#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 0.03 0.00 -1.05 -1.26 -1.59 118.70 115.66 2jtr s GLU 2 Ca 0.00 -1.14 -0.06 0.00 -0.15 0.00 0.00 54.97 53.62 2jtr s GLU 2 Cb 0.00 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 33.98 2jtr s GLU 2 CO 0.00 -0.24 0.12 -1.01 0.95 0.00 0.00 175.26 175.08 2jtr s HIS 3 N -3.92 0.14 -0.34 4.83 3.76 -0.73 -4.90 115.29 114.13 2jtr s HIS 3 Ca 0.10 -0.38 -0.05 0.00 -0.15 0.00 0.00 55.06 54.58 2jtr s HIS 3 Cb 0.06 -0.10 0.05 0.00 1.11 0.00 0.00 32.58 33.70 2jtr s HIS 3 CO -0.07 -0.35 0.10 -1.58 -0.85 0.00 0.00 174.74 171.98 2jtr s TRP 4 N -2.26 3.30 -0.33 1.40 0.52 -1.26 -1.01 118.94 119.31 2jtr s TRP 4 Ca -0.08 -1.67 -0.07 0.00 0.02 0.00 0.00 56.10 54.30 2jtr s TRP 4 Cb -0.03 -2.38 0.02 0.00 -1.15 0.00 0.00 33.47 29.93 2jtr s TRP 4 CO -0.03 -0.79 0.11 0.42 0.02 0.00 0.00 176.95 176.69 2jtr s ILE 5 N 1.33 4.01 -0.12 2.03 1.09 -0.39 -0.85 121.20 128.30 2jtr s ILE 5 Ca -0.01 -0.89 -0.28 0.00 -1.10 0.00 0.00 60.65 58.37 2jtr s ILE 5 Cb -0.20 -3.18 -0.02 0.00 -1.06 0.00 0.00 42.46 38.00 2jtr s ILE 5 CO 0.01 -0.08 0.92 -0.62 -0.10 0.00 0.00 174.94 175.07 2jtr s ASP 6 N 1.47 7.14 0.00 3.58 2.15 -0.09 -3.56 116.67 127.36 2jtr s ASP 6 Ca 0.01 1.39 0.04 0.00 0.43 0.00 0.00 52.55 54.42 2jtr s ASP 6 Cb -0.18 -2.51 0.03 0.00 -0.30 0.00 0.00 42.92 39.95 2jtr s ASP 6 CO 0.03 -0.40 0.60 1.33 -0.17 0.00 0.00 175.17 176.57 2jtr n VAL 7 N 4.51 0.00 -0.73 1.11 0.24 -0.78 -1.57 118.33 121.12 2jtr n VAL 7 Ca 0.06 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.34 61.58 2jtr n VAL 7 Cb 0.49 1.08 0.22 0.00 -1.47 0.00 0.00 33.84 34.15 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 -0.35 -0.25 0.71 7.34 1.70 -1.26 -0.95 118.95 125.89 2jtr s ARG 8 Ca 0.04 0.88 -0.16 0.00 -0.47 0.00 0.00 55.73 56.03 2jtr s ARG 8 Cb 0.03 -1.63 0.01 0.00 -0.57 0.00 0.00 34.95 32.79 2jtr s ARG 8 CO 0.05 -3.29 1.05 1.33 -1.08 0.00 0.00 175.30 173.37 2jtr n VAL 9 N -4.62 3.14 0.21 4.99 0.24 -1.26 -4.18 118.33 116.86 2jtr n VAL 9 Ca 0.05 -0.38 0.06 0.00 -2.04 0.00 0.00 64.34 62.03 2jtr n VAL 9 Cb 0.54 -1.18 0.47 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 -0.16 0.00 0.00 7.34 0.13 -1.98 0.06 132.00 137.39 2jtr h PRO 10 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jtr h PRO 10 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2jtr h PRO 10 CO 0.48 0.28 0.00 0.39 -0.23 0.00 0.00 178.00 178.92 2jtr n GLU 11 N -3.91 0.57 -0.04 0.86 1.02 -1.26 -2.35 120.64 115.53 2jtr n GLU 11 Ca -0.02 0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 2jtr n GLU 11 Cb 0.36 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.22 2jtr n GLU 11 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jtr n GLN 