#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1b s GLU 2 N 0.00 4.30 -0.62 2.12 0.41 0.55 -4.98 118.70 120.49 1t1b s GLU 2 Ca 0.00 1.18 -0.19 0.00 -0.41 0.00 0.00 54.97 55.55 1t1b s GLU 2 Cb 0.00 -3.59 0.10 0.00 -1.78 0.00 0.00 34.13 28.86 1t1b s GLU 2 CO 0.00 -0.43 0.75 -1.01 -0.49 0.00 0.00 175.26 174.08 1t1b s HIS 3 N 2.48 2.98 -0.07 1.61 3.76 -1.26 -4.54 115.29 120.25 1t1b s HIS 3 Ca 0.42 -0.95 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 1t1b s HIS 3 Cb -0.16 -4.05 0.02 0.00 1.11 0.00 0.00 32.58 29.49 1t1b s HIS 3 CO 0.11 -1.34 -0.07 0.08 -0.85 0.00 0.00 174.74 172.68 1t1b s VAL 4 N 2.79 0.83 0.18 -0.90 1.01 -1.26 -5.15 120.40 117.89 1t1b s VAL 4 Ca 0.13 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 1t1b s VAL 4 Cb -0.23 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.25 1t1b s VAL 4 CO 0.06 0.31 0.61 0.00 0.00 0.00 0.00 175.10 176.07 1t1b s ALA 5 N 1.19 3.52 0.28 5.51 0.00 -1.26 -4.72 121.76 126.28 1t1b s ALA 5 Ca -0.06 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 1t1b s ALA 5 Cb -0.14 -2.61 -0.12 0.00 0.00 0.00 0.00 23.12 20.25 1t1b s ALA 5 CO -0.02 0.42 1.63 0.34 0.00 0.00 0.00 175.76 178.13 1t1b n PHE 6 N 0.68 2.87 -0.91 0.00 -0.00 -1.26 -2.14 117.46 116.70 1t1b n PHE 6 Ca -0.04 0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 1t1b n PHE 6 Cb 0.52 -2.62 0.00 0.00 -0.00 0.00 0.00 39.48 37.38 1t1b n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1t1b n GLY 7 N 2.49 0.62 3.76 7.13 0.00 -1.26 -5.01 105.19 112.93 1t1b n GLY 7 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1t1b n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t1b n SER 8 N 0.00 3.47 -0.17 1.61 7.64 -0.91 -4.92 113.62 120.34 1t1b n SER 8 Ca 0.00 1.16 -0.11 0.00 1.01 0.00 0.00 58.87 60.93 1t1b n SER 8 Cb 0.00 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 61.60 1t1b n SER 8 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1t1b h GLU 9 N 2.52 0.96 -0.84 1.43 3.07 -1.95 -2.87 114.58 116.90 1t1b h GLU 9 Ca -0.51 -0.36 -0.21 0.00 -0.50 0.00 0.00 59.36 57.79 1t1b h GLU 9 Cb 1.26 -0.06 -0.12 0.00 -0.84 0.00 0.00 28.75 28.99 1t1b h GLU 9 CO 0.62 1.03 0.26 -0.25 -1.40 0.00 0.00 179.01 179.27 1t1b n ASP 10 N -4.21 4.13 -0.32 1.42 8.00 -1.26 -4.54 116.55 119.77 1t1b n ASP 10 Ca 0.01 -2.99 0.19 0.00 0.71 0.00 0.00 54.79 52.70 1t1b n ASP 10 Cb 0.39 -0.71 0.45 0.00 -0.02 0.00 0.00 41.12 41.23 1t1b n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1t1b h ILE 11 N 1.91 0.59 0.00 0.53 2.10 -1.89 -1.18 117.51 119.58 1t1b h ILE 11 Ca 0.25 -0.18 -0.05 0.00 1.08 0.00 0.00 64.86 65.97 1t1b h ILE 11 Cb 2.07 0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 37.83 1t1b h ILE 11 CO 0.63 0.09 -0.23 1.05 -1.08 0.00 0.00 178.15 178.61 1t1b h GLU 12 N 0.51 0.00 -0.09 2.19 9.09 -1.87 -1.74 114.58 122.67 1t1b h GLU 12 Ca 0.58 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.83 1t1b h GLU 12 Cb 1.27 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.38 1t1b h GLU 12 CO -0.32 0.23 -0.56 -0.91 0.05 0.00 0.00 179.01 177.50 1t1b h ASN 13 N 0.00 0.65 -0.28 3.06 4.21 -1.58 -2.87 115.58 118.77 1t1b h ASN 13 Ca -0.00 -0.66 -0.13 0.00 1.21 0.00 0.00 56.30 56.71 1t1b h ASN 13 Cb 0.67 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.66 1t1b h ASN 13 CO 0.03 1.21 -0.30 0.74 -1.29 0.00 0.00 177.43 177.82 1t1b h THR 14 N 0.14 1.28 -0.00 2.81 2.02 -1.27 -3.15 112.91 114.73 1t1b h THR 14 Ca -0.05 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.69 1t1b h THR 14 Cb 1.22 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1t1b h THR 14 CO 0.12 0.48 -0.22 0.18 0.37 0.00 0.00 175.52 176.45 1t1b n LEU 15 N -4.08 0.29 0.00 2.58 4.32 -0.68 -3.48 117.00 115.95 1t1b n LEU 15 Ca -0.01 0.21 0.01 0.00 -0.02 0.00 0.00 56.01 56.20 1t1b n LEU 15 Cb 0.48 -0.34 0.34 0.00 -1.62 0.00 0.00 43.42 42.28 1t1b n LEU 15 CO 0.46 0.07 1.01 0.00 -1.22 0.00 0.00 177.39 177.70 1t1b h ALA 16 N 3.12 1.48 0.00 -1.18 0.00 -1.46 -2.81 119.26 118.41 1t1b h ALA 16 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1t1b h ALA 16 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1t1b h ALA 16 CO 0.00 0.39 0.00 1.57 0.00 0.00 0.00 179.25 181.21 1t1b h LYS 17 N 0.51 0.00 -6.68 0.00 2.10 -1.72 -3.46 116.57 107.32 1t1b h LYS 17 Ca 0.12 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.27 1t1b h LYS 17 Cb 0.21 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.52 1t1b h LYS 17 CO -0.00 0.00 0.34 -1.64 -2.00 0.00 0.00 179.45 176.15 1t1b s MET 18 N -3.16 4.79 0.00 0.07 -1.94 -1.06 -5.07 119.30 112.93 1t1b s MET 18 Ca 0.09 1.45 0.00 0.00 -1.71 0.00 0.00 55.69 55.52 1t1b s MET 18 Cb 0.09 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 33.63 1t1b s MET 18 CO 0.62 0.43 0.00 -3.47 -0.01 0.00 0.00 175.02 172.59 1t1b n ASP 19 N 1.88 0.00 0.19 3.03 4.64 -1.26 -4.86 116.55 120.17 1t1b n ASP 19 Ca -0.01 -0.89 0.03 0.00 -1.38 0.00 0.00 54.79 52.54 1t1b n ASP 19 Cb 0.48 0.00 0.41 0.00 -1.04 0.00 0.00 41.12 40.97 1t1b n ASP 19 CO 0.00 0.00 0.00 -2.24 -0.82 0.00 0.00 177.20 174.14 1t1b h ASP 20 N 0.00 0.02 0.21 1.67 3.04 -2.00 -2.08 116.42 117.29 1t1b h ASP 20 Ca 0.00 -0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.62 1t1b h ASP 20 Cb 0.00 -0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1t1b h ASP 20 CO 0.00 0.31 -0.65 1.23 -2.04 0.00 0.00 179.24 178.09 1t1b h GLY 21 N 0.89 0.45 1.95 7.15 0.00 -2.00 -3.04 103.07 108.47 1t1b h GLY 21 Ca 0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 46.60 1t1b h GLY 21 CO 0.04 0.52 -0.67 1.46 0.00 0.00 0.00 176.54 177.89 1t1b h GLN 22 N 0.30 0.05 -0.00 4.80 4.20 -1.87 -3.03 115.11 119.56 1t1b h GLN 22 Ca -0.01 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 1t1b h GLN 22 Cb 1.20 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1t1b h GLN 22 CO 0.11 0.71 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.44 1t1b h LEU 23 N 0.04 0.00 -1.04 1.46 3.38 -1.30 -2.44 115.31 115.42 1t1b h LEU 23 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1t1b h LEU 23 Cb 1.20 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1t1b h LEU 23 CO 0.09 0.47 0.00 0.44 0.09 0.00 0.00 178.44 179.53 1t1b h ASP 24 N 0.00 0.00 -0.19 -0.43 3.32 -1.42 -2.62 116.42 115.08 1t1b h ASP 24 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1t1b h ASP 24 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1t1b h ASP 24 CO 0.06 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 1t1b n GLY 25 N -0.03 0.26 3.85 2.75 0.00 -0.92 -4.58 105.19 106.53 1t1b n GLY 25 Ca 0.01 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1t1b n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t1b s LEU 26 N -1.43 3.22 0.00 0.99 1.43 -0.99 -0.33 118.68 121.57 1t1b s LEU 26 Ca 0.29 1.51 0.28 0.00 -1.03 0.00 0.00 54.13 55.18 1t1b s LEU 26 Cb 0.16 -4.48 1.15 0.00 0.03 0.00 0.00 46.19 43.05 1t1b s LEU 26 CO 0.23 -1.06 1.82 0.00 0.23 0.00 0.00 176.35 177.56 1t1b n ALA 27 N -2.81 2.80 -2.25 4.21 0.00 -1.26 -4.80 120.51 116.41 1t1b n ALA 27 Ca 0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 1t1b n ALA 27 Cb 0.54 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.58 1t1b n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1t1b s PHE 28 N -2.50 1.24 0.35 0.00 -0.12 -1.26 -5.04 117.98 110.65 1t1b s PHE 28 Ca 0.28 -0.96 -0.27 0.00 -0.05 0.00 0.00 56.93 55.93 1t1b s PHE 28 Cb 0.20 -0.70 -0.09 0.00 -0.63 0.00 0.00 43.02 41.80 1t1b s PHE 28 CO 0.49 -0.14 1.12 0.20 -0.05 0.00 0.00 175.22 176.84 1t1b s GLY 29 N -3.18 2.91 -0.03 1.99 0.00 0.90 -4.67 107.32 105.24 1t1b s GLY 29 Ca 0.22 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.85 1t1b s GLY 29 CO 0.03 1.43 -0.02 0.00 0.00 0.00 0.00 173.10 174.54 1t1b s ALA 30 N -1.37 0.42 -0.05 3.20 0.00 -1.26 -1.77 121.76 120.93 1t1b s ALA 30 Ca 0.52 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.56 1t1b s ALA 30 Cb -0.29 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1t1b s ALA 30 CO 0.37 -0.02 -0.10 0.42 0.00 0.00 0.00 175.76 176.43 1t1b s ILE 31 N 0.80 0.95 -0.16 0.00 1.01 -0.36 -1.55 121.20 121.88 1t1b s ILE 31 Ca -0.09 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1t1b s ILE 31 Cb -0.12 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1t1b s ILE 31 CO -0.01 0.31 -0.04 -1.58 0.00 0.00 0.00 174.94 173.62 1t1b s GLN 32 N 0.65 3.62 0.24 2.79 0.74 -0.34 -0.31 119.66 127.05 1t1b s GLN 32 Ca -0.12 -0.54 0.12 0.00 0.05 0.00 0.00 55.36 54.86 1t1b s GLN 