22 -0.25 -0.54 0.00 0.00 0.00 175.10 174.92 2jtr s LYS 45 N -0.16 2.19 0.01 2.72 1.02 -0.07 -2.08 119.74 123.37 2jtr s LYS 45 Ca 0.03 -0.90 0.08 0.00 0.02 0.00 0.00 55.97 55.20 2jtr s LYS 45 Cb -0.05 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 2jtr s LYS 45 CO -0.00 0.49 -0.26 0.14 -0.92 0.00 0.00 175.35 174.80 2jtr s VAL 46 N -0.45 2.06 0.14 3.17 -7.23 -0.34 -1.07 120.40 116.67 2jtr s VAL 46 Ca 0.06 -1.22 -0.09 0.00 -1.81 0.00 0.00 61.98 58.92 2jtr s VAL 46 Cb -0.11 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 2jtr s VAL 46 CO 0.00 0.48 0.24 -0.72 -0.31 0.00 0.00 175.10 174.79 2jtr s TYR 47 N -0.69 0.33 0.00 2.82 -0.85 -1.04 -1.12 117.35 116.81 2jtr s TYR 47 Ca 0.11 -0.72 0.00 0.00 -0.52 0.00 0.00 57.07 55.93 2jtr s TYR 47 Cb -0.10 -0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.17 2jtr s TYR 47 CO 0.00 -0.65 0.00 0.00 -1.52 0.00 0.00 175.55 173.38 2jtr s ASN 49 N 1.99 6.65 -1.29 0.00 3.84 -1.26 -1.40 114.94 123.47 2jtr s ASN 49 Ca 0.00 0.77 0.00 0.00 0.21 0.00 0.00 52.86 53.84 2jtr s ASN 49 Cb 0.00 -2.27 0.00 0.00 -0.55 0.00 0.00 41.25 38.43 2jtr s ASN 49 CO 0.00 0.02 0.00 0.00 -2.79 0.00 0.00 177.10 174.33 2jtr n ALA 50 N 3.62 -0.19 0.00 1.71 0.00 -1.26 -3.70 120.51 120.70 2jtr n ALA 50 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2jtr n ALA 50 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.05 1.37 0.19 0.00 0.00 -1.26 -4.82 105.19 100.61 2jtr n GLY 51 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 0.77 0.59 -0.03 1.61 2.47 -1.94 -0.16 114.38 117.69 2jtr h ARG 52 Ca 0.00 -0.14 -0.04 0.00 -1.26 0.00 0.00 59.98 58.54 2jtr h ARG 52 Cb 0.00 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 2jtr h ARG 52 CO 0.00 0.63 -0.16 1.96 0.56 0.00 0.00 179.97 182.96 2jtr h GLN 53 N 0.45 0.04 -0.03 0.04 7.50 -1.88 -0.48 115.11 120.75 2jtr h GLN 53 Ca 0.12 -0.01 -0.17 0.00 0.50 0.00 0.00 58.65 59.09 2jtr h GLN 53 Cb 0.30 -0.01 0.01 0.00 0.05 0.00 0.00 27.48 27.84 2jtr h GLN 53 CO 0.00 0.20 -0.63 0.77 -1.50 0.00 0.00 178.83 177.67 2jtr h SER 54 N 0.04 0.61 -0.06 1.46 0.02 -1.63 0.12 113.55 114.12 2jtr h SER 54 Ca 0.01 -0.72 -0.00 0.00 -0.84 0.00 0.00 61.79 60.24 2jtr h SER 54 Cb 0.30 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 2jtr h SER 54 CO 0.02 1.25 0.03 1.23 -1.14 0.00 0.00 176.83 178.22 2jtr h GLY 55 N 0.04 0.09 0.83 -3.77 0.00 -0.85 0.75 103.07 100.17 2jtr h GLY 55 Ca -0.07 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.26 2jtr h GLY 55 CO 0.13 0.04 0.61 1.46 0.00 0.00 0.00 176.54 178.77 2jtr h GLN 56 N 0.02 1.12 -0.30 4.80 1.08 -1.13 -0.17 115.11 120.54 2jtr h GLN 56 Ca 0.02 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 2jtr h GLN 56 Cb 0.06 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 2jtr h GLN 56 CO -0.00 0.74 -0.11 0.00 -0.95 0.00 0.00 178.83 178.51 2jtr h ALA 57 N 1.40 0.41 -0.51 3.87 0.00 -0.47 -2.81 119.26 121.15 2jtr h ALA 57 Ca 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jtr h ALA 57 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jtr h ALA 57 CO -0.14 0.27 0.21 -0.22 0.00 0.00 0.00 179.25 179.38 2jtr h LYS 58 N 0.35 0.72 0.22 0.00 3.64 -0.26 -0.02 116.57 121.22 2jtr h LYS 58 Ca 0.07 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jtr h LYS 58 Cb 0.61 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2jtr h LYS 58 CO 0.04 0.58 -0.16 0.93 -2.27 0.00 0.00 179.45 178.57 2jtr h GLU 59 N 0.72 -0.37 -0.47 1.90 5.08 -0.85 0.83 114.58 121.41 2jtr