#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 1.23 0.01 0.00 -1.05 -1.26 -2.76 118.70 114.87 2jtr s GLU 2 Ca 0.00 -0.92 0.01 0.00 -0.15 0.00 0.00 54.97 53.91 2jtr s GLU 2 Cb 0.00 0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 34.14 2jtr s GLU 2 CO 0.00 -0.49 -0.04 -1.01 0.95 0.00 0.00 175.26 174.67 2jtr s HIS 3 N -3.88 0.39 -0.28 4.83 3.76 -0.57 -4.95 115.29 114.60 2jtr s HIS 3 Ca 0.10 -0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 54.70 2jtr s HIS 3 Cb 0.01 -0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.41 2jtr s HIS 3 CO -0.04 -0.03 0.27 -1.58 -0.85 0.00 0.00 174.74 172.50 2jtr s TRP 4 N -0.44 3.23 -0.24 1.40 0.52 -1.26 -0.92 118.94 121.24 2jtr s TRP 4 Ca -0.02 0.23 0.01 0.00 0.02 0.00 0.00 56.10 56.34 2jtr s TRP 4 Cb -0.04 -2.47 0.06 0.00 -1.15 0.00 0.00 33.47 29.88 2jtr s TRP 4 CO -0.00 -0.20 -0.05 0.42 0.02 0.00 0.00 176.95 177.14 2jtr s ILE 5 N 1.89 1.55 0.15 2.03 1.01 -0.10 -1.50 121.20 126.23 2jtr s ILE 5 Ca 0.10 -1.24 -0.30 0.00 0.00 0.00 0.00 60.65 59.21 2jtr s ILE 5 Cb -0.16 -1.82 -0.08 0.00 0.01 0.00 0.00 42.46 40.42 2jtr s ILE 5 CO 0.11 -0.11 1.29 -0.62 0.00 0.00 0.00 174.94 175.61 2jtr s ASP 6 N 1.38 6.95 -0.01 3.58 -1.08 0.10 -2.72 116.67 124.88 2jtr s ASP 6 Ca -0.06 2.28 0.02 0.00 -0.52 0.00 0.00 52.55 54.27 2jtr s ASP 6 Cb -0.19 -2.60 0.04 0.00 -1.46 0.00 0.00 42.92 38.71 2jtr s ASP 6 CO -0.06 -0.52 1.02 1.33 0.52 0.00 0.00 175.17 177.46 2jtr n VAL 7 N 3.20 1.08 -1.01 1.11 0.24 -0.17 -0.96 118.33 121.81 2jtr n VAL 7 Ca 0.08 -1.10 -0.29 0.00 -2.04 0.00 0.00 64.34 60.99 2jtr n VAL 7 Cb 0.44 0.44 0.20 0.00 -1.47 0.00 0.00 33.84 33.45 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 -1.16 -0.14 0.65 7.34 1.70 -1.26 -1.29 118.95 124.79 2jtr s ARG 8 Ca 0.04 0.51 -0.18 0.00 -0.47 0.00 0.00 55.73 55.63 2jtr s ARG 8 Cb 0.03 -1.67 -0.02 0.00 -0.57 0.00 0.00 34.95 32.72 2jtr s ARG 8 CO 0.01 -3.11 1.13 1.33 -1.08 0.00 0.00 175.30 173.58 2jtr n VAL 9 N -4.44 4.26 0.00 4.99 0.24 -1.26 -4.08 118.33 118.05 2jtr n VAL 9 Ca 0.05 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2jtr n VAL 9 Cb 0.57 -1.32 0.31 0.00 -1.47 0.00 0.00 33.84 31.93 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 0.38 0.51 0.00 7.34 0.13 -1.97 -0.52 132.00 137.87 2jtr h PRO 10 Ca -0.50 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 64.48 2jtr h PRO 10 Cb 1.35 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2jtr h PRO 10 CO 0.51 0.54 -0.21 0.93 -0.23 0.00 0.00 178.00 179.54 2jtr h GLU 11 N 0.49 0.00 0.01 0.86 5.08 -2.01 -2.86 114.58 116.16 2jtr h GLU 11 Ca 0.11 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.18 2jtr h GLU 11 Cb 0.