#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9f h GLU 21 N 0.00 0.00 -0.54 -0.52 3.07 -1.99 -1.46 114.58 113.14 3i9f h GLU 21 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3i9f h GLU 21 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3i9f h GLU 21 CO 0.00 0.00 0.12 0.93 -1.40 0.00 0.00 179.01 178.66 3i9f h GLU 22 N 0.00 0.84 0.00 2.33 5.08 -2.03 -3.39 114.58 117.41 3i9f h GLU 22 Ca 0.51 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3i9f h GLU 22 Cb 2.09 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3i9f h GLU 22 CO -0.01 0.76 -0.99 2.48 -1.00 0.00 0.00 179.01 180.25 3i9f n TYR 23 N -4.27 0.00 -0.16 4.33 4.11 -1.16 -4.79 117.16 115.23 3i9f n TYR 23 Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.88 3i9f n TYR 23 Cb 0.23 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.60 3i9f n TYR 23 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3i9f h LEU 24 N 0.00 0.47 -0.74 -3.48 3.38 -1.46 -2.97 115.31 110.51 3i9f h LEU 24 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3i9f h LEU 24 Cb 0.99 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3i9f h LEU 24 CO 0.00 0.33 0.40 -0.65 0.09 0.00 0.00 178.44 178.61 3i9f h PRO 25 N 0.58 1.04 -0.96 1.13 0.11 -1.79 0.16 132.00 132.26 3i9f h PRO 25 Ca 0.19 -0.12 0.31 0.00 0.11 0.00 0.00 66.00 66.49 3i9f h PRO 25 Cb 0.02 -0.20 -0.16 0.00 0.11 0.00 0.00 31.00 30.77 3i9f h PRO 25 CO -0.09 0.78 0.38 -0.97 -0.21 0.00 0.00 178.00 177.89 3i9f h ASN 26 N 1.02 0.17 0.01 -2.05 -0.00 -1.83 0.87 115.58 113.78 3i9f h ASN 26 Ca 0.26 0.22 -0.04 0.00 -0.00 0.00 0.00 56.30 56.74 3i9f h ASN 26 Cb 0.04 0.26 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 3i9f h ASN 26 CO -0.04 -0.24 -0.15 0.40 -0.00 0.00 0.00 177.43 177.40 3i9f h ILE 27 N 0.17 1.63 -0.13 2.57 2.04 -0.71 -3.33 117.51 119.75 3i9f h ILE 27 Ca 0.69 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3i9f h ILE 27 Cb 1.57 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 40.62 3i9f h ILE 27 CO -0.70 0.55 0.00 0.49 0.00 0.00 0.00 178.15 178.48 3i9f n PHE 28 N -4.57 0.15 -0.12 1.37 3.01 -0.81 -4.62 117.46 111.88 3i9f n PHE 28 Ca -0.10 -0.07 -0.10 0.00 1.01 0.00 0.00 57.45 58.19 3i9f n PHE 28 Cb 0.48 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.91 3i9f n PHE 28 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3i9f h GLU 29 N 3.18 -0.32 0.06 -1.08 4.81 0.66 -2.87 114.58 119.03 3i9f h GLU 29 Ca 0.00 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3i9f h GLU 29 Cb 0.69 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3i9f h GLU 29 CO 0.00 -0.21 -0.03 0.78 -0.73 0.00 0.00 179.01 178.82 3i9f h GLY 30 N -0.33 -0.09 -7.30 1.92 0.00 -1.82 -3.43 103.07 92.02 3i9f h GLY 30 Ca 0.14 0.03 -0.62 0.00 0.00 0.00 0.00 47.33 46.88 3i9f h GLY 30 CO -0.56 -0.03 -0.72 0.54 0.00 0.00 0.00 176.54 175.77 3i9f s LYS 31 N -5.43 1.31 0.78 4.80 1.02 -1.08 -5.11 119.74 116.03 3i9f s LYS 31 Ca -0.14 -1.83 -0.13 0.00 0.02 