#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 0.63 -0.05 0.00 2.12 -1.26 -3.01 118.70 117.13 2jtr s GLU 2 Ca 0.00 -0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.27 2jtr s GLU 2 Cb 0.00 0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.70 2jtr s GLU 2 CO 0.00 -0.16 -0.05 -1.01 -0.54 0.00 0.00 175.26 173.50 2jtr s HIS 3 N -1.06 0.82 -0.21 5.30 3.76 -1.06 -5.00 115.29 117.85 2jtr s HIS 3 Ca -0.11 -0.25 -0.21 0.00 -0.15 0.00 0.00 55.06 54.34 2jtr s HIS 3 Cb -0.05 -0.73 -0.02 0.00 1.11 0.00 0.00 32.58 32.89 2jtr s HIS 3 CO 0.04 -0.22 0.65 -1.58 -0.85 0.00 0.00 174.74 172.78 2jtr s TRP 4 N 1.04 3.36 -0.17 1.40 0.52 -1.26 -0.93 118.94 122.90 2jtr s TRP 4 Ca -0.09 0.94 -0.00 0.00 0.02 0.00 0.00 56.10 56.96 2jtr s TRP 4 Cb -0.14 -2.83 0.04 0.00 -1.15 0.00 0.00 33.47 29.39 2jtr s TRP 4 CO -0.01 -0.22 -0.06 0.42 0.02 0.00 0.00 176.95 177.11 2jtr s ILE 5 N 2.09 1.17 0.09 2.03 1.01 -0.63 -2.01 121.20 124.95 2jtr s ILE 5 Ca 0.29 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 59.96 2jtr s ILE 5 Cb -0.16 -1.33 -0.07 0.00 0.01 0.00 0.00 42.46 40.91 2jtr s ILE 5 CO 0.10 0.13 1.39 -0.62 0.00 0.00 0.00 174.94 175.94 2jtr s ASP 6 N 1.61 6.84 0.00 3.58 -1.08 0.16 -2.35 116.67 125.43 2jtr s ASP 6 Ca 0.01 2.28 0.02 0.00 -0.52 0.00 0.00 52.55 54.33 2jtr s ASP 6 Cb -0.15 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.76 2jtr s ASP 6 CO -0.08 -0.66 0.92 1.33 0.52 0.00 0.00 175.17 177.20 2jtr n VAL 7 N 4.09 0.76 -0.96 1.11 0.24 0.10 -1.13 118.33 122.55 2jtr n VAL 7 Ca 0.12 -0.88 -0.30 0.00 -2.04 0.00 0.00 64.34 61.24 2jtr n VAL 7 Cb 0.43 0.63 0.15 0.00 -1.47 0.00 0.00 33.84 33.58 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 -0.79 1.11 0.52 7.34 1.70 -1.25 -1.29 118.95 126.29 2jtr s ARG 8 Ca 0.03 1.14 -0.21 0.00 -0.47 0.00 0.00 55.73 56.22 2jtr s ARG 8 Cb 0.02 -1.77 -0.07 0.00 -0.57 0.00 0.00 34.95 32.56 2jtr s ARG 8 CO 0.02 -2.43 1.04 1.33 -1.08 0.00 0.00 175.30 174.18 2jtr n VAL 9 N -4.06 3.16 -0.28 4.99 0.24 -1.26 -4.13 118.33 116.99 2jtr n VAL 9 Ca 0.08 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 61.87 2jtr n VAL 9 Cb 0.54 -1.24 0.18 0.00 -1.47 0.00 0.00 33.84 31.85 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 1.07 1.13 0.00 7.34 0.13 -1.97 -0.31 132.00 139.38 2jtr h PRO 10 Ca -0.47 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.52 2jtr h PRO 10 Cb 1.34 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2jtr h PRO 10 CO 0.54 0.77 -0.24 0.93 -0.23 0.00 0.00 178.00 179.77 2jtr h GLU 11 N 1.16 0.00 0.07 0.86 3.07 -2.01 -2.48 114.58 115.24 2jtr h GLU 11 Ca 0.31 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.90 2jtr h GLU 11 Cb -0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 2jtr h GLU 11 CO -0.06 