#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p0r s ILE 2 N 0.00 -0.28 0.06 1.12 1.01 -0.67 -4.54 121.20 117.90 1p0r s ILE 2 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.64 1p0r s ILE 2 Cb 0.00 -0.46 -0.06 0.00 0.01 0.00 0.00 42.46 41.95 1p0r s ILE 2 CO 0.00 -0.01 0.48 -0.70 0.00 0.00 0.00 174.94 174.71 1p0r s GLU 3 N 2.30 3.99 -0.10 2.79 2.12 -1.26 -1.96 118.70 126.57 1p0r s GLU 3 Ca 0.04 0.49 -0.03 0.00 0.36 0.00 0.00 54.97 55.83 1p0r s GLU 3 Cb -0.14 -3.13 0.04 0.00 0.26 0.00 0.00 34.13 31.17 1p0r s GLU 3 CO -0.08 0.61 0.07 0.14 -0.54 0.00 0.00 175.26 175.46 1p0r s VAL 4 N -1.21 -0.04 -0.18 3.70 -7.23 -1.01 -2.15 120.40 112.27 1p0r s VAL 4 Ca 0.29 0.11 -0.25 0.00 -1.81 0.00 0.00 61.98 60.32 1p0r s VAL 4 Cb -0.17 -0.40 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 1p0r s VAL 4 CO 0.17 -0.03 0.84 -0.69 -0.31 0.00 0.00 175.10 175.08 1p0r s VAL 5 N 2.13 4.87 -0.96 1.32 1.01 -0.85 -1.34 120.40 126.57 1p0r s VAL 5 Ca 0.03 1.64 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 1p0r s VAL 5 Cb -0.14 -4.14 0.19 0.00 0.00 0.00 0.00 36.38 32.29 1p0r s VAL 5 CO -0.06 0.00 1.05 0.00 0.00 0.00 0.00 175.10 176.10 1p0r s ASN 7 N 2.72 6.50 -0.93 0.00 3.84 -1.07 -2.60 114.94 123.41 1p0r s ASN 7 Ca 0.29 1.39 -0.22 0.00 0.21 0.00 0.00 52.86 54.52 1p0r s ASN 7 Cb -0.07 -2.54 0.07 0.00 -0.55 0.00 0.00 41.25 38.17 1p0r s ASN 7 CO -0.08 -1.19 1.29 -1.81 -2.79 0.00 0.00 177.10 172.52 1p0r s ASP 8 N 3.58 6.47 0.51 -4.21 1.11 -0.55 -1.33 116.67 122.24 1p0r s ASP 8 Ca 0.64 -1.46 0.24 0.00 0.18 0.00 0.00 52.55 52.15 1p0r s ASP 8 Cb -0.20 -2.51 1.33 0.00 1.07 0.00 0.00 42.92 42.61 1p0r s ASP 8 CO 0.27 -1.42 1.97 -0.09 1.18 0.00 0.00 175.17 177.08 1p0r h ARG 9 N 9.53 0.08 -0.67 8.23 9.65 -1.25 -0.44 114.38 139.50 1p0r h ARG 9 Ca 0.08 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.06 1p0r h ARG 9 Cb 1.02 -0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 29.51 1p0r h ARG 9 CO 1.30 0.05 0.29 1.25 2.80 0.00 0.00 179.97 185.66 1p0r h LEU 10 N 0.08 0.33 0.00 3.80 6.46 -1.89 -3.44 115.31 120.65 1p0r h LEU 10 Ca 0.29 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1p0r h LEU 10 Cb 1.03 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 1p0r h LEU 10 CO -0.03 0.18 0.00 0.61 -0.62 0.00 0.00 178.44 178.58 1p0r n GLY 11 N -1.30 -1.24 3.63 3.75 0.00 -0.27 -5.08 105.19 104.67 1p0r n GLY 11 Ca 0.11 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1p0r n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p0r s LYS 12 N 0.00 0.47 -0.16 1.61 2.47 -0.60 -5.05 119.74 118.48 1p0r s LYS 12 Ca 0.00 -0.25 -0.02 0.00 -1.56 0.00 0.00 55.97 54.14 1p0r s LYS 12 Cb 0.00 0.17 0.05 0.00 -1.46 0.00 0.00 37.83 36.59 1p0r s LYS 12 CO 0.00 -0.21 