12 N -1.03 1.96 -0.18 3.49 1.13 -0.04 -4.51 117.38 118.19 2jtr n GLN 12 Ca 0.14 0.02 -0.01 0.00 -1.94 0.00 0.00 57.00 55.20 2jtr n GLN 12 Cb 0.08 -1.19 0.09 0.00 0.11 0.00 0.00 30.24 29.32 2jtr n GLN 12 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2jtr h TYR 13 N 0.00 0.27 0.00 1.08 3.20 -1.28 -2.61 116.97 117.63 2jtr h TYR 13 Ca -0.21 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 2jtr h TYR 13 Cb 1.42 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 2jtr h TYR 13 CO 0.00 0.04 -0.05 1.96 -1.64 0.00 0.00 178.16 178.47 2jtr h GLN 14 N 0.31 0.00 0.02 1.82 4.20 -1.71 -3.21 115.11 116.56 2jtr h GLN 14 Ca 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 2jtr h GLN 14 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2jtr h GLN 14 CO -0.32 0.05 -0.01 1.96 -0.67 0.00 0.00 178.83 179.84 2jtr h GLN 15 N 0.00 -0.03 -1.57 1.46 1.08 -1.69 -2.27 115.11 112.08 2jtr h GLN 15 Ca -0.00 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 2jtr h GLN 15 Cb 0.13 0.01 -0.25 0.00 -0.05 0.00 0.00 27.48 27.31 2jtr h GLN 15 CO 0.01 0.47 0.50 -2.00 -0.95 0.00 0.00 178.83 176.85 2jtr s GLU 16 N -4.15 0.52 0.01 1.46 2.12 -1.21 -4.24 118.70 113.21 2jtr s GLU 16 Ca -0.16 0.44 -0.08 0.00 0.36 0.00 0.00 54.97 55.53 2jtr s GLU 16 Cb 0.01 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.66 2jtr s GLU 16 CO 0.66 -0.10 0.16 -3.38 -0.54 0.00 0.00 175.26 172.06 2jtr s HIS 17 N -0.20 0.04 0.02 5.30 -3.43 0.34 -4.74 115.29 112.61 2jtr s HIS 17 Ca 0.02 -0.16 -0.35 0.00 -0.80 0.00 0.00 55.06 53.77 2jtr s HIS 17 Cb -0.04 -0.04 -0.13 0.00 -1.43 0.00 0.00 32.58 30.94 2jtr s HIS 17 CO -0.04 -0.33 1.69 0.28 -2.00 0.00 0.00 174.74 174.34 2jtr n VAL 18 N 1.20 0.26 -1.54 -5.38 0.31 -1.26 -0.85 118.33 111.07 2jtr n VAL 18 Ca -0.22 -0.05 -0.50 0.00 -0.01 0.00 0.00 64.34 63.57 2jtr n VAL 18 Cb 0.56 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.84 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 4.79 1.44 -0.60 5.55 7.27 -0.44 -1.30 117.38 134.09 2jtr n GLN 19 Ca 0.20 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.72 2jtr n GLN 19 Cb 0.27 -2.57 0.00 0.00 2.41 0.00 0.00 30.24 30.35 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 5.76 0.77 3.77 1.69 0.00 -1.26 -5.03 105.19 110.89 2jtr n GLY 20 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.85 3.43 0.01 4.61 0.00 -0.42 -4.91 121.76 121.63 2jtr s ALA 21 Ca 0.00 1.45 -0.26 0.00 0.00 0.00 0.00 51.96 53.15 2jtr s ALA 21 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2jtr s ALA 21 CO 0.00 -0.99 0.81 -1.50 0.00 0.00 0.00 175.76 174.08 2jtr s ILE 22 N -1.17 4.83 -0.39 0.00 2.07 -0.03 -4.84 121.20 121.69 2jtr s ILE 22 Ca 0.55 1.72 -0.28 0.00 -1.41 0.00 0.00 