#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 0.34 -4.44 3.15 5.41 -0.59 -4.70 119.36 118.53 1a79 n ILE 10 Ca 0.00 -0.08 -0.34 0.00 1.00 0.00 0.00 62.75 63.33 1a79 n ILE 10 Cb 0.00 -1.59 -0.10 0.00 -0.71 0.00 0.00 39.64 37.24 1a79 n ILE 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1a79 s THR 11 N 0.60 4.02 0.31 1.39 -1.32 -1.26 -0.16 115.64 119.22 1a79 s THR 11 Ca 0.74 -0.46 0.08 0.00 -1.21 0.00 0.00 61.69 60.84 1a79 s THR 11 Cb -0.64 -2.71 -0.06 0.00 -1.51 0.00 0.00 72.50 67.58 1a79 s THR 11 CO 0.41 0.52 -0.07 -0.83 -2.21 0.00 0.00 174.62 172.45 1a79 s GLY 12 N -1.09 2.00 -0.30 6.08 0.00 0.26 -4.60 107.32 109.67 1a79 s GLY 12 Ca 0.15 -1.99 -0.02 0.00 0.00 0.00 0.00 44.72 42.86 1a79 s GLY 12 CO 0.05 -1.92 0.00 1.08 0.00 0.00 0.00 173.10 172.31 1a79 s LEU 13 N -3.52 3.93 -0.02 0.66 2.01 0.16 -1.19 118.68 120.71 1a79 s LEU 13 Ca 0.31 -1.30 -0.30 0.00 0.01 0.00 0.00 54.13 52.86 1a79 s LEU 13 Cb 0.03 -1.71 -0.06 0.00 0.01 0.00 0.00 46.19 44.46 1a79 s LEU 13 CO 0.14 -0.27 1.67 -0.22 1.01 0.00 0.00 176.35 178.69 1a79 s LEU 14 N 1.25 4.34 -0.31 1.79 2.96 0.23 -1.15 118.68 127.79 1a79 s LEU 14 Ca -0.05 2.32 -0.02 0.00 -0.22 0.00 0.00 54.13 56.16 1a79 s LEU 14 Cb -0.20 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.06 1a79 s LEU 14 CO -0.01 -0.92 0.13 -0.62 -1.32 0.00 0.00 176.35 173.61 1a79 s ASP 15 N 3.22 3.63 1.96 3.68 -1.08 0.03 -4.76 116.67 123.35 1a79 s ASP 15 Ca 0.75 -1.58 0.00 0.00 -0.52 0.00 0.00 52.55 51.20 1a79 s ASP 15 Cb -0.35 -0.55 0.00 0.00 -1.46 0.00 0.00 42.92 40.55 1a79 s ASP 15 CO 0.31 -0.41 0.00 0.61 0.52 0.00 0.00 175.17 176.20 1a79 n GLY 16 N 4.89 2.15 1.01 2.66 0.00 -1.26 -1.99 105.19 112.65 1a79 n GLY 16 Ca -0.02 0.31 0.11 0.00 0.00 0.00 0.00 46.02 46.42 1a79 n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a79 n ASP 17 N 11.11 2.97 -4.03 1.61 9.92 -1.26 -4.96 116.55 131.91 1a79 n ASP 17 Ca 0.00 -1.94 -0.10 0.00 -0.53 0.00 0.00 54.79 52.22 1a79 n ASP 17 Cb 0.00 -0.28 -0.08 0.00 -0.64 0.00 0.00 41.12 40.12 1a79 n ASP 17 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1a79 s ARG 18 N -1.43 1.10 -0.13 -1.24 0.52 -0.84 -3.62 118.95 113.30 1a79 s ARG 18 Ca 0.38 -1.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.33 1a79 s ARG 18 Cb 0.21 0.33 0.00 0.00 0.52 0.00 0.00 34.95 36.01 1a79 s ARG 18 CO 0.28 -0.38 -0.20 0.08 0.02 0.00 0.00 175.30 175.10 1a79 s VAL 19 N -4.00 2.28 -0.16 3.52 1.01 -0.06 -0.79 120.40 122.20 1a79 s VAL 19 Ca 0.21 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1a79 s VAL 19 Cb 0.05 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1a79 s VAL 19 CO 0.01 0.54 0.29 -0.63 0.00 0.00 0.00 175.10 175.32 1a79 s ILE 20 N 0.62 5.30 -0.19 2.22 -1.09 -0.30 -0.04 121.20 127.72 1a79 s ILE 20 Ca -0.11 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1a79 s ILE 20 Cb -0.16 -3.63 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1a79 s ILE 20 CO 0.03 0.40 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.27 1a79 s VAL 21 N 0.41 2.32 -0.20 2.92 1.01 0.16 0.37 120.40 127.40 1a79 s VAL 21 Ca 0.17 -0.85 0.16 0.00 0.00 0.00 0.00 61.98 61.46 1a79 s VAL 21 Cb -0.13 -1.99 -0.24 0.00 0.00 0.00 0.00 36.38 34.02 1a79 s VAL 21 CO 0.04 0.52 0.05 0.49 0.00 0.00 0.00 175.10 176.19 1a79 n PHE 22 N 4.63 0.00 -1.42 5.22 3.72 -1.26 -0.41 117.46 127.94 1a79 n PHE 22 Ca -0.20 0.00 -0.53 0.00 -0.05 0.00 0.00 57.45 56.67 1a79 n PHE 22 Cb 0.50 -0.97 -0.08 0.00 -0.94 0.00 0.00 39.48 38.00 1a79 n PHE 22 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1a79 n ASP 23 N -2.76 1.91 -0.29 4.37 2.03 -1.26 -4.79 116.55 115.75 1a79 n ASP 23 Ca -0.33 0.49 0.25 0.00 0.52 0.00 0.00 54.79 55.72 1a79 n ASP 23 Cb 1.13 -1.19 0.58 0.00 -0.72 0.00 0.00 41.12 40.91 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 11.55 0.27 -0.01 -0.67 1.63 -1.97 -0.93 116.57 126.44 1a79 h LYS 24 Ca -0.25 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 1a79 h LYS 24 Cb 1.34 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1a79 h LYS 24 CO 1.03 0.18 -0.08 -0.91 -3.45 0.00 0.00 179.45 176.22 1a79 h ASN 25 N 0.28 0.08 -0.74 4.20 -0.26 -2.00 -2.81 115.58 114.33 1a79 h ASN 25 Ca 0.55 -0.72 0.13 0.00 -0.56 0.00 0.00 56.30 55.70 1a79 h ASN 25 Cb 1.61 -0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 38.80 1a79 h ASN 25 CO -0.19 0.79 0.49 1.23 -1.06 0.00 0.00 177.43 178.69 1a79 h GLY 26 N -0.62 0.74 2.00 2.83 0.00 -1.73 0.42 103.07 106.70 1a79 h GLY 26 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1a79 h GLY 26 CO 0.02 0.08 -0.19 -2.22 0.00 0.00 0.00 176.54 174.22 1a79 h ILE 27 N 0.46 1.06 0.09 2.60 2.04 -1.10 -0.87 117.51 121.78 1a79 h ILE 27 Ca 0.36 -0.68 -0.14 0.00 1.00 0.00 0.00 64.86 65.39 1a79 h ILE 27 Cb 0.75 1.38 0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1a79 h ILE 27 CO -0.12 0.19 -0.65 0.28 0.00 0.00 0.00 178.15 177.85 1a79 h SER 28 N 0.00 0.29 0.28 1.72 0.02 0.02 -2.64 113.55 113.24 1a79 h SER 28 Ca -0.00 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1a79 h SER 28 Cb 0.36 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1a79 h SER 28 CO 0.03 1.30 -0.29 0.11 -1.14 0.00 0.00 176.83 176.83 1a79 h LYS 29 N -0.59 -0.59 -0.30 3.45 6.56 -0.95 0.12 116.57 124.27 1a79 h LYS 29 Ca -0.13 0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 1a79 h LYS 29 Cb 1.44 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 33.22 1a79 h LYS 29 CO 0.08 -0.39 0.15 -0.07 -2.06 0.00 0.00 179.45 177.16 1a79 h LEU 30 N -0.61 0.39 -1.43 2.94 3.38 -1.32 -2.62 115.31 116.04 1a79 h LEU 30 Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1a79 h LEU 30 Cb 0.57 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1a79 h LEU 30 CO -0.07 0.39 0.25 -1.28 0.09 0.00 0.00 178.44 177.82 1a79 h SER 31 N 0.36 0.57 -0.16 -0.43 0.87 -1.35 0.73 113.55 114.14 1a79 h SER 31 Ca 0.11 