32 Cb -0.15 -2.92 -0.05 0.00 1.10 0.00 0.00 33.01 30.99 1t1b s GLN 32 CO 0.02 0.18 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.22 1t1b s LEU 33 N 0.53 2.55 0.83 3.68 1.43 0.10 -1.06 118.68 126.75 1t1b s LEU 33 Ca -0.03 -0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 52.06 1t1b s LEU 33 Cb -0.14 -1.15 0.17 0.00 0.03 0.00 0.00 46.19 45.10 1t1b s LEU 33 CO 0.03 0.07 1.14 1.51 0.23 0.00 0.00 176.35 179.33 1t1b s ASP 34 N -3.17 3.72 0.00 2.29 1.47 -0.73 -0.55 116.67 119.69 1t1b s ASP 34 Ca 0.26 -0.27 0.21 0.00 1.18 0.00 0.00 52.55 53.93 1t1b s ASP 34 Cb -0.06 0.11 1.11 0.00 -0.34 0.00 0.00 42.92 43.74 1t1b s ASP 34 CO 0.13 -2.31 1.66 0.61 0.68 0.00 0.00 175.17 175.95 1t1b n GLY 35 N -3.23 -0.89 0.76 2.12 0.00 -1.17 -1.87 105.19 100.91 1t1b n GLY 35 Ca 0.17 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1t1b n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t1b n ASP 36 N -1.21 2.62 0.00 1.61 8.00 -1.26 -4.96 116.55 121.35 1t1b n ASP 36 Ca 0.11 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1t1b n ASP 36 Cb 0.14 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1t1b n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t1b n GLY 37 N 1.04 0.55 3.78 0.44 0.00 -0.78 -4.90 105.19 105.32 1t1b n GLY 37 Ca 0.12 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1t1b n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t1b s ASN 38 N -2.48 7.18 -0.26 1.61 0.01 -1.26 -0.59 114.94 119.14 1t1b s ASN 38 Ca 0.00 1.87 -0.27 0.00 -0.71 0.00 0.00 52.86 53.75 1t1b s ASN 38 Cb 0.00 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.09 1t1b s ASN 38 CO 0.00 -0.19 0.97 -0.63 -1.51 0.00 0.00 177.10 175.75 1t1b s ILE 39 N -1.68 4.68 -0.22 0.60 1.01 0.03 -1.77 121.20 123.86 1t1b s ILE 39 Ca 0.53 1.75 0.11 0.00 0.00 0.00 0.00 60.65 63.04 1t1b s ILE 39 Cb -0.18 -4.28 -0.21 0.00 0.01 0.00 0.00 42.46 37.80 1t1b s ILE 39 CO 0.24 -0.24 -0.06 0.18 0.00 0.00 0.00 174.94 175.06 1t1b n LEU 40 N 6.38 1.31 -3.96 2.97 4.77 -0.22 -0.32 117.00 127.92 1t1b n LEU 40 Ca 0.10 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 1t1b n LEU 40 Cb 0.47 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.34 1t1b n LEU 40 CO 0.53 0.68 -0.31 -1.10 -1.33 0.00 0.00 177.39 175.85 1t1b s GLN 41 N -2.49 0.38 -0.28 3.23 -1.52 -1.16 -4.92 119.66 112.91 1t1b s GLN 41 Ca -0.20 -0.60 -0.02 0.00 -1.95 0.00 0.00 55.36 52.58 1t1b s GLN 41 Cb 0.07 0.14 0.16 0.00 -0.22 0.00 0.00 33.01 33.16 1t1b s GLN 41 CO 0.70 -0.07 0.51 -0.47 -0.25 0.00 0.00 175.29 175.71 1t1b s TYR 42 N -1.63 -1.28 0.65 0.91 6.14 -1.26 -1.20 117.35 119.68 1t1b s TYR 42 Ca -0.14 1.42 -0.00 0.00 0.64 0.00 0.00 57.07 58.99 1t1b s TYR 42 Cb -0.08 0.37 0.09 0.00 0.42 0.00 0.00 41.96 42.75 1t1b s TYR 42 CO -0.01 -0.79 0.90 0.54 0.64 0.00 0.00 175.55 176.83 1t1b s ASN 43 N 2.74 4.76 0.19 4.32 4.22 -0.60 -4.79 114.94 125.78 1t1b s ASN 43 Ca 0.16 -0.19 -0.12 0.00 -2.14 0.00 0.00 52.86 50.56 1t1b s ASN 43 Cb -0.15 -0.41 0.13 0.00 1.28 0.00 0.00 41.25 42.11 1t1b s ASN 43 CO -0.19 -1.55 1.81 0.00 -2.04 0.00 0.00 177.10 175.14 1t1b h ALA 44 N -0.28 0.72 0.00 3.54 0.00 -1.83 -1.99 119.26 119.42 1t1b h ALA 44 Ca -0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1t1b h ALA 44 Cb 1.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1t1b h ALA 44 CO 0.46 0.03 -0.20 0.00 0.00 0.00 0.00 179.25 179.55 1t1b h ALA 45 N 1.26 1.24 -0.34 0.00 0.00 -1.83 -1.85 119.26 117.75 1t1b h ALA 45 Ca 0.23 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1t1b h ALA 45 Cb 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1t1b h ALA 45 CO -0.11 0.24 -0.32 0.37 0.00 0.00 0.00 179.25 179.43 1t1b h GLN 46 N 0.00 0.73 0.00 0.00 5.75 -1.65 -1.42 115.11 118.52 1t1b h GLN 46 Ca -0.00 -0.34 -0.07 0.00 -0.15 0.00 0.00 58.65 58.09 1t1b h GLN 46 Cb 0.50 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 1t1b h GLN 46 CO 0.03 0.95 -0.31 0.78 -2.65 0.00 0.00 178.83 177.63 1t1b h GLY 47 N 0.96 0.00 0.87 2.39 0.00 -1.05 0.95 103.07 107.19 1t1b h GLY 47 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1t1b h GLY 47 CO 0.07 0.00 -0.15 -0.55 0.00 0.00 0.00 176.54 175.91 1t1b h ASP 48 N 0.00 -0.36 -0.44 0.19 3.45 -0.95 0.12 116.42 118.44 1t1b h