0.24 -1.32 1.96 -1.40 0.00 0.00 179.01 178.43 2jtr h GLN 12 N 0.00 0.14 -0.48 2.33 1.08 -1.45 -3.32 115.11 113.42 2jtr h GLN 12 Ca -0.00 -0.25 0.05 0.00 -1.45 0.00 0.00 58.65 57.00 2jtr h GLN 12 Cb 0.49 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.96 2jtr h GLN 12 CO 0.03 1.02 0.20 -0.92 -0.95 0.00 0.00 178.83 178.22 2jtr h TYR 13 N 0.04 0.36 0.00 2.96 3.20 -0.80 -2.69 116.97 120.05 2jtr h TYR 13 Ca -0.15 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 2jtr h TYR 13 Cb 1.93 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 40.11 2jtr h TYR 13 CO 0.04 0.15 -0.02 1.96 -1.64 0.00 0.00 178.16 178.65 2jtr h GLN 14 N 0.40 0.00 -0.35 1.82 1.08 -1.59 -3.15 115.11 113.32 2jtr h GLN 14 Ca 0.22 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.36 2jtr h GLN 14 Cb 0.19 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 2jtr h GLN 14 CO -0.20 0.02 0.00 1.96 -0.95 0.00 0.00 178.83 179.66 2jtr h GLN 15 N 0.00 0.62 -1.18 1.46 1.08 -1.63 -1.18 115.11 114.28 2jtr h GLN 15 Ca -0.00 -0.20 0.17 0.00 -1.45 0.00 0.00 58.65 57.17 2jtr h GLN 15 Cb 0.08 -0.06 -0.32 0.00 -0.05 0.00 0.00 27.48 27.14 2jtr h GLN 15 CO 0.00 0.74 0.76 -1.83 -0.95 0.00 0.00 178.83 177.55 2jtr s GLU 16 N -5.00 0.15 0.16 1.46 -1.05 -1.19 -4.67 118.70 108.55 2jtr s GLU 16 Ca -0.13 0.19 -0.11 0.00 -0.15 0.00 0.00 54.97 54.77 2jtr s GLU 16 Cb 0.09 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 2jtr s GLU 16 CO 0.78 -0.02 0.32 -3.38 0.95 0.00 0.00 175.26 173.91 2jtr s HIS 17 N 0.29 0.23 0.29 4.83 -3.43 -0.03 -4.87 115.29 112.60 2jtr s HIS 17 Ca 0.03 -0.60 -0.30 0.00 -0.80 0.00 0.00 55.06 53.40 2jtr s HIS 17 Cb -0.04 0.04 -0.11 0.00 -1.43 0.00 0.00 32.58 31.03 2jtr s HIS 17 CO -0.13 -0.73 1.61 0.08 -2.00 0.00 0.00 174.74 173.58 2jtr s VAL 18 N -3.92 2.02 0.17 -5.38 1.01 -1.26 -0.68 120.40 112.35 2jtr s VAL 18 Ca 0.13 0.01 -0.34 0.00 0.00 0.00 0.00 61.98 61.79 2jtr s VAL 18 Cb 0.03 -3.01 -0.14 0.00 0.00 0.00 0.00 36.38 33.26 2jtr s VAL 18 CO -0.03 0.00 1.55 1.67 0.00 0.00 0.00 175.10 178.29 2jtr n GLN 19 N 2.26 2.12 -0.91 2.72 0.00 -0.47 -2.53 117.38 120.57 2jtr n GLN 19 Ca 0.09 0.76 0.00 0.00 -0.00 0.00 0.00 57.00 57.85 2jtr n GLN 19 Cb 0.37 -2.51 0.00 0.00 0.00 0.00 0.00 30.24 28.10 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 3.22 0.96 3.29 1.69 0.00 -1.26 -5.01 105.19 108.07 2jtr n GLY 20 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2jtr n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtr n ALA 21 N 0.73 -2.18 -2.53 4.61 0.00 -1.05 -4.90 120.51 115.19 2jtr n ALA 21 Ca 0.00 -1.50 -0.25 0.00 0.00 0.00 0.00 53.44 51.69 2jtr n ALA 21 Cb 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.26 2jtr n ALA 21 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2jtr