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2jtr h GLU 11 CO 0.01 0.21 -1.60 1.96 -1.00 0.00 0.00 179.01 178.59 2jtr h GLN 12 N 0.00 0.02 -0.50 2.33 4.20 -1.46 -3.30 115.11 116.41 2jtr h GLN 12 Ca -0.00 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.75 2jtr h GLN 12 Cb 0.45 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.17 2jtr h GLN 12 CO 0.03 0.63 0.11 -0.92 -0.67 0.00 0.00 178.83 178.01 2jtr h TYR 13 N 0.01 0.17 0.00 2.96 3.20 -1.28 -2.45 116.97 119.57 2jtr h TYR 13 Ca -0.25 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.65 2jtr h TYR 13 Cb 1.98 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.24 2jtr h TYR 13 CO 0.01 0.00 -0.00 1.96 -1.64 0.00 0.00 178.16 178.49 2jtr h GLN 14 N 0.25 0.00 -0.05 1.82 4.20 -1.58 -2.44 115.11 117.31 2jtr h GLN 14 Ca 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 2jtr h GLN 14 Cb 0.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2jtr h GLN 14 CO -0.32 0.00 0.01 1.96 -0.67 0.00 0.00 178.83 179.81 2jtr h GLN 15 N 0.00 0.08 -1.06 1.46 1.08 -1.52 0.25 115.11 115.40 2jtr h GLN 15 Ca -0.00 -0.02 0.20 0.00 -1.45 0.00 0.00 58.65 57.38 2jtr h GLN 15 Cb 0.24 -0.01 -0.33 0.00 -0.05 0.00 0.00 27.48 27.33 2jtr h GLN 15 CO 0.00 0.31 0.82 -2.00 -0.95 0.00 0.00 178.83 177.01 2jtr s GLU 16 N -5.16 0.04 0.11 1.46 2.12 -0.92 -4.15 118.70 112.20 2jtr s GLU 16 Ca -0.14 0.06 -0.10 0.00 0.36 0.00 0.00 54.97 55.15 2jtr s GLU 16 Cb 0.04 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.45 2jtr s GLU 16 CO 0.68 -0.01 0.24 -3.38 -0.54 0.00 0.00 175.26 172.25 2jtr s HIS 17 N 0.59 0.13 0.21 5.30 -3.43 0.07 -4.75 115.29 113.41 2jtr s HIS 17 Ca -0.01 -0.54 -0.31 0.00 -0.80 0.00 0.00 55.06 53.40 2jtr s HIS 17 Cb -0.03 -0.01 -0.11 0.00 -1.43 0.00 0.00 32.58 31.00 2jtr s HIS 17 CO -0.12 -0.59 1.63 0.08 -2.00 0.00 0.00 174.74 173.73 2jtr s VAL 18 N -3.87 2.28 0.37 -5.38 1.01 -1.26 -0.99 120.40 112.56 2jtr s VAL 18 Ca 0.06 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 2jtr s VAL 18 Cb 0.04 -3.13 -0.11 0.00 0.00 0.00 0.00 36.38 33.18 2jtr s VAL 18 CO -0.10 0.02 1.31 1.67 0.00 0.00 0.00 175.10 178.01 2jtr n GLN 19 N 3.59 2.15 -1.03 2.72 7.27 -0.99 -2.94 117.38 128.14 2jtr n GLN 19 Ca 0.13 0.76 -0.01 0.00 0.07 0.00 0.00 57.00 57.95 2jtr n GLN 19 Cb 0.37 -2.39 -0.00 0.00 2.41 0.00 0.00 30.24 30.62 2jtr n GLN 19 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jtr n GLY 20 N 0.73 0.47 4.00 1.69 0.00 -1.26 -5.01 105.19 105.81 2jtr n GLY 20 Ca 0.05 -0.20 -0.20 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 -1.88 4.16 0.43 4.61 0.00 -1.15 -4.77 121.76 123.15 2jtr s ALA 21 Ca 0.00 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.41 2jtr s ALA 21 Cb 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2jtr s ALA 21 CO 0.00 -0.78 0.22 -1.50 0.00 0.00 0.00 175.76 