#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4i n THR 4 N 0.00 0.00 -1.65 4.37 -2.24 -1.26 -4.74 114.28 108.75 3i4i n THR 4 Ca 0.00 -2.23 -0.46 0.00 -2.27 0.00 0.00 64.05 59.09 3i4i n THR 4 Cb 0.00 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 3i4i n THR 4 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3i4i n HIS 5 N -0.83 2.05 -5.18 4.78 -0.00 -1.26 -4.65 115.22 110.12 3i4i n HIS 5 Ca -0.04 0.44 -0.31 0.00 0.46 0.00 0.00 57.72 58.27 3i4i n HIS 5 Cb 0.57 -2.45 -0.16 0.00 -0.12 0.00 0.00 29.99 27.83 3i4i n HIS 5 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 3i4i s PHE 6 N 0.16 2.31 0.01 1.57 2.19 -0.46 -5.00 117.98 118.77 3i4i s PHE 6 Ca 0.72 -0.72 0.00 0.00 0.33 0.00 0.00 56.93 57.27 3i4i s PHE 6 Cb -0.70 -1.53 -0.01 0.00 -1.31 0.00 0.00 43.02 39.47 3i4i s PHE 6 CO 0.47 -0.23 -0.03 0.20 1.83 0.00 0.00 175.22 177.46 3i4i s GLY 7 N -0.07 0.20 -0.10 13.12 0.00 -1.26 -0.89 107.32 118.31 3i4i s GLY 7 Ca -0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 44.72 44.24 3i4i s GLY 7 CO 0.04 -0.41 0.23 1.85 0.00 0.00 0.00 173.10 174.81 3i4i s GLU 8 N -0.85 0.18 0.00 2.90 2.56 -0.74 -5.02 118.70 117.74 3i4i s GLU 8 Ca -0.08 0.54 0.12 0.00 0.00 0.00 0.00 54.97 55.55 3i4i s GLU 8 Cb -0.06 -0.12 0.05 0.00 2.00 0.00 0.00 34.13 36.00 3i4i s GLU 8 CO -0.00 -0.18 0.79 0.41 -0.56 0.00 0.00 175.26 175.71 3i4i n GLY 9 N 4.39 -0.21 2.97 -1.50 0.00 -1.26 -1.33 105.19 108.25 3i4i n GLY 9 Ca -0.23 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 3i4i n GLY 9 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i4i n PHE 10 N 0.27 -1.98 0.03 1.61 3.72 -1.26 -4.54 117.46 115.31 3i4i n PHE 10 Ca 0.06 0.66 -0.14 0.00 -0.05 0.00 0.00 57.45 57.98 3i4i n PHE 10 Cb 0.27 -3.92 -0.14 0.00 -0.94 0.00 0.00 39.48 34.74 3i4i n PHE 10 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3i4i h ASP 11 N -1.77 0.25 -3.76 4.37 3.45 -1.93 -3.35 116.42 113.68 3i4i h ASP 11 Ca -0.42 -0.42 -0.20 0.00 0.43 0.00 0.00 57.03 56.43 3i4i h ASP 11 Cb 1.28 -0.08 -0.27 0.00 -0.56 0.00 0.00 39.33 39.70 3i4i h ASP 11 CO 0.42 1.36 -0.56 -0.31 -1.57 0.00 0.00 179.24 178.58 3i4i s TYR 12 N -2.61 -0.15 -0.45 4.55 4.12 -1.26 -4.77 117.35 116.78 3i4i s TYR 12 Ca -0.09 0.37 -0.27 0.00 0.02 0.00 0.00 57.07 57.10 3i4i s TYR 12 Cb 0.07 0.05 0.03 0.00 -1.52 0.00 0.00 41.96 40.58 3i4i s TYR 12 CO 0.83 -0.08 1.04 -0.47 0.02 0.00 0.00 175.55 176.89 3i4i s TYR 13 N 0.13 2.91 -0.30 2.71 5.04 -1.26 -4.99 117.35 121.58 3i4i s TYR 13 Ca -0.00 0.65 -0.05 0.00 -2.44 0.00 0.00 57.07 55.22 3i4i s TYR 13 Cb -0.01 -4.13 0.02 0.00 0.35 0.00 0.00 41.96 38.19 3i4i s TYR 13 CO -0.00 -1.12 0.05 0.34 -1.34 0.00 0.00 175.55 173.48 3i4i s ASP 14 N 2.26 5.01 0.24 4.32 -1.08 -1.26 -4.96 116.67 121.19 3i4i s ASP 14 Ca 0.43 -0.88 0.26 0.00 -0.52 0.00 0.00 52.55 51.83 3i4i s ASP 14 Cb -0.09 -1.83 0.84 0.00 -1.46 0.00 0.00 42.92 40.38 3i4i s ASP 14 CO 0.27 -0.22 1.76 0.77 0.52 0.00 0.00 175.17 178.27 3i4i h SER 15 N 8.17 0.00 1.47 -0.34 4.64 -1.95 -0.04 113.55 125.50 3i4i h SER 15 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3i4i h SER 15 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3i4i h SER 15 CO 0.59 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 178.11 3i4i h GLN 16 N 0.00 0.00 0.00 4.77 4.20 -2.03 -3.37 115.11 118.68 3i4i h GLN 16 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3i4i h GLN 16 Cb 0.67 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 3i4i h GLN 16 CO 0.00 0.00 -1.48 1.28 -0.67 0.00 0.00 178.83 177.96 3i4i n LEU 17 N -2.84 2.17 -4.34 1.46 4.77 -0.69 -4.76 117.00 112.77 3i4i n LEU 17 Ca 0.03 -0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 3i4i n LEU 17 Cb 0.41 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.22 3i4i n LEU 17 CO 0.30 0.51 -0.47 0.26 -1.33 0.00 0.00 177.39 176.66 3i4i s TRP 18 N -2.17 1.81 -0.07 -1.77 0.52 -0.11 -1.06 118.94 116.08 3i4i s TRP 18 Ca -0.09 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.56 3i4i s TRP 18 Cb 0.03 -0.89 0.02 0.00 -1.15 0.00 0.00 33.47 31.48 3i4i s TRP 18 CO 0.22 0.35 -0.11 -2.00 0.02 0.00 0.00 176.95 175.42 3i4i s GLU 19 N -2.97 1.64 -0.54 4.98 2.12 0.49 -4.44 118.70 119.99 3i4i s GLU 19 Ca 0.17 -0.38 -0.27 0.00 0.36 0.00 0.00 54.97 54.85 3i4i s GLU 19 Cb -0.05 -1.41 0.03 0.00 0.26 0.00 0.00 34.13 32.96 3i4i s GLU 19 CO 0.07 -0.02 1.09 0.15 -0.54 0.00 0.00 175.26 176.01 3i4i s LYS 20 N 0.83 3.51 0.30 4.30 1.02 -1.26 -0.73 119.74 127.71 3i4i s LYS 20 Ca -0.11 0.18 -0.29 0.00 0.02 0.00 0.00 55.97 55.77 3i4i s LYS 20 Cb -0.15 -3.99 -0.13 0.00 -0.52 0.00 0.00 37.83 33.03 3i4i s LYS 20 CO 0.02 -1.52 1.24 0.00 -0.92 0.00 0.00 175.35 174.16 3i4i n ALA 21 N 7.95 0.76 -3.42 5.17 0.00 -0.12 -4.71 120.51 126.13 3i4i n ALA 21 Ca 0.07 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.87 3i4i n ALA 21 Cb 0.49 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 3i4i n ALA 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i4i s ASP 22 N -0.22 -0.70 0.00 0.00 2.15 -1.26 -2.39 116.67 114.26 3i4i s ASP 22 Ca 0.60 0.91 0.00 0.00 0.43 0.00 0.00 52.55 54.49 3i4i s ASP 22 Cb -0.64 1.77 0.00 0.00 -0.30 0.00 0.00 42.92 43.76 3i4i s ASP 22 CO 0.58 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.94 3i4i n GLY 23 N 5.41 0.48 3.20 2.66 0.00 0.54 -4.96 105.19 112.52 3i4i n GLY 23 Ca -0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 3i4i n GLY 23 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3i4i s TRP 24 N -2.00 0.30 0.33 1.61 -2.14 -1.26 -4.96 118.94 110.82 3i4i s TRP 24 Ca 0.00 -0.74 0.05 0.00 2.66 0.00 0.00 56.10 58.07 3i4i s TRP 24 Cb 0.00 -0.15 -0.06 0.00 -3.10 0.00 0.00 33.47 30.16 3i4i s TRP 24 CO 0.00 -0.53 0.04 0.20 -2.66 0.00 0.00 176.95 173.99 3i4i s GLY 25 N -2.90 2.09 0.11 3.67 0.00 -1.26 0.48 107.32 109.51 3i4i s GLY 25 Ca 0.08 -2.07 0.23 0.00 0.00 0.00 0.00 44.72 42.96 3i4i s GLY 25 CO -0.09 -1.86 1.72 0.70 0.00 0.00 0.00 173.10 173.58 3i4i n ASN 26 N -0.71 0.35 -0.09 1.64 3.02 -1.26 -4.99 115.26 113.22 3i4i n ASN 26 Ca -0.03 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 3i4i n ASN 26 Cb 0.66 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3i4i n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i4i n GLY 27 N 0.72 0.49 7.00 7.41 0.00 -1.26 -4.90 105.19 114.64 3i4i n GLY 27 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3i4i n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4i n GLY 28 N 0.00 3.53 0.11 -0.02 0.00 -1.26 -1.34 105.19 106.20 3i4i n GLY 28 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3i4i n GLY 28 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i4i n VAL 29 N 0.00 0.74 -2.34 1.61 0.24 -1.26 -4.62 118.33 112.71 3i4i n VAL 29 Ca 0.00 0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.97 3i4i n VAL 29 Cb 0.00 -0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 31.38 3i4i n VAL 29 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3i4i s PHE 30 N -3.22 2.26 -0.43 6.34 0.40 -0.45 -0.60 117.98 122.29 3i4i s PHE 30 Ca 0.07 0.57 -0.03 0.00 -0.60 0.00 0.00 56.93 56.94 3i4i s PHE 30 Cb 0.11 -4.34 0.14 0.00 0.51 0.00 0.00 43.02 39.44 3i4i s PHE 30 CO 0.44 -2.04 2.47 -1.71 0.70 0.00 0.00 175.22 175.08 3i4i n ASN 31 N 9.53 6.56 -3.65 1.36 5.15 0.52 -4.28 115.26 130.45 3i4i n ASN 31 Ca 0.15 -3.20 -0.13 0.00 -0.60 0.00 0.00 54.58 50.79 3i4i n ASN 31 Cb 