ASP 48 Ca -0.00 -0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.36 1t1b h ASP 48 Cb 0.79 0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.63 1t1b h ASP 48 CO 0.04 -0.14 0.19 0.40 -1.57 0.00 0.00 179.24 178.16 1t1b h ILE 49 N -0.56 1.19 0.00 0.35 2.04 -0.79 -3.30 117.51 116.43 1t1b h ILE 49 Ca -0.04 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1t1b h ILE 49 Cb 0.41 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1t1b h ILE 49 CO 0.07 0.22 -1.26 0.35 0.00 0.00 0.00 178.15 177.53 1t1b n THR 50 N -4.63 0.09 -0.48 -0.27 -2.24 0.29 -4.97 114.28 102.06 1t1b n THR 50 Ca 0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1t1b n THR 50 Cb 0.13 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1t1b n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t1b n GLY 51 N 1.37 1.22 3.81 3.38 0.00 0.42 -4.96 105.19 110.44 1t1b n GLY 51 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1t1b n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t1b s ARG 52 N -0.31 4.32 -0.45 1.61 1.81 -1.23 -5.00 118.95 119.71 1t1b s ARG 52 Ca 0.00 1.07 -0.27 0.00 -1.72 0.00 0.00 55.73 54.81 1t1b s ARG 52 Cb 0.00 -2.59 0.03 0.00 -0.45 0.00 0.00 34.95 31.93 1t1b s ARG 52 CO 0.00 0.20 1.01 0.34 -0.68 0.00 0.00 175.30 176.17 1t1b s ASP 53 N -1.88 6.60 0.28 0.23 2.15 -1.26 -4.30 116.67 118.49 1t1b s ASP 53 Ca 0.52 0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.88 1t1b s ASP 53 Cb -0.14 -2.49 0.67 0.00 -0.30 0.00 0.00 42.92 40.66 1t1b s ASP 53 CO 0.19 -1.09 1.64 -0.65 -0.17 0.00 0.00 175.17 175.10 1t1b h PRO 54 N 8.99 0.19 -0.21 4.34 0.11 -1.90 0.34 132.00 143.86 1t1b h PRO 54 Ca -0.23 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 1t1b h PRO 54 Cb 1.07 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1t1b h PRO 54 CO 1.06 0.12 -0.02 0.87 -0.21 0.00 0.00 178.00 179.82 1t1b h LYS 55 N 0.19 0.31 0.00 1.05 6.56 -1.91 -2.77 116.57 120.00 1t1b h LYS 55 Ca 0.53 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 60.07 1t1b h LYS 55 Cb 1.06 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.67 1t1b h LYS 55 CO -0.66 0.36 0.00 1.04 -2.06 0.00 0.00 179.45 178.13 1t1b n GLN 56 N -4.35 0.26 -0.00 3.15 6.02 0.12 -3.39 117.38 119.19 1t1b n GLN 56 Ca 0.00 0.22 0.10 0.00 -0.01 0.00 0.00 57.00 57.31 1t1b n GLN 56 Cb 0.20 -1.80 -0.14 0.00 1.02 0.00 0.00 30.24 29.52 1t1b n GLN 56 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1t1b n VAL 57 N -2.25 0.00 -1.83 5.09 0.24 -1.05 -4.87 118.33 113.66 1t1b n VAL 57 Ca 0.05 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.34 61.77 1t1b n VAL 57 Cb 0.42 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.43 1t1b n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1t1b s ILE 58 N -3.17 2.29 0.00 1.34 -1.09 -1.17 -1.28 121.20 118.12 1t1b s ILE 58 Ca 0.03 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1t1b s ILE 58 Cb 0.15 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1t1b s ILE 58 CO 0.88 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 175.22 1t1b n GLY 59 N 3.55 1.48 3.89 6.18 0.00 0.56 -5.01 105.19 115.85 1t1b n GLY 59 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1t1b n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t1b s LYS 60 N -0.94 3.25 -0.21 1.61 1.02 -0.40 -4.64 119.74 119.42 1t1b s LYS 60 Ca 0.00 0.41 -0.21 0.00 0.02 0.00 0.00 55.97 56.18 1t1b s LYS 60 Cb 0.00 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 1t1b s LYS 60 CO 0.00 -0.65 0.67 1.21 -0.92 0.00 0.00 175.35 175.66 1t1b s ASN 61 N -4.24 6.70 0.12 2.83 3.84 -1.26 -0.79 114.94 122.14 1t1b s ASN 61 Ca 0.54 0.86 -0.19 0.00 0.21 0.00 0.00 52.86 54.28 1t1b s ASN 61 Cb -0.11 -2.37 -0.05 0.00 -0.55 0.00 0.00 41.25 38.18 1t1b s ASN 61 CO 0.50 -0.33 1.74 0.15 -2.79 0.00 0.00 177.10 176.36 1t1b h PHE 62 N 7.58 0.35 -0.05 0.43 3.57 -1.19 -1.46 116.94 126.18 1t1b h PHE 62 Ca -0.29 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.02 1t1b h PHE 62 Cb 1.13 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1t1b h PHE 62 CO 0.73 0.28 -0.75 0.74 -2.23 0.00 0.00 178.31 177.07 1t1b h PHE 63 N 0.32 0.42 0.02 0.41 0.04 -1.82 0.34 116.94 116.68 1t1b h PHE 63 Ca 0.09 -0.19 -0.19 0.00 2.80 0.00 0.00 57.97 60.48 1t1b