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1a79 h SER 31 Cb 0.10 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1a79 h SER 31 CO -0.01 0.46 -0.05 0.00 -0.53 0.00 0.00 176.83 176.70 1a79 h ALA 32 N 1.63 0.09 -0.25 6.23 0.00 -0.38 -1.46 119.26 125.12 1a79 h ALA 32 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a79 h ALA 32 Cb 0.03 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1a79 h ALA 32 CO -0.03 -0.49 0.00 0.54 0.00 0.00 0.00 179.25 179.27 1a79 n ARG 33 N -5.19 2.26 -1.77 0.00 5.12 -1.01 -4.91 116.66 111.16 1a79 n ARG 33 Ca -0.03 -1.18 -0.13 0.00 -1.93 0.00 0.00 57.85 54.57 1a79 n ARG 33 Cb 0.12 -1.61 -0.03 0.00 -1.16 0.00 0.00 32.46 29.77 1a79 n ARG 33 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1a79 n HIS 34 N 0.29 -0.28 -3.40 -1.55 8.25 -0.55 -5.01 115.22 112.96 1a79 n HIS 34 Ca 0.11 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.19 1a79 n HIS 34 Cb 0.50 -2.60 -0.06 0.00 1.12 0.00 0.00 29.99 28.95 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 -2.56 3.72 0.19 4.41 2.02 0.20 -4.98 117.35 120.34 1a79 s TYR 35 Ca 0.00 1.08 0.00 0.00 -0.37 0.00 0.00 57.07 57.78 1a79 s TYR 35 Cb 0.00 -2.36 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 1a79 s TYR 35 CO 0.00 0.57 0.00 0.41 -1.57 0.00 0.00 175.55 174.96 1a79 n GLY 36 N 1.48 -2.01 3.10 0.71 0.00 -1.26 -4.01 105.19 103.20 1a79 n GLY 36 Ca -0.10 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 1a79 n GLY 36 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a79 s ASN 37 N -5.10 2.93 -0.62 1.61 2.47 0.59 -4.93 114.94 111.89 1a79 s ASN 37 Ca 0.00 -0.57 -0.24 0.00 0.42 0.00 0.00 52.86 52.47 1a79 s ASN 37 Cb 0.00 -1.35 0.05 0.00 -1.45 0.00 0.00 41.25 38.50 1a79 s ASN 37 CO 0.00 0.01 1.02 -0.69 -3.72 0.00 0.00 177.10 173.72 1a79 s VAL 38 N 1.15 4.24 0.26 -5.21 1.01 -1.26 -0.55 120.40 120.04 1a79 s VAL 38 Ca -0.00 0.14 0.12 0.00 0.00 0.00 0.00 61.98 62.23 1a79 s VAL 38 Cb -0.14 -4.66 0.01 0.00 0.00 0.00 0.00 36.38 31.59 1a79 s VAL 38 CO -0.08 -1.35 1.64 -0.08 0.00 0.00 0.00 175.10 175.23 1a79 h GLU 39 N 9.52 0.00 0.00 2.72 4.22 -0.67 -3.48 114.58 126.89 1a79 h GLU 39 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.17 1a79 h GLU 39 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1a79 h GLU 39 CO 1.15 0.57 0.00 0.41 -2.18 0.00 0.00 179.01 178.96 1a79 n GLY 40 N 0.20 2.69 0.06 1.92 0.00 -1.26 -4.78 105.19 104.02 1a79 n GLY 40 Ca -0.01 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 0.38 -3.61 1.61 4.13 -1.26 -4.88 115.26 111.63 1a79 n ASN 41 Ca 0.00 0.56 -0.01 0.00 1.68 0.00 0.00 54.58 56.82 1a79 n ASN 41 Cb 0.00 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 37.59 1a79 n ASN 41 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1a79 s PHE 42 N -3.11 -0.02 -0.05 3.10 -0.12 -1.26 -4.81 117.98 111.70 1a79 s PHE 42 Ca 0.09 -0.23 0.05 0.00 -0.05 0.00 0.00 56.93 56.79 1a79 s PHE 42 Cb 0.12 0.62 -0.01 0.00 -0.63 0.00 0.00 43.02 43.12 1a79 s PHE 42 CO 0.43 -0.61 -0.22 -1.17 -0.05 0.00 0.00 175.22 173.60 1a79 s LEU 43 N -3.23 2.01 -0.03 -1.99 0.20 0.46 0.15 118.68 116.25 1a79 s LEU 43 Ca 0.18 -0.46 0.06 0.00 0.69 0.00 0.00 54.13 54.61 1a79 s LEU 43 Cb 0.00 -1.23 -0.02 0.00 -0.43 0.00 0.00 46.19 44.51 1a79 s LEU 43 CO 0.01 0.21 -0.22 -0.94 -0.29 0.00 0.00 176.35 175.12 1a79 s SER 44 N -0.06 3.37 0.25 3.68 1.04 0.29 0.37 113.70 122.64 1a79 s SER 44 Ca -0.04 -0.38 0.09 0.00 0.48 0.00 0.00 55.95 56.09 1a79 s SER 44 Cb -0.13 -0.53 -0.04 0.00 0.10 0.00 0.00 66.02 65.42 1a79 s SER 44 CO 0.03 0.32 0.01 -0.76 0.98 0.00 0.00 173.24 173.83 1a79 s LEU 45 N -0.63 3.26 0.65 2.42 1.43 0.94 -0.30 118.68 126.45 1a79 s LEU 45 Ca 0.10 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1a79 s LEU 45 Cb -0.10 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.34 1a79 s LEU 45 CO -0.00 0.02 0.98 -0.94 0.23 0.00 0.00 176.35 176.64 1a79 s SER 46 N -3.54 5.29 0.28 2.29 1.04 -1.26 -0.88 113.70 116.92 1a79 s SER 46 Ca 0.31 0.73 -0.02 0.00 0.48 0.00 0.00 55.95 57.44 1a79 s SER 46 Cb -0.07 -1.56 0.40 0.00 0.10 0.00 0.00 66.02 64.89 1a79 s SER 46 CO 0.20 -1.31 1.86 -0.07 0.98 0.00 0.00 173.24 174.90 1a79 h LEU 47 N -0.43 0.84 -0.64 2.42 4.07 -1.93 -0.31 115.31 119.32 1a79 h LEU 47 Ca -0.45 -0.11 -0.14 0.00 0.08 0.00 0.00 57.88 57.26 1a79 h LEU 47 Cb 1.28 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1a79 h LEU 47 CO 0.61 0.75 -0.40 0.58 -1.08 0.00 0.00 178.44 178.90 1a79 h VAL 48 N 0.90 1.30 -0.34 1.22 2.07 -1.93 -0.69 116.25 118.78 1a79 h VAL 48 Ca 0.21 -1.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.07 1a79 h VAL 48 Cb 0.18 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1a79 h VAL 48 CO -0.02 0.50 -0.12 -0.33 0.02 0.00 0.00 177.57 177.62 1a79 h GLU 49 N 0.50 0.68 -0.21 1.57 5.08 -1.83 -2.47 114.58 117.90 1a79 h GLU 49 Ca 0.04 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1a79 h GLU 49 Cb 0.92 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1a79 h GLU 49 CO 0.08 0.87 0.13 0.00 -1.00 0.00 0.00 179.01 179.08 1a79 h ALA 50 N 0.80 0.27 -0.79 3.43 0.00 -0.88 -0.66 119.26 121.43 1a79 h ALA 50 Ca 0.08 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1a79 h ALA 50 Cb 0.64 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1a79 h ALA 50 CO 0.04 -0.22 0.46 -0.07 0.00 0.00 0.00 179.25 179.46 1a79 h LEU 51 N 0.26 0.68 -0.17 0.00 4.07 -1.12 0.20 115.31 119.23 1a79 h LEU 51 Ca 0.08 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 1a79 h LEU 51 Cb 0.02 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1a79 h LEU 51 CO -0.01 0.41 0.04 0.22 -1.08 0.00 0.00 178.44 178.02 1a79 h TYR 52 N 0.81 0.29 -0.06 1.13 3.20 -1.05 -1.48 116.97 119.81 1a79 h TYR 52 Ca 0.37 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 62.12 1a79 h TYR 52 Cb 0.27 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1a79 