s ILE 22 N -3.20 1.26 -0.09 0.00 2.07 -0.85 -5.02 121.20 115.36 2jtr s ILE 22 Ca 0.65 -2.00 0.01 0.00 -1.41 0.00 0.00 60.65 57.90 2jtr s ILE 22 Cb -0.04 -2.70 0.02 0.00 0.13 0.00 0.00 42.46 39.88 2jtr s ILE 22 CO 0.48 0.00 -0.09 0.21 -1.91 0.00 0.00 174.94 173.63 2jtr s ASN 23 N -3.59 1.93 -0.42 4.50 3.04 -1.26 -0.66 114.94 118.47 2jtr s ASN 23 Ca 0.31 -0.28 0.02 0.00 0.04 0.00 0.00 52.86 52.95 2jtr s ASN 23 Cb 0.07 -0.79 0.15 0.00 -1.54 0.00 0.00 41.25 39.13 2jtr s ASN 23 CO 0.15 -0.06 0.26 -0.63 -3.04 0.00 0.00 177.10 173.77 2jtr s ILE 24 N 1.29 0.83 0.73 -5.21 1.01 -0.28 -4.95 121.20 114.62 2jtr s ILE 24 Ca -0.03 -2.37 -0.16 0.00 0.00 0.00 0.00 60.65 58.09 2jtr s ILE 24 Cb -0.14 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 2jtr s ILE 24 CO -0.03 -1.00 0.41 -2.65 0.00 0.00 0.00 174.94 171.67 2jtr n PRO 25 N 3.50 0.24 -0.34 2.79 -0.02 -1.25 -4.21 135.00 135.71 2jtr n PRO 25 Ca 0.14 0.12 0.20 0.00 -2.02 0.00 0.00 63.50 61.94 2jtr n PRO 25 Cb 0.38 -1.73 0.43 0.00 -0.02 0.00 0.00 33.50 32.57 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 -0.41 0.59 -2.14 2.45 5.85 -1.43 0.30 115.31 120.53 2jtr h LEU 26 Ca -0.45 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2jtr h LEU 26 Cb 1.35 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 2jtr h LEU 26 CO 0.41 0.07 -0.04 0.11 -0.34 0.00 0.00 178.44 178.65 2jtr h LYS 27 N 0.49 0.00 0.00 1.25 1.79 -1.89 -3.12 116.57 115.09 2jtr h LYS 27 Ca 0.65 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.12 2jtr h LYS 27 Cb 1.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 2jtr h LYS 27 CO -0.44 0.04 -0.82 0.39 -1.08 0.00 0.00 179.45 177.53 2jtr n GLU 28 N -3.26 2.54 -0.13 3.15 1.02 0.94 -4.71 120.64 120.20 2jtr n GLU 28 Ca -0.01 -0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 57.03 2jtr n GLU 28 Cb 0.20 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 2jtr n GLU 28 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2jtr h VAL 29 N 0.00 0.31 0.00 2.62 2.07 -1.14 -0.91 116.25 119.21 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 0.31 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2jtr h VAL 29 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 2jtr n LYS 30 N -5.41 0.02 -0.00 1.57 5.02 -1.26 -1.09 118.16 117.01 2jtr n LYS 30 Ca 0.02 0.41 0.03 0.00 -2.02 0.00 0.00 58.31 56.75 2jtr n LYS 30 Cb 0.32 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 2jtr n LYS 30 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jtr n GLU 31 N -1.59 4.87 0.00 1.97 1.02 -0.41 -4.84 120.64 121.65 2jtr n GLU 31 Ca 0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2jtr n GLU 31 Cb 0.08 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 2jtr n GLU 31 