60.65 61.22 2jtr s ILE 22 Cb -0.43 -4.16 -0.01 0.00 0.13 0.00 0.00 42.46 37.99 2jtr s ILE 22 CO 0.58 0.28 1.67 0.21 -1.91 0.00 0.00 174.94 175.77 2jtr s ASN 23 N 0.45 5.98 -0.42 4.50 2.47 -1.26 -0.92 114.94 125.74 2jtr s ASN 23 Ca 0.42 1.04 0.05 0.00 0.42 0.00 0.00 52.86 54.79 2jtr s ASN 23 Cb -0.20 -2.53 0.18 0.00 -1.45 0.00 0.00 41.25 37.25 2jtr s ASN 23 CO 0.23 -1.68 0.43 -0.38 -3.72 0.00 0.00 177.10 171.98 2jtr n ILE 24 N 7.28 -0.97 -1.05 -5.21 5.41 -0.61 -4.96 119.36 119.25 2jtr n ILE 24 Ca 0.20 -3.11 -0.35 0.00 1.00 0.00 0.00 62.75 60.49 2jtr n ILE 24 Cb 0.48 -1.25 0.08 0.00 -0.71 0.00 0.00 39.64 38.23 2jtr n ILE 24 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2jtr n PRO 25 N 2.67 0.01 -0.25 0.38 -0.02 -1.22 -4.21 135.00 132.36 2jtr n PRO 25 Ca 0.27 0.04 0.17 0.00 -2.02 0.00 0.00 63.50 61.96 2jtr n PRO 25 Cb 0.50 -1.60 0.47 0.00 -0.02 0.00 0.00 33.50 32.85 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 -0.88 0.48 -0.97 2.45 5.85 -1.26 0.24 115.31 121.22 2jtr h LEU 26 Ca -0.44 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2jtr h LEU 26 Cb 1.32 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2jtr h LEU 26 CO 0.36 0.21 0.00 0.11 -0.34 0.00 0.00 178.44 178.77 2jtr h LYS 27 N 0.49 0.00 0.00 1.25 1.57 -1.90 -3.32 116.57 114.66 2jtr h LYS 27 Ca 0.46 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.19 2jtr h LYS 27 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2jtr h LYS 27 CO -0.19 0.00 -1.24 0.39 -0.57 0.00 0.00 179.45 177.83 2jtr n GLU 28 N -2.53 2.73 -0.33 3.15 -0.58 0.56 -4.81 120.64 118.83 2jtr n GLU 28 Ca 0.02 -0.01 0.08 0.00 -0.42 0.00 0.00 57.16 56.83 2jtr n GLU 28 Cb 0.26 -1.10 0.24 0.00 -0.57 0.00 0.00 31.44 30.27 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 0.81 -0.03 2.62 3.04 -0.84 -1.52 116.25 120.33 2jtr h VAL 29 Ca -0.08 -0.27 0.01 0.00 -1.01 0.00 0.00 66.70 65.35 2jtr h VAL 29 Cb 1.03 -0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.25 2jtr h VAL 29 CO 0.00 0.14 0.02 0.11 -1.01 0.00 0.00 177.57 176.84 2jtr h LYS 30 N 0.79 0.00 0.00 4.17 1.57 -1.86 0.87 116.57 122.11 2jtr h LYS 30 Ca 0.49 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.17 2jtr h LYS 30 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2jtr h LYS 30 CO -0.32 0.00 -0.51 1.49 -0.57 0.00 0.00 179.45 179.54 2jtr h GLU 31 N 0.00 0.00 0.00 3.15 4.81 -1.63 -3.41 114.58 117.50 2jtr h GLU 31 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2jtr h GLU 31 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2jtr h GLU 31 CO -0.00 0.49 -0.45 0.54 -0.73 0.00 0.00 179.01 178.86 2jtr n ARG 32 N -3.22 2.85 -0.10 1.92 1.74 -0.73 -4.76 116.66 114.37 2jtr n ARG 32 Ca 0.02 