h TYR 52 CO -0.06 0.42 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.47 1a79 h LEU 53 N 0.07 0.12 -0.21 2.82 3.38 -0.74 0.35 115.31 121.10 1a79 h LEU 53 Ca 0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1a79 h LEU 53 Cb 0.28 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1a79 h LEU 53 CO 0.00 0.46 0.02 0.40 0.09 0.00 0.00 178.44 179.41 1a79 h ILE 54 N 0.10 1.24 -0.30 1.22 2.04 -0.83 -0.43 117.51 120.55 1a79 h ILE 54 Ca 0.01 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.12 1a79 h ILE 54 Cb 0.65 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1a79 h ILE 54 CO 0.05 0.25 0.21 -1.13 0.00 0.00 0.00 178.15 177.52 1a79 h ASN 55 N 0.14 0.16 1.01 1.72 -1.24 -0.60 0.21 115.58 116.99 1a79 h ASN 55 Ca 0.06 -0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.94 1a79 h ASN 55 Cb 0.35 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1a79 h ASN 55 CO 0.01 0.11 -0.62 -0.07 -1.29 0.00 0.00 177.43 175.56 1a79 h LEU 56 N 0.18 0.00 0.00 0.34 3.38 -0.52 -3.47 115.31 115.23 1a79 h LEU 56 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1a79 h LEU 56 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1a79 h LEU 56 CO -0.02 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.74 1a79 n GLY 57 N 0.78 0.83 0.10 0.83 0.00 0.75 -4.96 105.19 103.51 1a79 n GLY 57 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1a79 n GLY 57 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1a79 h TRP 58 N 0.00 0.36 -2.86 1.61 4.06 -1.31 -3.48 115.95 114.33 1a79 h TRP 58 Ca 0.00 -0.26 -0.61 0.00 2.06 0.00 0.00 58.89 60.08 1a79 h TRP 58 Cb 0.00 -0.01 -0.13 0.00 -1.00 0.00 0.00 29.16 28.02 1a79 h TRP 58 CO 0.00 1.24 -0.69 -1.17 -3.56 0.00 0.00 178.44 174.26 1a79 s LEU 59 N -6.96 3.11 -0.06 -4.49 2.96 -0.92 -1.55 118.68 110.78 1a79 s LEU 59 Ca -0.04 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1a79 s LEU 59 Cb 0.08 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 45.03 1a79 s LEU 59 CO 0.86 0.09 -0.04 -0.70 -1.32 0.00 0.00 176.35 175.23 1a79 s GLU 60 N -2.97 0.92 -0.14 1.98 2.12 0.77 -4.41 118.70 116.98 1a79 s GLU 60 Ca 0.26 -0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.52 1a79 s GLU 60 Cb -0.09 -0.98 0.01 0.00 0.26 0.00 0.00 34.13 33.33 1a79 s GLU 60 CO 0.17 -0.13 -0.21 0.08 -0.54 0.00 0.00 175.26 174.62 1a79 s VAL 61 N 1.18 2.00 0.03 3.70 1.01 -1.26 0.89 120.40 127.96 1a79 s VAL 61 Ca -0.07 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1a79 s VAL 61 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1a79 s VAL 61 CO -0.01 0.54 0.02 -0.54 0.00 0.00 0.00 175.10 175.10 1a79 s LYS 62 N 0.89 2.77 0.00 2.72 1.02 -0.33 0.36 119.74 127.16 1a79 s LYS 62 Ca -0.06 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1a79 s LYS 62 Cb -0.15 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 1a79 s LYS 62 CO -0.03 0.60 0.00 0.98 -0.92 0.00 0.00 175.35 175.98 1a79 n TYR 63 N 1.06 0.00 -0.06 3.18 9.36 -1.26 -0.60 117.16 128.84 1a79 n TYR 63 Ca -0.13 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.04 1a79 n TYR 63 Cb 0.52 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.13 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 -2.34 1.66 0.00 2.98 4.76 -1.26 -4.69 118.16 119.26 1a79 n LYS 64 Ca 0.00 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1a79 n LYS 64 Cb 0.00 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1a79 n LYS 64 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1a79 n ASP 65 N -2.44 0.00 -0.01 4.39 5.68 -1.26 -5.10 116.55 117.81 1a79 n ASP 65 Ca -0.20 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.07 1a79 n ASP 65 Cb 0.87 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.84 1a79 n ASP 65 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1a79 n ASN 66 N 0.00 1.57 -4.23 -1.12 5.15 -1.26 -4.95 115.26 110.42 1a79 n ASN 66 Ca 0.00 0.01 -0.60 0.00 -0.60 0.00 0.00 54.58 53.40 1a79 n ASN 66 Cb 0.00 -0.06 -0.12 0.00 -0.53 0.00 0.00 39.78 39.07 1a79 n ASN 66 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1a79 n LYS 67 N -2.90 0.00 -1.51 1.20 4.81 -1.26 -4.72 118.16 113.79 1a79 n LYS 67 Ca -0.05 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.03 1a79 n LYS 67 Cb 0.54 -1.49 0.08 0.00 0.02 0.00 0.00 35.03 34.19 1a79 n LYS 67 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1a79 n PRO 68 N 7.30 0.76 -3.06 1.64 -0.02 -1.26 -4.61 135.00 135.76 1a79 n PRO 68 Ca 0.54 0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 1a79 n PRO 68 Cb -0.04 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 30.98 1a79 n PRO 68 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1a79 s LEU 69 N -4.09 4.42 0.97 2.45 1.43 0.16 -4.97 118.68 119.04 1a79 s LEU 69 Ca 0.78 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.09 1a79 s LEU 69 Cb -0.36 -3.12 0.17 0.00 0.03 0.00 0.00 46.19 42.91 1a79 s LEU 69 CO 0.45 0.02 1.09 -0.94 0.23 0.00 0.00 176.35 177.20 1a79 s SER 70 N 0.02 2.74 0.15 2.29 1.04 -1.26 -4.57 113.70 114.11 1a79 s SER 70 Ca 0.36 1.63 -0.18 0.00 0.48 0.00 0.00 55.95 58.25 1a79 s SER 70 Cb -0.19 -2.28 0.05 0.00 0.10 0.00 0.00 66.02 63.69 1a79 s SER 70 CO 0.21 -3.12 1.70 0.15 0.98 0.00 0.00 173.24 173.16 1a79 h PHE 71 N -1.88 -0.05 -0.02 5.02 3.04 -1.97 0.87 116.94 121.95 1a79 h PHE 71 Ca -0.51 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.43 1a79 h PHE 71 Cb 1.29 0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.87 1a79 h PHE 71 CO 0.40 -0.08 -0.12 0.93 -2.02 0.00 0.00 178.31 177.42 1a79 h GLU 72 N 0.07 0.03 0.26 1.11 3.07 -1.96 1.01 114.58 118.16 1a79 h GLU 72 Ca 0.15 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1a79 h GLU 72 Cb 0.21 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1a79 h GLU 72 CO -0.27 0.16 -0.12 0.93 -1.40 0.00 0.00 179.01 178.30 1a79 h GLU 73 N 0.03 -0.34 -0.79 2.33 5.08 -1.56 -0.63 