0.49 -1.16 -0.06 0.00 -0.53 0.00 0.00 39.78 38.52 3i4i n ASN 31 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i4i s ILE 33 N -2.32 5.03 0.13 0.00 -1.09 -0.92 -4.48 121.20 117.55 3i4i s ILE 33 Ca -0.06 0.15 -0.30 0.00 -2.23 0.00 0.00 60.65 58.21 3i4i s ILE 33 Cb -0.01 -3.68 -0.06 0.00 -1.58 0.00 0.00 42.46 37.12 3i4i s ILE 33 CO -0.01 -0.19 1.01 0.26 -1.23 0.00 0.00 174.94 174.78 3i4i s TRP 34 N -1.93 3.74 -0.11 3.97 0.23 0.18 -1.10 118.94 123.91 3i4i s TRP 34 Ca 0.44 1.73 0.02 0.00 -2.03 0.00 0.00 56.10 56.26 3i4i s TRP 34 Cb -0.11 -3.13 0.01 0.00 0.03 0.00 0.00 33.47 30.28 3i4i s TRP 34 CO 0.27 -0.07 -0.16 1.03 0.96 0.00 0.00 176.95 178.98 3i4i s ARG 35 N -0.10 2.31 0.53 4.98 1.81 -0.77 -0.34 118.95 127.37 3i4i s ARG 35 Ca 0.48 -0.60 0.24 0.00 -1.72 0.00 0.00 55.73 54.14 3i4i s ARG 35 Cb -0.25 -1.95 1.38 0.00 -0.45 0.00 0.00 34.95 33.67 3i4i s ARG 35 CO 0.31 -0.06 2.01 0.00 -0.68 0.00 0.00 175.30 176.88 3i4i h ALA 36 N 7.41 2.45 0.00 2.13 0.00 -1.75 0.13 119.26 129.63 3i4i h ALA 36 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i4i h ALA 36 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i4i h ALA 36 CO 0.50 -0.59 0.00 2.48 0.00 0.00 0.00 179.25 181.64 3i4i n TYR 37 N -4.39 0.64 0.51 0.00 0.18 -1.26 -2.15 117.16 110.69 3i4i n TYR 37 Ca 0.09 0.29 0.07 0.00 1.88 0.00 0.00 57.90 60.23 3i4i n TYR 37 Cb 0.56 -0.97 0.20 0.00 -0.38 0.00 0.00 39.34 38.75 3i4i n TYR 37 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 3i4i n ASN 38 N -2.12 2.53 -4.23 9.48 5.03 0.03 -4.77 115.26 121.20 3i4i n ASN 38 Ca 0.01 -2.07 -0.33 0.00 0.87 0.00 0.00 54.58 53.05 3i4i n ASN 38 Cb 0.12 -0.33 -0.15 0.00 -1.02 0.00 0.00 39.78 38.40 3i4i n ASN 38 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i4i s ILE 39 N -1.49 2.64 -0.07 2.41 1.01 -0.91 -1.22 121.20 123.58 3i4i s ILE 39 Ca 0.30 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3i4i s ILE 39 Cb 0.16 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3i4i s ILE 39 CO 0.19 0.50 -0.13 -0.70 0.00 0.00 0.00 174.94 174.80 3i4i s GLU 40 N 1.07 1.80 -0.32 2.79 2.12 -0.42 -5.01 118.70 120.73 3i4i s GLU 40 Ca -0.00 -0.46 -0.11 0.00 0.36 0.00 0.00 54.97 54.76 3i4i s GLU 40 Cb -0.14 -1.47 -0.01 0.00 0.26 0.00 0.00 34.13 32.76 3i4i s GLU 40 CO -0.04 0.05 0.18 -0.51 -0.54 0.00 0.00 175.26 174.40 3i4i s LEU 41 N 0.60 4.26 -0.07 2.70 1.02 -1.26 -0.05 118.68 125.87 3i4i s LEU 41 Ca -0.14 -0.49 -0.03 0.00 0.02 0.00 0.00 54.13 53.49 3i4i s LEU 41 Cb -0.16 -2.05 0.04 0.00 0.02 0.00 0.00 46.19 44.05 3i4i s LEU 41 CO 0.04 -0.21 0.14 -0.75 0.02 0.00 0.00 176.35 175.59 3i4i s LYS 42 N 1.65 0.02 -0.87 1.70 2.20 -0.51 -4.90 119.74 119.03 3i4i s LYS 42 Ca 0.05 0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 56.16 3i4i s LYS 42 Cb -0.17 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 35.84 3i4i s LYS 42 CO 0.08 -0.30 0.13 -0.25 -0.36 0.00 0.00 175.35 174.65 3i4i n ASP 43 N 5.21 -3.70 -1.30 1.43 8.00 -1.26 -2.00 116.55 122.93 3i4i n ASP 43 Ca -0.07 -0.07 -0.15 0.00 0.71 0.00 0.00 54.79 55.22 3i4i n ASP 43 Cb 0.50 -2.80 -0.05 0.00 -0.02 0.00 0.00 41.12 38.76 3i4i n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4i n GLY 44 N -1.07 0.96 3.29 0.44 0.00 -1.26 -5.04 105.19 102.52 3i4i n GLY 44 Ca -0.10 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3i4i n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i4i s ILE 45 N -2.61 2.29 -0.20 -0.61 -1.09 -0.85 -4.66 121.20 113.48 3i4i s ILE 45 Ca 0.00 -0.97 -0.25 0.00 -2.23 0.00 0.00 60.65 57.20 3i4i s ILE 45 Cb 0.00 -1.86 -0.01 0.00 -1.58 0.00 0.00 42.46 39.00 3i4i s ILE 45 CO 0.00 0.56 0.82 -0.22 -1.23 0.00 0.00 174.94 174.87 3i4i s LEU 46 N -0.06 4.14 -0.15 2.97 2.96 0.13 -1.42 118.68 127.23 3i4i s LEU 46 Ca -0.06 1.10 -0.00 0.00 -0.22 0.00 0.00 54.13 54.95 3i4i s LEU 46 Cb -0.14 -3.20 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 3i4i s LEU 46 CO 0.05 -0.44 -0.13 0.20 -1.32 0.00 0.00 176.35 174.71 3i4i s ASN 47 N 1.23 3.88 -0.12 3.68 0.01 0.92 -0.24 114.94 124.30 3i4i s ASN 47 Ca 0.36 -0.41 0.01 0.00 -0.71 0.00 0.00 52.86 52.12 3i4i s ASN 47 Cb -0.16 -1.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.88 3i4i s ASN 47 CO 0.10 0.10 -0.16 -0.76 -1.51 0.00 0.00 177.10 174.87 3i4i s LEU 48 N 0.74 2.53 0.13 0.60 1.43 0.96 -1.30 118.68 123.78 3i4i s LEU 48 Ca -0.06 -0.39 0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3i4i s LEU 48 Cb -0.15 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3i4i s LEU 48 CO 0.01 0.17 -0.26 -0.44 0.23 0.00 0.00 176.35 176.06 3i4i s SER 49 N 0.33 3.22 -0.23 2.29 0.01 -0.35 -0.10 113.70 118.87 3i4i s SER 49 Ca -0.13 -0.76 -0.11 0.00 1.31 0.00 0.00 55.95 56.26 3i4i s SER 49 Cb -0.16 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 3i4i s SER 49 CO 0.07 0.15 0.19 -0.63 0.41 0.00 0.00 173.24 173.43 3i4i s ILE 50 N -1.16 5.35 0.40 1.44 1.01 -0.41 -3.54 121.20 124.28 3i4i s ILE 50 Ca 0.14 0.25 0.04 0.00 0.00 0.00 0.00 60.65 61.08 3i4i s ILE 50 Cb -0.10 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 3i4i s ILE 50 CO 0.06 0.35 0.15 0.42 0.00 0.00 0.00 174.94 175.92 3i4i s THR 51 N 0.96 0.50 0.33 2.92 -4.23 -0.53 -3.10 115.64 112.48 3i4i s THR 51 Ca 0.09 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.34 3i4i s THR 51 Cb -0.13 -2.36 -0.09 0.00 1.34 0.00 0.00 72.50 71.25 3i4i s THR 51 CO 0.04 0.00 1.01 -1.81 -0.54 0.00 0.00 174.62 173.32 3i4i s ASP 52 N -3.57 7.18 0.82 3.99 -0.00 -1.26 -0.67 116.67 123.16 3i4i s ASP 52 Ca 0.26 2.00 -0.09 0.00 -0.00 0.00 0.00 52.55 54.72 3i4i s ASP 52 Cb 0.02 -2.59 0.14 0.00 -0.00 0.00 0.00 42.92 40.49 3i4i s ASP 52 CO 0.16 -0.19 1.14 -0.62 -0.00 0.00 0.00 175.17 175.67 3i4i s ASP 53 N -1.40 3.92 0.66 0.27 -1.08 0.10 -4.47 116.67 114.67 3i4i s ASP 53 Ca 0.50 0.11 -0.17 0.00 -0.52 0.00 0.00 52.55 52.48 3i4i s ASP 53 Cb -0.23 -0.40 -0.00 0.00 -1.46 0.00 0.00 42.92 40.83 3i4i s ASP 53 CO 0.29 -2.18 1.19 -0.04 0.52 0.00 0.00 175.17 174.95 3i4i s MET 54 N -5.50 2.61 0.41 4.34 -1.94 -1.26 -4.92 119.30 113.05 3i4i s MET 54 Ca 0.68 1.72 0.08 0.00 -1.71 0.00 0.00 55.69 56.46 3i4i s MET 54 Cb -0.06 -1.90 0.89 0.00 2.01 0.00 0.00 34.83 35.77 3i4i s MET 54 CO 0.48 -1.46 2.05 -1.35 -0.01 0.00 0.00 175.02 174.73 3i4i h PRO 55 N 0.27 0.51 -0.21 2.03 0.11 -1.96 -0.97 132.00 131.79 3i4i h PRO 55 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i4i h PRO 55 Cb 1.29 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i4i h PRO 55 CO 0.53 0.34 0.00 0.43 -0.21 0.00 0.00 178.00 179.09 3i4i n SER 56 N -4.48 2.41 -4.77 -2.05 7.64 -1.26 -4.91 113.62 106.20 3i4i n SER 56 Ca 0.04 -1.82 -0.41 0.00 1.01 0.00 0.00 58.87 57.69 3i4i n SER 56 Cb 0.10 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3i4i n SER 56 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3i4i n SER 57 N 0.82 3.86 0.21 6.43 2.88 -0.37 -4.90 113.62 122.55 3i4i n SER 57 Ca 0.17 1.21 0.15 0.00 -1.33 0.00 0.00 58.87 59.07 3i4i n SER 57 Cb 0.46 -1.62 0.70 0.00 -0.75 0.00 0.00 64.21 62.99 3i4i n SER 57 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3i4i h SER 58 N 3.48 0.00 -2.38 -3.46 4.64 -1.91 -3.45 113.55 110.47 3i4i h SER 58 Ca -0.50 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.24 3i4i h SER 58 Cb 1.24 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.21 3i4i h SER 58 CO 0.68 0.00 -0.68 -0.54 -0.87 0.00 0.00 176.83 