173.70 2jtr s ILE 22 N -2.71 2.27 -0.10 0.00 2.07 -0.56 -4.99 121.20 117.17 2jtr s ILE 22 Ca 0.59 -1.64 0.03 0.00 -1.41 0.00 0.00 60.65 58.21 2jtr s ILE 22 Cb -0.09 -2.91 0.01 0.00 0.13 0.00 0.00 42.46 39.60 2jtr s ILE 22 CO 0.38 0.00 -0.18 0.21 -1.91 0.00 0.00 174.94 173.45 2jtr s ASN 23 N -3.96 2.53 -0.40 4.50 3.04 -1.26 -0.72 114.94 118.67 2jtr s ASN 23 Ca 0.40 -0.45 0.02 0.00 0.04 0.00 0.00 52.86 52.87 2jtr s ASN 23 Cb 0.02 -1.15 0.15 0.00 -1.54 0.00 0.00 41.25 38.73 2jtr s ASN 23 CO 0.23 0.07 0.26 -0.63 -3.04 0.00 0.00 177.10 173.98 2jtr s ILE 24 N 0.72 0.54 0.55 -5.21 1.01 -0.14 -4.95 121.20 113.72 2jtr s ILE 24 Ca -0.12 -2.22 -0.19 0.00 0.00 0.00 0.00 60.65 58.12 2jtr s ILE 24 Cb -0.16 -1.39 -0.09 0.00 0.01 0.00 0.00 42.46 40.84 2jtr s ILE 24 CO 0.02 -1.04 0.60 -2.65 0.00 0.00 0.00 174.94 171.88 2jtr n PRO 25 N 3.54 0.60 -0.35 2.79 -0.02 -1.26 -4.32 135.00 135.99 2jtr n PRO 25 Ca 0.17 0.23 0.25 0.00 -2.02 0.00 0.00 63.50 62.12 2jtr n PRO 25 Cb 0.39 -1.76 0.51 0.00 -0.02 0.00 0.00 33.50 32.62 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 0.37 0.46 -1.94 2.45 5.85 -1.40 0.18 115.31 121.30 2jtr h LEU 26 Ca -0.45 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2jtr h LEU 26 Cb 1.39 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 2jtr h LEU 26 CO 0.48 -0.00 -0.09 0.11 -0.34 0.00 0.00 178.44 178.60 2jtr h LYS 27 N 0.36 0.00 0.00 1.25 1.57 -1.88 -3.17 116.57 114.70 2jtr h LYS 27 Ca 0.67 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 2jtr h LYS 27 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.99 2jtr h LYS 27 CO -0.41 0.09 -1.03 0.39 -0.57 0.00 0.00 179.45 177.92 2jtr n GLU 28 N -4.17 1.57 -0.31 3.15 -0.58 0.47 -4.72 120.64 116.05 2jtr n GLU 28 Ca -0.03 -0.05 0.04 0.00 -0.42 0.00 0.00 57.16 56.70 2jtr n GLU 28 Cb 0.17 -1.07 0.18 0.00 -0.57 0.00 0.00 31.44 30.15 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 0.93 -0.57 2.62 3.04 -1.05 -1.61 116.25 119.61 2jtr h VAL 29 Ca 0.00 -0.30 0.07 0.00 -1.01 0.00 0.00 66.70 65.46 2jtr h VAL 29 Cb 0.29 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.52 2jtr h VAL 29 CO 0.00 0.16 0.38 0.11 -1.01 0.00 0.00 177.57 177.21 2jtr h LYS 30 N 0.87 0.49 -0.00 4.17 1.57 -1.84 0.13 116.57 121.96 2jtr h LYS 30 Ca 0.42 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2jtr h LYS 30 Cb 0.36 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2jtr h LYS 30 CO -0.24 0.32 -0.26 0.39 -0.57 0.00 0.00 179.45 179.10 2jtr n GLU 31 N -4.47 0.47 0.00 3.15 -0.58 -0.61 -4.59 120.64 114.00 2jtr n GLU 31 Ca 0.08 -0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2jtr n GLU 31 Cb 0.27 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2jtr n GLU 31 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jtr