0.00 0.00 55.97 53.88 3i9f s LYS 31 Cb 0.04 -2.66 0.07 0.00 -0.52 0.00 0.00 37.83 34.76 3i9f s LYS 31 CO 0.65 -1.04 1.19 0.15 -0.92 0.00 0.00 175.35 175.38 3i9f s LYS 32 N 0.72 1.82 0.00 1.68 -0.14 -1.26 -4.92 119.74 117.64 3i9f s LYS 32 Ca 0.14 1.70 0.00 0.00 -1.36 0.00 0.00 55.97 56.45 3i9f s LYS 32 Cb -0.21 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.13 3i9f s LYS 32 CO -0.09 -2.07 0.00 0.41 -0.76 0.00 0.00 175.35 172.84 3i9f n GLY 33 N 0.32 -0.55 3.63 -3.33 0.00 -0.70 -4.90 105.19 99.65 3i9f n GLY 33 Ca 0.13 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 3i9f n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9f s VAL 34 N -3.19 4.82 0.03 1.61 1.01 -1.26 -0.53 120.40 122.90 3i9f s VAL 34 Ca 0.00 1.42 0.07 0.00 0.00 0.00 0.00 61.98 63.48 3i9f s VAL 34 Cb 0.00 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 3i9f s VAL 34 CO 0.00 -0.14 -0.21 -0.63 0.00 0.00 0.00 175.10 174.13 3i9f s ILE 35 N 2.88 2.59 -0.19 2.22 1.01 -0.16 -0.93 121.20 128.61 3i9f s ILE 35 Ca 0.34 -1.20 0.01 0.00 0.00 0.00 0.00 60.65 59.80 3i9f s ILE 35 Cb -0.15 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.30 3i9f s ILE 35 CO 0.09 0.38 -0.18 -0.69 0.00 0.00 0.00 174.94 174.55 3i9f s VAL 36 N -0.86 2.05 -0.81 2.92 1.01 -0.18 -1.23 120.40 123.30 3i9f s VAL 36 Ca 0.13 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 3i9f s VAL 36 Cb -0.10 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.43 3i9f s VAL 36 CO 0.04 0.42 1.15 -0.62 0.00 0.00 0.00 175.10 176.08 3i9f s ASP 37 N 1.26 6.36 -0.58 3.32 -1.08 0.20 -0.57 116.67 125.58 3i9f s ASP 37 Ca 0.02 -1.28 -0.21 0.00 -0.52 0.00 0.00 52.55 50.57 3i9f s ASP 37 Cb -0.14 -2.46 0.07 0.00 -1.46 0.00 0.00 42.92 38.93 3i9f s ASP 37 CO -0.11 -1.41 0.78 -0.47 0.52 0.00 0.00 175.17 174.47 3i9f s TYR 38 N 4.12 2.90 0.00 -5.34 6.14 -0.02 -1.83 117.35 123.32 3i9f s TYR 38 Ca 0.31 -0.62 0.00 0.00 0.64 0.00 0.00 57.07 57.40 3i9f s TYR 38 Cb -0.09 -3.96 0.00 0.00 0.42 0.00 0.00 41.96 38.33 3i9f s TYR 38 CO 0.02 -1.32 0.00 0.41 0.64 0.00 0.00 175.55 175.30 3i9f n GLY 39 N 5.24 0.65 0.17 8.97 0.00 0.14 -4.50 105.19 115.86 3i9f n GLY 39 Ca -0.06 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.62 3i9f n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9f n GLY 41 N 0.04 1.61 0.19 0.00 0.00 -1.26 -1.79 105.19 103.98 3i9f n GLY 41 Ca -0.01 0.61 -0.01 0.00 0.00 0.00 0.00 46.02 46.61 3i9f n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3i9f n ASN 42 N 4.96 -0.34 0.00 1.61 0.23 -1.26 -4.84 115.26 115.62 3i9f n ASN 42 Ca 0.00 0.86 0.00 0.00 -0.53 0.00 0.00 54.58 54.91 3i9f n ASN 42 Cb 0.00 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 3i9f n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i9f n GLY 43 N -1.22 0.87 0.14 4.83 0.00 -0.74 -4.99 105.19 104.08 3i9f n GLY 43 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 3i9f n GLY 43 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i9f h