0.02 0.15 0.16 0.00 0.00 175.35 175.47 1p0r s LYS 13 N -2.52 0.67 -0.26 4.03 3.01 -1.26 -1.49 119.74 121.93 1p0r s LYS 13 Ca 0.13 -0.28 -0.01 0.00 -1.01 0.00 0.00 55.97 54.80 1p0r s LYS 13 Cb 0.03 -1.80 0.08 0.00 -1.01 0.00 0.00 37.83 35.14 1p0r s LYS 13 CO -0.03 -0.54 0.05 0.08 0.51 0.00 0.00 175.35 175.42 1p0r s VAL 14 N 1.88 0.85 0.31 3.17 1.01 -1.07 -4.97 120.40 121.58 1p0r s VAL 14 Ca 0.01 -1.07 -0.24 0.00 0.00 0.00 0.00 61.98 60.68 1p0r s VAL 14 Cb -0.16 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.67 1p0r s VAL 14 CO -0.07 -0.42 0.89 -0.13 0.00 0.00 0.00 175.10 175.36 1p0r s ARG 15 N 1.67 4.45 0.26 2.72 0.52 -1.26 -1.56 118.95 125.74 1p0r s ARG 15 Ca 0.04 1.18 0.09 0.00 -0.52 0.00 0.00 55.73 56.51 1p0r s ARG 15 Cb -0.17 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.51 1p0r s ARG 15 CO -0.16 0.27 -0.13 0.08 0.02 0.00 0.00 175.30 175.38 1p0r s VAL 16 N -1.67 1.93 -0.09 3.52 1.01 -0.45 -4.81 120.40 119.84 1p0r s VAL 16 Ca 0.50 -2.23 -0.00 0.00 0.00 0.00 0.00 61.98 60.24 1p0r s VAL 16 Cb -0.17 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.96 1p0r s VAL 16 CO 0.22 -0.43 -0.06 -0.75 0.00 0.00 0.00 175.10 174.08 1p0r s LYS 17 N -3.63 1.22 0.00 2.72 2.47 -1.26 -2.41 119.74 118.84 1p0r s LYS 17 Ca 0.27 -0.16 0.00 0.00 -1.56 0.00 0.00 55.97 54.52 1p0r s LYS 17 Cb -0.00 -1.30 0.00 0.00 -1.46 0.00 0.00 37.83 35.07 1p0r s LYS 17 CO 0.11 -0.21 0.00 0.00 0.16 0.00 0.00 175.35 175.41 1p0r s ASN 19 N 1.30 -0.44 0.23 0.00 2.20 -1.18 -1.67 114.94 115.39 1p0r s ASN 19 Ca 0.00 -0.13 -0.06 0.00 -0.94 0.00 0.00 52.86 51.73 1p0r s ASN 19 Cb 0.00 0.57 0.40 0.00 -2.00 0.00 0.00 41.25 40.21 1p0r s ASN 19 CO 0.00 -0.95 1.75 0.00 -2.94 0.00 0.00 177.10 174.96 1p0r h THR 20 N 2.00 0.73 -0.75 0.54 1.03 -1.86 0.01 112.91 114.61 1p0r h THR 20 Ca -0.28 -0.17 0.14 0.00 -0.01 0.00 0.00 66.41 66.09 1p0r h THR 20 Cb 1.28 0.20 -0.05 0.00 -1.07 0.00 0.00 68.15 68.51 1p0r h THR 20 CO 0.33 0.09 0.50 -0.78 -0.01 0.00 0.00 175.52 175.65 1p0r h ASP 21 N 0.49 0.41 -4.10 0.00 3.58 -1.93 -3.31 116.42 111.56 1p0r h ASP 21 Ca 0.38 0.02 -0.51 0.00 0.42 0.00 0.00 57.03 57.35 1p0r h ASP 21 Cb 0.51 -0.06 0.20 0.00 1.72 0.00 0.00 39.33 41.71 1p0r h ASP 21 CO -0.35 0.21 0.19 -0.62 -2.88 0.00 0.00 179.24 175.79 1p0r s ASP 22 N -5.97 2.53 0.49 2.28 2.15 -0.01 -4.86 116.67 113.27 1p0r s ASP 22 Ca -0.08 2.11 0.04 0.00 0.43 0.00 0.00 52.55 55.05 1p0r s ASP 22 Cb 0.21 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.28 1p0r s ASP 22 CO 0.77 -3.34 0.13 0.42 -0.17 0.00 0.00 175.17 172.99 1p0r s THR 23 N -2.61 1.62 0.10 1.71 -4.23 -1.26 -3.73 115.64 107.24 1p0r s THR 23 Ca 0.67 -1.82 -0.17 0.00 -1.18 0.00 0.00 61.69 59.19 1p0r s THR 23 Cb -0.23 