175.42 3i4i s LYS 59 N -3.61 2.15 0.00 4.77 -0.14 -1.26 -5.05 119.74 116.60 3i4i s LYS 59 Ca 0.00 -1.44 0.26 0.00 -1.36 0.00 0.00 55.97 53.43 3i4i s LYS 59 Cb 0.09 -2.10 0.64 0.00 -1.68 0.00 0.00 37.83 34.78 3i4i s LYS 59 CO 0.39 0.38 1.51 -0.35 -0.76 0.00 0.00 175.35 176.51 3i4i n PRO 60 N -0.64 0.03 -4.26 -1.68 -0.04 -1.26 -4.64 135.00 122.50 3i4i n PRO 60 Ca -0.07 -0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.19 3i4i n PRO 60 Cb 0.58 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 3i4i n PRO 60 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i4i s TYR 61 N -2.98 1.45 -0.14 0.54 2.02 -1.25 -0.72 117.35 116.27 3i4i s TYR 61 Ca 0.12 -0.57 -0.02 0.00 -0.37 0.00 0.00 57.07 56.22 3i4i s TYR 61 Cb 0.18 -0.74 -0.02 0.00 -0.40 0.00 0.00 41.96 40.97 3i4i s TYR 61 CO 0.67 0.17 -0.06 0.00 -1.57 0.00 0.00 175.55 174.75 3i4i s ALA 62 N -2.35 2.91 0.00 3.71 0.00 0.15 -2.18 121.76 124.00 3i4i s ALA 62 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3i4i s ALA 62 Cb -0.04 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.64 3i4i s ALA 62 CO 0.03 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.46 3i4i n GLY 63 N 3.40 3.76 2.94 0.00 0.00 -0.26 -1.45 105.19 113.58 3i4i n GLY 63 Ca -0.18 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 3i4i n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4i s ALA 64 N -2.00 0.01 -0.13 4.61 0.00 -1.15 -1.84 121.76 121.26 3i4i s ALA 64 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 3i4i s ALA 64 Cb 0.00 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.23 3i4i s ALA 64 CO 0.00 -0.08 0.29 -2.00 0.00 0.00 0.00 175.76 173.97 3i4i s GLU 65 N -0.67 0.21 -0.15 0.00 2.12 -1.26 -1.23 118.70 117.73 3i4i s GLU 65 Ca -0.07 0.71 -0.01 0.00 0.36 0.00 0.00 54.97 55.95 3i4i s GLU 65 Cb -0.05 -0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.30 3i4i s GLU 65 CO -0.00 -0.23 -0.10 -0.47 -0.54 0.00 0.00 175.26 173.92 3i4i s TYR 66 N 1.93 2.87 0.05 5.30 5.04 0.10 -0.95 117.35 131.69 3i4i s TYR 66 Ca -0.04 -0.68 0.02 0.00 -2.44 0.00 0.00 57.07 53.94 3i4i s TYR 66 Cb -0.11 -1.91 -0.03 0.00 0.35 0.00 0.00 41.96 40.27 3i4i s TYR 66 CO -0.09 -0.26 -0.08 -0.98 -1.34 0.00 0.00 175.55 172.79 3i4i s ARG 67 N 0.58 0.57 0.51 4.97 3.03 0.09 -0.45 118.95 128.24 3i4i s ARG 67 Ca -0.07 -0.81 -0.20 0.00 2.03 0.00 0.00 55.73 56.68 3i4i s ARG 67 Cb -0.15 -0.31 -0.07 0.00 -1.03 0.00 0.00 34.95 33.39 3i4i s ARG 67 CO 0.03 0.05 1.10 0.95 -1.13 0.00 0.00 175.30 176.30 3i4i s THR 68 N -1.56 3.39 0.18 4.99 -4.23 -0.48 0.19 115.64 118.12 3i4i s THR 68 Ca -0.08 0.89 0.02 0.00 -1.18 0.00 0.00 61.69 61.34 3i4i s THR 68 Cb -0.09 -3.37 -0.12 0.00 1.34 0.00 0.00 72.50 70.27 3i4i s THR 68 CO 0.00 -0.17 1.43 0.03 -0.54 0.00 0.00 174.62 175.37 3i4i h ARG 69 N 1.44 0.24 -6.62 3.99 2.47 -1.39 -3.44 114.38 111.07 3i4i h ARG 69 Ca -0.50 -0.23 -0.46 0.00 -1.26 0.00 0.00 59.98 57.54 3i4i h ARG 69 Cb 1.25 0.06 0.02 0.00 -1.65 0.00 0.00 29.97 29.64 3i4i h ARG 69 CO 0.58 0.91 -0.14 -0.51 0.56 0.00 0.00 179.97 181.37 3i4i s ASP 70 N -6.93 5.95 0.23 7.04 1.01 -1.26 -5.02 116.67 117.69 3i4i s ASP 70 Ca -0.04 0.28 0.07 0.00 0.71 0.00 0.00 52.55 53.57 3i4i s ASP 70 Cb 0.11 -1.62 -0.04 0.00 1.01 0.00 0.00 42.92 42.38 3i4i s ASP 70 CO 0.82 -0.58 0.10 -0.54 0.21 0.00 0.00 175.17 175.19 3i4i s LYS 71 N -4.46 2.68 0.06 8.23 1.02 -1.26 -4.24 119.74 121.77 3i4i s LYS 71 Ca 0.46 -1.12 0.04 0.00 0.02 0.00 0.00 55.97 55.37 3i4i s LYS 71 Cb -0.10 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 3i4i s LYS 71 CO 0.37 0.42 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.05 3i4i s PHE 72 N -2.05 0.93 0.00 3.18 0.08 0.77 -4.87 117.98 116.03 3i4i s PHE 72 Ca 0.31 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.85 3i4i s PHE 72 Cb -0.08 -0.54 0.00 0.00 -0.57 0.00 0.00 43.02 41.83 3i4i s PHE 72 CO 0.22 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.73 3i4i n GLY 73 N 1.24 4.29 3.66 4.36 0.00 -1.26 -1.79 105.19 115.68 3i4i n GLY 73 Ca -0.21 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 3i4i n GLY 73 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i4i n TYR 74 N 0.00 1.28 -0.15 1.61 4.01 -1.26 -4.88 117.16 117.78 3i4i n TYR 74 Ca 0.00 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 3i4i n TYR 74 Cb 0.00 -2.20 0.00 0.00 -0.31 0.00 0.00 39.34 36.83 3i4i n TYR 74 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i4i n GLY 75 N 1.13 0.92 3.56 2.72 0.00 0.84 -4.33 105.19 110.04 3i4i n GLY 75 Ca 0.13 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 3i4i n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i4i s LEU 76 N 0.00 3.89 -0.22 0.99 2.96 -0.36 -0.81 118.68 125.13 3i4i s LEU 76 Ca 0.00 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 3i4i s LEU 76 Cb 0.00 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 3i4i s LEU 76 CO 0.00 -0.04 0.05 -0.31 -1.32 0.00 0.00 176.35 174.73 3i4i s TYR 77 N 1.68 3.10 0.08 5.38 1.51 0.62 -1.53 117.35 128.19 3i4i s TYR 77 Ca 0.07 -0.34 0.10 0.00 -1.01 0.00 0.00 57.07 55.89 3i4i s TYR 77 Cb -0.16 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 3i4i s TYR 77 CO 0.09 -0.23 -0.27 -0.65 -1.11 0.00 0.00 175.55 173.39 3i4i s GLN 78 N 1.19 1.61 0.06 -0.62 -0.21 0.86 -1.04 119.66 121.51 3i4i s GLN 78 Ca 0.04 -1.22 0.05 0.00 0.02 0.00 0.00 55.36 54.25 3i4i s GLN 78 Cb -0.14 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 3i4i s GLN 78 CO 0.03 0.48 -0.14 0.08 -2.12 0.00 0.00 175.29 173.62 3i4i s VAL 79 N -0.92 1.11 -0.23 1.09 1.01 0.20 -0.28 120.40 122.37 3i4i s VAL 79 Ca 0.13 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 3i4i s VAL 79 Cb -0.10 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.25 3i4i s VAL 79 CO 0.04 -0.14 -0.07 -0.60 0.00 0.00 0.00 175.10 174.32 3i4i s ARG 80 N -1.52 3.02 0.20 2.72 3.52 -0.61 0.33 118.95 126.61 3i4i s ARG 80 Ca -0.01 -0.85 -0.17 0.00 -0.13 0.00 0.00 55.73 54.57 3i4i s ARG 80 Cb -0.09 -2.95 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 3i4i s ARG 80 CO 0.02 -0.32 0.51 0.00 -0.81 0.00 0.00 175.30 174.70 3i4i s MET 81 N 1.37 1.39 -0.28 5.12 0.23 -0.23 -0.54 119.30 126.36 3i4i s MET 81 Ca 0.03 -0.91 -0.03 0.00 -1.03 0.00 0.00 55.69 53.74 3i4i s MET 81 Cb -0.15 0.51 0.11 0.00 -1.53 0.00 0.00 34.83 33.76 3i4i s MET 81 CO -0.05 -0.59 0.16 0.21 -2.03 0.00 0.00 175.02 172.72 3i4i s LYS 82 N -3.89 0.21 0.59 3.16 2.20 0.16 -2.12 119.74 120.06 3i4i s LYS 82 Ca 0.10 -0.43 -0.20 0.00 -0.36 0.00 0.00 55.97 55.09 3i4i s LYS 82 Cb -0.01 -1.08 -0.03 0.00 -1.51 0.00 0.00 37.83 35.19 3i4i s LYS 82 CO -0.02 -1.01 1.32 -1.25 -0.36 0.00 0.00 175.35 174.04 3i4i s PRO 83 N 2.16 2.89 0.39 4.03 0.04 -1.26 -1.39 135.00 141.86 3i4i s PRO 83 Ca 0.09 2.13 -0.25 0.00 0.04 0.00 0.00 61.00 63.01 3i4i s PRO 83 Cb -0.16 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3i4i s PRO 83 CO -0.35 -1.36 1.16 0.00 0.04 0.00 0.00 177.00 176.49 3i4i s ALA 84 N -1.36 3.17 -0.19 8.56 0.00 -1.24 -4.20 121.76 126.49 3i4i s ALA 84 Ca 0.77 0.94 -0.05 0.00 0.00 0.00 0.00 51.96 53.63 3i4i s ALA 84 Cb -0.38 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 3i4i s ALA 84 CO 0.43 -0.48 -0.01 0.21 0.00 0.00 0.00 175.76 175.90 3i4i s LYS 85 N -2.27 3.59 0.00 0.00 2.20 -1.26 -4.42 119.74 117.57 3i4i s LYS 85 Ca 0.56 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 3i4i s LYS 