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2jtr n ARG 32 N -1.16 2.78 -0.15 3.49 0.63 -0.82 -4.89 116.66 116.54 2jtr n ARG 32 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2jtr n ARG 32 Cb 0.09 -0.23 0.27 0.00 0.45 0.00 0.00 32.46 33.04 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 1.18 0.00 5.15 6.09 -1.31 -1.41 117.51 127.22 2jtr h ILE 33 Ca 0.00 -0.44 -0.01 0.00 -1.37 0.00 0.00 64.86 63.04 2jtr h ILE 33 Cb 0.00 0.32 -0.00 0.00 0.47 0.00 0.00 36.82 37.61 2jtr h ILE 33 CO 0.00 0.20 -0.04 0.00 -3.07 0.00 0.00 178.15 175.24 2jtr h ALA 34 N 1.53 1.93 -0.45 0.18 0.00 -1.82 0.11 119.26 120.74 2jtr h ALA 34 Ca 0.22 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2jtr h ALA 34 Cb -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jtr h ALA 34 CO -0.04 0.05 -0.26 1.15 0.00 0.00 0.00 179.25 180.15 2jtr h THR 35 N 0.00 1.27 0.01 0.00 2.02 -1.61 -2.98 112.91 111.63 2jtr h THR 35 Ca -0.00 -1.42 -0.25 0.00 0.77 0.00 0.00 66.41 65.51 2jtr h THR 35 Cb 0.07 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2jtr h THR 35 CO 0.01 0.49 -1.30 0.00 0.37 0.00 0.00 175.52 175.08 2jtr h ALA 36 N 0.88 0.50 -2.56 6.16 0.00 -1.32 -3.42 119.26 119.50 2jtr h ALA 36 Ca 0.10 -1.13 -0.60 0.00 0.00 0.00 0.00 54.91 53.28 2jtr h ALA 36 Cb 0.83 0.11 -0.39 0.00 0.00 0.00 0.00 17.79 18.35 2jtr h ALA 36 CO 0.07 1.36 -0.87 0.08 0.00 0.00 0.00 179.25 179.89 2jtr s VAL 37 N -2.66 0.90 -1.93 0.00 1.01 0.31 -5.01 120.40 113.03 2jtr s VAL 37 Ca -0.02 -2.92 0.26 0.00 0.00 0.00 0.00 61.98 59.30 2jtr s VAL 37 Cb 0.09 -1.62 0.71 0.00 0.00 0.00 0.00 36.38 35.56 2jtr s VAL 37 CO 0.82 -1.16 1.92 -0.81 0.00 0.00 0.00 175.10 175.88 2jtr n PRO 38 N 2.77 0.77 -3.82 2.72 -0.04 -1.13 -4.31 135.00 131.96 2jtr n PRO 38 Ca 0.26 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.59 2jtr n PRO 38 Cb 0.44 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.07 -0.08 0.55 3.54 -1.08 -1.26 -5.06 116.67 111.21 2jtr s ASP 39 Ca 0.38 0.18 0.26 0.00 -0.52 0.00 0.00 52.55 52.85 2jtr s ASP 39 Cb 0.18 0.15 1.58 0.00 -1.46 0.00 0.00 42.92 43.37 2jtr s ASP 39 CO 0.32 -0.06 2.16 0.11 0.52 0.00 0.00 175.17 178.22 2jtr h LYS 40 N 6.38 0.00 0.00 4.34 1.57 -1.90 -2.44 116.57 124.52 2jtr h LYS 40 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 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 0.45 0.06 -0.26 0.27 -0.57 0.00 0.00 179.45 179.40 2jtr n ASN 41 N -3.87 0.64 -4.78 0.86 0.23 -1.26 -2.62 115.26 104.46 2jtr n ASN 41 Ca -0.03 0.34 -0.37 0.00 -0.53 0.00 0.00 54.58 54.00 2jtr n ASN 41 Cb 0.15 -0.34 -0.03 0.00 -2.08 0.00 0.00 39.78 37.48 2jtr n ASN 41 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2jtr s ASP 42 N -4.10 6.63 0.37 0.53 2.15 -0.92 -4.75 116.67 116.58 2jtr s ASP 42 Ca 0.10 2.11 -0.24 0.00 0.43 