h GLU 59 Ca 0.18 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 2jtr h GLU 59 Cb 0.12 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2jtr h GLU 59 CO -0.02 -0.24 -0.21 -0.84 -1.00 0.00 0.00 179.01 176.69 2jtr h ILE 60 N -0.38 1.27 -0.66 3.13 3.07 -1.30 -3.10 117.51 119.54 2jtr h ILE 60 Ca -0.01 -1.37 -0.08 0.00 1.55 0.00 0.00 64.86 64.95 2jtr h ILE 60 Cb 0.33 1.13 -0.03 0.00 -0.27 0.00 0.00 36.82 37.99 2jtr h ILE 60 CO -0.00 0.47 0.11 -0.07 -1.05 0.00 0.00 178.15 177.61 2jtr h LEU 61 N 0.83 1.04 -0.87 0.16 3.38 -0.75 -0.17 115.31 118.92 2jtr h LEU 61 Ca 0.11 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2jtr h LEU 61 Cb 0.78 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2jtr h LEU 61 CO 0.06 1.03 0.34 0.28 0.09 0.00 0.00 178.44 180.24 2jtr h SER 62 N 1.00 1.07 0.12 -0.43 0.02 -0.84 0.16 113.55 114.64 2jtr h SER 62 Ca 0.20 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 2jtr h SER 62 Cb 0.43 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2jtr h SER 62 CO 0.01 0.93 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.89 2jtr h GLU 63 N 1.14 0.38 0.00 3.45 4.39 -1.36 -2.16 114.58 120.43 2jtr h GLU 63 Ca 0.27 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2jtr h GLU 63 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2jtr h GLU 63 CO -0.03 0.73 0.00 -1.33 -1.16 0.00 0.00 179.01 177.22 2jtr n MET 64 N -4.02 0.63 -0.90 2.33 2.81 -0.12 -4.88 117.12 112.96 2jtr n MET 64 Ca -0.02 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2jtr n MET 64 Cb 0.50 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 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 0.42 0.86 2.20 3.03 0.00 -0.69 -4.92 105.19 106.08 2jtr n GLY 65 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2jtr n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jtr n TYR 66 N -2.21 1.12 0.24 1.61 4.02 0.48 -4.62 117.16 117.80 2jtr n TYR 66 Ca 0.00 -2.15 0.10 0.00 -0.01 0.00 0.00 57.90 55.85 2jtr n TYR 66 Cb 0.00 -1.93 0.58 0.00 -0.02 0.00 0.00 39.34 37.96 2jtr n TYR 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jtr h THR 67 N 2.58 0.65 0.00 -0.72 1.03 -1.81 -3.32 112.91 111.31 2jtr h THR 67 Ca 0.50 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 66.03 2jtr h THR 67 Cb 0.83 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.46 2jtr h THR 67 CO 0.99 0.19 0.00 0.00 -0.01 0.00 0.00 175.52 176.70 2jtr n HIS 68 N -3.59 0.00 -5.20 0.00 1.44 -1.26 -4.79 115.22 101.81 2jtr n HIS 68 Ca -0.01 -0.60 -0.30 0.00 -2.01 0.00 0.00 57.72 54.80 2jtr n HIS 68 Cb 0.34 -0.32 -0.16 0.00 0.12 0.00 0.00 29.99 29.97 2jtr n HIS 68 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2jtr s VAL 69 N 0.17 1.96 0.00 0.61 1.01 -1.25 -2.58 120.40 120.32 2jtr s VAL 69 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.91 2jtr s VAL 69 Cb 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 2jtr s VAL 69 CO 0.00 0.53 -0.04 -0.70 0.00 0.00 0.00 175.10 174.89 2jtr s GLU 70 N -0.64 0.30 -0.37 2.72 2.12 -0.88 -5.01 118.70 116.94 2jtr s GLU 70 Ca 0.10 -0.22 -0.29 0.00 0.36 0.00 0.00 54.97 54.92 2jtr s GLU 70 Cb -0.10 -0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.07 2jtr s GLU 70 CO -0.01 0.06 1.08 1.21 -0.54 0.00 0.00 175.26 177.06 2jtr s ASN 71 N -0.32 6.82 0.33 -1.70 3.04 -1.26 -1.20 114.94 120.65 2jtr s ASN 71 Ca -0.01 0.83 0.12 0.00 0.04 0.00 0.00 52.86 53.84 2jtr s ASN 71 Cb -0.03 -2.54 0.58 0.00 -1.54 0.00 0.00 41.25 37.73 2jtr s ASN 71 CO -0.00 -0.98 1.74 0.00 -3.04 0.00 0.00 177.10 174.82 2jtr h ALA 72 N 8.46 1.23 0.00 1.71 0.00 -1.48 -3.47 119.26 125.70 2jtr h ALA 72 Ca -0.21 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jtr h ALA 72 Cb 1.