85 Cb -0.30 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 3i4i s LYS 85 CO 0.38 0.02 0.00 -1.71 -0.36 0.00 0.00 175.35 173.68 3i4i n ASN 86 N 4.19 0.00 -4.77 1.43 2.85 0.31 -5.02 115.26 114.26 3i4i n ASN 86 Ca -0.17 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 53.92 3i4i n ASN 86 Cb 0.52 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.53 3i4i n ASN 86 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 3i4i s PRO 87 N -2.00 3.77 0.00 1.20 0.02 -1.26 -2.39 135.00 134.34 3i4i s PRO 87 Ca 0.00 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.85 3i4i s PRO 87 Cb 0.00 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 32.06 3i4i s PRO 87 CO 0.00 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 3i4i n GLY 88 N 0.50 0.68 3.59 0.52 0.00 -0.20 -4.10 105.19 106.19 3i4i n GLY 88 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3i4i n GLY 88 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i4i s ILE 89 N -2.30 2.87 -0.03 -0.61 -4.36 -1.23 -0.95 121.20 114.58 3i4i s ILE 89 Ca 0.00 -2.06 0.04 0.00 -0.26 0.00 0.00 60.65 58.36 3i4i s ILE 89 Cb 0.00 -2.69 -0.00 0.00 1.25 0.00 0.00 42.46 41.02 3i4i s ILE 89 CO 0.00 -0.31 -0.14 -0.69 0.24 0.00 0.00 174.94 174.04 3i4i s VAL 90 N -2.45 1.17 -0.12 8.37 1.01 -0.51 -0.58 120.40 127.29 3i4i s VAL 90 Ca 0.32 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3i4i s VAL 90 Cb -0.03 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3i4i s VAL 90 CO 0.18 0.34 -0.07 -0.44 0.00 0.00 0.00 175.10 175.11 3i4i s SER 91 N 0.02 4.52 0.22 3.32 0.01 -0.43 -1.70 113.70 119.67 3i4i s SER 91 Ca -0.02 -0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.15 3i4i s SER 91 Cb -0.09 -1.51 -0.05 0.00 0.21 0.00 0.00 66.02 64.57 3i4i s SER 91 CO 0.01 0.24 -0.06 -0.44 0.41 0.00 0.00 173.24 173.40 3i4i s SER 92 N -0.05 2.17 -0.11 2.44 0.01 0.86 -0.95 113.70 118.06 3i4i s SER 92 Ca -0.00 -1.14 -0.05 0.00 1.31 0.00 0.00 55.95 56.07 3i4i s SER 92 Cb -0.13 -0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.09 3i4i s SER 92 CO 0.03 -0.38 0.24 0.12 0.41 0.00 0.00 173.24 173.66 3i4i s PHE 93 N -3.23 -0.36 0.07 2.43 5.36 -0.36 -2.76 117.98 119.12 3i4i s PHE 93 Ca 0.25 0.86 -0.22 0.00 -0.96 0.00 0.00 56.93 56.86 3i4i s PHE 93 Cb 0.04 -0.02 0.05 0.00 -0.34 0.00 0.00 43.02 42.75 3i4i s PHE 93 CO 0.08 -0.29 0.52 -0.59 -1.46 0.00 0.00 175.22 173.48 3i4i s PHE 94 N 1.90 -0.43 0.14 10.12 -0.71 -0.37 -0.87 117.98 127.76 3i4i s PHE 94 Ca -0.03 0.42 -0.03 0.00 -1.04 0.00 0.00 56.93 56.25 3i4i s PHE 94 Cb -0.11 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 42.01 3i4i s PHE 94 CO -0.08 -0.68 0.35 0.95 -1.34 0.00 0.00 175.22 174.42 3i4i s THR 95 N -2.71 5.22 -0.17 -4.49 -4.23 -0.51 0.33 115.64 109.08 3i4i s THR 95 Ca -0.04 -0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.21 3i4i s THR 95 Cb -0.00 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 70.24 3i4i s THR 95 CO -0.04 0.00 0.42 -0.47 -0.54 0.00 0.00 174.62 173.99 3i4i s TYR 96 N -1.69 -0.57 0.05 3.99 6.14 -0.12 -2.62 117.35 122.53 3i4i s TYR 96 Ca 0.39 1.26 -0.00 0.00 0.64 0.00 0.00 57.07 59.36 3i4i s TYR 96 Cb -0.12 0.24 -0.04 0.00 0.42 0.00 0.00 41.96 42.47 3i4i s TYR 96 CO 0.26 -0.31 -0.04 -0.08 0.64 0.00 0.00 175.55 176.03 3i4i s THR 97 N 1.06 0.26 0.00 4.34 -1.32 -0.43 -0.15 115.64 119.41 3i4i s THR 97 Ca -0.07 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 3i4i s THR 97 Cb -0.07 -1.26 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 3i4i s THR 97 CO -0.09 -0.87 0.00 0.61 -2.21 0.00 0.00 174.62 172.06 3i4i n GLY 98 N 0.43 1.99 0.36 6.08 0.00 -1.24 -1.57 105.19 111.23 3i4i n GLY 98 Ca -0.16 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.23 3i4i n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i4i h PRO 99 N 0.00 0.99 0.00 1.61 0.11 -1.82 0.62 132.00 133.52 3i4i h PRO 99 Ca 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3i4i h PRO 99 Cb 0.00 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 3i4i h PRO 99 CO 0.00 0.66 -0.10 -0.39 -0.21 0.00 0.00 178.00 177.96 3i4i h VAL 100 N 1.02 0.47 -0.69 3.15 -1.51 -1.96 0.30 116.25 117.03 3i4i h VAL 100 Ca 0.34 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 3i4i h VAL 100 Cb 0.08 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 3i4i h VAL 100 CO -0.11 0.10 0.00 1.41 -1.23 0.00 0.00 177.57 177.74 3i4i n HIS 101 N -3.56 1.11 -1.58 5.19 8.25 0.17 -4.94 115.22 119.87 3i4i n HIS 101 Ca -0.02 -0.51 -0.11 0.00 -0.26 0.00 0.00 57.72 56.82 3i4i n HIS 101 Cb 0.23 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3i4i n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i4i n GLY 102 N 1.49 0.84 3.46 -1.41 0.00 0.11 -4.91 105.19 104.76 3i4i n GLY 102 Ca 0.24 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 3i4i n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i4i s THR 103 N -2.45 1.52 0.98 2.61 -4.23 -0.97 -4.99 115.64 108.12 3i4i s THR 103 Ca 0.00 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.34 3i4i s THR 103 Cb 0.00 -2.65 0.16 0.00 1.34 0.00 0.00 72.50 71.34 3i4i s THR 103 CO 0.00 -0.15 0.98 -2.65 -0.54 0.00 0.00 174.62 172.27 3i4i n PRO 104 N -0.68 -0.86 -2.77 3.99 -0.02 -1.26 -3.14 135.00 130.26 3i4i n PRO 104 Ca -0.04 -0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 60.82 3i4i n PRO 104 Cb 0.65 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3i4i n PRO 104 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3i4i s TRP 105 N -2.55 2.69 -0.15 6.00 -0.00 -1.26 -3.64 118.94 120.04 3i4i s TRP 105 Ca 0.66 -0.73 -0.03 0.00 -0.00 0.00 0.00 56.10 56.00 3i4i s TRP 105 Cb -0.23 -4.42 -0.02 0.00 -0.00 0.00 0.00 33.47 28.80 3i4i s TRP 105 CO 0.61 -1.73 -0.07 -0.51 -0.00 0.00 0.00 176.95 175.25 3i4i s ASP 106 N 3.91 4.50 -0.19 5.86 1.11 -0.61 -1.06 116.67 130.19 3i4i s ASP 106 Ca 0.31 -0.21 -0.14 0.00 0.18 0.00 0.00 52.55 52.68 3i4i s ASP 106 Cb -0.09 -1.72 0.06 0.00 1.07 0.00 0.00 42.92 42.23 3i4i s ASP 106 CO 0.02 0.15 0.49 -0.70 1.18 0.00 0.00 175.17 176.32 3i4i s GLU 107 N 0.45 0.53 -0.07 8.23 2.12 0.47 -1.32 118.70 129.11 3i4i s GLU 107 Ca -0.06 0.79 0.04 0.00 0.36 0.00 0.00 54.97 56.10 3i4i s GLU 107 Cb -0.15 0.16 -0.00 0.00 0.26 0.00 0.00 34.13 34.40 3i4i s GLU 107 CO 0.03 -0.11 -0.21 0.42 -0.54 0.00 0.00 175.26 174.86 3i4i s ILE 108 N 0.81 1.78 -0.02 -3.70 1.01 -1.08 0.63 121.20 120.64 3i4i s ILE 108 Ca -0.04 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.79 3i4i s ILE 108 Cb -0.05 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 3i4i s ILE 108 CO -0.06 0.50 -0.24 -1.81 0.00 0.00 0.00 174.94 173.33 3i4i s ASP 109 N 0.16 2.82 -0.30 3.58 1.01 0.67 -1.43 116.67 123.19 3i4i s ASP 109 Ca -0.10 -0.44 -0.02 0.00 0.71 0.00 0.00 52.55 52.70 3i4i s ASP 109 Cb -0.15 -0.33 0.05 0.00 1.01 0.00 0.00 42.92 43.50 3i4i s ASP 109 CO 0.05 0.29 0.00 -0.63 0.21 0.00 0.00 175.17 175.10 3i4i s ILE 110 N -0.55 3.06 -0.15 0.77 1.01 -0.05 -2.77 121.20 122.51 3i4i s ILE 110 Ca 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.42 3i4i s ILE 110 Cb -0.09 -2.74 -0.00 0.00 0.01 0.00 0.00 42.46 39.63 3i4i s ILE 110 CO -0.01 -0.09 -0.15 -1.61 0.00 0.00 0.00 174.94 173.08 3i4i s GLU 111 N 1.27 3.23 -0.47 2.79 2.02 -0.12 -1.23 118.70 126.20 3i4i s GLU 111 Ca -0.05 -0.75 -0.13 0.00 0.02 0.00 0.00 54.97 54.06 3i4i s GLU 111 Cb -0.19 -2.61 0.08 0.00 0.10 0.00 0.00 