#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a79 n ILE 10 N 0.00 3.08 -4.48 3.15 5.41 -0.42 -4.69 119.36 121.40 1a79 n ILE 10 Ca 0.00 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.92 1a79 n ILE 10 Cb 0.00 -1.07 -0.10 0.00 -0.71 0.00 0.00 39.64 37.76 1a79 n ILE 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1a79 s THR 11 N -1.48 3.88 0.08 1.39 2.01 -1.26 -0.61 115.64 119.65 1a79 s THR 11 Ca 0.71 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1a79 s THR 11 Cb -0.46 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1a79 s THR 11 CO 0.51 0.51 -0.06 -0.83 -0.69 0.00 0.00 174.62 174.06 1a79 s GLY 12 N -1.11 0.67 -0.18 4.40 0.00 -0.07 -4.49 107.32 106.54 1a79 s GLY 12 Ca 0.15 -1.21 -0.01 0.00 0.00 0.00 0.00 44.72 43.65 1a79 s GLY 12 CO 0.05 -1.31 -0.13 1.08 0.00 0.00 0.00 173.10 172.80 1a79 s LEU 13 N -2.73 2.55 -0.32 0.66 1.43 0.99 -2.29 118.68 118.98 1a79 s LEU 13 Ca 0.07 -0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 52.41 1a79 s LEU 13 Cb 0.03 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1a79 s LEU 13 CO -0.04 0.03 1.93 -0.22 0.23 0.00 0.00 176.35 178.28 1a79 s LEU 14 N 1.13 3.47 -0.67 1.79 2.96 -0.71 -1.59 118.68 125.06 1a79 s LEU 14 Ca 0.01 1.40 0.05 0.00 -0.22 0.00 0.00 54.13 55.37 1a79 s LEU 14 Cb -0.14 -3.43 0.17 0.00 0.50 0.00 0.00 46.19 43.28 1a79 s LEU 14 CO -0.04 -1.84 0.48 -0.62 -1.32 0.00 0.00 176.35 173.00 1a79 s ASP 15 N 6.95 4.42 1.07 3.68 -1.08 0.63 -4.88 116.67 127.46 1a79 s ASP 15 Ca 0.85 -3.76 0.00 0.00 -0.52 0.00 0.00 52.55 49.12 1a79 s ASP 15 Cb -0.24 -1.49 0.00 0.00 -1.46 0.00 0.00 42.92 39.73 1a79 s ASP 15 CO 0.33 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.54 1a79 n GLY 16 N 2.08 1.30 1.31 2.66 0.00 -1.26 -2.04 105.19 109.24 1a79 n GLY 16 Ca 0.21 0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.53 1a79 n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a79 n ASP 17 N 9.41 4.08 -4.21 1.61 5.75 -1.26 -4.97 116.55 126.96 1a79 n ASP 17 Ca 0.00 -2.18 -0.12 0.00 -0.01 0.00 0.00 54.79 52.47 1a79 n ASP 17 Cb 0.00 -0.48 -0.10 0.00 -1.03 0.00 0.00 41.12 39.51 1a79 n ASP 17 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1a79 s ARG 18 N -1.34 1.17 -0.08 0.11 1.81 -0.87 -3.76 118.95 115.99 1a79 s ARG 18 Ca 0.46 -1.60 -0.01 0.00 -1.72 0.00 0.00 55.73 52.85 1a79 s ARG 18 Cb 0.26 0.17 0.03 0.00 -0.45 0.00 0.00 34.95 34.96 1a79 s ARG 18 CO 0.27 -0.34 -0.03 0.08 -0.68 0.00 0.00 175.30 174.61 1a79 s VAL 19 N -4.06 0.57 -0.05 3.52 1.01 -0.38 -0.27 120.40 120.75 1a79 s VAL 19 Ca 0.35 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1a79 s VAL 19 Cb 0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1a79 s VAL 19 CO 0.10 0.29 0.18 -0.63 0.00 0.00 0.00 175.10 175.03 1a79 s ILE 20 N 1.78 5.44 -0.04 2.22 -1.09 -0.62 -0.74 121.20 128.15 1a79 s ILE 20 Ca 0.03 0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.54 1a79 s ILE 20 Cb -0.13 -3.49 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1a79 s ILE 20 CO -0.05 0.45 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.26 1a79 s VAL 21 N -1.20 1.37 0.00 2.92 1.01 -0.64 -0.00 120.40 123.86 1a79 s VAL 21 Ca 0.22 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1a79 s VAL 21 Cb -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1a79 s VAL 21 CO 0.12 0.39 0.00 0.49 0.00 0.00 0.00 175.10 176.11 1a79 n PHE 22 N 3.07 0.00 -1.54 5.22 3.01 -1.26 -1.24 117.46 124.73 1a79 n PHE 22 Ca -0.18 0.00 -0.53 0.00 1.01 0.00 0.00 57.45 57.76 1a79 n PHE 22 Cb 0.53 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.95 1a79 n PHE 22 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1a79 n ASP 23 N -1.70 0.71 0.08 4.37 2.03 -1.26 -4.82 116.55 115.95 1a79 n ASP 23 Ca 0.00 1.14 -0.13 0.00 0.52 0.00 0.00 54.79 56.32 1a79 n ASP 23 Cb 0.29 -1.09 -0.08 0.00 -0.72 0.00 0.00 41.12 39.52 1a79 n ASP 23 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1a79 h LYS 24 N 3.28 -0.12 -0.14 -0.67 3.64 -1.95 -1.31 116.57 119.28 1a79 h LYS 24 Ca -0.45 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 58.75 1a79 h LYS 24 Cb 1.38 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1a79 h LYS 24 CO 0.69 0.00 -0.67 -0.97 -2.27 0.00 0.00 179.45 176.24 1a79 h ASN 25 N -0.22 0.65 -0.73 4.20 -0.73 -1.99 -2.29 115.58 114.47 1a79 h ASN 25 Ca -0.01 -0.39 0.08 0.00 1.87 0.00 0.00 56.30 57.85 1a79 h ASN 25 Cb 0.18 -0.19 -0.07 0.00 0.27 0.00 0.00 38.32 38.51 1a79 h ASN 25 CO 0.02 1.14 0.39 1.23 -0.37 0.00 0.00 177.43 179.84 1a79 h GLY 26 N 1.03 1.09 1.68 1.57 0.00 -1.89 0.50 103.07 107.04 1a79 h GLY 26 Ca -0.02 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1a79 h GLY 26 CO 0.12 0.11 -0.40 -2.22 0.00 0.00 0.00 176.54 174.15 1a79 h ILE 27 N 0.67 1.31 -0.44 2.60 2.04 -1.13 -2.49 117.51 120.07 1a79 h ILE 27 Ca 0.35 -1.53 -0.13 0.00 1.00 0.00 0.00 64.86 64.54 1a79 h ILE 27 Cb 0.31 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1a79 h ILE 27 CO -0.24 0.47 -0.25 -1.28 0.00 0.00 0.00 178.15 176.85 1a79 h SER 28 N 0.30 0.98 -0.05 1.72 0.87 -0.62 -0.72 113.55 116.03 1a79 h SER 28 Ca 0.03 -0.41 -0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1a79 h SER 28 Cb 0.84 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1a79 h SER 28 CO 0.07 1.18 0.02 0.11 -0.53 0.00 0.00 176.83 177.68 1a79 h LYS 29 N 0.78 0.07 -0.05 2.24 1.57 -0.85 -1.93 116.57 118.40 1a79 h LYS 29 Ca 0.09 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1a79 h LYS 29 Cb 0.83 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1a79 h LYS 29 CO 0.07 0.17 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.57 1a79 h LEU 30 N -0.04 0.14 -0.66 2.94 3.38 -1.43 -2.93 115.31 116.70 1a79 h LEU 30 Ca 0.02 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1a79 h LEU 30 Cb 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1a79 h LEU 30 CO -0.00 0.60 -0.56 0.28 0.09 0.00 0.00 178.44 178.85 1a79 h SER 31 N 0.10 0.00 -0.24 -0.43 0.02 -1.03 