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.12 2jtr n ARG 32 Cb 0.73 -0.67 0.32 0.00 -1.02 0.00 0.00 32.46 31.83 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 1.16 0.00 0.55 6.09 -1.09 0.51 117.51 124.73 2jtr h ILE 33 Ca 0.00 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 2jtr h ILE 33 Cb 0.00 0.39 0.00 0.00 0.47 0.00 0.00 36.82 37.68 2jtr h ILE 33 CO 0.00 0.17 0.00 0.00 -3.07 0.00 0.00 178.15 175.25 2jtr n ALA 34 N -2.45 1.30 -0.01 0.18 0.00 -1.26 -0.74 120.51 117.53 2jtr n ALA 34 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 2jtr n ALA 34 Cb 0.08 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.45 0.07 -0.13 0.00 -1.04 -0.32 -3.77 114.28 107.66 2jtr n THR 35 Ca 0.02 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.05 61.90 2jtr n THR 35 Cb 0.06 -0.75 0.05 0.00 -1.82 0.00 0.00 70.33 67.86 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 0.03 0.79 -2.23 2.41 0.00 -0.80 -3.38 119.26 116.08 2jtr h ALA 36 Ca -0.03 -0.38 -0.58 0.00 0.00 0.00 0.00 54.91 53.92 2jtr h ALA 36 Cb 1.06 -0.16 -0.38 0.00 0.00 0.00 0.00 17.79 18.30 2jtr h ALA 36 CO -0.00 0.65 -1.03 0.28 0.00 0.00 0.00 179.25 179.16 2jtr n VAL 37 N -4.11 -1.04 -0.12 0.00 0.31 0.08 -4.99 118.33 108.46 2jtr n VAL 37 Ca 0.00 -3.63 0.03 0.00 -0.01 0.00 0.00 64.34 60.74 2jtr n VAL 37 Cb 0.44 -1.76 0.34 0.00 -0.91 0.00 0.00 33.84 31.95 2jtr n VAL 37 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2jtr h PRO 38 N 5.05 0.75 -6.40 5.55 0.11 -1.71 -3.40 132.00 131.95 2jtr h PRO 38 Ca 0.20 -0.05 -0.54 0.00 0.11 0.00 0.00 66.00 65.72 2jtr h PRO 38 Cb 0.90 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 31.77 2jtr h PRO 38 CO 0.40 0.50 1.06 0.34 -0.21 0.00 0.00 178.00 180.09 2jtr s ASP 39 N -6.47 6.17 0.25 -2.05 2.15 -1.26 -4.89 116.67 110.57 2jtr s ASP 39 Ca -0.10 -0.16 0.20 0.00 0.43 0.00 0.00 52.55 52.93 2jtr s ASP 39 Cb 0.18 -2.55 0.98 0.00 -0.30 0.00 0.00 42.92 41.22 2jtr s ASP 39 CO 0.76 -1.77 1.61 0.29 -0.17 0.00 0.00 175.17 175.89 2jtr n LYS 40 N 9.03 0.14 0.15 4.34 5.02 -1.26 -1.51 118.16 134.07 2jtr n LYS 40 Ca 0.07 0.53 0.13 0.00 -2.02 0.00 0.00 58.31 57.02 2jtr n LYS 40 Cb 0.49 -1.87 0.33 0.00 -0.02 0.00 0.00 35.03 33.97 2jtr n LYS 40 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2jtr h ASN 41 N 0.00 0.00 -4.04 4.39 -0.00 -1.92 -3.27 115.58 110.73 2jtr h ASN 41 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 56.30 55.79 2jtr h ASN 41 Cb 0.14 0.00 0.07 0.00 -0.00 0.00 0.00 38.32 38.53 2jtr h ASN 41 CO 0.00 0.00 0.46 -0.62 -0.00 0.00 0.00 177.43 177.27 2jtr s ASP 42 N -5.13 5.92 -0.71 1.15 2.15 -0.57 -4.81 116.67 114.67 2jtr s ASP 42 Ca 0.09 2.25 -0.27 0.00 0.43 0.00 0.00 52.55 55.05 2jtr s ASP 42 Cb 0.10 