h PHE 63 Cb 0.04 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1t1b h PHE 63 CO -0.04 0.95 -1.04 -0.22 -0.60 0.00 0.00 178.31 177.36 1t1b h LYS 64 N 0.20 0.05 0.00 1.51 3.64 -1.87 -3.36 116.57 116.74 1t1b h LYS 64 Ca -0.03 -0.08 -0.38 0.00 -1.27 0.00 0.00 60.65 58.88 1t1b h LYS 64 Cb 1.33 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.12 1t1b h LYS 64 CO 0.12 1.04 -2.27 -0.25 -2.27 0.00 0.00 179.45 175.82 1t1b n ASP 65 N -4.36 1.69 0.05 4.20 8.00 -0.60 -4.69 116.55 120.85 1t1b n ASP 65 Ca -0.26 0.29 -0.22 0.00 0.71 0.00 0.00 54.79 55.31 1t1b n ASP 65 Cb 0.69 -0.70 -0.15 0.00 -0.02 0.00 0.00 41.12 40.94 1t1b n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1t1b h VAL 66 N -0.86 1.16 -2.03 2.53 2.07 -1.43 -3.43 116.25 114.27 1t1b h VAL 66 Ca -0.58 -2.50 -0.55 0.00 0.82 0.00 0.00 66.70 63.89 1t1b h VAL 66 Cb 1.50 2.89 -0.40 0.00 -1.52 0.00 0.00 31.29 33.77 1t1b h VAL 66 CO -0.35 0.76 -1.07 0.00 0.02 0.00 0.00 177.57 176.93 1t1b n ALA 67 N -2.84 2.55 0.22 1.67 0.00 0.12 -4.95 120.51 117.29 1t1b n ALA 67 Ca -0.21 -3.56 0.15 0.00 0.00 0.00 0.00 53.44 49.81 1t1b n ALA 67 Cb 0.95 -0.84 0.79 0.00 0.00 0.00 0.00 19.45 20.35 1t1b n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t1b h PRO 68 N 3.76 0.00 0.00 0.00 0.13 -1.74 -0.22 132.00 133.93 1t1b h PRO 68 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1t1b h PRO 68 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1t1b h PRO 68 CO 0.51 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.28 1t1b n THR 70 N -2.51 0.01 -2.69 0.00 -2.24 -0.09 -4.67 114.28 102.09 1t1b n THR 70 Ca -0.01 -0.35 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 1t1b n THR 70 Cb 0.13 0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1t1b n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1t1b s ASP 71 N -1.98 6.86 0.09 3.42 2.15 -0.01 -1.70 116.67 125.50 1t1b s ASP 71 Ca 0.34 -2.49 -0.24 0.00 0.43 0.00 0.00 52.55 50.60 1t1b s ASP 71 Cb 0.21 -2.52 0.06 0.00 -0.30 0.00 0.00 42.92 40.37 1t1b s ASP 71 CO 0.32 -1.08 0.58 -0.55 -0.17 0.00 0.00 175.17 174.26 1t1b s SER 72 N 3.89 -0.52 0.52 -0.34 0.15 -1.26 -4.98 113.70 111.16 1t1b s SER 72 Ca 0.49 0.15 0.23 0.00 0.70 0.00 0.00 55.95 57.52 1t1b s SER 72 Cb 0.01 0.55 1.35 0.00 -1.71 0.00 0.00 66.02 66.23 1t1b s SER 72 CO 0.03 -0.83 2.02 -0.65 1.20 0.00 0.00 173.24 175.02 1t1b h PRO 73 N 2.43 0.02 0.00 5.44 0.11 -1.94 -1.85 132.00 136.20 1t1b h PRO 73 Ca -0.32 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1t1b h PRO 73 Cb 1.25 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1t1b h PRO 73 CO 0.40 0.01 -0.08 0.93 -0.21 0.00 0.00 178.00 179.06 1t1b h GLU 74 N 0.02 0.00 0.00 1.05 3.07 -1.96 -3.08 114.58 113.68 1t1b h GLU 74 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1t1b h GLU 74 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1t1b h GLU 74 CO -0.01 0.08 0.00 0.34 -1.40 0.00 0.00 179.01 178.02 1t1b n PHE 75 N -3.26 0.00 -0.34 4.33 -0.00 -0.96 -4.70 117.46 112.54 1t1b n PHE 75 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1t1b n PHE 75 Cb 0.29 0.19 0.32 0.00 -0.00 0.00 0.00 39.48 40.28 1t1b n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1t1b h TYR 76 N 0.00 1.02 -0.62 -5.13 3.20 -0.62 -1.46 116.97 113.37 1t1b h TYR 76 Ca 0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1t1b h TYR 76 Cb 0.00 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 1t1b h TYR 76 CO 0.00 0.31 0.23 0.78 -1.64 0.00 0.00 178.16 177.84 1t1b h GLY 77 N 0.81 0.98 1.30 1.82 0.00 -1.28 -0.18 103.07 106.52 1t1b h GLY 77 Ca 0.53 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 47.19 1t1b h GLY 77 CO -0.30 0.49 -0.40 0.50 0.00 0.00 0.00 176.54 176.82 1t1b h LYS 78 N 0.90 0.76 0.24 4.80 1.57 -1.21 -2.14 116.57 121.49 1t1b h LYS 78 Ca 0.21 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1t1b h LYS 78 Cb 0.20 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1t1b h LYS 78 CO -0.02 1.02 -0.11 0.35 -0.57 0.00 0.00 179.45 180.13 1t1b h PHE 79 N 0.62 -0.30 -0.59 -1.35 3.57 -0.86 -2.29 116.94 115.75 1t1b h PHE 79 Ca 0.05 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1t1b h PHE 79 Cb 0.96 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 