0.18 113.55 112.15 1a79 h SER 31 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1a79 h SER 31 Cb 0.90 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1a79 h SER 31 CO 0.07 0.56 0.08 0.00 -1.14 0.00 0.00 176.83 176.41 1a79 h ALA 32 N 1.44 0.31 -0.00 3.77 0.00 -1.16 -2.16 119.26 121.46 1a79 h ALA 32 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1a79 h ALA 32 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1a79 h ALA 32 CO 0.07 -0.07 -0.01 -2.13 0.00 0.00 0.00 179.25 177.11 1a79 n ARG 33 N -4.77 0.89 -2.72 0.00 0.00 -1.18 -4.94 116.66 103.94 1a79 n ARG 33 Ca -0.03 -0.07 -0.09 0.00 -0.00 0.00 0.00 57.85 57.65 1a79 n ARG 33 Cb 0.14 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.15 1a79 n ARG 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1a79 n HIS 34 N -0.99 -1.27 -4.26 -0.14 8.25 -0.80 -4.99 115.22 111.01 1a79 n HIS 34 Ca 0.21 0.52 -0.35 0.00 -0.26 0.00 0.00 57.72 57.84 1a79 n HIS 34 Cb 0.17 -3.65 -0.09 0.00 1.12 0.00 0.00 29.99 27.53 1a79 n HIS 34 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1a79 s TYR 35 N -3.21 3.21 0.31 4.41 2.02 -0.02 -4.86 117.35 119.22 1a79 s TYR 35 Ca 0.07 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.92 1a79 s TYR 35 Cb -0.01 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 1a79 s TYR 35 CO 0.41 0.39 0.00 0.41 -1.57 0.00 0.00 175.55 175.19 1a79 n GLY 36 N 2.51 -1.74 3.46 0.71 0.00 -1.26 -4.53 105.19 104.33 1a79 n GLY 36 Ca -0.18 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 1a79 n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a79 s ASN 37 N -6.72 4.08 -0.31 1.61 -0.87 -0.36 -4.88 114.94 107.48 1a79 s ASN 37 Ca 0.00 -0.22 -0.24 0.00 -1.57 0.00 0.00 52.86 50.83 1a79 s ASN 37 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 41.25 40.14 1a79 s ASN 37 CO 0.00 0.29 0.82 -0.69 -2.57 0.00 0.00 177.10 174.96 1a79 s VAL 38 N -0.42 4.75 -0.58 1.60 1.01 -1.26 -0.17 120.40 125.33 1a79 s VAL 38 Ca 0.05 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.28 1a79 s VAL 38 Cb -0.12 -4.19 0.15 0.00 0.00 0.00 0.00 36.38 32.22 1a79 s VAL 38 CO 0.02 -0.29 0.35 -1.61 0.00 0.00 0.00 175.10 173.57 1a79 s GLU 39 N 3.05 2.23 6.74 2.72 0.41 0.01 -4.99 118.70 128.87 1a79 s GLU 39 Ca 0.34 -2.73 0.00 0.00 -0.41 0.00 0.00 54.97 52.16 1a79 s GLU 39 Cb -0.14 -3.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.76 1a79 s GLU 39 CO 0.13 -1.15 0.00 0.41 -0.49 0.00 0.00 175.26 174.16 1a79 n GLY 40 N 3.00 1.39 1.61 -1.39 0.00 -1.26 -3.02 105.19 105.51 1a79 n GLY 40 Ca 0.08 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1a79 n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a79 n ASN 41 N 6.88 3.55 -4.06 1.61 4.13 -1.26 -4.88 115.26 121.23 1a79 n ASN 41 Ca 0.00 -2.83 -0.07 0.00 1.68 0.00 0.00 54.58 53.36 1a79 n ASN 41 Cb 0.00 -0.67 -0.10 0.00 -1.54 0.00 0.00 39.78 37.47 1a79 n ASN 41 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1a79 s PHE 42 N -1.97 0.47 -0.10 3.10 0.08 -1.17 -4.66 117.98 113.73 1a79 s PHE 42 Ca 0.33 -1.00 0.01 0.00 0.12 0.00 0.00 56.93 56.40 1a79 s PHE 42 Cb 0.27 -0.35 0.02 0.00 -0.57 0.00 0.00 43.02 42.39 1a79 s PHE 42 CO 0.07 -0.39 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.50 1a79 s LEU 43 N -2.88 1.62 -0.29 -0.37 0.20 -0.37 -0.81 118.68 115.77 1a79 s LEU 43 Ca 0.06 -0.38 -0.10 0.00 0.69 0.00 0.00 54.13 54.40 1a79 s LEU 43 Cb 0.07 -1.00 -0.02 0.00 -0.43 0.00 0.00 46.19 44.81 1a79 s LEU 43 CO -0.10 -0.01 0.15 -0.55 -0.29 0.00 0.00 176.35 175.55 1a79 s SER 44 N 1.06 5.59 0.03 3.68 0.15 0.76 -1.62 113.70 123.35 1a79 s SER 44 Ca -0.06 -0.33 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 1a79 s SER 44 Cb -0.15 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.11 1a79 s SER 44 CO -0.02 -0.13 0.15 -0.76 1.20 0.00 0.00 173.24 173.68 1a79 s LEU 45 N 1.65 4.18 0.88 3.45 1.43 0.08 -1.22 118.68 129.14 1a79 s LEU 45 Ca 0.06 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 1a79 s LEU 45 Cb -0.16 -2.63 0.14 0.00 0.03 0.00 0.00 46.19 43.56 1a79 s LEU 45 CO 0.07 0.22 1.24 -0.94 0.23 0.00 0.00 176.35 177.17 1a79 s SER 46 N -2.14 3.84 0.22 2.29 1.04 -1.26 -1.24 113.70 116.44 1a79 s SER 46 Ca 0.29 0.56 -0.02 0.00 0.48 0.00 0.00 55.95 57.26 1a79 s SER 46 Cb -0.13 -0.86 0.19 0.00 0.10 0.00 0.00 66.02 65.33 1a79 s SER 46 CO 0.21 -2.30 1.58 -0.07 0.98 0.00 0.00 173.24 173.64 1a79 h LEU 47 N -1.34 0.63 -0.56 2.42 4.07 -1.93 -1.55 115.31 117.05 1a79 h LEU 47 Ca -0.45 -0.28 -0.13 0.00 0.08 0.00 0.00 57.88 57.10 1a79 h LEU 47 Cb 1.29 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 1a79 h LEU 47 CO 0.53 0.96 -0.20 0.58 -1.08 0.00 0.00 178.44 179.23 1a79 h VAL 48 N 0.49 1.27 0.04 1.22 2.07 -1.93 -1.91 116.25 117.49 1a79 h VAL 48 Ca 0.04 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1a79 h VAL 48 Cb 0.91 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1a79 h VAL 48 CO 0.08 0.47 -0.02 -0.33 0.02 0.00 0.00 177.57 177.79 1a79 h GLU 49 N 0.82 -0.05 -0.89 1.57 5.08 -1.90 -1.95 114.58 117.26 1a79 h GLU 49 Ca 0.11 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1a79 h GLU 49 Cb 0.76 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 1a79 h GLU 49 CO 0.06 0.09 0.57 0.00 -1.00 0.00 0.00 179.01 178.73 1a79 h ALA 50 N 0.79 1.20 -0.74 3.43 0.00 -1.19 0.10 119.26 122.85 1a79 h ALA 50 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1a79 h ALA 50 Cb 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1a79 h ALA 50 CO 0.01 0.40 0.39 -0.07 0.00 0.00 0.00 179.25 179.98 1a79 h LEU 51 N 1.09 0.94 -0.50 0.00 3.38 -1.18 0.95 115.31 119.99 1a79 h LEU 51 Ca 0.37 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 1a79 h LEU 51 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1a79 h LEU 51 CO -0.14 0.78 -0.51 0.22 0.09 0.00 0.00 178.44 178.89 1a79 h TYR 52 N 1.03 0.79 -0.47 1.13 3.20 -0.68 -0.57 116.97 121.40 1a79 h TYR 52 Ca 0.26 -0.27 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 1a79 