PHE 44 N 0.00 -0.26 0.00 1.61 3.57 -1.89 -3.10 116.94 116.88 3i9f h PHE 44 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i9f h PHE 44 Cb 0.00 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3i9f h PHE 44 CO 0.00 -0.16 0.00 0.66 -2.23 0.00 0.00 178.31 176.58 3i9f n TYR 45 N -5.21 0.00 -0.13 0.41 4.01 -1.26 -3.96 117.16 111.02 3i9f n TYR 45 Ca -0.09 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.55 3i9f n TYR 45 Cb 0.13 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 38.67 3i9f n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i9f h LYS 47 N 0.48 0.64 0.00 0.00 2.10 -1.77 -0.05 116.57 117.97 3i9f h LYS 47 Ca 0.12 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3i9f h LYS 47 Cb 0.34 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 3i9f h LYS 47 CO 0.01 0.51 0.00 1.88 -2.00 0.00 0.00 179.45 179.84 3i9f h TYR 48 N 0.65 0.00 0.00 0.07 0.05 -1.71 -3.22 116.97 112.81 3i9f h TYR 48 Ca 0.16 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.59 3i9f h TYR 48 Cb 0.08 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.76 3i9f h TYR 48 CO 0.01 0.00 -2.27 1.28 -1.05 0.00 0.00 178.16 176.13 3i9f n LEU 49 N -2.61 0.16 -0.23 3.88 4.77 -0.25 -4.37 117.00 118.35 3i9f n LEU 49 Ca 0.02 0.07 0.19 0.00 -0.03 0.00 0.00 56.01 56.27 3i9f n LEU 49 Cb 0.32 0.44 0.52 0.00 -2.33 0.00 0.00 43.42 42.37 3i9f n LEU 49 CO 0.25 0.48 1.22 -0.07 -1.33 0.00 0.00 177.39 177.95 3i9f h LEU 50 N 0.00 0.39 -1.48 2.23 3.38 -1.09 -1.24 115.31 117.50 3i9f h LEU 50 Ca -0.50 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 3i9f h LEU 50 Cb 2.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.92 3i9f h LEU 50 CO 0.04 0.16 -0.26 -0.33 0.09 0.00 0.00 178.44 178.13 3i9f h GLU 51 N 0.39 0.00 -0.03 1.13 5.08 -1.76 -2.85 114.58 116.54 3i9f h GLU 51 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3i9f h GLU 51 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3i9f h GLU 51 CO -0.17 0.26 -0.02 1.19 -1.00 0.00 0.00 179.01 179.27 3i9f n PHE 52 N -3.94 0.00 -3.65 4.33 3.72 -0.50 -4.99 117.46 112.43 3i9f n PHE 52 Ca -0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.01 3i9f n PHE 52 Cb 0.34 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.77 3i9f n PHE 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i9f s ALA 53 N -1.94 3.50 -0.01 4.37 0.00 -1.02 -1.73 121.76 124.94 3i9f s ALA 53 Ca 0.26 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 50.96 3i9f s ALA 53 Cb 0.19 -2.35 -0.19 0.00 0.00 0.00 0.00 23.12 20.77 3i9f s ALA 53 CO 0.30 -0.40 1.28 1.79 0.00 0.00 0.00 175.76 178.73 3i9f h THR 54 N 5.26 1.14 -4.21 0.00 1.35 -1.14 -3.44 112.91 111.86 3i9f h THR 54 Ca -0.36 -0.90 -0.50 0.00 -0.55 0.00 0.00 66.41 64.10 3i9f h THR 54 Cb 1.18 1.71 -0.28 0.00 -1.73 0.00 0.00 68.15 69.03 3i9f h THR 54 CO 0.59 0.22 -0.82 -0.54 -0.25 0.00 0.00 175.52 174.72 3i9f s LYS 55 N -4.48 1.20 -0.17 4.72 1.02 -1.24 -5.01 119.74 115.78 3i9f s LYS 55 Ca -0.15 