n ARG 32 N -1.07 1.66 -0.16 3.49 0.63 -0.78 -4.80 116.66 115.64 2jtr n ARG 32 Ca 0.10 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.10 2jtr n ARG 32 Cb 0.32 -0.28 0.36 0.00 0.45 0.00 0.00 32.46 33.31 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 1.03 0.00 5.15 6.09 -1.02 -0.30 117.51 128.47 2jtr h ILE 33 Ca 0.00 -0.25 -0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2jtr h ILE 33 Cb 0.00 0.24 -0.00 0.00 0.47 0.00 0.00 36.82 37.53 2jtr h ILE 33 CO 0.00 0.13 -0.01 0.00 -3.07 0.00 0.00 178.15 175.20 2jtr h ALA 34 N 1.62 1.57 0.14 0.18 0.00 -1.81 0.15 119.26 121.11 2jtr h ALA 34 Ca 0.29 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.83 2jtr h ALA 34 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jtr h ALA 34 CO -0.09 0.02 -1.89 1.15 0.00 0.00 0.00 179.25 178.43 2jtr h THR 35 N 0.00 0.75 -0.01 0.00 2.02 -1.41 -3.21 112.91 111.05 2jtr h THR 35 Ca -0.00 -2.43 -0.17 0.00 0.77 0.00 0.00 66.41 64.58 2jtr h THR 35 Cb 0.04 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 2jtr h THR 35 CO 0.00 0.87 -0.79 0.00 0.37 0.00 0.00 175.52 175.97 2jtr h ALA 36 N 0.14 0.66 -2.19 6.16 0.00 -0.81 -3.39 119.26 119.83 2jtr h ALA 36 Ca -0.39 -0.69 -0.58 0.00 0.00 0.00 0.00 54.91 53.26 2jtr h ALA 36 Cb 2.05 -0.10 -0.38 0.00 0.00 0.00 0.00 17.79 19.36 2jtr h ALA 36 CO 0.12 0.91 -1.04 0.28 0.00 0.00 0.00 179.25 179.52 2jtr n VAL 37 N -3.67 -0.97 0.33 0.00 0.31 0.48 -5.00 118.33 109.81 2jtr n VAL 37 Ca -0.02 -3.70 0.15 0.00 -0.01 0.00 0.00 64.34 60.76 2jtr n VAL 37 Cb 0.75 -1.80 0.61 0.00 -0.91 0.00 0.00 33.84 32.49 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 4.86 0.00 -5.11 5.55 0.13 -1.75 -3.40 132.00 132.28 2jtr h PRO 38 Ca 0.18 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.65 2jtr h PRO 38 Cb 0.90 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.75 2jtr h PRO 38 CO 0.41 0.00 -0.75 0.34 -0.23 0.00 0.00 178.00 177.78 2jtr s ASP 39 N -5.04 4.12 0.38 1.44 2.15 -1.26 -5.01 116.67 113.45 2jtr s ASP 39 Ca 0.02 -0.38 0.18 0.00 0.43 0.00 0.00 52.55 52.80 2jtr s ASP 39 Cb 0.09 -1.68 0.72 0.00 -0.30 0.00 0.00 42.92 41.76 2jtr s ASP 39 CO 0.47 0.05 1.76 0.11 -0.17 0.00 0.00 175.17 177.39 2jtr h LYS 40 N 7.60 0.00 0.00 4.34 1.57 -1.92 -2.82 116.57 125.34 2jtr h LYS 40 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2jtr h LYS 40 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2jtr h LYS 40 CO 0.60 0.37 0.00 -1.71 -0.57 0.00 0.00 179.45 178.14 2jtr n ASN 41 N -3.62 0.67 -4.77 0.86 5.15 -1.26 -3.80 115.26 108.50 2jtr n ASN 41 Ca -0.01 0.65 -0.37 0.00 -0.60 0.00 0.00 54.58 54.25 2jtr n ASN 41 Cb 0.48 -0.80 -0.00 0.00 -0.53 0.00 0.00 39.78 38.93 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 -4.26 6.08 -0.28 1.20 2.15 -1.07 -4.88 116.67 115.61 2jtr s ASP 42 Ca 0.05 2.35 -0.28 0.00 0.43 0.00 0.00 52.55 55.11 2jtr s ASP 42 Cb 0.10 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 40.12 2jtr s ASP 42 CO 0.42 -0.98 1.00 -0.89 -0.17 0.00 0.00 175.17 174.54 2jtr s THR 43 N -1.52 4.63 -0.37 1.71 2.01 -1.11 -4.63 115.64 116.37 2jtr s THR 43 Ca 0.64 1.71 -0.10 0.00 0.31 0.00 0.00 61.69 64.25 2jtr s THR 43 Cb -0.30 -4.31 0.03 0.00 0.01 0.00 0.00 72.50 67.92 2jtr s THR 43 CO 0.36 -0.32 0.19 -0.69 -0.69 0.00 0.00 174.62 173.47 2jtr s VAL 44 N 3.33 4.51 -0.28 3.82 1.01 -0.48 -1.50 120.40 130.81 2jtr s VAL 44 Ca 0.42 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2jtr s VAL 44 Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2jtr s VAL 44 CO 0.11 -0.20 0.38 -0.54 0.00 0.00 0.00 175.10 174.85 2jtr s LYS 45 N 1.55 3.97 -0.04 2.72 1.02 -0.09 -1.06 119.74 127.81 2jtr s LYS 45 Ca 0.02 0.01 0.03 0.00 0.02 0.00 0.00 55.97 56.05 2jtr s LYS 45 Cb -0.19 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 2jtr s LYS 45 CO 0.06 -0.31 -0.11 0.14 -0.92 0.00 0.00 175.35 174.21 2jtr s VAL 46 N 2.09 3.33 0.26 3.17 -7.23 -0.01 -0.93 120.40 121.09 2jtr s VAL 46 Ca 0.15 -0.70 -0.09 0.00 -1.81 0.00 0.00 61.98 59.54 2jtr s VAL 46 Cb -0.16 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2jtr s VAL 46 CO 0.10 0.54 0.43 -0.72 -0.31 0.00 0.00 175.10 175.14 2jtr s TYR 47 N -0.82 0.63 0.03 2.82 -0.85 -1.10 -1.22 117.35 116.83 2jtr s TYR 47 Ca 0.13 -0.95 -0.02 0.00 -0.52 0.00 0.00 57.07 55.71 2jtr s TYR 47 Cb -0.11 0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.27 2jtr s TYR 47 CO 0.02 -0.98 0.10 0.00 -1.52 0.00 0.00 175.55 173.17 2jtr s ASN 49 N -1.23 5.36 0.00 0.00 3.04 -1.26 -1.21 114.94 119.64 2jtr s ASN 49 Ca 0.02 1.03 0.00 0.00 0.04 0.00 0.00 52.86 53.95 2jtr s ASN 49 Cb -0.00 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.19 2jtr s ASN 49 CO 0.01 -2.18 0.00 0.00 -3.04 0.00 0.00 177.10 171.89 2jtr n ALA 50 N 12.32 0.00 0.00 1.71 0.00 -1.26 -4.12 120.51 129.16 2jtr n ALA 50 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2jtr n ALA 50 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.41 2.23 0.12 0.00 0.00 -1.25 -4.91 105.19 98.97 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 2.71 -0.18 0.00 1.61 2.47 -1.91 0.61 114.38 119.69 2jtr h ARG 52 Ca 0.00 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2jtr h ARG 52 Cb 0.00 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2jtr h ARG 52 CO 0.00 0.17 -0.06 1.96 0.56 0.00 0.00 179.97 182.60 2jtr h GLN 53 N -0.55 0.00 -0.08 0.04 7.50 -1.88 -0.16 115.11 119.98 2jtr h GLN 53 Ca -0.02 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.04 2jtr h GLN 53 