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 1p0r s THR 23 CO 0.59 0.00 1.56 0.40 -0.54 0.00 0.00 174.62 176.63 1p0r h ILE 24 N 1.28 1.24 -0.88 2.99 1.08 -1.76 -2.00 117.51 119.46 1p0r h ILE 24 Ca -0.42 -0.87 0.07 0.00 -0.39 0.00 0.00 64.86 63.25 1p0r h ILE 24 Cb 1.29 1.20 -0.06 0.00 -3.07 0.00 0.00 36.82 36.18 1p0r h ILE 24 CO 0.70 0.28 0.55 1.23 -0.69 0.00 0.00 178.15 180.23 1p0r h GLY 25 N 0.35 1.34 0.88 5.37 0.00 -1.85 -0.04 103.07 109.11 1p0r h GLY 25 Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1p0r h GLY 25 CO 0.01 0.26 0.07 -0.55 0.00 0.00 0.00 176.54 176.33 1p0r h ASP 26 N 0.99 0.34 -0.62 0.19 3.32 -1.91 -2.43 116.42 116.30 1p0r h ASP 26 Ca 0.39 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1p0r h ASP 26 Cb 0.19 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1p0r h ASP 26 CO -0.18 0.46 0.37 -0.07 -1.72 0.00 0.00 179.24 178.10 1p0r h LEU 27 N 0.20 0.58 -0.87 1.55 3.38 -0.70 0.63 115.31 120.08 1p0r h LEU 27 Ca 0.07 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1p0r h LEU 27 Cb 0.25 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1p0r h LEU 27 CO -0.00 0.40 0.55 0.11 0.09 0.00 0.00 178.44 179.59 1p0r h LYS 28 N 0.71 0.99 -0.02 1.13 1.79 -0.88 -1.27 116.57 119.03 1p0r h LYS 28 Ca 0.26 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.54 1p0r h LYS 28 Cb 0.07 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 1p0r h LYS 28 CO -0.12 0.65 -0.59 -0.22 -1.08 0.00 0.00 179.45 178.09 1p0r h LYS 29 N 1.02 0.06 -0.35 3.15 1.63 -0.85 -1.34 116.57 119.88 1p0r h LYS 29 Ca 0.37 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.18 1p0r h LYS 29 Cb 0.13 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1p0r h LYS 29 CO -0.16 0.63 0.09 -0.07 -3.45 0.00 0.00 179.45 176.50 1p0r h LEU 30 N 0.05 0.07 0.12 5.20 4.07 0.32 0.51 115.31 125.64 1p0r h LEU 30 Ca -0.01 0.05 -0.16 0.00 0.08 0.00 0.00 57.88 57.84 1p0r h LEU 30 Cb 1.05 0.05 0.02 0.00 1.08 0.00 0.00 40.66 42.86 1p0r h LEU 30 CO 0.08 0.07 -0.73 0.40 -1.08 0.00 0.00 178.44 177.18 1p0r h ILE 31 N 0.23 1.52 -0.60 1.22 5.03 -1.50 -3.33 117.51 120.09 1p0r h ILE 31 Ca 0.16 -2.50 0.02 0.00 -0.12 0.00 0.00 64.86 62.42 1p0r h ILE 31 Cb 0.17 3.20 -0.03 0.00 -3.03 0.00 0.00 36.82 37.12 1p0r h ILE 31 CO -0.19 0.70 0.40 0.00 -0.68 0.00 0.00 178.15 178.37 1p0r h ALA 32 N 0.06 1.63 -0.76 1.87 0.00 -1.16 -1.27 119.26 119.62 1p0r h ALA 32 Ca -0.13 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.20 1p0r h ALA 32 Cb 1.55 -0.22 -0.22 0.00 0.00 0.00 0.00 17.79 18.90 1p0r h ALA 32 CO 0.12 0.33 0.68 0.00 0.00 0.00 0.00 179.25 180.37 1p0r n ALA 33 N -2.45 5.93 0.16 0.00 0.00 0.18 -2.58 120.51 121.75 1p0r n ALA 33 Ca 0.06 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.67 