h TYR 52 Cb 0.06 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1a79 h TYR 52 CO 0.00 1.01 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.35 1a79 h LEU 53 N 0.50 0.87 -0.42 2.82 -0.00 -0.43 0.45 115.31 119.10 1a79 h LEU 53 Ca 0.02 -0.27 -0.05 0.00 -0.00 0.00 0.00 57.88 57.58 1a79 h LEU 53 Cb 1.06 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.47 1a79 h LEU 53 CO 0.10 1.00 0.07 0.40 -0.00 0.00 0.00 178.44 180.00 1a79 h ILE 54 N 0.78 1.24 -0.28 1.22 2.04 -0.68 -1.77 117.51 120.06 1a79 h ILE 54 Ca 0.13 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1a79 h ILE 54 Cb 0.63 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1a79 h ILE 54 CO 0.04 0.31 0.07 -1.13 0.00 0.00 0.00 178.15 177.44 1a79 h ASN 55 N 0.55 0.35 1.34 1.72 -0.73 -0.69 -1.35 115.58 116.77 1a79 h ASN 55 Ca 0.13 -0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.24 1a79 h ASN 55 Cb 0.38 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.88 1a79 h ASN 55 CO 0.01 0.36 -0.11 -0.07 -0.37 0.00 0.00 177.43 177.25 1a79 h LEU 56 N 0.39 0.00 0.00 0.34 3.38 -0.45 -3.47 115.31 115.51 1a79 h LEU 56 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1a79 h LEU 56 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1a79 h LEU 56 CO -0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1a79 n GLY 57 N 0.51 0.64 0.13 0.83 0.00 -0.51 -4.96 105.19 101.83 1a79 n GLY 57 Ca 0.02 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1a79 n GLY 57 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a79 n TRP 58 N -2.63 0.54 -3.83 1.61 7.02 -0.74 -4.87 117.44 114.54 1a79 n TRP 58 Ca 0.00 0.17 -0.26 0.00 -1.02 0.00 0.00 57.50 56.39 1a79 n TRP 58 Cb 0.00 -1.06 -0.03 0.00 -2.42 0.00 0.00 31.31 27.80 1a79 n TRP 58 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1a79 s LEU 59 N -7.28 4.28 -0.04 -0.99 2.96 -1.06 -1.30 118.68 115.26 1a79 s LEU 59 Ca -0.32 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1a79 s LEU 59 Cb 0.09 -3.02 0.03 0.00 0.50 0.00 0.00 46.19 43.79 1a79 s LEU 59 CO 0.60 -0.00 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.92 1a79 s GLU 60 N -3.33 0.50 -0.16 1.98 2.12 0.22 -4.30 118.70 115.73 1a79 s GLU 60 Ca 0.36 0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.74 1a79 s GLU 60 Cb -0.11 -0.65 0.01 0.00 0.26 0.00 0.00 34.13 33.64 1a79 s GLU 60 CO 0.29 -0.14 -0.21 0.08 -0.54 0.00 0.00 175.26 174.74 1a79 s VAL 61 N 1.12 2.12 0.12 3.70 1.01 -1.26 -0.89 120.40 126.31 1a79 s VAL 61 Ca -0.08 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.02 1a79 s VAL 61 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1a79 s VAL 61 CO -0.01 0.54 -0.06 -1.59 0.00 0.00 0.00 175.10 173.97 1a79 s LYS 62 N 0.98 2.25 0.00 2.72 -2.85 -0.97 0.23 119.74 122.09 1a79 s LYS 62 Ca -0.03 -1.01 0.00 0.00 -1.00 0.00 0.00 55.97 53.93 1a79 s LYS 62 Cb -0.15 -2.35 0.00 0.00 -2.06 0.00 0.00 37.83 33.27 1a79 s LYS 62 CO -0.05 0.50 0.00 0.98 0.10 0.00 0.00 175.35 176.88 1a79 n TYR 63 N 0.52 0.00 0.00 1.78 9.36 -1.26 -1.74 117.16 125.82 1a79 n TYR 63 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1a79 n TYR 63 Cb 0.53 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.24 1a79 n TYR 63 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1a79 n LYS 64 N -1.35 0.00 -0.31 2.98 4.76 -1.26 -4.81 118.16 118.16 1a79 n LYS 64 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1a79 n LYS 64 Cb 0.00 -0.21 0.07 0.00 -1.84 0.00 0.00 35.03 33.05 1a79 n LYS 64 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1a79 n ASP 65 N -0.96 -1.22 -0.01 4.39 8.00 -1.26 -4.90 116.55 120.59 1a79 n ASP 65 Ca 0.00 -0.72 0.14 0.00 0.71 0.00 0.00 54.79 54.92 1a79 n ASP 65 Cb 0.00 -0.28 0.62 0.00 -0.02 0.00 0.00 41.12 41.44 1a79 n ASP 65 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1a79 n ASN 66 N -3.50 0.08 -4.63 -2.24 4.05 -1.26 -4.71 115.26 103.05 1a79 n ASN 66 Ca 0.04 0.21 -0.43 0.00 0.45 0.00 0.00 54.58 54.85 1a79 n ASN 66 Cb 0.16 -0.35 -0.02 0.00 1.23 0.00 0.00 39.78 40.80 1a79 n ASN 66 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 177.26 172.62 1a79 s LYS 67 N -2.87 3.91 0.52 1.20 0.00 -1.26 -4.99 119.74 116.25 1a79 s LYS 67 Ca 0.18 1.16 -0.21 0.00 0.00 0.00 0.00 55.97 57.10 1a79 s LYS 67 Cb 0.19 -3.87 -0.06 0.00 0.00 0.00 0.00 37.83 34.09 1a79 s LYS 67 CO 0.53 -1.13 1.19 -2.14 0.00 0.00 0.00 175.35 173.79 1a79 s PRO 68 N 4.16 3.43 0.62 1.78 0.02 -1.26 -4.51 135.00 139.24 1a79 s PRO 68 Ca 0.54 1.79 -0.16 0.00 0.02 0.00 0.00 61.00 63.20 1a79 s PRO 68 Cb -0.15 -2.19 -0.02 0.00 0.02 0.00 0.00 34.50 32.15 1a79 s PRO 68 CO 0.23 -0.83 1.09 -0.51 -0.33 0.00 0.00 177.00 176.66 1a79 s LEU 69 N -3.48 3.49 0.48 -5.54 1.43 0.61 -4.91 118.68 110.75 1a79 s LEU 69 Ca 0.70 1.97 -0.02 0.00 -1.03 0.00 0.00 54.13 55.75 1a79 s LEU 69 Cb -0.29 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.37 1a79 s LEU 69 CO 0.34 -1.40 0.73 -0.94 0.23 0.00 0.00 176.35 175.30 1a79 s SER 70 N -2.50 5.87 0.23 2.29 1.04 -1.26 -4.55 113.70 114.82 1a79 s SER 70 Ca 0.67 0.48 -0.08 0.00 0.48 0.00 0.00 55.95 57.50 1a79 s SER 70 Cb -0.20 -1.70 0.37 0.00 0.10 0.00 0.00 66.02 64.59 1a79 s SER 70 CO 0.37 -0.73 1.70 0.15 0.98 0.00 0.00 173.24 175.70 1a79 h PHE 71 N 0.28 0.24 -0.52 5.02 3.04 -1.96 0.23 116.94 123.26 1a79 h PHE 71 Ca -0.46 0.04 0.01 0.00 3.98 0.00 0.00 57.97 61.54 1a79 h PHE 71 Cb 1.24 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.72 1a79 h PHE 71 CO 0.48 -0.05 0.34 1.49 -2.02 0.00 0.00 178.31 178.55 1a79 h GLU 72 N 0.27 0.67 -0.13 1.11 4.81 -1.98 0.14 114.58 119.47 1a79 h GLU 72 Ca 0.36 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1a79 h GLU 72 Cb 0.57 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1a79 h GLU 72 CO -0.45 0.44 0.08 0.93 -0.73 0.00 0.00 179.01 179.28 1a79 h GLU 73 N 0.69 0.17 -0.13 1.92 5.08 -1.24 0.21 114.58 121.28 1a79 h GLU 73 Ca 0.20 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1a79 h GLU 73 Cb -0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1a79 h GLU 73 CO -0.06 0.14 -0.23 1.25 -1.00 0.00 0.00 179.01 179.11 1a79 h LEU 74 N 0.16 0.22 -0.05 1.33 5.85 -0.45 -2.06 115.31 120.30 1a79 h LEU 74 Ca 0.05 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1a79 h LEU 74 Cb 0.01 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1a79 h LEU 74 CO -0.01 0.46 -0.02 0.22 -0.34 0.00 0.00 178.44 178.75 1a79 h TYR 75 N 0.20 0.13 -0.98 1.25 5.03 -0.11 0.13 116.97 122.63 1a79 h TYR 75 Ca 0.03 -0.03 0.12 0.00 2.58 0.00 0.00 58.73 61.43 1a79 h TYR 75 Cb 0.52 -0.03 -0.08 0.00 1.55 0.00 0.00 36.73 38.69 1a79 h TYR 75 CO 0.01 0.48 0.62 0.93 -1.32 0.00 0.00 178.16 178.88 1a79 h GLU 76 N -0.26 0.93 -0.09 1.82 3.07 -0.39 0.85 114.58 120.51 1a79 h GLU 76 Ca 0.01 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.69 1a79 h GLU 76 Cb 0.44 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1a79 h GLU 76 CO 0.01 0.61 -0.46 -0.92 -1.40 0.00 0.00 179.01 176.86 1a79 h TYR 77 N 0.96 0.63 -0.41 4.33 3.20 -1.27 -3.34 116.97 121.08 1a79 h TYR 77 Ca 0.48 -0.28 -0.13 0.00 3.14 0.00 0.00 58.73 61.94 1a79 h TYR 77 Cb 0.49 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1a79 h TYR 77 CO -0.00 1.05 -0.25 0.00 -1.64 0.00 0.00 178.16 177.31 1a79 h ALA 78 N 0.46 0.77 -0.12 1.82 0.00 -0.41 -3.00 119.26 118.77 1a79 h ALA 78 Ca -0.03 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1a79 h ALA 78 Cb 1.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1a79 h ALA 78 CO 0.09 0.66 0.13 0.07 0.00 0.00 0.00 179.25 180.20 1a79 h ARG 79 N 0.74 0.00 -0.64 0.00 0.11 -0.96 0.42 114.38 114.05 1a79 h ARG 79 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1a79 h ARG 79 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 1a79 h ARG 79 CO 0.07 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.23 1a79 n ASN 80 N -3.86 3.59 0.00 0.08 4.13 -1.13 -4.41 115.26 113.66 1a79 n ASN 80 Ca 0.00 -2.09 0.00 0.00 1.68 0.00 0.00 54.58 54.17 1a79 n ASN 80 Cb 0.24 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 1a79 n ASN 80 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1a79 n VAL 81 N 1.26 0.00 -2.91 2.41 0.31 0.58 -5.08 118.33 114.92 1a79 n VAL 81 Ca 0.22 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.30 1a79 n VAL 81 Cb 0.60 -1.16 0.01 0.00 -0.91 0.00 0.00 33.84 32.37 1a79 n VAL 81 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1a79 s GLU 82 N -2.00 3.28 0.04 5.55 2.12 0.12 -5.10 118.70 122.70 1a79 s GLU 82 Ca 0.00 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.16 1a79 s GLU 82 Cb 0.00 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 1a79 s GLU 82 CO 0.00 -0.21 0.00 -2.00 -0.54 0.00 0.00 175.26 172.52 1a79 s GLU 83 N -4.60 2.69 -1.11 4.30 -6.30 -1.26 -4.51 118.70 107.91 1a79 s GLU 83 Ca 0.47 -0.71 -0.03 0.00 -2.50 0.00 0.00 54.97 52.20 1a79 s GLU 83 Cb -0.10 -2.62 0.02 0.00 0.00 0.00 0.00 34.13 31.43 1a79 s GLU 83 CO 0.40 0.59 0.17 0.54 0.02 0.00 0.00 175.26 176.98 1a79 n ARG 84 N 1.01 -2.72 -0.24 4.30 1.74 -1.26 -4.84 116.66 114.66 1a79 n ARG 84 Ca -0.13 0.56 0.04 0.00 -0.77 0.00 0.00 57.85 57.55 1a79 n ARG 84 Cb 0.52 -5.20 0.14 0.00 -1.02 0.00 0.00 32.46 26.91 1a79 n ARG 84 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1a79 h LEU 85 N -0.34 -0.23 -0.91 0.55 5.85 -1.92 -0.57 115.31 117.73 1a79 h LEU 85 Ca -0.33 0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 1a79 h LEU 85 Cb 1.24 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1a79 h LEU 85 CO 0.40 -0.12 -0.24 0.00 -0.34 0.00 0.00 178.44 178.13 1a79 h LEU 87 N 0.46 -0.16 -0.88 0.00 5.85 -1.56 -1.36 115.31 117.66 1a79 h LEU 87 Ca 0.07 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 1a79 h LEU 87 Cb 0.67 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1a79 h LEU 87 CO 0.05 0.15 -0.10 0.11 -0.34 0.00 0.00 178.44 178.31 1a79 h LYS 88 N -0.47 0.72 0.11 1.25 1.79 -1.12 -3.08 116.57 115.76 1a79 h LYS 88 Ca -0.02 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 1a79 h LYS 88 Cb 0.37 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1a79 h LYS 88 CO 0.03 0.80 -0.05 -0.92 -1.08 0.00 0.00 179.45 178.23 1a79 h TYR 89 N 0.66 -0.14 -0.46 -1.35 3.20 -0.77 -0.70 116.97 117.40 1a79 h TYR 89 Ca 0.12 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1a79 h TYR 89 Cb 0.55 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 1a79 h TYR 89 CO 0.03 0.21 0.17 -0.07 -1.64 0.00 0.00 178.16 176.85 1a79 h LEU 90 N -0.50 0.18 -0.24 2.82 3.38 -1.29 -0.99 115.31 118.67 1a79 h LEU 90 Ca -0.02 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1a79 h LEU 90 Cb 0.41 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1a79 h LEU 90 CO 0.02 0.14 -0.08 0.58 0.09 0.00 0.00 178.44 179.20 1a79 h VAL 91 N 0.35 1.29 -0.26 1.22 2.07 -1.58 -2.15 116.25 117.19 1a79 h VAL 91 Ca 0.22 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.68 1a79 h VAL 91 Cb 0.21 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1a79 h VAL 91 CO -0.21 0.34 -0.04 0.22 0.02 0.00 0.00 177.57 177.90 1a79 h TYR 92 N 0.21 -0.08 -0.93 1.57 5.03 -0.91 -0.12 116.97 121.74 1a79 h TYR 92 Ca 0.06 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.45 1a79 h TYR 92 Cb 0.55 0.08 -0.06 0.00 1.55 0.00 0.00 36.73 38.84 1a79 h TYR 92 CO 0.05 -0.08 0.59 -0.22 -1.32 0.00 0.00 178.16 177.19 1a79 h LYS 93 N 0.03 1.06 0.18 1.82 3.64 -1.14 -0.36 116.57 121.80 1a79 h LYS 93 Ca 0.12 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1a79 h LYS 93 Cb 0.18 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1a79 h LYS 93 CO -0.24 0.70 -0.08 0.22 -2.27 0.00 0.00 179.45 177.78 1a79 h ASP 94 N 1.10 -0.20 -0.71 4.20 3.58 -0.59 -0.72 116.42 123.08 1a79 h ASP 94 Ca 0.40 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.74 1a79 h ASP 94 Cb 0.14 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1a79 h ASP 94 CO -0.16 -0.06 0.30 -0.07 -2.88 0.00 0.00 179.24 176.37 1a79 h LEU 95 N -0.33 0.97 -0.75 2.28 