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.15 2jtr s ASP 42 CO 0.62 -1.09 1.36 -0.89 -0.17 0.00 0.00 175.17 175.00 2jtr s THR 43 N -1.65 3.69 -1.02 1.71 2.01 -0.62 -4.61 115.64 115.15 2jtr s THR 43 Ca 0.68 0.42 -0.23 0.00 0.31 0.00 0.00 61.69 62.88 2jtr s THR 43 Cb -0.27 -4.76 0.06 0.00 0.01 0.00 0.00 72.50 67.55 2jtr s THR 43 CO 0.31 -1.67 1.43 -0.69 -0.69 0.00 0.00 174.62 173.30 2jtr s VAL 44 N 6.16 3.99 0.14 3.82 1.01 -0.74 -1.77 120.40 133.02 2jtr s VAL 44 Ca 0.41 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 2jtr s VAL 44 Cb -0.09 -5.04 -0.09 0.00 0.00 0.00 0.00 36.38 31.16 2jtr s VAL 44 CO 0.17 -1.90 1.48 -0.54 0.00 0.00 0.00 175.10 174.31 2jtr s LYS 45 N 4.77 4.27 0.02 2.72 -0.14 -0.18 -1.60 119.74 129.60 2jtr s LYS 45 Ca 0.45 2.23 0.05 0.00 -1.36 0.00 0.00 55.97 57.34 2jtr s LYS 45 Cb -0.00 -3.20 -0.02 0.00 -1.68 0.00 0.00 37.83 32.93 2jtr s LYS 45 CO -0.10 -0.52 -0.15 0.14 -0.76 0.00 0.00 175.35 173.96 2jtr s VAL 46 N 1.11 1.20 0.20 3.17 -7.23 -0.30 -1.27 120.40 117.27 2jtr s VAL 46 Ca 0.67 -0.87 -0.12 0.00 -1.81 0.00 0.00 61.98 59.86 2jtr s VAL 46 Cb -0.40 -1.04 -0.00 0.00 0.56 0.00 0.00 36.38 35.49 2jtr s VAL 46 CO 0.31 0.16 0.39 -0.72 -0.31 0.00 0.00 175.10 174.93 2jtr s TYR 47 N -0.63 0.30 0.00 2.82 1.13 -1.23 -0.92 117.35 118.81 2jtr s TYR 47 Ca 0.04 -0.65 0.00 0.00 -1.41 0.00 0.00 57.07 55.05 2jtr s TYR 47 Cb -0.07 0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.89 2jtr s TYR 47 CO 0.01 -0.85 0.00 0.00 -2.51 0.00 0.00 175.55 172.20 2jtr s ASN 49 N 1.90 2.52 -1.25 0.00 3.84 -1.26 -1.66 114.94 119.03 2jtr s ASN 49 Ca 0.00 -0.42 0.00 0.00 0.21 0.00 0.00 52.86 52.65 2jtr s ASN 49 Cb 0.00 -0.81 0.00 0.00 -0.55 0.00 0.00 41.25 39.89 2jtr s ASN 49 CO 0.00 0.17 0.00 0.00 -2.79 0.00 0.00 177.10 174.48 2jtr n ALA 50 N 3.21 -0.18 0.00 1.71 0.00 -1.26 -4.20 120.51 119.79 2jtr n ALA 50 Ca -0.19 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2jtr n ALA 50 Cb 0.53 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 0.17 1.83 0.17 0.00 0.00 -1.26 -4.81 105.19 101.28 2jtr n GLY 51 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 2jtr n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jtr h ARG 52 N 0.00 0.06 -0.30 1.61 0.11 -1.97 -0.16 114.38 113.72 2jtr h ARG 52 Ca 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2jtr h ARG 52 Cb 0.00 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 2jtr h ARG 52 CO 0.00 0.04 0.12 1.96 0.10 0.00 0.00 179.97 182.19 2jtr h GLN 53 N 0.06 0.42 -0.07 0.08 7.50 -1.87 -0.28 115.11 120.94 2jtr h GLN 53 Ca 0.19 -0.05 -0.24 0.00 0.50 0.00 0.00 58.65 59.05 2jtr h GLN 53 Cb 0.28 -0.08 0.02 0.00 0.05 0.00 0.00 27.48 27.75 2jtr h GLN 53 CO -0.36 0.36 -0.90 0.77 -1.50 0.00 0.00 178.83 177.20 2jtr h SER 54 N 0.43 0.92 -0.41 1.46 0.02 -1.47 0.82 113.55 115.32 2jtr h SER 54 Ca 0.11 -0.69 -0.02 0.00 -0.84 0.00 0.00 61.79 60.35 2jtr h SER 54 Cb 0.10 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2jtr h SER 54 CO -0.01 1.47 0.16 1.23 -1.14 0.00 0.00 176.83 178.54 2jtr h GLY 55 N 0.45 0.66 1.01 -3.77 0.00 -0.75 0.67 103.07 101.34 2jtr h GLY 55 Ca -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.88 2jtr h GLY 55 CO 0.18 0.34 0.47 1.46 0.00 0.00 0.00 176.54 179.00 2jtr h GLN 56 N 0.52 0.94 -0.41 4.80 1.08 -1.08 -1.43 115.11 119.53 2jtr h GLN 56 Ca 0.14 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2jtr h GLN 56 Cb 0.19 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2jtr h GLN 56 CO -0.01 0.62 0.09 0.00 -0.95 0.00 0.00 178.83 178.58 2jtr h ALA 57 N 1.26 0.54 -0.77 3.87 0.00 -0.49 -2.32 119.26 121.36 2jtr h ALA 57 Ca 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jtr h ALA 57 Cb -0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2jtr h ALA 57 CO -0.06 0.24 0.47 -0.22 0.00 0.00 0.00 179.25 179.68 2jtr h LYS 58 N 0.53 1.03 -0.01 0.00 3.64 -0.56 0.15 116.57 121.35 2jtr h LYS 58 Ca 0.13 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jtr h LYS 58 Cb 0.34 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2jtr h LYS 58 CO 0.00 0.72 0.00 1.49 -2.27 0.00 0.00 179.45 179.39 2jtr h GLU 59 N 1.05 0.02 -0.20 1.90 4.57 -1.03 -1.17 114.58 119.72 2jtr h GLU 59 Ca 0.28 -0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.30 2jtr h GLU 59 Cb -0.06 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2jtr h GLU 59 CO -0.05 0.25 -0.52 -0.84 -1.18 0.00 0.00 179.01 176.66 2jtr h ILE 60 N -0.21 1.32 -0.15 2.32 3.07 -1.20 -2.83 117.51 119.83 2jtr h ILE 60 Ca 0.00 -1.75 -0.15 0.00 1.55 0.00 0.00 64.86 64.52 2jtr h ILE 60 Cb 0.24 1.72 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 2jtr h ILE 60 CO 0.00 0.55 -0.54 -0.07 -1.05 0.00 0.00 178.15 177.04 2jtr h LEU 61 N 0.44 0.48 -0.88 0.16 3.38 -0.91 0.21 115.31 118.19 2jtr h LEU 61 Ca 0.02 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2jtr h LEU 61 Cb 1.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2jtr h LEU 61 CO 0.10 0.92 -0.29 0.77 0.09 0.00 0.00 178.44 180.03 2jtr h SER 62 N 0.33 0.50 -0.50 -0.43 4.64 -1.22 -0.91 113.55 115.96 2jtr h SER 62 Ca 0.01 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.06 2jtr h SER 62 Cb 1.05 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 2jtr h SER 62 CO 0.09 0.77 0.01 -0.08 -0.87 0.00 0.00 176.83 176.76 2jtr h GLU 63 N 0.42 0.93 0.00 4.77 4.81 -1.18 -1.76 114.58 122.57 2jtr h GLU 63 Ca 0.06 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2jtr h GLU 63 