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.96 2jtr h GLN 53 CO 0.03 0.06 -0.29 0.77 -1.50 0.00 0.00 178.83 177.89 2jtr h SER 54 N 0.00 0.39 -0.42 1.46 0.02 -1.65 0.13 113.55 113.49 2jtr h SER 54 Ca -0.00 -0.63 -0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2jtr h SER 54 Cb 0.10 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2jtr h SER 54 CO 0.01 0.96 0.26 1.23 -1.14 0.00 0.00 176.83 178.15 2jtr h GLY 55 N -0.14 0.61 0.94 -3.77 0.00 -0.22 0.14 103.07 100.63 2jtr h GLY 55 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2jtr h GLY 55 CO 0.06 0.24 0.17 1.46 0.00 0.00 0.00 176.54 178.47 2jtr h GLN 56 N 0.57 0.52 -0.73 4.80 4.20 -1.09 -2.21 115.11 121.17 2jtr h GLN 56 Ca 0.15 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2jtr h GLN 56 Cb -0.02 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2jtr h GLN 56 CO -0.03 0.48 0.35 0.00 -0.67 0.00 0.00 178.83 178.95 2jtr h ALA 57 N 1.02 1.24 -0.80 3.87 0.00 -0.42 -2.46 119.26 121.70 2jtr h ALA 57 Ca 0.12 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jtr h ALA 57 Cb 0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2jtr h ALA 57 CO -0.01 0.58 0.51 -0.22 0.00 0.00 0.00 179.25 180.11 2jtr h LYS 58 N 1.03 0.96 0.61 0.00 3.64 -0.14 -0.70 116.57 121.98 2jtr h LYS 58 Ca 0.25 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2jtr h LYS 58 Cb 0.11 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2jtr h LYS 58 CO -0.03 0.64 -0.31 0.93 -2.27 0.00 0.00 179.45 178.40 2jtr h GLU 59 N 0.99 -0.82 -0.11 1.90 5.08 -0.97 -1.12 114.58 119.54 2jtr h GLU 59 Ca 0.32 0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.66 2jtr h GLU 59 Cb 0.02 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2jtr h GLU 59 CO -0.12 -0.55 -0.28 -0.84 -1.00 0.00 0.00 179.01 176.22 2jtr h ILE 60 N -0.85 1.25 -0.23 3.13 3.07 -1.34 -1.37 117.51 121.17 2jtr h ILE 60 Ca -0.08 -1.17 -0.16 0.00 1.55 0.00 0.00 64.86 65.00 2jtr h ILE 60 Cb 0.66 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 2jtr h ILE 60 CO 0.12 0.35 -0.48 -0.07 -1.05 0.00 0.00 178.15 177.02 2jtr h LEU 61 N 0.19 0.82 -0.90 0.16 3.38 -1.05 0.72 115.31 118.64 2jtr h LEU 61 Ca 0.03 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.51 2jtr h LEU 61 Cb 0.61 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 2jtr h LEU 61 CO 0.04 1.22 0.56 0.28 0.09 0.00 0.00 178.44 180.63 2jtr h SER 62 N 0.45 0.89 -0.47 -0.43 0.02 -0.84 -0.39 113.55 112.79 2jtr h SER 62 Ca 0.00 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2jtr h SER 62 Cb 1.09 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 2jtr h SER 62 CO 0.11 0.57 -0.12 -0.08 -1.14 0.00 0.00 176.83 176.16 2jtr h GLU 63 N 1.02 0.95 0.00 3.45 4.81 -0.88 -1.11 114.58 122.83 2jtr h GLU 63 Ca 