114.58 118.70 1a79 h GLU 73 Ca 0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1a79 h GLU 73 Cb 0.24 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1a79 h GLU 73 CO 0.02 0.00 0.50 1.25 -1.00 0.00 0.00 179.01 179.78 1a79 h LEU 74 N -0.93 0.93 -0.99 1.33 5.85 -0.55 -1.93 115.31 119.02 1a79 h LEU 74 Ca -0.04 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1a79 h LEU 74 Cb 0.50 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1a79 h LEU 74 CO 0.06 0.69 0.13 0.22 -0.34 0.00 0.00 178.44 179.20 1a79 h TYR 75 N 1.08 0.89 -0.18 1.25 5.03 0.11 -1.83 116.97 123.31 1a79 h TYR 75 Ca 0.29 -0.09 -0.15 0.00 2.58 0.00 0.00 58.73 61.36 1a79 h TYR 75 Cb -0.08 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 37.93 1a79 h TYR 75 CO 0.00 0.75 -0.53 1.49 -1.32 0.00 0.00 178.16 178.55 1a79 h GLU 76 N 0.83 0.53 -0.21 1.82 4.57 -0.43 -1.69 114.58 120.00 1a79 h GLU 76 Ca 0.18 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1a79 h GLU 76 Cb 0.31 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1a79 h GLU 76 CO -0.00 0.93 0.08 -0.92 -1.18 0.00 0.00 179.01 177.92 1a79 h TYR 77 N 0.41 0.32 -0.31 0.92 3.20 -1.08 -2.24 116.97 118.19 1a79 h TYR 77 Ca 0.01 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 1a79 h TYR 77 Cb 1.06 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 1a79 h TYR 77 CO 0.04 0.36 -0.25 0.00 -1.64 0.00 0.00 178.16 176.67 1a79 h ALA 78 N 0.93 0.97 -0.61 1.82 0.00 -1.30 -2.05 119.26 119.02 1a79 h ALA 78 Ca 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1a79 h ALA 78 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1a79 h ALA 78 CO -0.01 0.60 0.25 0.00 0.00 0.00 0.00 179.25 180.09 1a79 h ARG 79 N 0.54 0.88 0.00 0.00 3.08 -1.20 0.29 114.38 117.97 1a79 h ARG 79 Ca 0.07 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1a79 h ARG 79 Cb 0.72 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1a79 h ARG 79 CO 0.06 0.72 -0.50 -0.91 -1.07 0.00 0.00 179.97 178.26 1a79 h ASN 80 N 0.87 0.00 0.00 7.04 4.21 -0.84 -3.28 115.58 123.58 1a79 h ASN 80 Ca 0.21 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1a79 h ASN 80 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1a79 h ASN 80 CO -0.02 0.50 -1.14 1.33 -1.29 0.00 0.00 177.43 176.82 1a79 n VAL 81 N -3.73 0.00 -3.84 2.81 0.24 -0.82 -4.88 118.33 108.10 1a79 n VAL 81 Ca -0.01 -0.19 -0.28 0.00 -2.04 0.00 0.00 64.34 61.81 1a79 n VAL 81 Cb 0.55 0.71 -0.16 0.00 -1.47 0.00 0.00 33.84 33.47 1a79 n VAL 81 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1a79 s GLU 82 N -2.82 1.16 0.09 7.34 2.02 0.97 -5.05 118.70 122.41 1a79 s GLU 82 Ca 0.02 -0.61 -0.18 0.00 0.02 0.00 0.00 54.97 54.23 1a79 s GLU 82 Cb 0.12 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 1a79 s GLU 82 CO 0.72 -0.56 1.08 0.39 0.02 0.00 0.00 175.26 176.91 1a79 n GLU 83 N 4.89 -0.25 -1.70 1.61 1.02 -1.26 -2.28 120.64 122.66 1a79 n GLU 83 Ca -0.11 1.07 -0.33 0.00 -0.02 0.00 0.00 57.16 57.77 1a79 n GLU 83 Cb 0.46 -1.57 0.05 0.00 -0.02 0.00 0.00 31.44 30.36 1a79 n GLU 83 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1a79 n ARG 84 N -4.42 2.97 -0.18 3.49 1.85 -1.26 -4.75 116.66 114.36 1a79 n ARG 84 Ca 0.01 -3.64 -0.06 0.00 -1.00 0.00 0.00 57.85 53.16 1a79 n ARG 84 Cb 0.15 -2.28 0.03 0.00 -1.05 0.00 0.00 32.46 29.31 1a79 n ARG 84 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1a79 h LEU 85 N 2.29 0.55 0.01 2.89 5.85 -1.76 -1.65 115.31 123.49 1a79 h LEU 85 Ca 0.52 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.27 1a79 h LEU 85 Cb 0.82 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1a79 h LEU 85 CO 1.32 0.39 -0.41 0.00 -0.34 0.00 0.00 178.44 179.40 1a79 h LEU 87 N -0.57 -1.30 -0.48 0.00 3.38 -1.90 -1.63 115.31 112.82 1a79 h LEU 87 Ca 0.05 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1a79 h LEU 87 Cb 0.65 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1a79 h LEU 87 CO -0.31 -0.66 0.22 0.11 0.09 0.00 0.00 178.44 177.89 1a79 h LYS 88 N -1.01 0.42 -0.35 1.13 1.57 -1.19 -1.55 116.57 115.59 1a79 h LYS 88 Ca -0.07 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1a79 h LYS 88 Cb 0.87 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 1a79 h LYS 88 CO -0.03 0.28 0.13 -0.92 -0.57 0.00 0.00 179.45 178.34 1a79 h TYR 89 N 0.44 0.24 -0.27 -1.35 3.20 -0.24 -0.08 116.97 118.90 1a79 h TYR 89 Ca 0.21 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.12 1a79 h TYR 89 Cb 0.15 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1a79 h TYR 89 CO -0.12 0.10 0.12 -0.07 -1.64 0.00 0.00 178.16 176.56 1a79 h LEU 90 N 0.29 0.16 -0.35 2.82 4.07 -0.88 -0.60 115.31 120.82 1a79 h LEU 90 Ca 0.16 0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.94 1a79 h LEU 90 Cb 0.13 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 1a79 h LEU 90 CO -0.16 0.13 -0.75 0.58 -1.08 0.00 0.00 178.44 177.17 1a79 h VAL 91 N 0.26 1.36 0.24 1.22 2.07 -1.12 -2.14 116.25 118.13 1a79 h VAL 91 Ca 0.11 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 1a79 h VAL 91 Cb 0.05 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1a79 h VAL 91 CO -0.09 0.64 -0.12 0.22 0.02 0.00 0.00 177.57 178.24 1a79 h TYR 92 N 0.33 -0.30 -0.61 1.57 5.03 -0.89 -0.16 116.97 121.93 1a79 h TYR 92 Ca -0.04 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.37 1a79 h TYR 92 Cb 1.34 0.10 -0.08 0.00 1.55 0.00 0.00 36.73 39.64 1a79 h TYR 92 CO 0.05 -0.09 0.20 -0.22 -1.32 0.00 0.00 178.16 176.78 1a79 h LYS 93 N -0.46 0.34 -0.45 1.82 3.64 -1.13 0.26 116.57 120.59 1a79 h LYS 93 Ca -0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1a79 h LYS 93 Cb 0.34 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1a79 h LYS 93 CO 0.05 0.23 0.19 0.22 -2.27 0.00 0.00 179.45 177.88 1a79 h ASP 94 N 0.35 0.62 0.77 4.20 3.58 -1.08 -0.73 116.42 124.13 1a79 h ASP 94 Ca 0.31 -0.16 -0.14 0.00 0.42 0.00 0.00 