34.13 31.51 3i4i s GLU 111 CO -0.01 0.05 0.37 -0.06 0.02 0.00 0.00 175.26 175.63 3i4i s PHE 112 N 0.73 3.28 -0.45 1.61 0.08 -0.12 -0.61 117.98 122.50 3i4i s PHE 112 Ca -0.07 -1.20 -0.28 0.00 0.12 0.00 0.00 56.93 55.51 3i4i s PHE 112 Cb -0.16 -3.22 -0.00 0.00 -0.57 0.00 0.00 43.02 39.08 3i4i s PHE 112 CO 0.01 -0.85 1.58 -0.51 -0.10 0.00 0.00 175.22 175.35 3i4i s LEU 113 N 1.56 3.48 0.00 -0.37 1.02 -1.26 -1.31 118.68 121.80 3i4i s LEU 113 Ca 0.04 0.78 0.00 0.00 0.02 0.00 0.00 54.13 54.97 3i4i s LEU 113 Cb -0.25 -3.30 0.00 0.00 0.02 0.00 0.00 46.19 42.66 3i4i s LEU 113 CO 0.04 -1.69 0.87 0.61 0.02 0.00 0.00 176.35 176.20 3i4i n GLY 114 N 5.30 -0.37 0.24 -3.19 0.00 0.26 -1.71 105.19 105.71 3i4i n GLY 114 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 3i4i n GLY 114 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i4i h LYS 115 N 0.00 0.00 -0.88 1.61 2.10 -1.67 0.90 116.57 118.63 3i4i h LYS 115 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3i4i h LYS 115 Cb 0.03 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.17 3i4i h LYS 115 CO 0.00 0.00 -0.38 0.34 -2.00 0.00 0.00 179.45 177.41 3i4i s ASP 116 N -5.62 -1.37 -0.12 7.07 -1.08 -0.69 -4.87 116.67 109.99 3i4i s ASP 116 Ca 0.03 -0.49 0.05 0.00 -0.52 0.00 0.00 52.55 51.63 3i4i s ASP 116 Cb 0.08 1.77 0.34 0.00 -1.46 0.00 0.00 42.92 43.65 3i4i s ASP 116 CO 0.56 -0.18 1.09 0.35 0.52 0.00 0.00 175.17 177.51 3i4i n THR 117 N 4.56 1.29 -0.55 1.71 -2.24 -1.25 -3.11 114.28 114.68 3i4i n THR 117 Ca 0.09 -0.63 0.09 0.00 -2.27 0.00 0.00 64.05 61.34 3i4i n THR 117 Cb 0.57 -0.47 0.31 0.00 -2.10 0.00 0.00 70.33 68.64 3i4i n THR 117 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i4i n THR 118 N 0.19 1.62 -3.94 4.28 -2.24 -1.26 0.44 114.28 113.38 3i4i n THR 118 Ca 0.14 -1.21 -0.10 0.00 -2.27 0.00 0.00 64.05 60.61 3i4i n THR 118 Cb 0.71 0.21 -0.12 0.00 -2.10 0.00 0.00 70.33 69.02 3i4i n THR 118 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i4i s LYS 119 N -1.68 0.18 0.17 -0.78 1.02 -1.18 -2.09 119.74 115.38 3i4i s LYS 119 Ca 0.46 -0.35 0.11 0.00 0.02 0.00 0.00 55.97 56.20 3i4i s LYS 119 Cb 0.29 0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 3i4i s LYS 119 CO 0.23 -0.03 -0.25 0.08 -0.92 0.00 0.00 175.35 174.47 3i4i s VAL 120 N -0.84 2.26 -0.11 3.17 1.01 -0.14 -4.63 120.40 121.12 3i4i s VAL 120 Ca -0.09 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 59.99 3i4i s VAL 120 Cb -0.06 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 3i4i s VAL 120 CO -0.01 -0.06 -0.14 -1.58 0.00 0.00 0.00 175.10 173.32 3i4i s GLN 121 N -2.44 3.15 0.01 2.72 0.74 0.22 -0.23 119.66 123.83 3i4i s GLN 121 Ca 0.18 -0.71 -0.00 0.00 0.05 0.00 0.00 55.36 54.87 3i4i s GLN 121 Cb -0.09 -2.54 -0.04 0.00 1.10 0.00 0.00 33.01 31.44 3i4i s GLN 121 CO 0.08 0.30 0.11 -0.06 -0.55 0.00 0.00 175.29 175.17 3i4i s PHE 122 N 0.10 3.33 0.17 1.67 0.08 0.50 -0.94 117.98 122.89 3i4i s PHE 122 Ca -0.07 0.22 -0.25 0.00 0.12 0.00 0.00 56.93 56.96 3i4i s PHE 122 Cb -0.15 -1.74 0.06 0.00 -0.57 0.00 0.00 43.02 40.62 3i4i s PHE 122 CO 0.05 0.57 0.94 1.21 -0.10 0.00 0.00 175.22 177.89 3i4i s ASN 123 N -1.89 -0.17 0.20 1.36 2.47 -1.12 -0.91 114.94 114.88 3i4i s ASN 123 Ca 0.25 -0.43 -0.19 0.00 0.42 0.00 0.00 52.86 52.90 3i4i s ASN 123 Cb -0.12 0.51 0.04 0.00 -1.45 0.00 0.00 41.25 40.22 3i4i s ASN 123 CO 0.16 -0.94 0.58 -0.72 -3.72 0.00 0.00 177.10 172.46 3i4i s TYR 124 N -3.30 -0.22 -0.06 0.43 1.13 -1.26 -0.24 117.35 113.84 3i4i s TYR 124 Ca 0.12 -0.12 0.04 0.00 -1.41 0.00 0.00 57.07 55.71 3i4i s TYR 124 Cb -0.02 0.49 0.00 0.00 -1.10 0.00 0.00 41.96 41.33 3i4i s TYR 124 CO 0.03 -0.97 -0.18 0.71 -2.51 0.00 0.00 175.55 172.64 3i4i s TYR 125 N -3.86 1.83 -0.19 -3.49 1.51 0.21 -4.41 117.35 108.94 3i4i s TYR 125 Ca 0.08 -0.60 -0.00 0.00 -1.01 0.00 0.00 57.07 55.53 3i4i s TYR 125 Cb -0.02 -1.25 0.05 0.00 -0.11 0.00 0.00 41.96 40.63 3i4i s TYR 125 CO -0.03 -0.24 -0.04 0.99 -1.11 0.00 0.00 175.55 175.12 3i4i s THR 126 N 0.22 1.14 -1.46 -0.71 2.01 -0.82 -0.39 115.64 115.63 3i4i s THR 126 Ca -0.09 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 3i4i s THR 126 Cb -0.14 -1.39 0.03 0.00 0.01 0.00 0.00 72.50 71.01 3i4i s THR 126 CO 0.04 0.02 0.90 -3.20 -0.69 0.00 0.00 174.62 171.68 3i4i n ASN 127 N 4.84 -5.72 0.00 3.53 5.15 -0.47 -0.87 115.26 121.73 3i4i n ASN 127 Ca -0.12 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.37 3i4i n ASN 127 Cb 0.47 -4.57 0.00 0.00 -0.53 0.00 0.00 39.78 35.15 3i4i n ASN 127 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3i4i n SER 128 N -2.75 0.00 -4.59 1.20 7.64 -0.22 -4.76 113.62 110.14 3i4i n SER 128 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 3i4i n SER 128 Cb 0.57 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 3i4i n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4i s ALA 129 N -2.91 3.39 0.00 -0.43 0.00 -0.04 -4.99 121.76 116.78 3i4i s ALA 129 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3i4i s ALA 129 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3i4i s ALA 129 CO 0.00 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.55 3i4i n GLY 130 N 4.56 1.57 2.62 0.00 0.00 -1.26 -1.95 105.19 110.73 3i4i n GLY 130 Ca 0.05 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 3i4i n GLY 130 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i4i n ASN 131 N 0.00 -4.56 -0.95 1.61 3.02 -1.26 -4.94 115.26 108.18 3i4i n ASN 131 Ca 0.00 -0.23 0.05 0.00 -0.03 0.00 0.00 54.58 54.38 3i4i n ASN 131 Cb 0.00 -3.35 0.24 0.00 -0.61 0.00 0.00 39.78 36.06 3i4i n ASN 131 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3i4i n HIS 132 N -4.06 0.99 -1.91 3.10 8.25 -1.26 -5.07 115.22 115.25 3i4i n HIS 132 Ca -0.05 -1.06 -0.42 0.00 -0.26 0.00 0.00 57.72 55.93 3i4i n HIS 132 Cb 0.57 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 3i4i n HIS 132 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3i4i s GLU 133 N -2.94 4.21 -0.03 -0.41 8.01 -1.26 -4.40 118.70 121.87 3i4i s GLU 133 Ca 0.43 2.41 0.01 0.00 0.01 0.00 0.00 54.97 57.83 3i4i s GLU 133 Cb 0.36 -3.10 0.02 0.00 -4.31 0.00 0.00 34.13 27.09 3i4i s GLU 133 CO 0.07 -0.55 -0.04 -0.47 0.01 0.00 0.00 175.26 174.27 3i4i s TYR 134 N 0.46 0.63 -0.29 1.61 5.04 -0.09 -4.97 117.35 119.74 3i4i s TYR 134 Ca 0.65 -0.15 -0.10 0.00 -2.44 0.00 0.00 57.07 55.04 3i4i s TYR 134 Cb -0.44 -0.55 -0.02 0.00 0.35 0.00 0.00 41.96 41.30 3i4i s TYR 134 CO 0.39 -0.14 0.15 0.42 -1.34 0.00 0.00 175.55 175.04 3i4i s ILE 135 N 0.68 4.73 -0.14 3.14 -1.09 -1.26 -0.37 121.20 126.88 3i4i s ILE 135 Ca -0.08 -0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.02 3i4i s ILE 135 Cb -0.12 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 3i4i s ILE 135 CO -0.00 0.16 0.15 -0.47 -1.23 0.00 0.00 174.94 173.54 3i4i s TYR 136 N 1.65 3.55 -0.43 3.97 6.14 0.67 -4.93 117.35 127.96 3i4i s TYR 136 Ca 0.06 0.48 -0.21 0.00 0.64 0.00 0.00 57.07 58.04 3i4i s TYR 136 Cb -0.16 -2.02 0.02 0.00 0.42 0.00 0.00 41.96 40.22 3i4i s TYR 136 CO 0.07 0.60 0.66 0.34 0.64 0.00 0.00 175.55 177.86 3i4i s ASP 137 N -0.60 6.34 0.82 4.32 2.15 -1.26 -0.97 116.67 127.47 3i4i s ASP 137 Ca 0.13 -0.27 -0.11 0.00 0.43 0.00 0.00 52.55 52.74 3i4i s ASP 137 Cb -0.12 -2.33 0.08 0.00 -0.30 0.00 0.00 42.92 40.26 3i4i s ASP 137 CO 0.02 -0.78 1.09 -0.76 -0.17 0.00 0.00 175.17 174.58 3i4i s LEU 138 N 2.87 2.81 -0.76 -1.34 1.43 -0.89 -4.92 118.68 117.88 3i4i s LEU 138 Ca 0.24 1.76 -0.02 0.00 -1.03 0.00 0.00 54.13 55.08 3i4i s LEU 138 Cb -0.14 -4.36 0.34 0.00 0.03 0.00 0.00 46.19 42.05 3i4i s LEU 138 CO 0.19 -2.28 2.11 0.54 0.23 0.00 0.00 176.35 177.14 3i4i n ARG 139 N -3.68 2.68 0.00 1.70 1.74 -1.26 -4.85 116.66 112.99 3i4i n ARG 139 Ca 0.09 -3.31 0.00 0.00 -0.77 0.00 0.00 57.85 53.86 3i4i n ARG 139 Cb 0.53 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 3i4i n ARG 139 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 3i4i n PHE 140 N -0.44 0.00 -3.15 -1.55 1.16 -1.26 -5.13 117.46 107.09 3i4i n PHE 140 Ca 0.55 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.69 3i4i n PHE 140 Cb 0.35 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.16 3i4i n PHE 140 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3i4i s ASP 141 N 0.00 6.22 0.53 5.98 -1.08 -1.26 -4.28 116.67 122.77 3i4i s ASP 141 Ca 0.00 -0.99 0.18 0.00 -0.52 0.00 0.00 52.55 51.22 3i4i s ASP 141 Cb 0.00 -2.29 1.35 0.00 -1.46 0.00 0.00 42.92 40.52 3i4i s ASP 141 CO 0.00 -0.93 2.15 0.00 0.52 0.00 0.00 175.17 176.92 3i4i h ALA 142 N 9.02 1.98 0.00 3.66 0.00 -0.34 0.13 119.26 133.71 3i4i h ALA 142 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i4i h ALA 142 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3i4i h ALA 142 CO 0.99 -0.05 0.00 -1.13 0.00 0.00 0.00 179.25 179.06 3i4i n SER 143 N -4.44 0.00 0.05 0.00 3.41 -1.26 -3.46 113.62 107.92 3i4i n SER 143 Ca -0.02 0.29 0.11 0.00 -0.26 0.00 0.00 58.87 58.99 3i4i n SER 143 Cb 0.13 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 3i4i n SER 143 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4i n GLU 144 N -1.42 0.61 -3.94 4.33 1.02 0.03 -4.83 120.64 116.44 3i4i n GLU 144 Ca 0.08 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 3i4i n GLU 144 Cb 0.24 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 3i4i n GLU 144 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i4i s ASP 145 N -4.90 -0.14 -0.01 1.62 1.01 -1.22 -5.14 116.67 107.89 3i4i s ASP 145 Ca -0.04 -0.81 -0.30 0.00 0.71 0.00 0.00 52.55 52.11 3i4i s ASP 145 Cb 0.12 0.62 -0.03 0.00 1.01 0.00 0.00 42.92 44.63 3i4i s ASP 145 CO 0.85 -1.18 1.02 -0.36 0.21 0.00 0.00 175.17 175.71 3i4i s PHE 146 N -3.98 3.59 0.36 4.23 0.08 -1.26 -4.56 117.98 116.43 3i4i s PHE 146 Ca 0.18 1.61 0.07 0.00 0.12 0.00 0.00 56.93 58.91 3i4i s PHE 146 Cb -0.02 -3.19 -0.07 0.00 -0.57 0.00 0.00 43.02 39.18 3i4i s PHE 146 CO 0.07 -0.28 -0.01 -1.01 -0.10 0.00 0.00 175.22 173.90 3i4i s HIS 147 N 1.23 2.31 -0.19 0.36 3.76 -0.90 -4.89 115.29 116.97 3i4i s HIS 147 Ca 0.52 -0.69 -0.06 0.00 -0.15 0.00 0.00 55.06 54.69 3i4i s HIS 147 Cb -0.22 -1.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.93 3i4i s HIS 147 CO 0.26 0.37 0.02 0.42 -0.85 0.00 0.00 174.74 174.96 3i4i s ILE 148 N -2.84 4.22 0.13 0.60 1.01 -1.26 -1.06 121.20 121.99 3i4i s ILE 148 Ca 0.34 -0.23 0.10 0.00 0.00 0.00 0.00 60.65 60.86 3i4i s ILE 148 Cb 0.07 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3i4i s ILE 148 CO 0.16 0.44 -0.25 -0.31 0.00 0.00 0.00 174.94 174.99 3i4i s TYR 149 N 0.74 2.15 0.10 3.97 2.02 0.15 0.08 117.35 126.56 3i4i s TYR 149 Ca 0.01 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 3i4i s TYR 149 Cb -0.14 -1.15 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 3i4i s TYR 149 CO 0.02 0.32 0.38 0.00 -1.57 0.00 0.00 175.55 174.70 3i4i s ALA 150 N -1.19 -0.87 0.06 3.71 0.00 -0.35 -0.63 121.76 122.50 3i4i s ALA 150 Ca 0.13 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.11 3i4i s ALA 150 Cb -0.10 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 3i4i s ALA 150 CO 0.06 -0.58 -0.13 -0.59 0.00 0.00 0.00 175.76 174.51 3i4i s PHE 151 N -3.49 1.16 -0.37 0.00 -0.12 -0.20 -1.27 117.98 113.68 3i4i s PHE 151 Ca 0.01 -0.44 -0.05 0.00 -0.05 0.00 0.00 56.93 56.40 3i4i s PHE 151 Cb 0.02 -0.66 0.08 0.00 -0.63 0.00 0.00 43.02 41.82 3i4i s PHE 151 CO -0.10 0.04 0.15 1.21 -0.05 0.00 0.00 175.22 176.48 3i4i s ASN 152 N -1.60 5.27 -0.42 1.98 2.47 0.14 -0.28 114.94 122.51 3i4i s ASN 152 Ca -0.02 -1.57 -0.18 0.00 0.42 0.00 0.00 52.86 51.50 3i4i s ASN 152 Cb -0.10 -1.85 0.02 0.00 -1.45 0.00 0.00 41.25 37.88 3i4i s ASN 152 CO 0.02 -0.44 0.49 0.86 -3.72 0.00 0.00 177.10 174.31 3i4i s TRP 153 N 1.28 3.15 0.36 0.43 -0.00 0.01 -1.40 118.94 122.77 3i4i s TRP 153 Ca 0.02 -0.26 0.08 0.00 -0.00 0.00 0.00 56.10 55.95 3i4i s TRP 153 Cb -0.22 -3.00 -0.06 0.00 -0.00 0.00 0.00 33.47 30.20 3i4i s TRP 153 CO -0.01 -0.73 0.05 -0.65 -0.00 0.00 0.00 176.95 175.62 3i4i s GLN 154 N 2.31 2.10 0.53 5.86 -1.52 -0.16 -0.11 119.66 128.66 3i4i s GLN 154 Ca 0.15 -1.81 0.24 0.00 -1.95 0.00 0.00 55.36 51.98 3i4i s GLN 154 Cb -0.16 -1.91 1.46 0.00 -0.22 0.00 0.00 33.01 32.18 3i4i s GLN 154 CO 0.15 0.06 2.13 -1.00 -0.25 0.00 0.00 175.29 176.38 3i4i h PRO 155 N 1.72 0.00 0.00 2.91 0.13 -1.97 -3.16 132.00 131.64 3i4i h PRO 155 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3i4i h PRO 155 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3i4i h PRO 155 CO 0.69 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 3i4i n ASN 156 N -4.01 1.71 -3.68 1.44 3.02 -1.26 -4.78 115.26 107.70 3i4i n ASN 156 Ca -0.03 -1.82 -0.05 0.00 -0.03 0.00 0.00 54.58 52.66 3i4i n ASN 156 Cb 0.16 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 3i4i n ASN 156 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3i4i s TYR 157 N -0.82 -0.20 -0.09 3.10 -0.85 -1.19 -4.68 117.35 112.62 3i4i s TYR 157 Ca 0.00 -0.06 0.03 0.00 -0.52 0.00 0.00 57.07 56.51 3i4i s TYR 157 Cb 0.00 0.61 0.01 0.00 0.38 0.00 0.00 41.96 42.96 3i4i s TYR 157 CO 0.00 -0.76 -0.17 0.42 -1.52 0.00 0.00 175.55 173.52 3i4i s ILE 158 N -3.27 1.53 -0.05 -3.49 1.01 -0.33 -0.99 121.20 115.60 3i4i s ILE 158 Ca 0.10 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 3i4i s ILE 158 Cb -0.01 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3i4i s ILE 158 CO -0.01 0.44 0.10 0.00 0.00 0.00 0.00 174.94 175.47 3i4i s ALA 159 N 0.66 3.66 0.06 9.38 0.00 -0.49 -0.30 121.76 134.73 3i4i s ALA 159 Ca -0.14 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.13 3i4i s ALA 159 Cb -0.16 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 3i4i s ALA 159 CO 0.04 0.66 -0.20 -1.58 0.00 0.00 0.00 175.76 174.68 3i4i s TRP 160 N -1.10 2.50 0.02 0.00 0.51 0.02 0.26 118.94 121.14 3i4i s TRP 160 Ca 0.19 -0.29 0.04 0.00 -2.12 0.00 0.00 56.10 53.92 3i4i s TRP 160 Cb -0.12 -1.42 -0.02 0.00 -0.81 0.00 0.00 33.47 31.10 3i4i s TRP 160 CO 0.09 0.26 -0.12 -0.51 -0.51 0.00 0.00 176.95 176.16 3i4i s LEU 161 N -1.54 2.12 -0.17 2.99 1.02 -0.40 -0.39 118.68 122.31 3i4i s LEU 161 Ca 0.15 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.94 3i4i s LEU 161 Cb -0.10 -0.56 0.03 0.00 0.02 0.00 0.00 46.19 45.58 3i4i s LEU 161 CO 0.05 0.06 -0.11 -0.69 0.02 0.00 0.00 176.35 175.68 3i4i s VAL 162 N -0.64 1.52 -1.61 -1.59 1.01 0.36 -1.21 120.40 118.23 3i4i s VAL 162 Ca 0.02 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 3i4i s VAL 162 Cb -0.07 -1.53 0.11 0.00 0.00 0.00 0.00 36.38 34.89 3i4i s VAL 162 CO 0.01 0.29 0.64 0.47 0.00 0.00 0.00 175.10 176.50 3i4i n ASP 163 N 4.76 -2.20 0.00 3.32 8.00 0.11 -2.43 116.55 128.11 3i4i n ASP 163 Ca -0.15 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.32 3i4i n ASP 163 Cb 0.48 -2.77 0.00 0.00 -0.02 0.00 