3.38 -0.72 0.22 115.31 120.36 1a79 h LEU 95 Ca -0.02 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1a79 h LEU 95 Cb 0.26 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1a79 h LEU 95 CO 0.04 0.87 0.49 -0.09 0.09 0.00 0.00 178.44 179.83 1a79 h ARG 96 N 1.01 0.95 -0.13 1.13 9.65 -1.00 -0.90 114.38 125.09 1a79 h ARG 96 Ca 0.24 -0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 58.99 1a79 h ARG 96 Cb 0.19 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1a79 h ARG 96 CO -0.02 0.63 -0.23 1.15 2.80 0.00 0.00 179.97 184.30 1a79 h THR 97 N 0.98 1.22 0.00 0.20 2.02 -0.19 -1.77 112.91 115.37 1a79 h THR 97 Ca 0.28 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1a79 h THR 97 Cb -0.07 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1a79 h THR 97 CO -0.08 0.31 0.00 0.54 0.37 0.00 0.00 175.52 176.66 1a79 n ARG 98 N -4.19 0.90 -0.42 6.66 1.74 0.68 -4.85 116.66 117.18 1a79 n ARG 98 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1a79 n ARG 98 Cb 0.34 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1a79 n ARG 98 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a79 n GLY 99 N 0.68 0.76 3.90 -0.13 0.00 -0.66 -5.04 105.19 104.69 1a79 n GLY 99 Ca 0.15 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1a79 n GLY 99 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a79 s TYR 100 N -2.00 3.47 -0.45 1.61 2.02 -0.54 -4.58 117.35 116.88 1a79 s TYR 100 Ca 0.00 0.71 -0.16 0.00 -0.37 0.00 0.00 57.07 57.25 1a79 s TYR 100 Cb 0.00 -2.15 0.05 0.00 -0.40 0.00 0.00 41.96 39.46 1a79 s TYR 100 CO 0.00 0.19 0.38 0.42 -1.57 0.00 0.00 175.55 174.97 1a79 s ILE 101 N -2.03 5.21 -0.19 2.71 1.01 -1.26 -4.37 121.20 122.29 1a79 s ILE 101 Ca 0.45 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 1a79 s ILE 101 Cb -0.11 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1a79 s ILE 101 CO 0.28 -0.49 0.33 -0.69 0.00 0.00 0.00 174.94 174.38 1a79 s VAL 102 N 1.75 5.26 0.14 2.92 1.01 -1.26 -3.30 120.40 126.92 1a79 s VAL 102 Ca 0.06 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.68 1a79 s VAL 102 Cb -0.22 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1a79 s VAL 102 CO 0.09 0.32 -0.11 -0.54 0.00 0.00 0.00 175.10 174.85 1a79 s LYS 103 N 0.92 1.05 0.61 2.72 -0.14 -0.72 -4.98 119.74 119.21 1a79 s LYS 103 Ca 0.17 -1.39 -0.18 0.00 -1.36 0.00 0.00 55.97 53.22 1a79 s LYS 103 Cb -0.14 -0.71 -0.06 0.00 -1.68 0.00 0.00 37.83 35.24 1a79 s LYS 103 CO 0.06 0.10 0.68 -2.37 -0.76 0.00 0.00 175.35 173.06 1a79 n THR 104 N 0.02 2.70 -0.03 2.17 5.66 -1.26 0.06 114.28 123.59 1a79 n THR 104 Ca -0.12 -0.48 0.03 0.00 -3.05 0.00 0.00 64.05 60.44 1a79 n THR 104 Cb 0.60 -0.85 0.08 0.00 -1.55 0.00 0.00 70.33 68.60 1a79 n THR 104 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1a79 n GLY 105 N 1.59 2.14 0.34 1.09 0.00 -0.85 -3.82 105.19 105.68 1a79 n GLY 105 Ca 0.12 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1a79 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a79 h LEU 106 N 1.19 -0.84 -1.96 0.99 6.46 -1.69 0.30 115.31 119.76 1a79 h LEU 106 Ca 0.00 0.28 0.25 0.00 -0.12 0.00 0.00 57.88 58.29 1a79 h LEU 106 Cb 0.56 0.57 -0.03 0.00 -0.73 0.00 0.00 40.66 41.03 1a79 h LEU 106 CO 0.00 -0.31 0.67 0.50 -0.62 0.00 0.00 178.44 178.68 1a79 h LYS 107 N 0.00 0.00 -0.18 1.25 3.64 -1.87 0.41 116.57 119.83 1a79 h LYS 107 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1a79 h LYS 107 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1a79 h LYS 107 CO -0.96 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 176.88 1a79 n TYR 108 N -4.11 0.23 -0.34 1.91 4.01 0.97 -4.95 117.16 114.87 1a79 n TYR 108 Ca 0.18 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1a79 n TYR 108 Cb 0.98 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 1a79 n TYR 108 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a79 n GLY 109 N 0.62 1.54 3.91 2.72 0.00 0.13 -5.00 105.19 109.10 1a79 n GLY 109 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1a79 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a79 s ALA 110 N -3.06 3.19 -0.05 4.61 0.00 -0.70 -4.89 121.76 120.86 1a79 s ALA 110 Ca 0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.14 1a79 s ALA 110 Cb 0.00 -2.74 -0.22 0.00 0.00 0.00 0.00 23.12 20.17 1a79 s ALA 110 CO 0.00 -0.87 1.11 -0.44 0.00 0.00 0.00 175.76 175.56 1a79 h ASP 111 N -0.29 0.10 -4.20 0.00 3.32 -0.37 -2.74 116.42 112.24 1a79 h ASP 111 Ca -0.45 -0.67 -0.41 0.00 0.02 0.00 0.00 57.03 55.52 1a79 h ASP 111 Cb 1.25 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.63 1a79 h ASP 111 CO 0.62 0.75 -0.59 -0.36 -1.72 0.00 0.00 179.24 177.94 1a79 s PHE 112 N -3.55 1.65 -0.06 4.55 0.08 -0.69 -2.00 117.98 117.97 1a79 s PHE 112 Ca -0.16 -1.21 -0.03 0.00 0.12 0.00 0.00 56.93 55.65 1a79 s PHE 112 Cb 0.01 -0.98 0.04 0.00 -0.57 0.00 0.00 43.02 41.51 1a79 s PHE 112 CO 0.70 -0.33 0.14 -0.98 -0.10 0.00 0.00 175.22 174.65 1a79 s ARG 113 N -3.91 0.09 0.21 0.44 1.70 0.11 -0.58 118.95 117.00 1a79 s ARG 113 Ca 0.35 0.34 0.11 0.00 -0.47 0.00 0.00 55.73 56.07 1a79 s ARG 113 Cb 0.07 -0.16 -0.05 0.00 -0.57 0.00 0.00 34.95 34.24 1a79 s ARG 113 CO 0.15 -0.15 -0.23 -0.51 -1.08 0.00 0.00 175.30 173.48 1a79 s LEU 114 N 1.07 2.46 0.08 -1.89 1.43 0.85 -1.75 118.68 120.94 1a79 s LEU 114 Ca -0.08 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.14 1a79 s LEU 114 Cb -0.11 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1a79 s LEU 114 CO -0.05 0.09 0.15 -0.31 0.23 0.00 0.00 176.35 176.46 1a79 s TYR 115 N -1.86 3.34 0.79 0.29 1.51 -1.21 0.62 117.35 120.83 1a79 s TYR 115 Ca 0.22 0.14 -0.15 0.00 -1.01 0.00 0.00 57.07 56.27 1a79 s TYR 115 Cb -0.07 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.08 1a79 s TYR 115 CO 0.11 0.55 0.46 -1.91 -1.11 0.00 0.00 175.55 173.64 1a79 n GLU 116 N 0.25 0.14 -2.31 -0.62 4.07 -1.26 -4.40 120.64 116.51 1a79 n GLU 116 Ca -0.07 0.09 -0.41 0.00 -0.06 0.00 0.00 57.16 56.71 1a79 n GLU 116 Cb 