0.00 0.00 52.55 54.95 2jtr s ASP 42 Cb 0.14 -2.59 -0.10 0.00 -0.30 0.00 0.00 42.92 40.07 2jtr s ASP 42 CO 0.64 -0.58 0.96 -0.89 -0.17 0.00 0.00 175.17 175.12 2jtr s THR 43 N -1.61 4.21 -0.00 1.71 2.01 -1.16 -4.56 115.64 116.23 2jtr s THR 43 Ca 0.59 1.65 0.01 0.00 0.31 0.00 0.00 61.69 64.24 2jtr s THR 43 Cb -0.24 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.44 2jtr s THR 43 CO 0.30 -0.03 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.49 2jtr s VAL 44 N -1.81 0.18 -0.42 3.82 1.01 -0.32 -2.55 120.40 120.31 2jtr s VAL 44 Ca 0.55 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.49 2jtr s VAL 44 Cb -0.16 -0.16 0.11 0.00 0.00 0.00 0.00 36.38 36.17 2jtr s VAL 44 CO 0.20 0.06 0.14 -0.54 0.00 0.00 0.00 175.10 174.97 2jtr s LYS 45 N 0.04 1.66 0.22 2.72 -0.14 -0.10 -1.45 119.74 122.69 2jtr s LYS 45 Ca -0.00 -2.17 -0.22 0.00 -1.36 0.00 0.00 55.97 52.21 2jtr s LYS 45 Cb -0.02 -3.20 -0.08 0.00 -1.68 0.00 0.00 37.83 32.85 2jtr s LYS 45 CO -0.00 -1.02 0.78 0.14 -0.76 0.00 0.00 175.35 174.49 2jtr s VAL 46 N 0.41 4.44 0.10 3.17 -7.23 -0.43 -1.60 120.40 119.27 2jtr s VAL 46 Ca 0.14 1.51 -0.10 0.00 -1.81 0.00 0.00 61.98 61.72 2jtr s VAL 46 Cb -0.22 -3.97 0.00 0.00 0.56 0.00 0.00 36.38 32.75 2jtr s VAL 46 CO -0.05 0.29 0.22 -0.72 -0.31 0.00 0.00 175.10 174.54 2jtr s TYR 47 N -1.43 0.13 0.00 2.82 1.13 -0.99 -1.28 117.35 117.73 2jtr s TYR 47 Ca 0.42 -0.54 0.00 0.00 -1.41 0.00 0.00 57.07 55.54 2jtr s TYR 47 Cb -0.19 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.65 2jtr s TYR 47 CO 0.23 -0.58 0.00 0.00 -2.51 0.00 0.00 175.55 172.69 2jtr s ASN 49 N 0.09 7.20 -1.30 0.00 3.84 -1.26 -1.20 114.94 122.30 2jtr s ASN 49 Ca 0.00 1.43 0.00 0.00 0.21 0.00 0.00 52.86 54.50 2jtr s ASN 49 Cb 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 2jtr s ASN 49 CO 0.00 0.07 0.00 0.00 -2.79 0.00 0.00 177.10 174.38 2jtr n ALA 50 N 2.56 -0.19 0.00 1.71 0.00 -1.26 -3.98 120.51 119.36 2jtr n ALA 50 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2jtr n ALA 50 Cb 0.50 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.01 1.90 0.18 0.00 0.00 -1.26 -4.81 105.19 101.21 2jtr n GLY 51 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 0.26 -0.14 0.00 1.61 3.08 -1.95 -0.34 114.38 116.90 2jtr h ARG 52 Ca 0.00 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2jtr h ARG 52 Cb 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 2jtr h ARG 52 CO 0.00 -0.10 -0.12 1.96 -1.07 0.00 0.00 179.97 180.64 2jtr h GLN 53 N -0.15 0.00 -0.06 0.04 7.50 -1.88 0.41 115.11 120.97 2jtr h GLN 53 Ca 0.10 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.10 2jtr h GLN 53 Cb 0.30 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.84 2jtr h GLN 53 CO -0.25 0.12 -0.55 0.77 -1.50 0.00 