0.00 41.12 38.81 3i4i n ASP 163 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i4i n GLY 164 N -1.64 0.28 3.27 0.44 0.00 -1.26 -5.03 105.19 101.25 3i4i n GLY 164 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3i4i n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i4i s GLU 165 N -0.93 3.25 0.34 1.61 0.41 -1.02 -5.07 118.70 117.29 3i4i s GLU 165 Ca 0.00 -0.72 -0.28 0.00 -0.41 0.00 0.00 54.97 53.56 3i4i s GLU 165 Cb 0.00 -2.72 -0.12 0.00 -1.78 0.00 0.00 34.13 29.51 3i4i s GLU 165 CO 0.00 -0.05 1.38 -1.91 -0.49 0.00 0.00 175.26 174.19 3i4i n GLU 166 N 4.27 2.34 0.00 1.61 2.13 -1.26 -0.49 120.64 129.24 3i4i n GLU 166 Ca -0.19 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.45 3i4i n GLU 166 Cb 0.51 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.75 3i4i n GLU 166 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3i4i n VAL 167 N 0.62 0.00 -3.59 6.31 0.24 0.47 -4.88 118.33 117.50 3i4i n VAL 167 Ca 0.04 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.34 62.14 3i4i n VAL 167 Cb 0.37 0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 3i4i n VAL 167 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3i4i s TYR 168 N -0.15 -0.67 0.01 6.34 5.04 -1.18 -5.00 117.35 121.74 3i4i s TYR 168 Ca 0.00 1.44 0.07 0.00 -2.44 0.00 0.00 57.07 56.15 3i4i s TYR 168 Cb 0.00 0.35 -0.02 0.00 0.35 0.00 0.00 41.96 42.63 3i4i s TYR 168 CO 0.00 -0.44 -0.23 1.03 -1.34 0.00 0.00 175.55 174.57 3i4i s ARG 169 N -0.33 1.68 0.19 4.97 0.52 -1.26 -0.80 118.95 123.93 3i4i s ARG 169 Ca -0.04 -0.90 0.11 0.00 -0.52 0.00 0.00 55.73 54.39 3i4i s ARG 169 Cb -0.03 -1.72 -0.04 0.00 0.52 0.00 0.00 34.95 33.68 3i4i s ARG 169 CO 0.03 0.46 -0.23 0.00 0.02 0.00 0.00 175.30 175.58 3i4i s ALA 170 N -0.66 2.57 0.00 2.13 0.00 0.59 -4.96 121.76 121.44 3i4i s ALA 170 Ca 0.09 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.41 3i4i s ALA 170 Cb -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3i4i s ALA 170 CO 0.00 0.43 0.00 0.66 0.00 0.00 0.00 175.76 176.85 3i4i n TYR 171 N 0.23 0.00 -2.19 0.00 4.01 -1.26 -1.18 117.16 116.76 3i4i n TYR 171 Ca -0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.20 3i4i n TYR 171 Cb 0.56 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.56 3i4i n TYR 171 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i4i s ASP 172 N -2.94 6.82 -0.96 7.72 2.15 -1.26 -4.36 116.67 123.83 3i4i s ASP 172 Ca 0.00 2.12 -0.10 0.00 0.43 0.00 0.00 52.55 55.00 3i4i s ASP 172 Cb 0.00 -2.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 3i4i s ASP 172 CO 0.00 -0.76 0.75 -0.67 -0.17 0.00 0.00 175.17 174.32 3i4i n ASP 173 N 5.74 -6.08 -4.77 -0.34 2.03 -1.26 -4.88 116.55 106.99 3i4i n ASP 173 Ca 0.14 -0.72 -0.38 0.00 0.52 0.00 0.00 54.79 54.35 3i4i n ASP 173 Cb 0.43 -3.82 -0.04 0.00 -0.72 0.00 0.00 41.12 36.98 3i4i n ASP 173 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3i4i s ILE 174 N -3.24 3.57 0.66 5.18 -1.09 -1.26 -4.64 121.20 120.38 3i4i s ILE 174 Ca 0.26 1.39 -0.17 0.00 -2.23 0.00 0.00 60.65 59.90 3i4i s ILE 174 Cb -0.08 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 3i4i s ILE 174 CO 0.82 0.19 1.18 -2.65 -1.23 0.00 0.00 174.94 173.25 3i4i n PRO 175 N 0.55 0.93 0.00 2.79 -0.02 -1.26 -4.98 135.00 133.01 3i4i n PRO 175 Ca 0.02 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3i4i n PRO 175 Cb 0.47 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3i4i n PRO 175 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3i4i n VAL 176 N -2.05 0.00 -3.34 -1.45 0.24 -1.26 -4.94 118.33 105.53 3i4i n VAL 176 Ca 0.15 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.07 3i4i n VAL 176 Cb 0.48 -0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 32.50 3i4i n VAL 176 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3i4i s HIS 177 N -1.81 3.45 0.32 6.34 3.76 -1.26 -5.03 115.29 121.06 3i4i s HIS 177 Ca 0.00 0.78 -0.28 0.00 -0.15 0.00 0.00 55.06 55.41 3i4i s HIS 177 Cb 0.00 -2.55 -0.13 0.00 1.11 0.00 0.00 32.58 31.01 3i4i s HIS 177 CO 0.00 0.09 1.18 -2.30 -0.85 0.00 0.00 174.74 172.85 3i4i n PRO 178 N 4.05 1.81 -4.34 8.40 -0.02 -1.26 -4.79 135.00 138.85 3i4i n PRO 178 Ca -0.07 0.64 -0.21 0.00 -2.02 0.00 0.00 63.50 61.83 3i4i n PRO 178 Cb 0.51 -2.13 -0.11 0.00 -0.02 0.00 0.00 33.50 31.75 3i4i n PRO 178 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i4i s GLY 179 N -0.41 1.40 0.43 -1.23 0.00 -0.74 -4.57 107.32 102.20 3i4i s GLY 179 Ca 0.57 -1.51 -0.23 0.00 0.00 0.00 0.00 44.72 43.55 3i4i s GLY 179 CO 0.61 -1.56 1.07 0.54 0.00 0.00 0.00 173.10 173.76 3i4i s LYS 180 N -2.88 4.00 -0.01 2.90 1.02 0.79 -0.16 119.74 125.41 3i4i s LYS 180 Ca 0.16 1.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.37 3i4i s LYS 180 Cb -0.05 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 3i4i s LYS 180 CO 0.07 -0.29 1.00 0.42 -0.92 0.00 0.00 175.35 175.63 3i4i s ILE 181 N -1.72 4.80 -0.00 2.17 1.01 -1.26 -0.94 121.20 125.25 3i4i s ILE 181 Ca 0.61 2.01 0.03 0.00 0.00 0.00 0.00 60.65 63.30 3i4i s ILE 181 Cb -0.22 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 37.95 3i4i s ILE 181 CO 0.27 0.14 -0.09 -0.04 0.00 0.00 0.00 174.94 175.22 3i4i s MET 182 N 1.14 0.70 -0.06 2.79 -1.94 0.15 -1.39 119.30 120.69 3i4i s MET 182 Ca 0.52 -0.36 0.03 0.00 -1.71 0.00 0.00 55.69 54.17 3i4i s MET 182 Cb -0.21 -0.67 0.00 0.00 2.01 0.00 0.00 34.83 35.96 3i4i s MET 182 CO 0.27 0.18 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.78 3i4i s LEU 183 N -0.35 1.84 0.08 -0.03 1.02 0.40 -1.23 118.68 120.41 3i4i s LEU 183 Ca 0.02 -0.36 -0.13 0.00 0.02 0.00 0.00 54.13 53.68 3i4i s LEU 183 Cb -0.04 -0.98 0.02 0.00 0.02 0.00 0.00 46.19 45.21 3i4i s LEU 183 CO -0.00 0.11 0.31 0.54 0.02 0.00 0.00 176.35 177.33 3i4i s ASN 184 N 0.33 -0.10 0.00 2.29 2.20 -1.11 0.02 114.94 118.57 3i4i s ASN 184 Ca -0.11 -0.35 0.05 0.00 -0.94 0.00 0.00 52.86 51.51 3i4i s ASN 184 Cb -0.14 0.40 -0.01 0.00 -2.00 0.00 0.00 41.25 39.49 3i4i s ASN 184 CO 0.04 -0.73 -0.14 -0.51 -2.94 0.00 0.00 177.10 172.81 3i4i s ILE 185 N -3.35 1.13 -0.02 0.54 2.07 -0.36 -0.10 121.20 121.11 3i4i s ILE 185 Ca 0.01 -0.72 -0.29 0.00 -1.41 0.00 0.00 60.65 58.24 3i4i s ILE 185 Cb 0.02 -0.97 0.07 0.00 0.13 0.00 0.00 42.46 41.71 3i4i s ILE 185 CO -0.08 0.24 0.64 -1.66 -1.91 0.00 0.00 174.94 172.16 3i4i s TRP 186 N -0.47 -0.61 -0.08 3.50 1.48 -0.69 -2.94 118.94 119.14 3i4i s TRP 186 Ca 0.05 0.95 -0.15 0.00 -1.06 0.00 0.00 56.10 55.89 3i4i s TRP 186 Cb -0.06 0.41 -0.05 0.00 -1.16 0.00 0.00 33.47 32.61 3i4i s TRP 186 CO -0.00 -0.63 0.37 -1.25 -4.06 0.00 0.00 176.95 171.38 3i4i s PRO 187 N -1.57 4.07 0.49 3.25 0.04 -1.26 -1.42 135.00 138.59 3i4i s PRO 187 Ca -0.09 0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.14 3i4i s PRO 187 Cb -0.00 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.16 3i4i s PRO 187 CO 0.06 0.46 0.86 0.20 0.04 0.00 0.00 177.00 178.62 3i4i s GLY 188 N -0.29 1.77 0.04 0.56 0.00 -0.12 -0.36 107.32 108.92 3i4i s GLY 188 Ca 0.22 -0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.76 3i4i s GLY 188 CO 0.09 -0.01 -0.12 -1.50 0.00 0.00 0.00 173.10 171.56 3i4i s ILE 189 N -2.69 0.95 -0.84 0.90 -1.16 0.23 -4.54 121.20 114.05 3i4i s ILE 189 Ca 0.52 -1.01 0.00 0.00 -0.51 0.00 0.00 60.65 59.65 3i4i s ILE 189 Cb -0.10 -0.90 0.00 0.00 0.61 0.00 0.00 42.46 42.07 3i4i s ILE 189 CO 0.40 -0.10 0.00 0.61 -2.81 