0.52 -1.81 -0.03 0.00 -0.06 0.00 0.00 31.44 30.06 1a79 n GLU 116 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1a79 s ARG 117 N -2.96 4.46 0.00 5.31 0.52 -1.26 -2.11 118.95 122.92 1a79 s ARG 117 Ca 0.62 1.96 0.00 0.00 -0.52 0.00 0.00 55.73 57.80 1a79 s ARG 117 Cb -0.31 -3.20 0.00 0.00 0.52 0.00 0.00 34.95 31.96 1a79 s ARG 117 CO 0.61 -0.12 0.00 0.41 0.02 0.00 0.00 175.30 176.22 1a79 n GLY 118 N 1.99 0.54 3.77 -3.53 0.00 -1.26 -4.99 105.19 101.70 1a79 n GLY 118 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1a79 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a79 s ALA 119 N -2.33 3.29 -0.75 4.61 0.00 -0.89 -4.95 121.76 120.74 1a79 s ALA 119 Ca 0.00 1.08 -0.22 0.00 0.00 0.00 0.00 51.96 52.82 1a79 s ALA 119 Cb 0.00 -3.42 0.07 0.00 0.00 0.00 0.00 23.12 19.78 1a79 s ALA 119 CO 0.00 -0.57 1.08 1.21 0.00 0.00 0.00 175.76 177.47 1a79 s ASN 120 N -0.86 6.28 0.60 0.00 2.47 -1.26 -4.85 114.94 117.31 1a79 s ASN 120 Ca 0.53 -1.15 0.25 0.00 0.42 0.00 0.00 52.86 52.91 1a79 s ASN 120 Cb -0.35 -2.45 1.35 0.00 -1.45 0.00 0.00 41.25 38.36 1a79 s ASN 120 CO 0.44 -1.43 1.74 0.40 -3.72 0.00 0.00 177.10 174.53 1a79 h ILE 121 N 6.02 0.00 0.57 -5.21 1.08 -1.93 -0.02 117.51 118.02 1a79 h ILE 121 Ca -0.17 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 1a79 h ILE 121 Cb 1.05 0.55 0.01 0.00 -3.07 0.00 0.00 36.82 35.36 1a79 h ILE 121 CO 1.20 0.00 -0.27 0.44 -0.69 0.00 0.00 178.15 178.83 1a79 h ASP 122 N 0.00 -0.64 0.04 1.72 5.19 -2.02 -3.35 116.42 117.36 1a79 h ASP 122 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1a79 h ASP 122 Cb 0.74 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1a79 h ASP 122 CO 0.00 -0.33 -1.66 0.29 -3.12 0.00 0.00 179.24 174.42 1a79 n LYS 123 N -5.35 0.46 -3.59 3.56 4.76 -0.85 -4.99 118.16 112.16 1a79 n LYS 123 Ca -0.12 -0.13 -0.30 0.00 -2.87 0.00 0.00 58.31 54.89 1a79 n LYS 123 Cb 0.34 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 1a79 n LYS 123 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1a79 s GLU 124 N -3.36 3.62 0.51 1.97 2.02 -0.08 -5.08 118.70 118.30 1a79 s GLU 124 Ca -0.03 -0.08 0.09 0.00 0.02 0.00 0.00 54.97 54.97 1a79 s GLU 124 Cb 0.14 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.64 1a79 s GLU 124 CO 0.89 0.39 0.67 -1.01 0.02 0.00 0.00 175.26 176.22 1a79 s HIS 125 N -1.79 2.02 0.44 1.61 3.76 -1.26 -4.67 115.29 115.39 1a79 s HIS 125 Ca 0.42 -0.59 -0.22 0.00 -0.15 0.00 0.00 55.06 54.51 1a79 s HIS 125 Cb -0.12 -2.26 -0.09 0.00 1.11 0.00 0.00 32.58 31.23 1a79 s HIS 125 CO 0.26 -0.79 1.04 -1.54 -0.85 0.00 0.00 174.74 172.86 1a79 s SER 126 N -4.50 6.60 -0.14 1.40 1.04 -1.26 -4.68 113.70 112.15 1a79 s SER 126 Ca 0.57 1.97 0.01 0.00 0.48 0.00 0.00 55.95 58.98 1a79 s SER 126 Cb -0.07 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.39 1a79 s SER 126 CO 0.35 -0.60 -0.13 0.55 0.98 0.00 0.00 173.24 174.39 1a79 n VAL 127 N -0.49 0.82 -4.22 5.02 3.14 0.20 -4.95 118.33 117.86 1a79 n VAL 127 Ca 0.07 -0.31 -0.34 0.00 -2.96 0.00 0.00 64.34 60.80 1a79 n VAL 127 Cb 0.51 -1.04 -0.08 0.00 -1.06 0.00 0.00 33.84 32.17 1a79 n VAL 127 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 1a79 s TYR 128 N -2.28 3.22 -0.19 1.45 1.51 -0.92 -1.14 117.35 118.99 1a79 s TYR 128 Ca -0.19 0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 56.04 1a79 s TYR 128 Cb 0.05 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1a79 s TYR 128 CO 0.33 0.52 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.73 1a79 s LEU 129 N -1.31 3.01 -0.11 -1.29 1.43 -0.22 -0.10 118.68 120.09 1a79 s LEU 129 Ca 0.18 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1a79 s LEU 129 Cb -0.12 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1a79 s LEU 129 CO 0.08 0.05 -0.11 -0.69 0.23 0.00 0.00 176.35 175.91 1a79 s VAL 130 N 1.05 3.31 -0.14 -1.59 1.01 0.25 -0.52 120.40 123.79 1a79 s VAL 130 Ca 0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1a79 s VAL 130 Cb -0.15 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1a79 s VAL 130 CO 0.00 0.54 -0.10 -0.75 0.00 0.00 0.00 175.10 174.80 1a79 s LYS 131 N -0.02 1.81 0.10 2.72 2.36 -0.95 0.34 119.74 126.10 1a79 s LYS 131 Ca -0.02 -0.42 -0.16 0.00 -2.55 0.00 0.00 55.97 52.82 1a79 s LYS 131 Cb -0.14 -1.86 -0.07 0.00 -1.05 0.00 0.00 37.83 34.71 1a79 s LYS 131 CO 0.04 -0.29 0.54 0.14 1.55 0.00 0.00 175.35 177.33 1a79 s VAL 132 N 1.61 4.84 -0.00 4.02 -7.23 -1.26 -2.08 120.40 120.29 1a79 s VAL 132 Ca 0.04 0.96 0.00 0.00 -1.81 0.00 0.00 61.98 61.18 1a79 s VAL 132 Cb -0.13 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.02 1a79 s VAL 132 CO -0.09 0.39 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.72 1a79 s PHE 133 N -1.30 0.12 0.09 2.82 0.08 -0.11 -4.96 117.98 114.71 1a79 s PHE 133 Ca 0.33 -0.02 -0.23 0.00 0.12 0.00 0.00 56.93 57.14 1a79 s PHE 133 Cb -0.17 -0.09 -0.07 0.00 -0.57 0.00 0.00 43.02 42.13 1a79 s PHE 133 CO 0.18 -0.01 0.68 -1.25 -0.10 0.00 0.00 175.22 174.73 1a79 s PRO 134 N 0.02 4.41 0.22 0.24 0.04 -1.26 -1.07 135.00 137.59 1a79 s PRO 134 Ca 0.00 0.95 -0.08 0.00 0.04 0.00 0.00 61.00 61.91 1a79 s PRO 134 Cb -0.01 -3.29 0.32 0.00 0.04 0.00 0.00 34.50 31.56 1a79 s PRO 134 CO -0.00 0.50 1.77 1.49 0.04 0.00 0.00 177.00 180.80 1a79 h GLU 135 N 4.86 0.52 -0.23 4.56 4.81 -1.67 -2.97 114.58 124.46 1a79 h GLU 135 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1a79 h GLU 135 Cb 1.21 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1a79 h GLU 135 CO 0.67 0.35 0.00 -0.25 -0.73 0.00 0.00 179.01 179.04 1a79 n ASP 136 N -4.90 0.51 -4.17 1.04 8.00 -1.26 -4.77 116.55 111.00 1a79 n ASP 136 Ca 0.10 -2.01 -0.33 0.00 0.71 0.00 0.00 54.79 53.26 1a79 n ASP 136 Cb 0.27 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 41.09 1a79 n ASP 136 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1a79 s SER 137 N -0.82 3.37 0.49 -2.24 0.01 -1.12 -5.11 113.70 108.27 1a79 s SER 137 Ca 0.04 -0.59 -0.16 0.00 1.31 0.00 0.00 55.95 56.55 