0.00 178.83 177.42 2jtr h SER 54 N 0.00 0.58 -0.33 1.46 0.02 -1.52 0.37 113.55 114.13 2jtr h SER 54 Ca -0.00 -0.69 -0.01 0.00 -0.84 0.00 0.00 61.79 60.24 2jtr h SER 54 Cb 0.22 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2jtr h SER 54 CO 0.02 1.18 0.15 1.23 -1.14 0.00 0.00 176.83 178.27 2jtr h GLY 55 N 0.02 0.51 0.76 -3.77 0.00 -0.64 0.86 103.07 100.81 2jtr h GLY 55 Ca -0.05 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.06 2jtr h GLY 55 CO 0.11 0.25 0.31 1.46 0.00 0.00 0.00 176.54 178.67 2jtr h GLN 56 N 0.40 0.58 -0.36 4.80 4.20 -0.97 -0.61 115.11 123.14 2jtr h GLN 56 Ca 0.11 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2jtr h GLN 56 Cb 0.13 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2jtr h GLN 56 CO -0.01 0.38 0.03 0.00 -0.67 0.00 0.00 178.83 178.56 2jtr h ALA 57 N 1.28 0.49 -0.98 3.87 0.00 -0.64 -2.47 119.26 120.81 2jtr h ALA 57 Ca 0.24 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jtr h ALA 57 Cb 0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2jtr h ALA 57 CO -0.14 0.22 0.64 -0.22 0.00 0.00 0.00 179.25 179.74 2jtr h LYS 58 N 0.45 1.22 0.37 0.00 3.64 -0.41 -0.52 116.57 121.33 2jtr h LYS 58 Ca 0.11 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2jtr h LYS 58 Cb 0.40 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2jtr h LYS 58 CO 0.01 0.81 -0.18 0.93 -2.27 0.00 0.00 179.45 178.75 2jtr h GLU 59 N 1.26 -0.48 -0.18 1.90 5.08 -0.96 -0.63 114.58 120.58 2jtr h GLU 59 Ca 0.38 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.70 2jtr h GLU 59 Cb -0.04 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jtr h GLU 59 CO -0.11 -0.24 -0.21 -0.84 -1.00 0.00 0.00 179.01 176.61 2jtr h ILE 60 N -0.63 1.23 -0.15 3.13 3.07 -1.21 -1.63 117.51 121.32 2jtr h ILE 60 Ca -0.05 -1.07 -0.15 0.00 1.55 0.00 0.00 64.86 65.14 2jtr h ILE 60 Cb 0.46 1.33 -0.01 0.00 -0.27 0.00 0.00 36.82 38.33 2jtr h ILE 60 CO 0.08 0.33 -0.54 -0.07 -1.05 0.00 0.00 178.15 176.90 2jtr h LEU 61 N 0.29 0.47 -0.86 0.16 3.38 -1.02 0.91 115.31 118.64 2jtr h LEU 61 Ca 0.05 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2jtr h LEU 61 Cb 0.54 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2jtr h LEU 61 CO 0.04 0.93 0.21 0.28 0.09 0.00 0.00 178.44 179.99 2jtr h SER 62 N 0.33 0.98 -0.45 -0.43 0.02 -0.67 -0.01 113.55 113.32 2jtr h SER 62 Ca 0.01 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.66 2jtr h SER 62 Cb 1.06 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2jtr h SER 62 CO 0.10 0.92 -0.18 -0.08 -1.14 0.00 0.00 176.83 176.44 2jtr h GLU 63 N 1.02 0.92 -0.01 3.45 4.81 -0.86 -2.78 114.58 121.13 2jtr h GLU 63 Ca 0.22 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 2jtr h GLU 63 Cb 0.29 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2jtr