0.39 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2jtr h GLU 63 Cb 0.17 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2jtr h GLU 63 CO -0.17 1.01 0.00 -1.33 -0.73 0.00 0.00 179.01 177.79 2jtr n MET 64 N -4.14 0.01 -0.15 1.92 2.81 0.21 -4.86 117.12 112.91 2jtr n MET 64 Ca 0.01 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 2jtr n MET 64 Cb 0.40 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 -0.31 0.92 3.72 3.03 0.00 -0.42 -5.06 105.19 107.06 2jtr n GLY 65 Ca 0.03 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 3.29 -1.40 1.61 1.51 -0.26 -4.94 117.35 115.16 2jtr s TYR 66 Ca 0.00 1.04 0.13 0.00 -1.01 0.00 0.00 57.07 57.22 2jtr s TYR 66 Cb 0.00 -3.62 0.06 0.00 -0.11 0.00 0.00 41.96 38.28 2jtr s TYR 66 CO 0.00 -2.13 0.82 0.25 -1.11 0.00 0.00 175.55 173.39 2jtr n THR 67 N 3.91 0.00 -2.29 -0.71 -2.24 -1.25 -3.82 114.28 107.88 2jtr n THR 67 Ca 0.11 -0.44 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 2jtr n THR 67 Cb 0.43 1.22 0.07 0.00 -2.10 0.00 0.00 70.33 69.95 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 0.32 0.81 -3.06 4.78 8.25 -1.26 -5.04 115.22 120.01 2jtr n HIS 68 Ca 0.06 -1.46 -0.39 0.00 -0.26 0.00 0.00 57.72 55.67 2jtr n HIS 68 Cb 0.30 -0.23 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.55 4.53 -0.04 1.59 1.01 -1.26 -1.39 120.40 122.29 2jtr s VAL 69 Ca 0.36 1.55 -0.01 0.00 0.00 0.00 0.00 61.98 63.89 2jtr s VAL 69 Cb 0.37 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2jtr s VAL 69 CO -0.08 0.51 0.07 -0.70 0.00 0.00 0.00 175.10 174.90 2jtr s GLU 70 N -0.96 -0.00 -0.46 2.72 2.12 -0.22 -4.95 118.70 116.95 2jtr s GLU 70 Ca 0.34 0.26 -0.29 0.00 0.36 0.00 0.00 54.97 55.65 2jtr s GLU 70 Cb -0.22 -0.25 0.02 0.00 0.26 0.00 0.00 34.13 33.95 2jtr s GLU 70 CO 0.24 -0.18 1.31 1.21 -0.54 0.00 0.00 175.26 177.29 2jtr s ASN 71 N 1.21 6.42 0.46 -1.70 3.04 -1.26 -0.83 114.94 122.28 2jtr s ASN 71 Ca -0.08 0.62 0.20 0.00 0.04 0.00 0.00 52.86 53.63 2jtr s ASN 71 Cb -0.13 -2.54 1.14 0.00 -1.54 0.00 0.00 41.25 38.18 2jtr s ASN 71 CO -0.04 -1.40 1.99 0.00 -3.04 0.00 0.00 177.10 174.61 2jtr h ALA 72 N 10.19 1.46 0.00 1.71 0.00 -1.51 -3.47 119.26 127.64 2jtr h ALA 72 Ca -0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jtr h ALA 72 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jtr h ALA 72 CO 1.11 0.24 0.00 0.41 0.00 0.00 0.00 179.25 181.01 2jtr n GLY 73 N -0.77 0.28 3.60 0.00 0.00 -1.26 -4.86 105.19 102.19 2jtr n GLY 73 Ca -0.02 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 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 1.91 0.23 -0.02 0.00 -1.26 -4.03 107.32 104.15 2jtr s GLY 74 Ca 0.00 -1.86 -0.10 0.00 0.00 0.00 0.00 44.72 42.76 2jtr s GLY 74 CO 0.00 -1.87 1.35 -0.10 0.00 