1a79 s SER 137 Cb 0.02 -1.53 -0.08 0.00 0.21 0.00 0.00 66.02 64.65 1a79 s SER 137 CO 0.02 0.01 0.96 -0.94 0.41 0.00 0.00 173.24 173.70 1a79 s SER 138 N 1.22 6.64 0.30 2.44 1.04 -1.26 -4.84 113.70 119.22 1a79 s SER 138 Ca 0.03 1.53 -0.16 0.00 0.48 0.00 0.00 55.95 57.82 1a79 s SER 138 Cb -0.14 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 63.51 1a79 s SER 138 CO -0.09 -0.55 0.64 0.72 0.98 0.00 0.00 173.24 174.95 1a79 s PHE 139 N -2.56 0.14 0.17 5.02 -0.71 -1.26 -5.14 117.98 113.65 1a79 s PHE 139 Ca 0.58 -0.60 -0.30 0.00 -1.04 0.00 0.00 56.93 55.57 1a79 s PHE 139 Cb -0.10 0.51 -0.08 0.00 -1.21 0.00 0.00 43.02 42.14 1a79 s PHE 139 CO 0.30 -1.22 1.31 -0.51 -1.34 0.00 0.00 175.22 173.75 1a79 s LEU 140 N -3.01 4.41 0.53 -1.99 1.43 -1.26 -4.89 118.68 113.90 1a79 s LEU 140 Ca 0.17 2.33 0.21 0.00 -1.03 0.00 0.00 54.13 55.81 1a79 s LEU 140 Cb -0.04 -3.60 1.42 0.00 0.03 0.00 0.00 46.19 44.00 1a79 s LEU 140 CO 0.10 -0.53 2.16 0.25 0.23 0.00 0.00 176.35 178.55 1a79 h LEU 141 N 5.79 0.00 -2.36 1.79 5.85 -2.02 -0.28 115.31 124.09 1a79 h LEU 141 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1a79 h LEU 141 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1a79 h LEU 141 CO 0.79 0.03 0.00 0.77 -0.34 0.00 0.00 178.44 179.69 1a79 h SER 142 N 0.00 0.00 -0.56 1.25 4.64 -1.99 -1.02 113.55 115.88 1a79 h SER 142 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1a79 h SER 142 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1a79 h SER 142 CO 0.00 0.00 0.19 -0.08 -0.87 0.00 0.00 176.83 176.07 1a79 h GLU 143 N 0.00 0.85 0.12 4.77 4.81 -1.42 -0.80 114.58 122.92 1a79 h GLU 143 Ca 0.00 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1a79 h GLU 143 Cb 0.18 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1a79 h GLU 143 CO 0.00 0.77 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.92 1a79 h LEU 144 N 0.77 -0.14 -1.94 1.64 3.38 -1.34 -3.03 115.31 114.66 1a79 h LEU 144 Ca 0.18 -0.41 0.10 0.00 0.09 0.00 0.00 57.88 57.84 1a79 h LEU 144 Cb 0.26 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1a79 h LEU 144 CO -0.01 0.41 0.27 0.71 0.09 0.00 0.00 178.44 179.91 1a79 h THR 145 N -0.76 0.84 -0.40 0.22 1.35 -1.46 -0.35 112.91 112.35 1a79 h THR 145 Ca -0.02 -0.02 -0.07 0.00 -0.55 0.00 0.00 66.41 65.75 1a79 h THR 145 Cb 0.54 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1a79 h THR 145 CO 0.03 0.01 -0.01 1.23 -0.25 0.00 0.00 175.52 176.53 1a79 h GLY 146 N 0.07 0.76 1.64 5.82 0.00 -1.14 -2.15 103.07 108.07 1a79 h GLY 146 Ca 0.18 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1a79 h GLY 146 CO -0.01 0.52 -0.24 0.74 0.00 0.00 0.00 176.54 177.55 1a79 h PHE 147 N 0.53 0.47 -0.40 5.60 0.04 -0.98 -1.52 116.94 120.67 1a79 h PHE 147 Ca 0.11 -0.09 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1a79 h PHE 147 Cb 0.49 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1a79 h PHE 147 CO 0.04 0.63 0.01 0.28 -0.60 0.00 0.00 178.31 178.67 1a79 h VAL 148 N 0.38 1.22 -0.19 -0.55 2.07 -1.04 0.31 116.25 118.45 1a79 h VAL 148 Ca 0.06 -0.87 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 1a79 h VAL 148 Cb 0.62 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1a79 h VAL 148 CO 0.04 0.30 -0.34 -0.09 0.02 0.00 0.00 177.57 177.51 1a79 h ARG 149 N 0.60 0.57 -0.05 1.57 2.43 -0.72 -1.89 114.38 116.89 1a79 h ARG 149 Ca 0.13 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1a79 h ARG 149 Cb 0.37 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1a79 h ARG 149 CO 0.01 0.97 0.01 0.28 -1.51 0.00 0.00 179.97 179.73 1a79 h VAL 150 N 0.24 1.19 -0.12 0.20 2.07 -1.09 0.15 116.25 118.89 1a79 h VAL 150 Ca 0.01 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1a79 h VAL 150 Cb 0.93 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1a79 h VAL 150 CO 0.08 0.16 -0.30 0.00 0.02 0.00 0.00 177.57 177.53 1a79 h ALA 151 N 0.79 -0.33 -0.86 1.67 0.00 -0.99 -1.84 119.26 117.69 1a79 h ALA 151 Ca 0.02 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1a79 h ALA 151 Cb 0.24 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1a79 h ALA 151 CO 0.00 -0.77 0.54 1.25 0.00 0.00 0.00 179.25 180.27 1a79 h HIS 152 N -0.38 1.00 -0.34 0.00 -0.00 -1.19 0.46 115.15 114.70 1a79 h HIS 152 Ca 0.10 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1a79 h HIS 152 Cb 0.52 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.59 1a79 h HIS 152 CO -0.38 0.52 0.23 0.66 -0.00 0.00 0.00 177.93 178.95 1a79 h SER 153 N 1.00 0.39 -0.75 3.26 4.64 0.08 -2.08 113.55 120.09 1a79 h SER 153 Ca 0.37 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 61.38 1a79 h SER 153 Cb 0.14 -0.10 -0.18 0.00 -0.31 0.00 0.00 62.40 61.95 1a79 h SER 153 CO -0.16 0.29 0.34 1.33 -0.87 0.00 0.00 176.83 177.75 1a79 n VAL 154 N -4.48 2.95 -4.05 0.95 0.24 -0.69 -4.93 118.33 108.31 1a79 n VAL 154 Ca 0.02 -1.89 -0.27 0.00 -2.04 0.00 0.00 64.34 60.16 1a79 n VAL 154 Cb 0.06 -0.38 -0.04 0.00 -1.47 0.00 0.00 33.84 32.01 1a79 n VAL 154 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1a79 n ARG 155 N -0.62 -2.87 -4.18 7.34 5.12 -0.78 -4.96 116.66 115.70 1a79 n ARG 155 Ca 0.45 0.35 -0.16 0.00 -1.93 0.00 0.00 57.85 56.56 1a79 n ARG 155 Cb 1.42 -4.42 -0.11 0.00 -1.16 0.00 0.00 32.46 28.18 1a79 n ARG 155 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1a79 s LYS 156 N -6.74 0.85 0.01 5.56 1.02 0.07 -4.99 119.74 115.52 1a79 s LYS 156 Ca 0.08 -1.08 -0.15 0.00 0.02 0.00 0.00 55.97 54.84 1a79 s LYS 156 Cb -0.04 -0.67 -0.06 0.00 -0.52 0.00 0.00 37.83 36.53 1a79 s LYS 156 CO 0.91 0.13 0.43 0.15 -0.92 0.00 0.00 175.35 176.05 1a79 s LYS 157 N -2.36 3.94 0.05 1.68 1.02 -0.30 -3.56 119.74 120.21 1a79 s LYS 157 Ca 0.03 0.44 -0.20 0.00 0.02 0.00 0.00 55.97 56.27 1a79 s LYS 157 Cb -0.06 -3.21 -0.06 0.00 -0.52 0.00 0.00 37.83 33.98 1a79 s LYS 157 CO 0.01 0.68 0.57 -1.17 -0.92 0.00 0.00 175.35 174.52 1a79 s LEU 158 N -1.13 4.49 -0.17 3.17 2.96 -1.26 -1.05 118.68 125.69 1a79 s LEU 