57.03 57.47 1a79 h ASP 94 Cb 0.43 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1a79 h ASP 94 CO -0.34 0.60 -0.67 -0.07 -2.88 0.00 0.00 179.24 175.88 1a79 h LEU 95 N 0.59 0.00 -0.74 2.28 3.38 -0.51 -2.48 115.31 117.84 1a79 h LEU 95 Ca 0.15 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1a79 h LEU 95 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1a79 h LEU 95 CO -0.01 0.67 -0.46 -0.09 0.09 0.00 0.00 178.44 178.63 1a79 h ARG 96 N 0.00 0.40 0.00 1.13 9.65 -0.35 -1.90 114.38 123.31 1a79 h ARG 96 Ca -0.01 -0.22 -0.07 0.00 -1.10 0.00 0.00 59.98 58.59 1a79 h ARG 96 Cb 1.23 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1a79 h ARG 96 CO 0.09 0.78 -0.32 1.15 2.80 0.00 0.00 179.97 184.47 1a79 h THR 97 N 0.32 0.81 -0.00 0.20 2.02 -0.89 -2.21 112.91 113.16 1a79 h THR 97 Ca 0.02 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1a79 h THR 97 Cb 0.94 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1a79 h THR 97 CO 0.08 0.31 -0.03 0.54 0.37 0.00 0.00 175.52 176.79 1a79 n ARG 98 N -3.55 0.82 -0.11 6.66 1.74 -0.93 -4.90 116.66 116.40 1a79 n ARG 98 Ca -0.00 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1a79 n ARG 98 Cb 0.45 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 1.16 0.56 3.78 -0.13 0.00 -0.83 -4.95 105.19 104.79 1a79 n GLY 99 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.28 2.74 -0.50 1.61 2.02 -0.76 -3.44 117.35 116.75 1a79 s TYR 100 Ca 0.00 1.53 -0.14 0.00 -0.37 0.00 0.00 57.07 58.09 1a79 s TYR 100 Cb 0.00 -3.06 0.11 0.00 -0.40 0.00 0.00 41.96 38.60 1a79 s TYR 100 CO 0.00 -1.56 0.42 0.42 -1.57 0.00 0.00 175.55 173.26 1a79 s ILE 101 N -2.63 4.94 -0.37 2.71 1.01 0.10 -4.44 121.20 122.52 1a79 s ILE 101 Ca 0.63 -1.42 -0.27 0.00 0.00 0.00 0.00 60.65 59.60 1a79 s ILE 101 Cb -0.18 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.21 1a79 s ILE 101 CO 0.47 -0.74 0.97 -0.69 0.00 0.00 0.00 174.94 174.95 1a79 s VAL 102 N 1.55 4.54 0.44 2.92 1.01 -1.26 -2.13 120.40 127.47 1a79 s VAL 102 Ca 0.04 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.33 1a79 s VAL 102 Cb -0.27 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 1a79 s VAL 102 CO 0.03 -0.57 0.02 -0.54 0.00 0.00 0.00 175.10 174.04 1a79 s LYS 103 N 3.58 2.02 0.43 2.72 -0.14 -0.31 -4.97 119.74 123.06 1a79 s LYS 103 Ca 0.40 -2.21 -0.24 0.00 -1.36 0.00 0.00 55.97 52.56 1a79 s LYS 103 Cb -0.12 -1.45 -0.08 0.00 -1.68 0.00 0.00 37.83 34.51 1a79 s LYS 103 CO 0.19 -0.21 1.16 -0.08 -0.76 0.00 0.00 175.35 175.65 1a79 s THR 104 N -2.87 3.18 -0.44 2.17 -1.32 -1.26 -0.88 115.64 114.21 1a79 s THR 104 Ca 0.23 0.94 0.14 0.00 -1.21 0.00 0.00 61.69 61.78 1a79 s THR 104 Cb 0.06 -3.50 0.40 0.00 -1.51 0.00 0.00 72.50 67.95 1a79 s THR 104 CO 0.12 0.04 1.32 0.61 -2.21 0.00 0.00 174.62 174.49 1a79 n GLY 105 N 0.52 3.56 0.31 6.08 0.00 -1.08 -4.17 105.19 110.41 1a79 n GLY 105 Ca 0.06 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 1.67 0.22 -1.54 0.99 5.85 -1.76 0.48 115.31 121.23 1a79 h LEU 106 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1a79 h LEU 106 Cb 1.10 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1a79 h LEU 106 CO 0.11 -0.04 0.03 0.11 -0.34 0.00 0.00 178.44 178.31 1a79 h LYS 107 N 0.34 0.00 -0.11 1.25 1.57 -1.88 -1.12 116.57 116.63 1a79 h LYS 107 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1a79 h LYS 107 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1a79 h LYS 107 CO -0.55 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 178.99 1a79 n TYR 108 N -2.32 0.14 -1.04 -1.35 4.02 0.08 -4.97 117.16 111.72 1a79 n TYR 108 Ca -0.02 -0.32 -0.01 0.00 -0.01 0.00 0.00 57.90 57.54 1a79 n TYR 108 Cb 0.06 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.35 1a79 n TYR 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a79 n GLY 109 N 0.09 0.51 3.83 2.72 0.00 -0.42 -4.97 105.19 106.95 1a79 n GLY 109 Ca 0.05 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.95 3.85 -0.07 4.61 0.00 -0.74 -4.97 121.76 122.50 1a79 s ALA 110 Ca 0.00 -1.79 -0.26 0.00 0.00 0.00 0.00 51.96 49.91 1a79 s ALA 110 Cb 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 23.12 21.91 1a79 s ALA 110 CO 0.00 -0.08 1.02 -0.44 0.00 0.00 0.00 175.76 176.26 1a79 h ASP 111 N 1.23 -0.03 -4.86 0.00 3.32 -0.89 -2.87 116.42 112.31 1a79 h ASP 111 Ca -0.43 -0.64 -0.41 0.00 0.02 0.00 0.00 57.03 55.58 1a79 h ASP 111 Cb 1.26 0.01 -0.14 0.00 0.22 0.00 0.00 39.33 40.68 1a79 h ASP 111 CO 0.59 0.65 -0.56 -0.36 -1.72 0.00 0.00 179.24 177.84 1a79 s PHE 112 N -3.40 1.58 -0.08 4.55 0.08 -0.98 -2.64 117.98 117.10 1a79 s PHE 112 Ca -0.16 -1.39 -0.05 0.00 0.12 0.00 0.00 56.93 55.45 1a79 s PHE 112 Cb -0.00 -0.83 0.03 0.00 -0.57 0.00 0.00 43.02 41.65 1a79 s PHE 112 CO 0.64 -0.55 0.19 -0.98 -0.10 0.00 0.00 175.22 174.43 1a79 s ARG 113 N -3.82 0.18 0.17 0.44 1.70 -0.06 -0.93 118.95 116.63 1a79 s ARG 113 Ca 0.36 0.37 0.09 0.00 -0.47 0.00 0.00 55.73 56.08 1a79 s ARG 113 Cb 0.05 -0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 1a79 s ARG 113 CO 0.18 -0.10 -0.10 -0.51 -1.08 0.00 0.00 175.30 173.68 1a79 s LEU 114 N 0.70 2.96 0.02 -1.89 1.43 -0.43 -1.17 118.68 120.31 1a79 s LEU 114 Ca -0.05 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 1a79 s LEU 114 Cb -0.06 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1a79 s LEU 114 CO -0.04 0.11 -0.19 -0.31 0.23 0.00 0.00 176.35 176.16 1a79 s TYR 115 N -1.63 1.66 0.65 0.29 1.51 -0.91 -0.03 117.35 118.89 1a79 s TYR 115 Ca 0.24 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 55.77 1a79 s TYR 115 Cb -0.09 -1.01 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 1a79 s TYR 115 CO 0.15 0.04 1.27 0.39 -1.11 0.00 0.00 175.55 176.29 1a79 n GLU 116 N 2.12 1.09 0.00 -0.62 -0.58 -1.26 -0.72 120.64 120.67 1a79 n GLU 116 Ca -0.16 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1a79 n GLU 116 Cb 