1p0r n ALA 33 Cb 0.09 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1p0r n ALA 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1p0r n GLN 34 N -0.21 0.00 -0.02 0.00 1.13 -0.80 -4.93 117.38 112.54 1p0r n GLN 34 Ca 0.48 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.58 1p0r n GLN 34 Cb 0.57 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.78 1p0r n GLN 34 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1p0r n THR 35 N -3.26 0.61 -1.72 5.09 -2.24 -0.55 -5.03 114.28 107.19 1p0r n THR 35 Ca 0.00 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1p0r n THR 35 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1p0r n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p0r n GLY 36 N 1.41 0.67 0.48 3.38 0.00 -1.06 -5.00 105.19 105.07 1p0r n GLY 36 Ca -0.13 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.60 1p0r n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p0r n THR 37 N -1.21 2.09 -1.22 2.61 -2.24 -1.26 -5.05 114.28 108.00 1p0r n THR 37 Ca 0.00 -2.09 0.16 0.00 -2.27 0.00 0.00 64.05 59.85 1p0r n THR 37 Cb 0.49 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 1p0r n THR 37 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1p0r n ARG 38 N -0.99 -2.52 -0.22 -0.78 5.12 -1.26 -4.31 116.66 111.69 1p0r n ARG 38 Ca 0.19 1.74 0.01 0.00 -1.93 0.00 0.00 57.85 57.86 1p0r n ARG 38 Cb 0.77 -3.05 0.02 0.00 -1.16 0.00 0.00 32.46 29.03 1p0r n ARG 38 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 1p0r n TRP 39 N -3.84 0.00 0.05 -1.55 4.27 -1.26 -4.34 117.44 110.77 1p0r n TRP 39 Ca -0.01 -0.20 0.00 0.00 -3.89 0.00 0.00 57.50 53.41 1p0r n TRP 39 Cb 0.56 -0.05 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 1p0r n TRP 39 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 1p0r n ASN 40 N -0.26 0.88 0.13 -0.67 5.15 -1.26 -4.77 115.26 114.46 1p0r n ASN 40 Ca 0.02 0.13 0.01 0.00 -0.60 0.00 0.00 54.58 54.14 1p0r n ASN 40 Cb 0.58 -0.25 0.30 0.00 -0.53 0.00 0.00 39.78 39.88 1p0r n ASN 40 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1p0r h LYS 41 N 0.00 0.15 -6.79 1.20 3.64 -1.90 -3.44 116.57 109.43 1p0r h LYS 41 Ca 0.00 -0.06 -0.53 0.00 -1.27 0.00 0.00 60.65 58.79 1p0r h LYS 41 Cb 0.16 -0.01 0.08 0.00 -0.41 0.00 0.00 32.23 32.05 1p0r h LYS 41 CO 0.00 0.48 0.86 -1.50 -2.27 0.00 0.00 179.45 177.02 1p0r s ILE 42 N -4.26 2.19 -0.85 2.00 2.07 -1.26 -4.31 121.20 116.77 1p0r s ILE 42 Ca -0.04 0.16 -0.11 0.00 -1.41 0.00 0.00 60.65 59.25 1p0r s ILE 42 Cb 0.14 -3.10 0.22 0.00 0.13 0.00 0.00 42.46 39.85 1p0r s ILE 42 CO 0.75 0.03 0.78 -0.69 -1.91 0.00 0.00 174.94 173.89 1p0r s VAL 43 N -0.03 5.38 -0.74 4.00 1.01 -0.03 -4.94 120.40 125.05 1p0r s VAL 43 Ca 0.62 -2.75 -0.17 0.00 0.00 0.00 0.00 61.98 59.68 