0.00 0.00 174.94 173.04 3i4i n GLY 190 N 1.78 0.99 2.69 1.50 0.00 -1.26 -4.50 105.19 106.39 3i4i n GLY 190 Ca -0.19 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.12 3i4i n GLY 190 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i4i n VAL 191 N -2.75 0.98 0.18 1.61 0.24 -1.26 -4.93 118.33 112.40 3i4i n VAL 191 Ca -0.08 -2.93 0.05 0.00 -2.04 0.00 0.00 64.34 59.34 3i4i n VAL 191 Cb 0.27 0.79 0.49 0.00 -1.47 0.00 0.00 33.84 33.92 3i4i n VAL 191 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3i4i h ASP 192 N 2.87 0.11 -0.01 -1.34 3.32 -1.90 -0.73 116.42 118.73 3i4i h ASP 192 Ca -0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3i4i h ASP 192 Cb 1.20 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 3i4i h ASP 192 CO 0.41 0.22 0.00 -0.33 -1.72 0.00 0.00 179.24 177.83 3i4i h GLU 193 N 0.12 0.02 -0.06 3.56 3.07 -1.91 0.26 114.58 119.63 3i4i h GLU 193 Ca 0.03 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 3i4i h GLU 193 Cb 0.25 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3i4i h GLU 193 CO 0.01 0.18 -0.07 2.35 -1.40 0.00 0.00 179.01 180.08 3i4i h TRP 194 N -0.15 0.19 0.00 4.33 7.01 -1.91 -3.38 115.95 122.04 3i4i h TRP 194 Ca 0.00 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.95 3i4i h TRP 194 Cb 0.17 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 3i4i h TRP 194 CO -0.02 0.62 -1.63 1.28 -2.79 0.00 0.00 178.44 175.90 3i4i n LEU 195 N -4.71 0.06 0.00 0.65 4.32 -0.30 -5.02 117.00 111.99 3i4i n LEU 195 Ca -0.08 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 3i4i n LEU 195 Cb 0.31 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 3i4i n LEU 195 CO 0.36 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.16 3i4i n GLY 196 N 1.59 -2.24 3.73 -0.72 0.00 0.90 -1.03 105.19 107.43 3i4i n GLY 196 Ca -0.02 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 3i4i n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4i s ALA 197 N -2.44 3.33 0.35 4.61 0.00 -1.26 -3.56 121.76 122.80 3i4i s ALA 197 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.94 3i4i s ALA 197 Cb 0.00 -3.02 -0.10 0.00 0.00 0.00 0.00 23.12 20.00 3i4i s ALA 197 CO 0.00 -0.03 1.26 -0.47 0.00 0.00 0.00 175.76 176.52 3i4i s TYR 198 N 0.38 3.07 -1.06 0.00 5.04 -1.26 -3.84 117.35 119.68 3i4i s TYR 198 Ca 0.40 1.47 0.11 0.00 -2.44 0.00 0.00 57.07 56.61 3i4i s TYR 198 Cb -0.20 -3.58 0.28 0.00 0.35 0.00 0.00 41.96 38.81 3i4i s TYR 198 CO 0.22 -1.65 1.19 -0.40 -1.34 0.00 0.00 175.55 173.57 3i4i n ASP 199 N 0.60 2.78 0.00 4.32 5.68 -1.26 -4.93 116.55 123.74 3i4i n ASP 199 Ca 0.01 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 3i4i n ASP 199 Cb 0.43 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3i4i n ASP 199 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i4i n GLY 200 N 0.58 0.57 3.68 6.12 0.00 -1.26 -4.94 105.19 109.94 3i4i n GLY 200 Ca 0.11 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.61 3i4i n GLY 200 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i4i n LYS 201 N -2.38 1.70 -4.72 1.61 3.00 -1.26 -4.95 118.16 111.16 3i4i n LYS 201 Ca 0.00 0.62 -0.28 0.00 -0.00 0.00 0.00 58.31 58.66 3i4i n LYS 201 Cb 0.04 -2.38 -0.17 0.00 0.00 0.00 0.00 35.03 32.53 3i4i n LYS 201 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3i4i s THR 202 N 3.19 1.47 -0.08 3.15 2.01 -1.26 -4.45 115.64 119.67 3i4i s THR 202 Ca 0.92 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 3i4i s THR 202 Cb -0.85 -1.32 0.03 0.00 0.01 0.00 0.00 72.50 70.36 3i4i s THR 202 CO 0.55 0.43 0.21 0.54 -0.69 0.00 0.00 174.62 175.66 3i4i s ASN 203 N 0.66 -0.21 0.15 3.53 6.03 -1.26 -5.14 114.94 118.71 3i4i s ASN 203 Ca -0.14 0.42 0.02 0.00 -1.03 0.00 0.00 52.86 52.14 3i4i s ASN 203 Cb -0.16 0.39 -0.04 0.00 -3.03 0.00 0.00 41.25 38.41 3i4i s ASN 203 CO 0.04 -0.10 0.30 -0.76 -2.03 0.00 0.00 177.10 174.55 3i4i s LEU 204 N 0.44 4.33 -0.03 3.54 1.43 -1.18 -4.90 118.68 122.30 3i4i s LEU 204 Ca -0.03 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3i4i s LEU 204 Cb -0.04 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.27 3i4i s LEU 204 CO -0.02 0.04 0.06 -0.89 0.23 0.00 0.00 176.35 175.77 3i4i s THR 205 N -1.76 -0.09 -0.13 5.49 2.01 -1.26 -1.28 115.64 118.63 3i4i s THR 205 Ca 0.35 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.54 3i4i s THR 205 Cb -0.11 -0.13 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 3i4i s THR 205 CO 0.29 0.12 0.22 0.00 -0.69 0.00 0.00 174.62 174.56 3i4i s ALA 206 N 1.51 3.73 -0.02 7.40 0.00 0.85 -3.60 121.76 131.64 3i4i s ALA 206 Ca -0.04 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.46 3i4i s ALA 206 Cb -0.12 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 3i4i s ALA 206 CO -0.03 0.36 -0.24 -1.12 0.00 0.00 0.00 175.76 174.73 3i4i s SER 207 N -0.34 2.84 -0.07 0.00 0.01 -0.48 -0.02 113.70 115.63 3i4i s SER 207 Ca 0.15 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.97 3i4i s SER 207 Cb -0.13 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.73 3i4i s SER 207 CO 0.04 0.28 -0.04 -0.31 0.41 0.00 0.00 173.24 173.62 3i4i s TYR 208 N -0.49 0.90 -0.17 2.43 1.51 0.67 0.38 117.35 122.60 3i4i s TYR 208 Ca 0.07 -0.31 -0.26 0.00 -1.01 0.00 0.00 57.07 55.56 3i4i s TYR 208 Cb -0.10 -0.83 -0.23 0.00 -0.11 0.00 0.00 41.96 40.69 3i4i s TYR 208 CO -0.00 -0.29 0.54 0.22 -1.11 0.00 0.00 175.55 174.91 3i4i h ASP 209 N 7.66 0.00 -5.03 2.29 3.58 -1.11 0.36 116.42 124.17 3i4i h ASP 209 Ca -0.31 -0.79 -0.01 0.00 0.42 0.00 0.00 57.03 56.35 3i4i h ASP 209 Cb 1.14 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.09 3i4i h ASP 209 CO 0.40 1.18 0.13 -1.66 -2.88 0.00 0.00 179.24 176.41 3i4i s TRP 210 N -2.26 -0.31 0.11 0.28 1.48 -1.19 -4.29 118.94 112.76 3i4i s TRP 210 Ca -0.22 0.01 0.06 0.00 -1.06 0.00 0.00 56.10 54.88 3i4i s TRP 210 Cb 0.00 0.51 -0.04 0.00 -1.16 0.00 0.00 33.47 32.79 3i4i s TRP 210 CO 0.64 -0.93 -0.15 0.08 -4.06 0.00 0.00 176.95 172.52 3i4i s VAL 211 N -3.83 1.39 0.01 -0.66 1.01 -0.44 -1.57 120.40 116.31 3i4i s VAL 211 Ca 0.06 -1.64 -0.12 0.00 0.00 0.00 0.00 61.98 60.27 3i4i s VAL 211 Cb -0.02 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3i4i s VAL 211 CO -0.06 -0.33 0.26 0.00 0.00 0.00 0.00 175.10 174.98 3i4i s ALA 212 N -1.85 -0.62 -0.01 5.51 0.00 0.62 -1.79 121.76 123.62 3i4i s ALA 212 Ca 0.07 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.15 3i4i s ALA 212 Cb -0.07 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 3i4i s ALA 212 CO 0.03 -0.30 -0.11 -0.47 0.00 0.00 0.00 175.76 174.92 3i4i s TYR 213 N -1.78 0.96 -0.05 0.00 5.04 -0.07 -0.10 117.35 121.35 3i4i s TYR 213 Ca -0.11 -0.18 -0.02 0.00 -2.44 0.00 0.00 57.07 54.32 3i4i s TYR 213 Cb -0.04 -0.62 0.04 0.00 0.35 0.00 0.00 41.96 41.69 3i4i s TYR 213 CO 0.01 -0.02 0.09 -0.51 -1.34 0.00 0.00 175.55 173.78 3i4i s ASP 214 N -0.26 0.55 -1.09 4.32 1.01 -0.58 -1.35 116.67 119.27 3i4i s ASP 214 Ca 0.04 0.17 -0.22 0.00 0.71 0.00 0.00 52.55 53.24 3i4i s ASP 214 Cb -0.04 0.03 -0.02 0.00 1.01 0.00 0.00 42.92 43.90 3i4i s ASP 214 CO -0.00 -0.20 1.82 -2.16 0.21 0.00 0.00 175.17 174.83 3i4i s PRO 215 N 1.74 2.98 0.00 8.23 0.04 -1.26 -1.23 135.00 145.50 3i4i s PRO 215 Ca -0.02 -1.05 0.21 0.00 0.04 0.00 0.00 61.00 60.18 3i4i s PRO 215 Cb -0.12 -5.27 0.16 0.00 0.04 0.00 0.00 34.50 29.32 3i4i s PRO 215 CO -0.04 -3.17 1.16 0.44 0.04 0.00 0.00 177.00 175.43