0.54 -2.50 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 1a79 n GLU 116 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1a79 n ARG 117 N -1.85 0.00 -4.02 3.49 0.63 -1.22 -3.15 116.66 110.53 1a79 n ARG 117 Ca 0.16 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.76 1a79 n ARG 117 Cb 0.48 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.24 1a79 n ARG 117 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1a79 s GLY 118 N -2.66 1.67 -0.09 5.14 0.00 -1.26 -4.77 107.32 105.34 1a79 s GLY 118 Ca 0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 44.72 42.82 1a79 s GLY 118 CO 0.00 0.61 0.43 0.00 0.00 0.00 0.00 173.10 174.14 1a79 s ALA 119 N 1.16 -1.09 -0.91 3.20 0.00 -1.19 -5.08 121.76 117.86 1a79 s ALA 119 Ca -0.07 0.92 -0.21 0.00 0.00 0.00 0.00 51.96 52.60 1a79 s ALA 119 Cb -0.19 -0.32 0.09 0.00 0.00 0.00 0.00 23.12 22.69 1a79 s ALA 119 CO -0.04 -0.25 1.21 1.21 0.00 0.00 0.00 175.76 177.89 1a79 s ASN 120 N -0.56 6.49 0.16 0.00 2.47 -1.26 -4.83 114.94 117.42 1a79 s ASN 120 Ca -0.07 -1.60 0.04 0.00 0.42 0.00 0.00 52.86 51.65 1a79 s ASN 120 Cb -0.03 -2.47 0.22 0.00 -1.45 0.00 0.00 41.25 37.52 1a79 s ASN 120 CO 0.03 -1.31 0.89 -0.38 -3.72 0.00 0.00 177.10 172.61 1a79 n ILE 121 N 6.05 0.56 0.00 -5.21 5.41 -1.26 -1.87 119.36 123.04 1a79 n ILE 121 Ca 0.21 0.62 0.00 0.00 1.00 0.00 0.00 62.75 64.59 1a79 n ILE 121 Cb 0.49 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 1a79 n ILE 121 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1a79 n ASP 122 N -1.56 0.00 -0.13 4.38 9.92 -1.26 -4.33 116.55 123.57 1a79 n ASP 122 Ca -0.00 0.45 0.15 0.00 -0.53 0.00 0.00 54.79 54.85 1a79 n ASP 122 Cb 0.40 -0.32 0.74 0.00 -0.64 0.00 0.00 41.12 41.29 1a79 n ASP 122 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1a79 n LYS 123 N -1.46 0.97 -3.72 -1.24 5.02 -1.09 -4.88 118.16 111.76 1a79 n LYS 123 Ca 0.00 -0.26 -0.21 0.00 -2.02 0.00 0.00 58.31 55.82 1a79 n LYS 123 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1a79 n LYS 123 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1a79 s GLU 124 N -2.21 2.85 0.21 1.97 2.02 -0.78 -5.09 118.70 117.68 1a79 s GLU 124 Ca 0.38 -1.20 0.10 0.00 0.02 0.00 0.00 54.97 54.26 1a79 s GLU 124 Cb 0.21 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1a79 s GLU 124 CO 0.41 0.09 -0.10 -1.01 0.02 0.00 0.00 175.26 174.67 1a79 s HIS 125 N -2.26 2.57 0.37 1.61 3.76 -1.26 -4.81 115.29 115.26 1a79 s HIS 125 Ca 0.42 -0.25 -0.26 0.00 -0.15 0.00 0.00 55.06 54.82 1a79 s HIS 125 Cb -0.07 -1.21 -0.09 0.00 1.11 0.00 0.00 32.58 32.32 1a79 s HIS 125 CO 0.28 0.56 1.15 -1.54 -0.85 0.00 0.00 174.74 174.35 1a79 s SER 126 N -3.09 6.69 -0.05 1.40 1.04 -1.26 -4.89 113.70 113.54 1a79 s SER 126 Ca 0.27 2.32 0.18 0.00 0.48 0.00 0.00 55.95 59.20 1a79 s SER 126 Cb -0.08 -2.62 -0.22 0.00 0.10 0.00 0.00 66.02 63.21 1a79 s SER 126 CO 0.16 -0.55 0.49 0.55 0.98 0.00 0.00 173.24 174.86 1a79 n VAL 127 N 0.30 1.05 -4.35 5.02 3.14 0.96 -4.92 118.33 119.54 1a79 n VAL 127 Ca 0.03 -0.72 -0.26 0.00 -2.96 0.00 0.00 64.34 60.43 1a79 n VAL 127 Cb 0.46 -0.52 -0.12 0.00 -1.06 0.00 0.00 33.84 32.59 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 -2.87 2.06 -0.08 1.45 2.02 -1.21 -1.70 117.35 117.02 1a79 s TYR 128 Ca -0.06 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.28 1a79 s TYR 128 Cb 0.09 -1.10 -0.00 0.00 -0.40 0.00 0.00 41.96 40.55 1a79 s TYR 128 CO 0.84 0.31 -0.23 -1.17 -1.57 0.00 0.00 175.55 173.73 1a79 s LEU 129 N -2.15 2.04 -0.01 -1.29 2.96 -0.15 -1.31 118.68 118.78 1a79 s LEU 129 Ca 0.12 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1a79 s LEU 129 Cb -0.09 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 1a79 s LEU 129 CO 0.06 0.18 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.36 1a79 s VAL 130 N 0.15 1.71 -0.06 1.68 1.01 -0.11 -0.96 120.40 123.83 1a79 s VAL 130 Ca -0.12 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1a79 s VAL 130 Cb -0.16 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1a79 s VAL 130 CO 0.06 0.44 -0.10 -0.75 0.00 0.00 0.00 175.10 174.75 1a79 s LYS 131 N -0.63 1.42 -0.07 2.72 2.20 -0.58 -0.28 119.74 124.51 1a79 s LYS 131 Ca 0.08 -0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.34 1a79 s LYS 131 Cb -0.08 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 34.98 1a79 s LYS 131 CO -0.00 -0.00 0.11 0.08 -0.36 0.00 0.00 175.35 175.17 1a79 s VAL 132 N 0.72 5.09 -0.06 4.02 1.01 -1.26 -0.67 120.40 129.26 1a79 s VAL 132 Ca -0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1a79 s VAL 132 Cb -0.15 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1a79 s VAL 132 CO 0.03 0.50 0.16 -0.36 0.00 0.00 0.00 175.10 175.43 1a79 s PHE 133 N -1.09 -0.17 0.18 5.22 0.08 0.19 -4.96 117.98 117.42 1a79 s PHE 133 Ca 0.19 0.42 -0.30 0.00 0.12 0.00 0.00 56.93 57.36 1a79 s PHE 133 Cb -0.12 0.05 -0.07 0.00 -0.57 0.00 0.00 43.02 42.31 1a79 s PHE 133 CO 0.09 -0.09 0.95 -1.25 -0.10 0.00 0.00 175.22 174.82 1a79 s PRO 134 N 0.14 4.78 0.09 0.24 0.04 -1.26 -0.94 135.00 138.10 1a79 s PRO 134 Ca -0.01 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 1a79 s PRO 134 Cb -0.02 -3.33 -0.07 0.00 0.04 0.00 0.00 34.50 31.13 1a79 s PRO 134 CO -0.00 0.37 1.54 1.49 0.04 0.00 0.00 177.00 180.44 1a79 h GLU 135 N 4.84 0.47 -1.70 4.56 4.81 -1.53 -3.26 114.58 122.77 1a79 h GLU 135 Ca -0.44 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 58.59 1a79 h GLU 135 Cb 1.21 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1a79 h GLU 135 CO 0.70 0.62 0.07 -0.25 -0.73 0.00 0.00 179.01 179.41 1a79 n ASP 136 N -4.62 4.97 -4.25 1.04 8.00 -1.26 -4.84 116.55 115.58 1a79 n ASP 136 Ca -0.03 -2.44 -0.21 0.00 0.71 0.00 0.00 54.79 52.82 1a79 n ASP 136 Cb 0.23 -0.98 -0.12 0.00 -0.02 0.00 0.00 41.12 40.23 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 1.47 2.24 0.44 -2.24 0.01 -1.23 -5.12 113.70 109.28 1a79 s SER 137 Ca 0.05 -0.69 -0.22 0.00 1.31 0.00 0.00 55.95 56.40 1a79 s SER 137 Cb 0.04 -0.11 -0.09 0.00 0.21 0.00 0.00 66.02 66.08 1a79 s SER 137 CO 0.00 -0.01 1.03 -0.94 0.41 0.00 0.00 173.24 173.73 1a79 s SER 138 N -1.98 6.59 0.24 2.44 1.04 -1.26 -5.01 113.70 115.76 1a79 s SER 138 Ca 0.05 1.94 -0.14 0.00 0.48 0.00 0.00 55.95 58.28 1a79 s SER 138 Cb -0.09 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1a79 s SER 138 CO 0.04 -0.60 0.49 0.72 0.98 0.00 0.00 173.24 174.86 1a79 s PHE 139 N -1.87 0.27 -0.03 5.02 -0.71 -1.26 -5.11 117.98 114.29 1a79 s PHE 139 Ca 0.63 -0.64 0.03 0.00 -1.04 0.00 0.00 56.93 55.91 1a79 s PHE 139 Cb -0.18 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.84 1a79 s PHE 139 CO 0.22 -0.99 -0.10 -0.51 -1.34 0.00 0.00 175.22 172.51 1a79 s LEU 140 N -2.99 3.00 0.53 -1.99 1.43 -1.26 -5.02 118.68 112.38 1a79 s LEU 140 Ca 0.20 -0.14 0.19 0.00 -1.03 0.00 0.00 54.13 53.35 1a79 s LEU 140 Cb -0.01 -1.68 1.34 0.00 0.03 0.00 0.00 46.19 45.87 1a79 s LEU 140 CO 0.07 0.32 2.11 -0.07 0.23 0.00 0.00 176.35 179.02 1a79 h LEU 141 N 4.99 0.00 -2.28 1.79 3.38 -2.01 -1.96 115.31 119.21 1a79 h LEU 141 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1a79 h LEU 141 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1a79 h LEU 141 CO 0.52 0.00 -0.02 0.77 0.09 0.00 0.00 178.44 179.80 1a79 h SER 142 N 0.00 0.00 -0.40 -0.43 4.64 -1.96 0.10 113.55 115.50 1a79 h SER 142 Ca 0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1a79 h SER 142 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1a79 h SER 142 CO -0.00 0.02 0.22 -0.33 -0.87 0.00 0.00 176.83 175.87 1a79 h GLU 143 N 0.00 0.60 0.10 4.77 5.08 -1.78 0.02 114.58 123.37 1a79 h GLU 143 Ca -0.00 -0.06 -0.36 0.00 -1.00 0.00 0.00 59.36 57.94 1a79 h GLU 143 Cb 0.05 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1a79 h GLU 143 CO 0.00 0.46 -2.01 1.28 -1.00 0.00 0.00 179.01 177.74 1a79 n LEU 144 N -4.41 2.40 -0.06 1.33 4.77 -0.48 -3.63 117.00 116.92 1a79 n LEU 144 Ca 0.03 0.20 0.03 0.00 -0.03 0.00 0.00 56.01 56.24 1a79 n LEU 144 Cb 0.11 -0.91 0.37 0.00 -2.33 0.00 0.00 43.42 40.65 1a79 n LEU 144 CO 0.36 0.80 1.17 0.00 -1.33 0.00 0.00 177.39 178.39 1a79 h THR 145 N 0.06 1.14 0.12 -5.08 1.03 -0.71 -1.12 112.91 108.34 1a79 h THR 145 Ca -0.42 -0.28 -0.29 0.00 -0.01 0.00 0.00 66.41 65.42 1a79 h THR 145 Cb 2.02 0.41 0.02 0.00 -1.07 0.00 0.00 68.15 69.54 1a79 h THR 145 CO 0.07 0.14 -1.23 1.23 -0.01 0.00 0.00 175.52 175.72 1a79 h GLY 146 N 0.70 0.56 0.98 2.99 0.00 -1.15 -3.07 103.07 104.08 1a79 h GLY 146 Ca 0.18 -1.22 0.00 0.00 0.00 0.00 0.00 47.33 46.29 1a79 h GLY 146 CO -0.04 1.07 0.00 -2.75 0.00 0.00 0.00 176.54 174.83 1a79 h PHE 147 N 0.21 0.00 -0.70 5.60 3.57 -1.52 -0.53 116.94 123.57 1a79 h PHE 147 Ca -0.17 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.40 1a79 h PHE 147 Cb 1.90 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.60 1a79 h PHE 147 CO 0.10 0.00 0.46 0.28 -2.23 0.00 0.00 178.31 176.92 1a79 h VAL 148 N 0.01 1.02 0.36 1.41 2.07 -1.30 0.09 116.25 119.90 1a79 h VAL 148 Ca 0.01 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1a79 h VAL 148 Cb 0.01 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1a79 h VAL 148 CO -0.01 0.13 -0.17 -0.09 0.02 0.00 0.00 177.57 177.45 1a79 h ARG 149 N 0.73 -0.46 -0.53 1.57 9.65 -1.31 -1.59 114.38 122.43 1a79 h ARG 149 Ca 0.30 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.25 1a79 h ARG 149 Cb 0.26 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 1a79 h ARG 149 CO -0.10 -0.15 0.31 0.28 2.80 0.00 0.00 179.97 183.11 1a79 h VAL 150 N -0.82 1.03 -0.97 0.20 2.07 -0.81 0.16 116.25 117.11 1a79 h VAL 150 Ca -0.05 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.34 1a79 h VAL 150 Cb 0.53 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1a79 h VAL 150 CO 0.08 0.11 0.61 0.00 0.02 0.00 0.00 177.57 178.40 1a79 h ALA 151 N 1.25 1.35 0.25 1.67 0.00 -1.01 -1.00 119.26 121.78 1a79 h ALA 151 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1a79 h ALA 151 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1a79 h ALA 151 CO -0.11 0.37 -0.12 1.25 0.00 0.00 0.00 179.25 180.64 1a79 h HIS 152 N 1.10 -0.31 -0.71 0.00 6.17 -0.04 -0.47 115.15 120.89 1a79 h HIS 152 Ca 0.43 -0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.56 1a79 h HIS 152 Cb 0.21 0.10 -0.06 0.00 2.52 0.00 0.00 27.41 30.19 1a79 h HIS 152 CO -0.01 -0.01 0.40 0.66 0.71 0.00 0.00 177.93 179.68 1a79 h SER 153 N -0.61 0.61 -0.08 3.26 4.64 -0.34 0.09 113.55 121.12 1a79 h SER 153 Ca -0.03 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1a79 h SER 153 Cb 0.44 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1a79 h SER 153 CO 0.06 0.39 0.00 0.55 -0.87 0.00 0.00 176.83 176.96 1a79 n VAL 154 N -4.75 0.20 -3.86 0.95 3.14 -0.42 -4.92 118.33 108.67 1a79 n VAL 154 Ca 0.09 -0.14 -0.34 0.00 -2.96 0.00 0.00 64.34 60.99 1a79 n VAL 154 Cb 0.17 -0.13 0.02 0.00 -1.06 0.00 0.00 33.84 32.84 1a79 n VAL 154 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1a79 n ARG 155 N -0.12 -0.89 -4.00 1.45 1.74 0.02 -5.00 116.66 109.85 1a79 n ARG 155 Ca 0.03 0.44 -0.09 0.00 -0.77 0.00 0.00 57.85 57.46 1a79 n ARG 155 Cb 0.18 -2.91 -0.11 0.00 -1.02 0.00 0.00 32.46 28.60 1a79 n ARG 155 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a79 s LYS 156 N -6.13 0.38 0.68 5.56 1.02 -0.23 -5.04 119.74 115.98 1a79 s LYS 156 Ca 0.31 -0.73 -0.11 0.00 0.02 0.00 0.00 55.97 55.45 1a79 s LYS 156 Cb -0.15 0.13 -0.00 0.00 -0.52 0.00 0.00 37.83 37.29 1a79 s LYS 156 CO 0.92 -0.06 1.05 0.15 -0.92 0.00 0.00 175.35 176.49 1a79 s LYS 157 N -1.97 3.07 0.08 1.68 1.02 -0.69 -4.47 119.74 118.46 1a79 s LYS 157 Ca -0.11 0.94 0.06 0.00 0.02 0.00 0.00 55.97 56.88 1a79 s LYS 157 Cb -0.06 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 1a79 s LYS 157 