h GLU 63 CO -0.01 1.04 -0.20 0.52 -0.73 0.00 0.00 179.01 179.63 2jtr h MET 64 N 0.76 0.02 0.00 1.92 2.86 -0.61 -3.47 114.93 116.41 2jtr h MET 64 Ca 0.11 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2jtr h MET 64 Cb 0.74 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2jtr h MET 64 CO 0.06 0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.66 2jtr n GLY 65 N -0.94 0.39 3.75 8.32 0.00 -0.17 -5.08 105.19 111.46 2jtr n GLY 65 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.37 2.40 0.00 1.61 1.51 -0.30 -4.89 117.35 116.30 2jtr s TYR 66 Ca 0.00 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.59 2jtr s TYR 66 Cb 0.00 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.42 2jtr s TYR 66 CO 0.00 -2.15 0.46 0.25 -1.11 0.00 0.00 175.55 173.01 2jtr n THR 67 N -1.78 0.21 -2.34 -0.71 -2.24 -1.08 -4.16 114.28 102.19 2jtr n THR 67 Ca 0.13 -0.32 0.04 0.00 -2.27 0.00 0.00 64.05 61.63 2jtr n THR 67 Cb 0.50 1.18 0.06 0.00 -2.10 0.00 0.00 70.33 69.97 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 -0.11 0.05 -3.18 4.78 8.25 -1.26 -5.04 115.22 118.71 2jtr n HIS 68 Ca 0.00 -0.73 -0.39 0.00 -0.26 0.00 0.00 57.72 56.34 2jtr n HIS 68 Cb 0.27 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.71 4.81 0.02 1.59 1.01 -1.26 -1.17 120.40 124.68 2jtr s VAL 69 Ca 0.35 1.32 -0.02 0.00 0.00 0.00 0.00 61.98 63.63 2jtr s VAL 69 Cb 0.38 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2jtr s VAL 69 CO -0.15 0.45 0.01 -0.70 0.00 0.00 0.00 175.10 174.72 2jtr s GLU 70 N -0.46 0.36 -0.31 2.72 2.56 -0.53 -4.95 118.70 118.09 2jtr s GLU 70 Ca 0.32 -0.56 -0.24 0.00 0.00 0.00 0.00 54.97 54.49 2jtr s GLU 70 Cb -0.19 0.13 0.00 0.00 2.00 0.00 0.00 34.13 36.08 2jtr s GLU 70 CO 0.19 -0.07 0.84 1.21 -0.56 0.00 0.00 175.26 176.87 2jtr s ASN 71 N -1.44 6.72 0.37 -1.70 3.04 -1.26 -1.31 114.94 119.35 2jtr s ASN 71 Ca -0.16 0.75 0.08 0.00 0.04 0.00 0.00 52.86 53.57 2jtr s ASN 71 Cb -0.09 -2.43 0.72 0.00 -1.54 0.00 0.00 41.25 37.90 2jtr s ASN 71 CO -0.00 -0.66 1.89 0.00 -3.04 0.00 0.00 177.10 175.28 2jtr h ALA 72 N 8.09 1.44 0.00 1.71 0.00 -1.50 -3.48 119.26 125.53 2jtr h ALA 72 Ca -0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jtr h ALA 72 Cb 1.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jtr h ALA 72 CO 0.91 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.96 2jtr n GLY 73 N -0.80 0.26 3.91 0.00 0.00 -1.26 -4.86 105.19 102.44 2jtr n GLY 73 Ca -0.00 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 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 1.87 0.24 -0.02 0.00 -1.26 -3.84 107.32 104.32 2jtr s GLY 74 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 44.72 44.07 2jtr s GLY 74 CO 0.00 -0.51 1.73 -2.00 0.00 0.00 0.00 