Cb 0.73 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2jtr h GLU 63 CO 0.06 0.91 0.00 -1.33 -0.73 0.00 0.00 179.01 177.92 2jtr n MET 64 N -4.20 0.05 0.00 1.92 2.81 0.02 -4.89 117.12 112.83 2jtr n MET 64 Ca 0.03 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 2jtr n MET 64 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 -0.03 0.85 3.77 3.03 0.00 -0.59 -5.06 105.19 107.16 2jtr n GLY 65 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 3.03 0.00 1.61 1.51 -0.45 -4.95 117.35 116.09 2jtr s TYR 66 Ca 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 2jtr s TYR 66 Cb 0.00 -3.39 0.00 0.00 -0.11 0.00 0.00 41.96 38.46 2jtr s TYR 66 CO 0.00 -1.36 0.58 0.25 -1.11 0.00 0.00 175.55 173.91 2jtr n THR 67 N -0.03 0.32 -2.52 -0.71 -2.24 -1.23 -4.10 114.28 103.77 2jtr n THR 67 Ca 0.05 -0.51 0.03 0.00 -2.27 0.00 0.00 64.05 61.35 2jtr n THR 67 Cb 0.47 1.00 0.03 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.16 0.20 -2.63 4.78 8.25 -1.26 -5.06 115.22 119.33 2jtr n HIS 68 Ca 0.00 -0.78 -0.41 0.00 -0.26 0.00 0.00 57.72 56.27 2jtr n HIS 68 Cb 0.19 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.69 4.33 -0.05 1.59 1.01 -1.26 -1.80 120.40 123.54 2jtr s VAL 69 Ca 0.33 1.87 -0.02 0.00 0.00 0.00 0.00 61.98 64.17 2jtr s VAL 69 Cb 0.38 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2jtr s VAL 69 CO -0.15 0.26 0.08 -0.70 0.00 0.00 0.00 175.10 174.59 2jtr s GLU 70 N 0.18 -0.04 -0.41 2.72 2.12 -0.63 -4.95 118.70 117.70 2jtr s GLU 70 Ca 0.50 0.38 -0.29 0.00 0.36 0.00 0.00 54.97 55.92 2jtr s GLU 70 Cb -0.25 -0.39 0.01 0.00 0.26 0.00 0.00 34.13 33.76 2jtr s GLU 70 CO 0.31 -0.28 1.34 1.21 -0.54 0.00 0.00 175.26 177.29 2jtr s ASN 71 N 1.91 6.45 0.35 -1.70 3.04 -1.26 -1.15 114.94 122.58 2jtr s ASN 71 Ca 0.01 0.81 0.13 0.00 0.04 0.00 0.00 52.86 53.84 2jtr s ASN 71 Cb -0.12 -2.54 0.64 0.00 -1.54 0.00 0.00 41.25 37.68 2jtr s ASN 71 CO -0.04 -1.34 1.77 0.00 -3.04 0.00 0.00 177.10 174.45 2jtr h ALA 72 N 10.18 1.24 0.00 1.71 0.00 -1.41 -3.48 119.26 127.50 2jtr h ALA 72 Ca -0.26 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2jtr h ALA 72 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jtr h ALA 72 CO 1.09 0.54 0.00 0.41 0.00 0.00 0.00 179.25 181.29 2jtr n GLY 73 N -0.23 0.22 3.41 0.00 0.00 -1.26 -4.77 105.19 102.57 2jtr n GLY 73 Ca -0.02 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 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 1.71 0.28 -0.02 0.00 -1.26 -3.53 107.32 104.49 2jtr s GLY 74 Ca 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 44.72 42.84 2jtr s GLY 74 CO 0.00 -1.83 1.58 -2.00 0.00 0.00 0.00 173.10 170.85 2jtr h LEU 75 N 2.36 -0.64 -0.65 0.66 5.85 -1.71 0.23 115.31 121.41 2jtr