1t1b h PHE 79 CO 0.05 -0.05 0.39 1.57 -2.23 0.00 0.00 178.31 178.04 1t1b h LYS 80 N -0.50 0.45 -0.04 1.11 2.10 -1.04 0.13 116.57 118.78 1t1b h LYS 80 Ca -0.03 -0.03 -0.21 0.00 -2.00 0.00 0.00 60.65 58.38 1t1b h LYS 80 Cb 0.38 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1t1b h LYS 80 CO 0.05 0.30 -0.84 1.49 -2.00 0.00 0.00 179.45 178.45 1t1b h GLU 81 N 0.47 0.41 -0.33 0.07 4.22 -1.15 -2.05 114.58 116.22 1t1b h GLU 81 Ca 0.26 -0.39 -0.10 0.00 0.08 0.00 0.00 59.36 59.22 1t1b h GLU 81 Cb 0.43 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1t1b h GLU 81 CO -0.08 1.04 -0.18 0.78 -2.18 0.00 0.00 179.01 178.40 1t1b h GLY 82 N 1.27 0.77 0.97 1.92 0.00 -0.79 0.15 103.07 107.36 1t1b h GLY 82 Ca -0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 1t1b h GLY 82 CO 0.14 0.64 0.19 -2.08 0.00 0.00 0.00 176.54 175.44 1t1b h VAL 83 N 0.48 1.21 -0.21 4.60 2.07 -0.78 0.68 116.25 124.30 1t1b h VAL 83 Ca 0.07 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 1t1b h VAL 83 Cb 0.72 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1t1b h VAL 83 CO 0.05 0.25 -0.47 0.00 0.02 0.00 0.00 177.57 177.43 1t1b h ALA 84 N 1.04 0.79 0.00 1.67 0.00 -1.24 -2.72 119.26 118.81 1t1b h ALA 84 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1t1b h ALA 84 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1t1b h ALA 84 CO -0.01 0.66 0.00 0.77 0.00 0.00 0.00 179.25 180.67 1t1b h SER 85 N 0.44 0.00 0.00 0.00 0.02 -0.59 -3.47 113.55 109.95 1t1b h SER 85 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1t1b h SER 85 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1t1b h SER 85 CO 0.09 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.39 1t1b n GLY 86 N 1.16 0.53 2.93 -3.77 0.00 0.23 -4.97 105.19 101.29 1t1b n GLY 86 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1t1b n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t1b s ASN 87 N -2.37 0.22 -0.23 1.61 2.20 -0.64 -4.98 114.94 110.76 1t1b s ASN 87 Ca 0.00 -0.19 -0.11 0.00 -0.94 0.00 0.00 52.86 51.62 1t1b s ASN 87 Cb 0.00 0.02 0.08 0.00 -2.00 0.00 0.00 41.25 39.35 1t1b s ASN 87 CO 0.00 -0.09 0.53 -0.22 -2.94 0.00 0.00 177.10 174.38 1t1b s LEU 88 N -0.54 -0.61 -0.38 3.54 2.96 -1.26 -4.22 118.68 118.17 1t1b s LEU 88 Ca -0.05 1.20 0.06 0.00 -0.22 0.00 0.00 54.13 55.12 1t1b s LEU 88 Cb -0.04 1.80 0.18 0.00 0.50 0.00 0.00 46.19 48.63 1t1b s LEU 88 CO -0.00 -0.22 0.55 0.21 -1.32 0.00 0.00 176.35 175.57 1t1b s ASN 89 N 1.91 -0.78 -0.01 3.68 2.47 -1.25 -2.06 114.94 118.90 1t1b s ASN 89 Ca -0.08 -0.82 -0.04 0.00 0.42 0.00 0.00 52.86 52.34 1t1b s ASN 89 Cb -0.09 1.59 -0.00 0.00 -1.45 0.00 0.00 41.25 41.30 1t1b s ASN 89 CO -0.16 -0.22 0.09 0.28 -3.72 0.00 0.00 177.10 173.37 1t1b s THR 90 N 1.92 0.06 -0.02 -5.21 -1.32 -0.46 -5.01 115.64 105.61 1t1b s THR 90 Ca 0.15 -0.50 0.02 0.00 -1.21 0.00 0.00 61.69 60.15 1t1b s THR 90 Cb -0.08 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 1t1b s THR 90 CO -0.10 -0.27 -0.07 -0.32 -2.21 0.00 0.00 174.62 171.65 1t1b s MET 91 N -0.89 0.68 0.11 7.08 0.00 -1.26 -0.64 119.30 124.38 1t1b s MET 91 Ca -0.10 -0.23 -0.25 0.00 0.00 0.00 0.00 55.69 55.11 1t1b s MET 91 Cb -0.06 -0.66 0.08 0.00 0.00 0.00 0.00 34.83 34.19 1t1b s MET 91 CO 0.00 0.10 0.70 -0.59 0.00 0.00 0.00 175.02 175.23 1t1b s PHE 92 N 0.12 -0.47 0.22 4.11 -0.71 0.03 -5.00 117.98 116.27 1t1b s PHE 92 Ca -0.01 0.28 -0.06 0.00 -1.04 0.00 0.00 56.93 56.10 1t1b s PHE 92 Cb -0.06 0.56 -0.06 0.00 -1.21 0.00 0.00 43.02 42.25 1t1b s PHE 92 CO -0.00 -0.75 0.49 -1.21 -1.34 0.00 0.00 175.22 172.40 1t1b s GLU 93 N -3.54 3.67 0.18 1.99 2.02 -1.26 -0.16 118.70 121.60 1t1b s GLU 93 Ca 0.03 0.03 -0.19 0.00 0.02 0.00 0.00 54.97 54.86 1t1b s GLU 93 Cb -0.01 -2.72 0.04 0.00 0.10 0.00 0.00 34.13 31.54 1t1b s GLU 93 CO -0.11 0.34 0.54 -0.47 0.02 0.00 0.00 175.26 175.57 1t1b s TYR 94 N -1.85 -0.26 -0.15 1.61 5.04 -0.47 -4.93 117.35 116.33 1t1b s TYR 94 Ca 0.44 -0.05 0.02 0.00 -2.44 0.00 0.00 57.07 55.03 1t1b s TYR 94 Cb -0.11 0.44 0.01 0.00 0.35 0.00 0.00 41.96 42.65 1t1b s TYR 94 CO 0.25 -0.88 -0.21 0.99 -1.34 0.00 0.00 175.55 174.36 1t1b s THR 95 N -3.83 2.10 -0.25 4.34 2.01 -1.26 -0.76 115.64 117.98 1t1b s THR 95 Ca 0.06 -0.96 -0.20 