1p0r s VAL 43 Cb -0.47 -4.32 0.15 0.00 0.00 0.00 0.00 36.38 31.74 1p0r s VAL 43 CO 0.47 -1.04 0.80 -0.76 0.00 0.00 0.00 175.10 174.57 1p0r s LEU 44 N -0.16 5.85 -0.05 3.92 1.43 -1.26 -2.11 118.68 126.29 1p0r s LEU 44 Ca 0.20 -2.02 -0.01 0.00 -1.03 0.00 0.00 54.13 51.27 1p0r s LEU 44 Cb -0.11 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.85 1p0r s LEU 44 CO -0.08 -0.90 0.03 -0.54 0.23 0.00 0.00 176.35 175.09 1p0r s LYS 45 N 1.75 0.22 -0.55 1.70 1.02 -0.91 -4.52 119.74 118.45 1p0r s LYS 45 Ca 0.17 0.24 -0.28 0.00 0.02 0.00 0.00 55.97 56.13 1p0r s LYS 45 Cb -0.16 -0.68 0.02 0.00 -0.52 0.00 0.00 37.83 36.49 1p0r s LYS 45 CO -0.02 -0.30 1.29 0.21 -0.92 0.00 0.00 175.35 175.61 1p0r s LYS 46 N 1.97 3.46 0.00 1.68 2.36 -1.26 -2.42 119.74 125.53 1p0r s LYS 46 Ca 0.03 0.41 0.00 0.00 -2.55 0.00 0.00 55.97 53.87 1p0r s LYS 46 Cb -0.12 -4.05 0.00 0.00 -1.05 0.00 0.00 37.83 32.61 1p0r s LYS 46 CO -0.04 -1.75 0.00 0.91 1.55 0.00 0.00 175.35 176.03 1p0r n TRP 47 N 8.86 0.00 0.00 4.03 5.03 -1.26 -3.57 117.44 130.53 1p0r n TRP 47 Ca 0.11 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.64 1p0r n TRP 47 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.77 1p0r n TRP 47 CO 0.00 0.00 0.00 0.98 -0.03 0.00 0.00 177.69 178.64 1p0r n TYR 48 N 0.00 0.00 -4.09 -5.99 9.36 -1.26 -5.00 117.16 110.17 1p0r n TYR 48 Ca 0.00 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.05 1p0r n TYR 48 Cb 0.00 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 38.56 1p0r n TYR 48 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1p0r s THR 49 N 0.00 0.37 -0.39 2.97 2.01 -1.23 -5.10 115.64 114.26 1p0r s THR 49 Ca 0.00 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.61 1p0r s THR 49 Cb 0.00 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 1p0r s THR 49 CO 0.00 0.15 1.70 -0.51 -0.69 0.00 0.00 174.62 175.27 1p0r s ILE 50 N 0.47 3.58 -0.72 1.82 1.10 -1.26 -4.41 121.20 121.78 1p0r s ILE 50 Ca -0.05 0.56 -0.25 0.00 -0.51 0.00 0.00 60.65 60.40 1p0r s ILE 50 Cb -0.09 -3.85 0.05 0.00 0.15 0.00 0.00 42.46 38.72 1p0r s ILE 50 CO -0.00 -0.59 1.17 -0.36 -2.11 0.00 0.00 174.94 173.04 1p0r s PHE 51 N 6.78 2.43 -0.06 3.50 0.40 -1.26 -4.99 117.98 124.78 1p0r s PHE 51 Ca 0.73 -0.25 -0.09 0.00 -0.60 0.00 0.00 56.93 56.72 1p0r s PHE 51 Cb -0.19 -4.51 -0.05 0.00 0.51 0.00 0.00 43.02 38.79 1p0r s PHE 51 CO 0.31 -1.92 0.23 -1.59 0.70 0.00 0.00 175.22 172.96 1p0r s LYS 52 N 5.09 3.59 0.41 0.44 -2.85 -1.26 -4.95 119.74 120.22 1p0r s LYS 52 Ca 0.30 0.01 0.15 0.00 -1.00 0.00 0.00 55.97 55.43 1p0r s LYS 52 Cb -0.11 -3.17 1.01 0.00 -2.06 0.00 0.00 37.83 33.49 1p0r s LYS 52 CO 0.13 0.73 1.90 0.22 0.10 0.00 0.00 175.35 178.43 1p0r h ASP 53 N 4.70 0.45 0.00 0.03 1.82 -1.95 -3.20 116.42 118.27 1p0r h ASP 53 Ca -0.53 0.03 -0.50 0.00 -0.39 0.00 0.00 57.03 55.64 1p0r h ASP 53 Cb 1.22 -0.06 0.02 0.00 0.68 0.00 0.00 39.33 41.19 1p0r h ASP 53 CO 0.61 0.22 3.08 1.41 -1.61 0.00 0.00 179.24 182.95 1p0r n HIS 54 N -4.50 1.81 -3.49 0.28 8.25 -1.26 -4.12 115.22 112.18 1p0r n HIS 54 Ca 0.16 -2.40 -0.05 0.00 -0.26 0.00 0.00 57.72 55.17 1p0r n HIS 54 Cb 0.54 -1.99 0.01 0.00 1.12 0.00 0.00 29.99 29.66 1p0r n HIS 54 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1p0r n VAL 55 N 4.03 0.00 -2.86 1.59 0.24 -1.21 -5.09 118.33 115.03 1p0r n VAL 55 Ca 0.58 -0.59 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 1p0r n VAL 55 Cb 0.18 0.51 0.05 0.00 -1.47 0.00 0.00 33.84 33.11 1p0r n VAL 55 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1p0r n SER 56 N -1.41 -1.53 -3.66 -1.34 7.64 -1.26 -4.36 113.62 107.70 1p0r n SER 56 Ca -0.03 -3.46 -0.24 0.00 1.01 0.00 0.00 58.87 56.14 1p0r n SER 56 Cb 0.30 1.21 0.01 0.00 -1.01 0.00 0.00 64.21 64.72 1p0r n SER 56 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1p0r n LEU 57 N 0.50 -2.88 0.00 -3.43 4.32 -1.24 -4.54 117.00 109.73 1p0r n LEU 57 Ca 0.11 -0.84 0.00 0.00 -0.02 0.00 0.00 56.01 55.26 1p0r n LEU 57 Cb 0.68 -2.13 0.00 0.00 -1.62 0.00 0.00 43.42 40.34 1p0r n LEU 57 CO 0.09 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1p0r n GLY 58 N -1.74 -0.10 0.29 -0.72 0.00 -1.26 -4.25 105.19 97.40 1p0r n GLY 58 Ca -0.18 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.90 1p0r n GLY 58 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1p0r h ASP 59 N 0.00 0.00 -0.41 1.61 3.58 -1.99 -1.20 116.42 118.01 1p0r h ASP 59 Ca 0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1p0r h ASP 59 Cb 0.00 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 40.96 1p0r h ASP 59 CO 0.00 0.01 0.05 0.00 -2.88 0.00 0.00 179.24 176.42 1p0r n TYR 60 N -3.95 1.33 -3.03 0.28 4.11 -1.26 -5.01 117.16 109.63 1p0r n TYR 60 Ca -0.03 -1.31 -0.12 0.00 -0.00 0.00 0.00 57.90 56.45 1p0r n TYR 60 Cb 0.10 -0.48 0.01 0.00 -0.00 0.00 0.00 39.34 38.97 1p0r n TYR 60 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1p0r n GLU 61 N -0.80 -2.19 -4.45 -3.48 2.13 -0.45 -5.00 120.64 106.40 1p0r n GLU 61 Ca 0.32 1.89 -0.34 0.00 0.66 0.00 0.00 57.16 59.69 1p0r n GLU 61 Cb 1.07 -3.90 -0.10 0.00 0.27 0.00 0.00 31.44 28.78 1p0r n GLU 61 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1p0r s ILE 62 N -1.79 4.04 0.18 6.31 -1.09 -1.26 -4.96 121.20 122.63 1p0r s ILE 62 Ca 0.17 -0.42 0.05 0.00 -2.23 0.00 0.00 60.65 58.22 1p0r s ILE 62 Cb -0.03 -2.71 -0.05 0.00 -1.58 0.00 0.00 42.46 38.10 1p0r s ILE 62 CO 0.66 0.55 -0.09 -1.00 -1.23 0.00 0.00 174.94 173.83 1p0r s HIS 63 N -0.90 1.45 -1.30 3.97 3.76 -1.26 -4.85 115.29 116.15 1p0r s HIS 63 Ca 0.14 -0.74 -0.17 0.00 -0.15 0.00 0.00 55.06 54.14 1p0r s HIS 63 Cb -0.11 -0.74 0.01 0.00 1.11 0.00 0.00 32.58 32.85 1p0r s HIS 63 CO 0.04 0.13 2.04 -0.40 -0.85 0.00 0.00 174.74 175.70 1p0r n ASP 64 N -0.29 3.91 0.00 1.40 5.75 -1.26 -4.08 116.55 121.97 1p0r n ASP 64 Ca -0.09 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 51.87 1p0r n ASP 64 Cb 0.61 -1.