158 Ca 0.25 1.22 -0.00 0.00 -0.22 0.00 0.00 54.13 55.38 1a79 s LEU 158 Cb -0.17 -2.89 0.04 0.00 0.50 0.00 0.00 46.19 43.67 1a79 s LEU 158 CO 0.14 0.22 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.10 1a79 s LEU 159 N -0.81 1.78 -0.39 -0.68 2.96 0.32 -3.87 118.68 117.99 1a79 s LEU 159 Ca 0.29 -0.68 -0.19 0.00 -0.22 0.00 0.00 54.13 53.34 1a79 s LEU 159 Cb -0.19 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.48 1a79 s LEU 159 CO 0.18 -0.15 0.57 -0.63 -1.32 0.00 0.00 176.35 175.00 1a79 s ILE 160 N 1.56 4.94 -0.39 6.68 1.01 0.72 -2.24 121.20 133.47 1a79 s ILE 160 Ca 0.01 0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.76 1a79 s ILE 160 Cb -0.15 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1a79 s ILE 160 CO -0.08 -0.38 0.27 0.00 0.00 0.00 0.00 174.94 174.75 1a79 s ALA 161 N 2.56 3.43 -0.15 9.38 0.00 -0.88 -0.87 121.76 135.22 1a79 s ALA 161 Ca 0.20 -1.66 -0.08 0.00 0.00 0.00 0.00 51.96 50.42 1a79 s ALA 161 Cb -0.15 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1a79 s ALA 161 CO 0.15 -1.36 0.13 0.42 0.00 0.00 0.00 175.76 175.10 1a79 s ILE 162 N 1.66 5.38 -0.41 0.00 1.01 0.72 -0.94 121.20 128.62 1a79 s ILE 162 Ca 0.04 0.17 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 1a79 s ILE 162 Cb -0.19 -3.38 0.04 0.00 0.01 0.00 0.00 42.46 38.94 1a79 s ILE 162 CO 0.09 0.55 0.27 -0.69 0.00 0.00 0.00 174.94 175.16 1a79 s VAL 163 N -0.47 4.83 0.88 2.92 1.01 -0.24 -0.39 120.40 128.95 1a79 s VAL 163 Ca 0.12 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1a79 s VAL 163 Cb -0.12 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.62 1a79 s VAL 163 CO 0.02 -0.36 1.16 1.51 0.00 0.00 0.00 175.10 177.43 1a79 s ASP 164 N 1.85 3.81 0.46 3.32 1.47 0.40 -1.77 116.67 126.20 1a79 s ASP 164 Ca 0.03 0.86 0.24 0.00 1.18 0.00 0.00 52.55 54.86 1a79 s ASP 164 Cb -0.21 -1.37 1.31 0.00 -0.34 0.00 0.00 42.92 42.31 1a79 s ASP 164 CO 0.07 -2.35 1.70 0.00 0.68 0.00 0.00 175.17 175.27 1a79 h ALA 165 N -1.36 1.15 -0.17 2.11 0.00 -1.96 0.28 119.26 119.30 1a79 h ALA 165 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1a79 h ALA 165 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1a79 h ALA 165 CO 0.62 -0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.47 1a79 n ASP 166 N -2.46 2.15 0.00 0.00 8.00 -1.26 -4.91 116.55 118.07 1a79 n ASP 166 Ca -0.02 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.72 1a79 n ASP 166 Cb 0.22 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1a79 n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a79 n GLY 167 N 1.24 0.78 3.89 0.44 0.00 0.10 -5.03 105.19 106.62 1a79 n GLY 167 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1a79 n GLY 167 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a79 s ASP 168 N -2.58 6.51 -0.18 1.61 1.01 -1.25 -4.82 116.67 116.96 1a79 s ASP 168 Ca 0.00 0.76 -0.09 0.00 0.71 0.00 0.00 52.55 53.94 1a79 s ASP 168 Cb 0.00 -2.16 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 1a79 s ASP 168 CO 0.00 -0.12 0.10 -0.63 0.21 0.00 0.00 175.17 174.73 1a79 s ILE 169 N -1.94 5.14 -0.10 0.77 1.09 -1.26 -0.45 121.20 124.45 1a79 s ILE 169 Ca 0.45 0.09 0.04 0.00 -1.10 0.00 0.00 60.65 60.12 1a79 s ILE 169 Cb -0.11 -3.32 0.00 0.00 -1.06 0.00 0.00 42.46 37.97 1a79 s ILE 169 CO 0.26 0.46 -0.24 -0.69 -0.10 0.00 0.00 174.94 174.64 1a79 s VAL 170 N 0.24 2.05 -0.03 2.92 1.01 0.48 -4.94 120.40 122.13 1a79 s VAL 170 Ca 0.07 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1a79 s VAL 170 Cb -0.12 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1a79 s VAL 170 CO -0.01 0.56 -0.07 -0.31 0.00 0.00 0.00 175.10 175.27 1a79 s TYR 171 N 0.37 2.90 0.02 5.22 2.02 -1.26 -0.20 117.35 126.41 1a79 s TYR 171 Ca -0.18 -0.02 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 1a79 s TYR 171 Cb -0.18 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 1a79 s TYR 171 CO 0.08 0.35 -0.07 0.71 -1.57 0.00 0.00 175.55 175.05 1a79 s TYR 172 N -0.91 0.63 -0.14 2.71 2.02 -0.05 -4.97 117.35 116.63 1a79 s TYR 172 Ca 0.15 -0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1a79 s TYR 172 Cb -0.11 -0.39 -0.03 0.00 -0.40 0.00 0.00 41.96 41.03 1a79 s TYR 172 CO 0.05 -0.03 -0.03 1.21 -1.57 0.00 0.00 175.55 175.18 1a79 s ASN 173 N -0.72 4.92 -0.07 2.29 3.04 -1.26 -0.20 114.94 122.93 1a79 s ASN 173 Ca -0.02 -0.06 0.03 0.00 0.04 0.00 0.00 52.86 52.86 1a79 s ASN 173 Cb -0.05 -1.68 0.00 0.00 -1.54 0.00 0.00 41.25 37.98 1a79 s ASN 173 CO 0.00 0.22 -0.17 -0.32 -3.04 0.00 0.00 177.10 173.79 1a79 s MET 174 N 0.04 2.10 0.17 0.43 -2.45 -1.25 -5.02 119.30 113.32 1a79 s MET 174 Ca 0.01 -0.61 -0.03 0.00 -1.25 0.00 0.00 55.69 53.81 1a79 s MET 174 Cb -0.13 -1.71 -0.03 0.00 1.25 0.00 0.00 34.83 34.21 1a79 s MET 174 CO 0.02 0.15 0.14 0.95 1.05 0.00 0.00 175.02 177.33 1a79 s THR 175 N 0.36 0.05 0.52 10.11 -4.23 -1.26 -4.57 115.64 116.61 1a79 s THR 175 Ca -0.12 -1.86 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 1a79 s THR 175 Cb -0.15 -2.23 -0.07 0.00 1.34 0.00 0.00 72.50 71.39 1a79 s THR 175 CO 0.05 -0.21 1.03 -0.31 -0.54 0.00 0.00 174.62 174.63 1a79 s TYR 176 N -4.09 3.07 -0.00 3.99 2.02 -1.26 -5.07 117.35 116.02 1a79 s TYR 176 Ca 0.30 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.44 1a79 s TYR 176 Cb 0.06 -3.00 0.01 0.00 -0.40 0.00 0.00 41.96 38.63 1a79 s TYR 176 CO 0.07 -0.81 0.20 0.08 -1.57 0.00 0.00 175.55 173.52 1a79 s VAL 177 N -2.22 0.08 -0.40 0.71 1.01 -1.26 -5.12 120.40 113.20 1a79 s VAL 177 Ca 0.65 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1a79 s VAL 177 Cb -0.15 -0.52 0.11 0.00 0.00 0.00 0.00 36.38 35.82 1a79 s VAL 177 CO 0.26 -0.35 0.13 -0.75 0.00 0.00 0.00 175.10 174.39 1a79 s LYS 178 N -1.44 1.51 0.00 2.72 2.20 -1.26 -5.36 119.74 118.11 1a79 s LYS 178 Ca -0.14 -2.00 0.01 0.00 -0.36 0.00 0.00 55.97 53.47 1a79 s LYS 178 Cb -0.06 -3.02 0.04 0.00 -1.51 0.00 0.00 37.83 33.27 1a79 s LYS 178 CO 0.02 -1.01 0.53 -0.35 -0.36 0.00 0.00 175.35 174.18