0.00 0.31 0.00 0.00 61.69 60.90 1t1b s THR 95 Cb -0.01 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 1t1b s THR 95 CO -0.07 0.54 0.61 -0.36 -0.69 0.00 0.00 174.62 174.65 1t1b s PHE 96 N 0.95 3.28 0.00 4.92 0.08 -0.27 -4.90 117.98 122.04 1t1b s PHE 96 Ca -0.04 0.78 0.00 0.00 0.12 0.00 0.00 56.93 57.79 1t1b s PHE 96 Cb -0.15 -2.81 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 1t1b s PHE 96 CO -0.05 -0.31 0.78 -0.40 -0.10 0.00 0.00 175.22 175.14 1t1b n ASP 97 N 5.67 0.00 -4.55 1.36 5.75 -1.26 -0.48 116.55 123.03 1t1b n ASP 97 Ca -0.01 -1.61 -0.43 0.00 -0.01 0.00 0.00 54.79 52.73 1t1b n ASP 97 Cb 0.49 -0.12 -0.06 0.00 -1.03 0.00 0.00 41.12 40.40 1t1b n ASP 97 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1t1b s TYR 98 N 0.00 3.06 -1.89 2.11 5.04 -1.26 -4.08 117.35 120.33 1t1b s TYR 98 Ca 0.00 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.89 1t1b s TYR 98 Cb 0.00 -3.47 0.00 0.00 0.35 0.00 0.00 41.96 38.84 1t1b s TYR 98 CO 0.00 -0.85 0.00 1.04 -1.34 0.00 0.00 175.55 174.40 1t1b n GLN 99 N 6.48 -1.63 -3.85 4.97 6.02 -1.26 -4.95 117.38 123.15 1t1b n GLN 99 Ca 0.01 1.07 -0.09 0.00 -0.01 0.00 0.00 57.00 57.98 1t1b n GLN 99 Cb 0.48 -5.68 -0.05 0.00 1.02 0.00 0.00 30.24 26.02 1t1b n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1t1b s MET 100 N -4.78 1.42 0.20 -1.09 0.23 -1.26 -5.10 119.30 108.93 1t1b s MET 100 Ca 0.00 -1.03 -0.31 0.00 -1.03 0.00 0.00 55.69 53.32 1t1b s MET 100 Cb 0.00 0.49 -0.11 0.00 -1.53 0.00 0.00 34.83 33.68 1t1b s MET 100 CO 0.00 -0.59 1.62 0.99 -2.03 0.00 0.00 175.02 175.00 1t1b s THR 101 N -3.93 2.33 0.01 3.16 2.01 -1.26 -4.71 115.64 113.25 1t1b s THR 101 Ca 0.14 0.25 -0.34 0.00 0.31 0.00 0.00 61.69 62.05 1t1b s THR 101 Cb -0.01 -3.16 -0.13 0.00 0.01 0.00 0.00 72.50 69.22 1t1b s THR 101 CO 0.02 0.02 1.75 -2.65 -0.69 0.00 0.00 174.62 173.07 1t1b n PRO 102 N 3.59 2.13 -4.20 4.92 -0.02 -1.26 -4.75 135.00 135.42 1t1b n PRO 102 Ca 0.13 0.78 -0.26 0.00 -2.02 0.00 0.00 63.50 62.13 1t1b n PRO 102 Cb 0.37 -2.59 -0.17 0.00 -0.02 0.00 0.00 33.50 31.10 1t1b n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t1b s THR 103 N 2.80 1.10 0.05 3.45 2.01 0.37 -4.96 115.64 120.46 1t1b s THR 103 Ca 0.87 -0.39 -0.22 0.00 0.31 0.00 0.00 61.69 62.26 1t1b s THR 103 Cb -0.70 -1.06 -0.06 0.00 0.01 0.00 0.00 72.50 70.69 1t1b s THR 103 CO 0.47 0.37 0.66 -0.75 -0.69 0.00 0.00 174.62 174.68 1t1b s LYS 104 N 1.25 4.38 0.13 4.92 2.20 -1.26 -1.11 119.74 130.25 1t1b s LYS 104 Ca -0.03 0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 56.44 1t1b s LYS 104 Cb -0.14 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1t1b s LYS 104 CO -0.03 0.42 0.10 0.14 -0.36 0.00 0.00 175.35 175.62 1t1b s VAL 105 N -0.45 0.11 -0.25 4.02 -7.23 0.06 -3.17 120.40 113.49 1t1b s VAL 105 Ca 0.33 -1.77 -0.10 0.00 -1.81 0.00 0.00 61.98 58.64 1t1b s VAL 105 Cb -0.20 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1t1b s VAL 105 CO 0.20 -0.48 0.14 -0.75 -0.31 0.00 0.00 175.10 173.90 1t1b s LYS 106 N -4.02 3.90 -0.10 4.82 2.20 -0.02 -1.37 119.74 125.15 1t1b s LYS 106 Ca 0.21 -0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 55.45 1t1b s LYS 106 Cb 0.07 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1t1b s LYS 106 CO 0.00 -0.08 -0.05 0.08 -0.36 0.00 0.00 175.35 174.95 1t1b s VAL 107 N 1.40 3.85 -0.18 4.02 1.01 0.77 -1.94 120.40 129.34 1t1b s VAL 107 Ca 0.06 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1t1b s VAL 107 Cb -0.15 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.65 1t1b s VAL 107 CO 0.06 0.56 -0.06 -2.28 0.00 0.00 0.00 175.10 173.38 1t1b s HIS 108 N -0.35 1.92 -0.15 5.22 2.46 0.61 -0.79 115.29 124.20 1t1b s HIS 108 Ca 0.06 -1.26 -0.04 0.00 0.47 0.00 0.00 55.06 54.28 1t1b s HIS 108 Cb -0.12 -1.41 -0.03 0.00 -0.13 0.00 0.00 32.58 30.89 1t1b s HIS 108 CO 0.02 -0.66 -0.01 -1.64 -2.47 0.00 0.00 174.74 169.98 1t1b s MET 109 N 1.56 3.67 -0.13 2.88 -1.94 0.19 0.07 119.30 125.60 1t1b s MET 109 Ca -0.00 -0.47 -0.13 0.00 -1.71 0.00 0.00 55.69 53.37 1t1b s MET 109 Cb -0.16 -2.97 0.04 0.00 2.01 0.00 0.00 34.83 33.75 1t1b s MET 109 CO -0.08 0.30 0.37 0.21 -0.01 0.00 0.00 175.02 175.81 1t1b s LYS 110 N 0.23 0.46 0.48 2.03 2.20 -0.40 -1.35 119.74 123.39 1t1b s LYS 110 Ca -0.01 0.46 -0.24 0.00 -0.36 0.00 0.00 55.97 55.82 1t1b s LYS 110 Cb -0.13 0.22 -0.07 0.00 -1.51 0.00 0.00 37.83 36.34 1t1b s LYS 110 CO 0.02 -0.06 1.30 0.21 -0.36 0.00 0.00 175.35 176.46 1t1b s LYS 111 N 0.06 3.58 0.44 4.03 2.20 -0.88 -0.51 119.74 128.66 1t1b s LYS 111 Ca -0.01 2.12 -0.09 0.00 -0.36 0.00 0.00 55.97 57.63 1t1b s LYS 111 Cb -0.03 -2.48 -0.06 0.00 -1.51 0.00 0.00 37.83 33.76 1t1b s LYS 111 CO 0.01 -0.80 0.80 0.00 -0.36 0.00 0.00 175.35 174.99 1t1b s ALA 112 N -1.34 3.34 0.12 3.13 0.00 -0.30 -4.79 121.76 121.91 1t1b s ALA 112 Ca 0.64 -0.