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.09 1p0r n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1p0r n GLY 65 N 4.62 0.27 3.22 6.12 0.00 -0.91 -4.54 105.19 113.96 1p0r n GLY 65 Ca 0.50 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1p0r n GLY 65 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1p0r s MET 66 N 0.00 0.97 0.05 1.61 0.23 -1.17 -5.04 119.30 115.95 1p0r s MET 66 Ca 0.00 -1.24 0.02 0.00 -1.03 0.00 0.00 55.69 53.43 1p0r s MET 66 Cb 0.00 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 33.57 1p0r s MET 66 CO 0.00 -0.31 0.10 -0.80 -2.03 0.00 0.00 175.02 171.99 1p0r s ASN 67 N -2.98 5.72 0.02 -1.18 0.01 -1.26 -2.00 114.94 113.26 1p0r s ASN 67 Ca 0.17 0.08 0.04 0.00 -0.71 0.00 0.00 52.86 52.44 1p0r s ASN 67 Cb 0.06 -1.61 -0.02 0.00 0.41 0.00 0.00 41.25 40.09 1p0r s ASN 67 CO -0.02 0.20 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.88 1p0r s LEU 68 N -2.24 2.12 0.01 0.60 1.02 -0.71 -4.74 118.68 114.73 1p0r s LEU 68 Ca 0.29 -0.36 -0.30 0.00 0.02 0.00 0.00 54.13 53.78 1p0r s LEU 68 Cb -0.12 -0.55 -0.03 0.00 0.02 0.00 0.00 46.19 45.50 1p0r s LEU 68 CO 0.21 0.06 0.99 -1.61 0.02 0.00 0.00 176.35 176.02 1p0r s GLU 69 N -0.81 4.56 -0.34 1.70 2.02 -1.01 -2.58 118.70 122.23 1p0r s GLU 69 Ca 0.02 1.44 0.02 0.00 0.02 0.00 0.00 54.97 56.46 1p0r s GLU 69 Cb -0.07 -3.45 0.10 0.00 0.10 0.00 0.00 34.13 30.82 1p0r s GLU 69 CO 0.01 -0.05 0.09 -1.17 0.02 0.00 0.00 175.26 174.15 1p0r s LEU 70 N 0.96 3.58 -0.19 1.80 0.20 -0.44 -2.15 118.68 122.45 1p0r s LEU 70 Ca 0.52 -1.99 -0.11 0.00 0.69 0.00 0.00 54.13 53.25 1p0r s LEU 70 Cb -0.22 -1.28 -0.05 0.00 -0.43 0.00 0.00 46.19 44.22 1p0r s LEU 70 CO 0.28 -0.39 0.17 -0.31 -0.29 0.00 0.00 176.35 175.82 1p0r s TYR 71 N 1.14 3.43 -0.22 5.38 2.02 -0.90 -0.91 117.35 127.30 1p0r s TYR 71 Ca 0.11 0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 57.14 1p0r s TYR 71 Cb -0.19 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.15 1p0r s TYR 71 CO -0.15 0.30 0.06 0.71 -1.57 0.00 0.00 175.55 174.91 1p0r s TYR 72 N 0.31 3.15 0.00 2.71 2.02 -1.26 -0.85 117.35 123.42 1p0r s TYR 72 Ca 0.10 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1p0r s TYR 72 Cb -0.12 -2.16 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 1p0r s TYR 72 CO -0.00 -0.12 0.00 1.04 -1.57 0.00 0.00 175.55 174.89