h LEU 75 Ca -0.39 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2jtr h LEU 75 Cb 1.23 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.77 2jtr h LEU 75 CO 0.65 -0.30 0.00 2.29 -0.34 0.00 0.00 178.44 180.74 2jtr n LYS 76 N -5.51 0.14 -0.00 1.25 2.85 -1.26 -3.34 118.16 112.28 2jtr n LYS 76 Ca 0.17 0.43 0.01 0.00 -1.05 0.00 0.00 58.31 57.87 2jtr n LYS 76 Cb 0.56 -1.79 -0.01 0.00 -0.65 0.00 0.00 35.03 33.14 2jtr n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jtr n ASP 77 N -2.06 1.09 -4.74 -5.58 2.03 0.05 -5.00 116.55 102.34 2jtr n ASP 77 Ca 0.02 -0.43 -0.42 0.00 0.52 0.00 0.00 54.79 54.48 2jtr n ASP 77 Cb 0.17 1.02 -0.02 0.00 -0.72 0.00 0.00 41.12 41.57 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 -1.42 2.59 -0.02 5.18 -1.09 -1.10 -4.91 121.20 120.43 2jtr s ILE 78 Ca 0.00 0.48 0.31 0.00 -2.23 0.00 0.00 60.65 59.21 2jtr s ILE 78 Cb 0.02 -3.31 0.38 0.00 -1.58 0.00 0.00 42.46 37.97 2jtr s ILE 78 CO 0.09 0.07 1.90 0.00 -1.23 0.00 0.00 174.94 175.77 2jtr h ALA 79 N 5.37 1.00 -2.54 9.38 0.00 -1.92 -3.46 119.26 127.09 2jtr h ALA 79 Ca -0.45 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.92 2jtr h ALA 79 Cb 1.22 -0.00 0.16 0.00 0.00 0.00 0.00 17.79 19.17 2jtr h ALA 79 CO 0.81 0.01 0.34 -1.64 0.00 0.00 0.00 179.25 178.76 2jtr s MET 80 N -3.56 1.85 0.73 0.00 -1.94 -1.26 -5.02 119.30 110.10 2jtr s MET 80 Ca 0.02 1.64 -0.13 0.00 -1.71 0.00 0.00 55.69 55.52 2jtr s MET 80 Cb 0.08 -1.81 0.04 0.00 2.01 0.00 0.00 34.83 35.15 2jtr s MET 80 CO 0.57 -2.03 1.13 -1.25 -0.01 0.00 0.00 175.02 173.43 2jtr s PRO 81 N -4.21 2.32 0.00 2.03 0.04 -1.26 -4.93 135.00 128.99 2jtr s PRO 81 Ca 0.71 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 63.10 2jtr s PRO 81 Cb -0.26 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 2jtr s PRO 81 CO 0.50 -1.62 0.11 -1.59 0.04 0.00 0.00 177.00 174.43 2jtr s LYS 82 N -4.36 0.43 0.13 4.56 0.00 -1.26 -1.32 119.74 117.92 2jtr s LYS 82 Ca 0.66 -0.38 -0.09 0.00 0.00 0.00 0.00 55.97 56.16 2jtr s LYS 82 Cb -0.21 0.18 -0.01 0.00 0.00 0.00 0.00 37.83 37.79 2jtr s LYS 82 CO 0.48 -0.10 0.24 0.14 0.00 0.00 0.00 175.35 176.11 2jtr s VAL 83 N -1.28 0.10 0.57 1.79 -7.23 -0.03 -4.85 120.40 109.47 2jtr s VAL 83 Ca -0.14 -1.29 -0.20 0.00 -1.81 0.00 0.00 61.98 58.55 2jtr s VAL 83 Cb -0.07 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 2jtr s VAL 83 CO 0.01 -0.46 1.03 0.29 -0.31 0.00 0.00 175.10 175.66 2jtr n LYS 84 N -0.14 1.06 0.00 4.82 4.76 -1.26 -0.51 118.16 126.88 2jtr n LYS 84 Ca -0.11 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 2jtr n LYS 84 Cb 0.63 -2.21 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 2jtr n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44