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 1t1b s ALA 112 Cb -0.37 -2.71 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 1t1b s ALA 112 CO 0.46 -0.14 1.65 1.25 0.00 0.00 0.00 175.76 178.98 1t1b h LEU 113 N 0.91 -0.63 -9.92 0.00 7.12 -1.86 -3.44 115.31 107.49 1t1b h LEU 113 Ca -0.47 0.08 -0.50 0.00 0.13 0.00 0.00 57.88 57.12 1t1b h LEU 113 Cb 1.19 0.25 0.22 0.00 -0.53 0.00 0.00 40.66 41.79 1t1b h LEU 113 CO 0.63 -0.29 -0.42 -1.20 -0.13 0.00 0.00 178.44 177.03 1t1b n SER 114 N -5.34 -1.54 0.00 1.25 7.64 -1.26 -4.98 113.62 109.38 1t1b n SER 114 Ca -0.05 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1t1b n SER 114 Cb 0.26 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1t1b n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t1b n GLY 115 N 1.26 0.00 2.70 0.23 0.00 -1.26 -3.90 105.19 104.22 1t1b n GLY 115 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1t1b n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t1b n ASP 116 N 0.00 7.02 -4.14 1.61 2.03 -1.26 -4.91 116.55 116.90 1t1b n ASP 116 Ca 0.00 -3.66 -0.18 0.00 0.52 0.00 0.00 54.79 51.47 1t1b n ASP 116 Cb 0.00 -1.13 -0.13 0.00 -0.72 0.00 0.00 41.12 39.15 1t1b n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1t1b s SER 117 N -1.57 1.56 0.01 1.67 1.04 -1.25 -3.05 113.70 112.12 1t1b s SER 117 Ca 0.39 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.30 1t1b s SER 117 Cb 0.18 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1t1b s SER 117 CO -0.11 -0.04 -0.05 -0.31 0.98 0.00 0.00 173.24 173.71 1t1b s TYR 118 N -1.08 0.45 -0.05 5.02 1.51 0.28 -1.15 117.35 122.33 1t1b s TYR 118 Ca -0.01 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 55.84 1t1b s TYR 118 Cb -0.09 -0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 41.44 1t1b s TYR 118 CO 0.02 -0.03 0.12 -1.58 -1.11 0.00 0.00 175.55 172.97 1t1b s TRP 119 N -0.40 3.44 -0.24 2.71 0.52 0.33 0.03 118.94 125.34 1t1b s TRP 119 Ca -0.01 0.35 0.00 0.00 0.02 0.00 0.00 56.10 56.46 1t1b s TRP 119 Cb -0.04 -1.83 0.06 0.00 -1.15 0.00 0.00 33.47 30.52 1t1b s TRP 119 CO -0.00 0.63 -0.03 0.08 0.02 0.00 0.00 176.95 177.64 1t1b s VAL 120 N -1.15 1.41 -0.12 4.03 1.01 0.57 -1.27 120.40 124.88 1t1b s VAL 120 Ca 0.21 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 1t1b s VAL 120 Cb -0.12 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1t1b s VAL 120 CO 0.11 -0.16 0.08 -0.36 0.00 0.00 0.00 175.10 174.77 1t1b s PHE 121 N 1.44 3.38 -0.02 5.22 0.08 0.11 -1.22 117.98 126.97 1t1b s PHE 121 Ca -0.04 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.35 1t1b s PHE 121 Cb -0.19 -1.92 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1t1b s PHE 121 CO -0.07 0.53 -0.04 0.08 -0.10 0.00 0.00 175.22 175.61 1t1b s VAL 122 N -0.69 0.41 0.04 -0.44 1.01 -0.73 -0.29 120.40 119.73 1t1b s VAL 122 Ca 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1t1b s VAL 122 Cb -0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1t1b s VAL 122 CO 0.02 0.15 0.11 -1.59 0.00 0.00 0.00 175.10 173.80 1t1b s LYS 123 N 0.30 0.63 0.44 2.72 -2.85 -0.82 -0.07 119.74 120.09 1t1b s LYS 123 Ca -0.03 -0.78 -0.23 0.00 -1.00 0.00 0.00 55.97 53.92 1t1b s LYS 123 Cb -0.07 0.25 -0.08 0.00 -2.06 0.00 0.00 37.83 35.87 1t1b s LYS 123 CO -0.00 -0.17 1.11 1.03 0.10 0.00 0.00 175.35 177.42 1t1b s ARG 124 N -2.82 3.91 0.00 1.78 0.52 -1.26 -0.84 118.95 120.23 1t1b s ARG 124 Ca -0.03 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 56.83 1t1b s ARG 124 Cb 0.00 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 33.04 1t1b s ARG 124 CO -0.05 -0.39 0.31 1.33 0.02 0.00 0.00 175.30 176.51