CO -0.03 -0.99 -0.16 -0.48 -0.92 0.00 0.00 175.35 172.76 1a79 s LEU 158 N -5.41 2.29 -0.06 3.17 0.05 -1.26 -0.97 118.68 116.49 1a79 s LEU 158 Ca 0.58 -0.64 0.02 0.00 0.05 0.00 0.00 54.13 54.14 1a79 s LEU 158 Cb -0.14 -0.64 0.01 0.00 -2.05 0.00 0.00 46.19 43.38 1a79 s LEU 158 CO 0.53 -0.03 -0.10 -0.76 -0.55 0.00 0.00 176.35 175.44 1a79 s LEU 159 N -1.80 1.58 -0.46 1.48 1.43 -0.14 -4.64 118.68 116.14 1a79 s LEU 159 Ca 0.01 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1a79 s LEU 159 Cb -0.10 -0.72 0.12 0.00 0.03 0.00 0.00 46.19 45.52 1a79 s LEU 159 CO 0.03 0.01 0.30 -0.63 0.23 0.00 0.00 176.35 176.29 1a79 s ILE 160 N 0.69 3.82 -0.30 -0.59 1.01 -0.02 -1.53 121.20 124.28 1a79 s ILE 160 Ca -0.13 -1.97 -0.23 0.00 0.00 0.00 0.00 60.65 58.32 1a79 s ILE 160 Cb -0.15 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 1a79 s ILE 160 CO 0.03 -0.75 0.77 0.00 0.00 0.00 0.00 174.94 174.99 1a79 s ALA 161 N 1.18 3.55 -0.20 9.38 0.00 0.16 -1.43 121.76 134.39 1a79 s ALA 161 Ca 0.08 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 1a79 s ALA 161 Cb -0.24 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1a79 s ALA 161 CO -0.02 -1.15 -0.04 0.42 0.00 0.00 0.00 175.76 174.97 1a79 s ILE 162 N 2.90 3.50 -0.26 0.00 1.01 -0.77 -0.64 121.20 126.93 1a79 s ILE 162 Ca 0.32 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 1a79 s ILE 162 Cb -0.14 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 1a79 s ILE 162 CO 0.12 0.44 0.11 -0.69 0.00 0.00 0.00 174.94 174.92 1a79 s VAL 163 N 1.18 4.59 0.85 2.92 1.01 -0.12 -1.58 120.40 129.25 1a79 s VAL 163 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 1a79 s VAL 163 Cb -0.14 -3.18 0.10 0.00 0.00 0.00 0.00 36.38 33.16 1a79 s VAL 163 CO -0.01 0.29 1.15 1.51 0.00 0.00 0.00 175.10 178.04 1a79 s ASP 164 N 1.65 4.10 0.64 3.32 1.47 0.15 -1.31 116.67 126.68 1a79 s ASP 164 Ca 0.06 0.91 0.26 0.00 1.18 0.00 0.00 52.55 54.96 1a79 s ASP 164 Cb -0.16 -1.47 1.34 0.00 -0.34 0.00 0.00 42.92 42.30 1a79 s ASP 164 CO 0.06 -2.18 1.77 0.00 0.68 0.00 0.00 175.17 175.50 1a79 h ALA 165 N -1.24 1.79 -0.01 2.11 0.00 -1.99 0.74 119.26 120.67 1a79 h ALA 165 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1a79 h ALA 165 Cb 1.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1a79 h ALA 165 CO 0.64 -0.62 -0.13 -0.25 0.00 0.00 0.00 179.25 178.88 1a79 n ASP 166 N -3.13 0.83 0.00 0.00 8.00 -1.26 -4.91 116.55 116.07 1a79 n ASP 166 Ca 0.03 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1a79 n ASP 166 Cb 0.62 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 1.26 0.66 3.86 0.44 0.00 0.26 -5.06 105.19 106.62 1a79 n GLY 167 Ca 0.15 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.10 6.71 -0.05 1.61 1.01 -1.25 -4.80 116.67 117.80 1a79 s ASP 168 Ca 0.00 1.04 0.03 0.00 0.71 0.00 0.00 52.55 54.33 1a79 s ASP 168 Cb 0.00 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 1a79 s ASP 168 CO 0.00 -0.07 -0.13 -0.63 0.21 0.00 0.00 175.17 174.56 1a79 s ILE 169 N -1.78 3.21 -0.08 0.77 1.01 -1.26 -0.68 121.20 122.39 1a79 s ILE 169 Ca 0.47 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1a79 s ILE 169 Cb -0.12 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.10 1a79 s ILE 169 CO 0.20 0.57 -0.04 -0.69 0.00 0.00 0.00 174.94 174.99 1a79 s VAL 170 N -0.77 0.67 0.08 2.92 1.01 -0.62 -4.97 120.40 118.73 1a79 s VAL 170 Ca 0.12 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 1a79 s VAL 170 Cb -0.11 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 1a79 s VAL 170 CO 0.01 0.30 0.53 -0.31 0.00 0.00 0.00 175.10 175.63 1a79 s TYR 171 N 1.71 3.74 0.09 5.22 1.51 -1.26 -1.86 117.35 126.50 1a79 s TYR 171 Ca 0.02 1.16 0.03 0.00 -1.01 0.00 0.00 57.07 57.28 1a79 s TYR 171 Cb -0.13 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.27 1a79 s TYR 171 CO -0.05 0.56 -0.09 0.71 -1.11 0.00 0.00 175.55 175.56 1a79 s TYR 172 N -1.20 0.99 0.33 2.71 1.51 -0.52 -4.92 117.35 116.26 1a79 s TYR 172 Ca 0.30 -0.68 0.09 0.00 -1.01 0.00 0.00 57.07 55.77 1a79 s TYR 172 Cb -0.18 -0.55 -0.05 0.00 -0.11 0.00 0.00 41.96 41.07 1a79 s TYR 172 CO 0.18 -0.03 0.03 1.21 -1.11 0.00 0.00 175.55 175.83 1a79 s ASN 173 N -2.46 4.31 -0.15 2.29 3.04 -1.26 -0.84 114.94 119.86 1a79 s ASN 173 Ca 0.05 -0.90 -0.12 0.00 0.04 0.00 0.00 52.86 51.92 1a79 s ASN 173 Cb -0.02 -0.60 0.04 0.00 -1.54 0.00 0.00 41.25 39.13 1a79 s ASN 173 CO -0.01 -0.21 0.40 -0.32 -3.04 0.00 0.00 177.10 173.92 1a79 s MET 174 N -3.73 0.44 -0.01 0.43 1.75 -1.26 -5.00 119.30 111.92 1a79 s MET 174 Ca 0.35 0.61 -0.02 0.00 -1.25 0.00 0.00 55.69 55.38 1a79 s MET 174 Cb -0.02 0.15 -0.00 0.00 2.84 0.00 0.00 34.83 37.81 1a79 s MET 174 CO 0.20 -0.08 0.04 0.95 -0.65 0.00 0.00 175.02 175.48 1a79 s THR 175 N 0.53 0.03 0.60 10.11 -4.23 -1.26 -4.93 115.64 116.49 1a79 s THR 175 Ca -0.03 -0.25 -0.19 0.00 -1.18 0.00 0.00 61.69 60.05 1a79 s THR 175 Cb -0.04 -0.15 -0.03 0.00 1.34 0.00 0.00 72.50 73.61 1a79 s THR 175 CO -0.03 -0.14 1.21 -0.47 -0.54 0.00 0.00 174.62 174.65 1a79 s TYR 176 N -0.41 2.39 -0.08 3.99 5.04 -1.26 -5.03 117.35 121.98 1a79 s TYR 176 Ca -0.05 1.52 -0.10 0.00 -2.44 0.00 0.00 57.07 56.00 1a79 s TYR 176 Cb -0.03 -3.48 0.02 0.00 0.35 0.00 0.00 41.96 38.83 1a79 s TYR 176 CO -0.00 -2.22 0.27 0.08 -1.34 0.00 0.00 175.55 172.34 1a79 s VAL 177 N -1.61 0.01 -0.46 3.14 1.01 -1.26 -5.10 120.40 116.14 1a79 s VAL 177 Ca 0.77 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1a79 s VAL 177 Cb -0.30 -0.42 0.12 0.00 0.00 0.00 0.00 36.38 35.78 1a79 s VAL 177 CO 0.33 -0.06 0.19 -0.54 0.00 0.00 0.00 175.10 175.02 1a79 s LYS 178 N -0.15 1.76 0.00 2.72 3.01 -1.26 -5.37 119.74 120.45 1a79 s LYS 178 Ca -0.03 -2.33 0.00 0.00 -1.01 0.00 0.00 55.97 52.60 1a79 s LYS 178 Cb -0.03 -3.20 0.00 0.00 -1.01 0.00 0.00 37.83 33.59 1a79 s LYS 178 CO 0.01 -1.06 0.40 -2.30 0.51 0.00 0.00 175.35 172.91