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jtr h ALA 72 CO 1.05 0.58 0.00 0.41 0.00 0.00 0.00 179.25 181.30 2jtr n GLY 73 N -0.19 0.18 3.24 0.00 0.00 -1.26 -4.87 105.19 102.30 2jtr n GLY 73 Ca -0.02 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 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 1.53 0.19 -0.02 0.00 -1.26 -3.76 107.32 104.01 2jtr s GLY 74 Ca 0.00 -1.75 -0.20 0.00 0.00 0.00 0.00 44.72 42.76 2jtr s GLY 74 CO 0.00 -1.48 1.58 -2.00 0.00 0.00 0.00 173.10 171.21 2jtr h LEU 75 N 2.54 -1.16 -0.31 0.66 7.12 -1.61 -0.68 115.31 121.87 2jtr h LEU 75 Ca -0.37 0.23 -0.20 0.00 0.13 0.00 0.00 57.88 57.68 2jtr h LEU 75 Cb 1.25 0.58 0.00 0.00 -0.53 0.00 0.00 40.66 41.96 2jtr h LEU 75 CO 0.56 -0.30 -0.70 0.50 -0.13 0.00 0.00 178.44 178.38 2jtr h LYS 76 N -0.14 0.65 -0.15 1.25 3.64 -1.98 -3.31 116.57 116.53 2jtr h LYS 76 Ca 0.24 -0.49 -0.19 0.00 -1.27 0.00 0.00 60.65 58.94 2jtr h LYS 76 Cb 0.55 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2jtr h LYS 76 CO -0.70 1.11 -0.68 0.22 -2.27 0.00 0.00 179.45 177.13 2jtr h ASP 77 N 0.46 0.72 -3.04 4.20 3.58 -1.69 -3.44 116.42 117.20 2jtr h ASP 77 Ca -0.03 -0.44 -0.53 0.00 0.42 0.00 0.00 57.03 56.46 2jtr h ASP 77 Cb 1.29 -0.21 0.05 0.00 1.72 0.00 0.00 39.33 42.18 2jtr h ASP 77 CO 0.14 1.20 0.82 -0.63 -2.88 0.00 0.00 179.24 177.88 2jtr s ILE 78 N -3.81 2.69 -1.17 2.25 1.01 -0.36 -4.92 121.20 116.89 2jtr s ILE 78 Ca -0.08 0.52 0.29 0.00 0.00 0.00 0.00 60.65 61.38 2jtr s ILE 78 Cb 0.10 -3.33 0.34 0.00 0.01 0.00 0.00 42.46 39.57 2jtr s ILE 78 CO 0.87 0.06 1.95 0.00 0.00 0.00 0.00 174.94 177.82 2jtr n ALA 79 N 3.36 2.44 -1.60 9.38 0.00 -1.26 -4.90 120.51 127.93 2jtr n ALA 79 Ca 0.11 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 2jtr n ALA 79 Cb 0.39 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.84 2.40 1.03 0.00 -1.94 -1.26 -5.01 119.30 111.68 2jtr s MET 80 Ca 0.19 1.97 -0.12 0.00 -1.71 0.00 0.00 55.69 56.03 2jtr s MET 80 Cb 0.19 -1.84 0.19 0.00 2.01 0.00 0.00 34.83 35.39 2jtr s MET 80 CO 0.51 -1.69 0.99 -2.30 -0.01 0.00 0.00 175.02 172.53 2jtr n PRO 81 N -2.17 -1.27 -4.24 2.03 -0.02 -1.26 -4.99 135.00 123.08 2jtr n PRO 81 Ca 0.15 -0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.18 2jtr n PRO 81 Cb 0.49 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.64 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 -4.42 1.16 0.19 -0.52 3.01 -1.26 -4.24 119.74 113.66 2jtr s LYS 82 Ca 0.66 -1.58 0.10 0.00 -1.01 0.00 0.00 55.97 54.14 2jtr s LYS 82 Cb -0.23 -0.11 -0.04 0.00 -1.01 0.00 0.00 37.83 36.43 2jtr s LYS 82 CO 0.62 -0.22 -0.20 0.14 0.51 0.00 0.00 175.35 176.20 2jtr s VAL 83 N -3.81 2.04 0.04 3.17 -7.23 -0.26 -4.87 120.40 109.48 2jtr s VAL 83 Ca 0.29 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2jtr s VAL 83 Cb 0.07 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 2jtr s VAL 83 CO 0.07 -0.29 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.77 2jtr s LYS 84 N -2.91 0.49 0.00 4.82 2.20 -1.26 -1.30 119.74 121.78 2jtr s LYS 84 Ca 0.19 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 2jtr s LYS 84 Cb -0.06 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 2jtr s LYS 84 CO 0.09 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.45