0.00 0.00 173.10 172.48 2jtr n LEU 75 N -0.86 -0.40 -0.14 0.66 -0.00 -0.35 -1.18 117.00 114.73 2jtr n LEU 75 Ca -0.05 1.50 -0.12 0.00 -0.00 0.00 0.00 56.01 57.34 2jtr n LEU 75 Cb 0.61 -0.41 -0.01 0.00 -0.00 0.00 0.00 43.42 43.60 2jtr n LEU 75 CO 0.41 -1.40 0.64 0.11 -0.00 0.00 0.00 177.39 177.15 2jtr h LYS 76 N 0.00 0.92 0.08 1.96 1.57 -1.97 -3.26 116.57 115.88 2jtr h LYS 76 Ca 0.37 -0.42 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 2jtr h LYS 76 Cb 0.59 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2jtr h LYS 76 CO -0.88 1.07 -1.25 0.22 -0.57 0.00 0.00 179.45 178.04 2jtr h ASP 77 N 0.75 0.27 -2.56 0.86 3.58 -1.56 -3.44 116.42 114.33 2jtr h ASP 77 Ca 0.09 -0.31 -0.53 0.00 0.42 0.00 0.00 57.03 56.70 2jtr h ASP 77 Cb 0.81 -0.09 0.03 0.00 1.72 0.00 0.00 39.33 41.80 2jtr h ASP 77 CO 0.07 1.25 1.10 -0.63 -2.88 0.00 0.00 179.24 178.14 2jtr s ILE 78 N -2.66 2.88 -1.12 2.25 1.01 -0.62 -4.87 121.20 118.06 2jtr s ILE 78 Ca -0.04 0.24 0.27 0.00 0.00 0.00 0.00 60.65 61.13 2jtr s ILE 78 Cb 0.08 -3.16 0.29 0.00 0.01 0.00 0.00 42.46 39.68 2jtr s ILE 78 CO 0.86 -0.01 1.87 0.00 0.00 0.00 0.00 174.94 177.66 2jtr n ALA 79 N 6.12 2.25 -1.57 9.38 0.00 -1.26 -4.87 120.51 130.57 2jtr n ALA 79 Ca 0.17 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 2jtr n ALA 79 Cb 0.40 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.88 2.73 0.96 0.00 -1.94 -1.26 -5.02 119.30 111.88 2jtr s MET 80 Ca 0.16 1.64 -0.11 0.00 -1.71 0.00 0.00 55.69 55.68 2jtr s MET 80 Cb 0.18 -1.92 0.17 0.00 2.01 0.00 0.00 34.83 35.26 2jtr s MET 80 CO 0.46 -1.35 1.12 -1.25 -0.01 0.00 0.00 175.02 173.99 2jtr s PRO 81 N -3.73 0.71 0.13 2.03 0.04 -1.26 -4.94 135.00 127.98 2jtr s PRO 81 Ca 0.73 1.35 0.05 0.00 0.04 0.00 0.00 61.00 63.17 2jtr s PRO 81 Cb -0.26 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2jtr s PRO 81 CO 0.38 -2.78 -0.12 0.15 0.04 0.00 0.00 177.00 174.67 2jtr s LYS 82 N -4.64 1.02 0.14 4.56 3.01 -1.26 -2.35 119.74 120.21 2jtr s LYS 82 Ca 0.67 -1.30 0.02 0.00 -1.01 0.00 0.00 55.97 54.35 2jtr s LYS 82 Cb -0.23 -0.78 -0.04 0.00 -1.01 0.00 0.00 37.83 35.77 2jtr s LYS 82 CO 0.59 0.13 -0.03 0.14 0.51 0.00 0.00 175.35 176.70 2jtr s VAL 83 N -2.53 0.66 0.28 3.17 -7.23 -0.16 -4.79 120.40 109.80 2jtr s VAL 83 Ca 0.11 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 2jtr s VAL 83 Cb -0.02 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2jtr s VAL 83 CO 0.02 -0.65 0.47 -0.54 -0.31 0.00 0.00 175.10 174.09 2jtr s LYS 84 N -3.88 3.50 0.00 4.82 -0.14 -1.26 -0.75 119.74 122.03 2jtr s LYS 84 Ca 0.19 -0.39 0.19 0.00 -1.36 0.00 0.00 55.97 54.60 2jtr s LYS 84 Cb 0.06 -2.76 1.14 0.00 -1.68 0.00 0.00 37.83 34.59 2jtr s LYS 84 CO -0.00 0.28 1.53 0.41 -0.76 0.00 0.00 175.35 176.81