173.10 172.33 2jtr h LEU 75 N 1.82 0.28 -0.73 0.66 7.12 -1.53 -0.80 115.31 122.12 2jtr h LEU 75 Ca -0.48 0.10 -0.11 0.00 0.13 0.00 0.00 57.88 57.53 2jtr h LEU 75 Cb 1.19 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.38 2jtr h LEU 75 CO 0.67 0.11 -0.20 0.50 -0.13 0.00 0.00 178.44 179.39 2jtr h LYS 76 N 0.44 0.76 -0.02 1.25 3.64 -1.95 -3.18 116.57 117.50 2jtr h LYS 76 Ca 0.40 -0.29 -0.21 0.00 -1.27 0.00 0.00 60.65 59.28 2jtr h LYS 76 Cb 0.58 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2jtr h LYS 76 CO -0.39 0.90 -0.87 0.22 -2.27 0.00 0.00 179.45 177.04 2jtr h ASP 77 N 0.67 0.48 -2.60 4.20 3.58 -1.60 -3.44 116.42 117.70 2jtr h ASP 77 Ca 0.10 -0.36 -0.52 0.00 0.42 0.00 0.00 57.03 56.66 2jtr h ASP 77 Cb 0.70 -0.15 0.05 0.00 1.72 0.00 0.00 39.33 41.65 2jtr h ASP 77 CO 0.05 1.15 1.06 -0.38 -2.88 0.00 0.00 179.24 178.24 2jtr n ILE 78 N -3.76 0.14 1.13 2.25 5.41 -0.53 -4.91 119.36 119.10 2jtr n ILE 78 Ca -0.06 -0.03 0.14 0.00 1.00 0.00 0.00 62.75 63.81 2jtr n ILE 78 Cb 0.79 -2.05 0.57 0.00 -0.71 0.00 0.00 39.64 38.24 2jtr n ILE 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jtr n ALA 79 N 4.64 2.64 -1.35 -1.39 0.00 -1.26 -4.91 120.51 118.88 2jtr n ALA 79 Ca 0.17 -0.18 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 2jtr n ALA 79 Cb 0.36 -1.39 0.10 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.85 2.05 0.83 0.00 -1.94 -1.26 -5.02 119.30 111.11 2jtr s MET 80 Ca 0.18 1.83 -0.11 0.00 -1.71 0.00 0.00 55.69 55.88 2jtr s MET 80 Cb 0.19 -1.81 0.09 0.00 2.01 0.00 0.00 34.83 35.31 2jtr s MET 80 CO 0.54 -1.92 1.09 -1.25 -0.01 0.00 0.00 175.02 173.47 2jtr s PRO 81 N -3.87 1.80 0.16 2.03 0.04 -1.26 -4.93 135.00 128.96 2jtr s PRO 81 Ca 0.76 1.00 0.06 0.00 0.04 0.00 0.00 61.00 62.86 2jtr s PRO 81 Cb -0.31 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2jtr s PRO 81 CO 0.46 -1.92 -0.12 0.15 0.04 0.00 0.00 177.00 175.61 2jtr s LYS 82 N -4.92 1.14 0.11 4.56 3.01 -1.26 -1.37 119.74 121.00 2jtr s LYS 82 Ca 0.62 -1.44 -0.01 0.00 -1.01 0.00 0.00 55.97 54.13 2jtr s LYS 82 Cb -0.17 -0.85 -0.04 0.00 -1.01 0.00 0.00 37.83 35.75 2jtr s LYS 82 CO 0.56 0.13 0.02 0.14 0.51 0.00 0.00 175.35 176.72 2jtr s VAL 83 N -2.93 0.18 0.32 3.17 -7.23 0.15 -4.74 120.40 109.31 2jtr s VAL 83 Ca 0.17 -1.88 0.09 0.00 -1.81 0.00 0.00 61.98 58.55 2jtr s VAL 83 Cb -0.00 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 2jtr s VAL 83 CO 0.03 -0.64 0.01 -0.54 -0.31 0.00 0.00 175.10 173.65 2jtr s LYS 84 N -4.00 2.13 0.00 4.82 1.02 -1.26 -0.85 119.74 121.60 2jtr s LYS 84 Ca 0.18 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.52 2jtr s LYS 84 Cb 0.08 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 2jtr s LYS 84 CO -0.02 0.19 0.37 0.41 -0.92 0.00 0.00 175.35 175.38