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 55.26 3i9f s LYS 55 Cb 0.02 -1.18 0.01 0.00 -0.52 0.00 0.00 37.83 36.17 3i9f s LYS 55 CO 0.63 0.32 -0.19 -1.17 -0.92 0.00 0.00 175.35 174.01 3i9f s LEU 56 N -0.51 2.19 -0.12 3.17 2.96 -1.26 -0.99 118.68 124.13 3i9f s LEU 56 Ca 0.05 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 3i9f s LEU 56 Cb -0.06 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 3i9f s LEU 56 CO -0.00 0.03 0.06 -0.31 -1.32 0.00 0.00 176.35 174.81 3i9f s TYR 57 N 1.12 3.32 -0.18 5.38 2.02 -0.37 -1.32 117.35 127.31 3i9f s TYR 57 Ca 0.01 0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 56.97 3i9f s TYR 57 Cb -0.14 -1.89 -0.00 0.00 -0.40 0.00 0.00 41.96 39.52 3i9f s TYR 57 CO -0.08 0.49 -0.11 0.00 -1.57 0.00 0.00 175.55 174.29 3i9f s ILE 59 N 1.10 3.13 -0.27 0.00 1.01 -0.76 -1.78 121.20 123.63 3i9f s ILE 59 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 3i9f s ILE 59 Cb -0.14 -2.34 0.08 0.00 0.01 0.00 0.00 42.46 40.07 3i9f s ILE 59 CO -0.03 0.51 0.77 -0.62 0.00 0.00 0.00 174.94 175.57 3i9f s ASP 60 N 0.53 -0.73 0.37 3.58 -1.08 -0.93 0.24 116.67 118.64 3i9f s ASP 60 Ca -0.08 1.35 0.14 0.00 -0.52 0.00 0.00 52.55 53.44 3i9f s ASP 60 Cb -0.15 1.36 0.72 0.00 -1.46 0.00 0.00 42.92 43.39 3i9f s ASP 60 CO 0.04 -0.23 1.81 -0.29 0.52 0.00 0.00 175.17 177.02 3i9f h ILE 61 N 4.12 1.21 -3.33 4.11 2.10 -1.86 -3.39 117.51 120.47 3i9f h ILE 61 Ca -0.29 -1.33 -0.57 0.00 1.08 0.00 0.00 64.86 63.75 3i9f h ILE 61 Cb 1.17 1.73 -0.06 0.00 -1.09 0.00 0.00 36.82 38.58 3i9f h ILE 61 CO 0.08 0.37 1.02 0.21 -1.08 0.00 0.00 178.15 178.75 3i9f s ASN 62 N -6.84 6.49 0.18 2.19 3.84 -1.26 -4.96 114.94 114.58 3i9f s ASN 62 Ca -0.02 0.85 -0.06 0.00 0.21 0.00 0.00 52.86 53.83 3i9f s ASN 62 Cb 0.14 -2.54 0.09 0.00 -0.55 0.00 0.00 41.25 38.39 3i9f s ASN 62 CO 0.72 -1.30 1.55 -0.37 -2.79 0.00 0.00 177.10 174.90 3i9f h VAL 63 N 6.28 1.28 -0.44 -5.21 -1.51 -2.00 -2.85 116.25 111.80 3i9f h VAL 63 Ca -0.26 -1.50 0.06 0.00 -1.23 0.00 0.00 66.70 63.77 3i9f h VAL 63 Cb 1.09 1.37 -0.05 0.00 -2.13 0.00 0.00 31.29 31.57 3i9f h VAL 63 CO 1.08 0.50 0.13 0.40 -1.23 0.00 0.00 177.57 178.44 3i9f h ILE 64 N 0.66 0.82 -0.77 7.19 1.08 -1.98 -1.60 117.51 122.92 3i9f h ILE 64 Ca 0.07 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 3i9f h ILE 64 Cb 0.89 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.12 3i9f h ILE 64 CO 0.08 0.05 0.46 0.00 -0.69 0.00 0.00 178.15 178.05 3i9f h ALA 65 N 1.31 0.99 -0.59 1.87 0.00 -1.86 -1.46 119.26 119.52 3i9f h ALA 65 Ca 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i9f h ALA 65 Cb 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3i9f h ALA 65 CO -0.24 0.47 0.21 -0.07 0.00 0.00 0.00 179.25 179.62 3i9f h LEU 66 N 1.06 0.79 -0.72 0.00 3.38 -1.26 -2.72 115.31 115.85 3i9f h LEU 66 Ca 0.28 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3i9f h LEU 66 Cb -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3i9f h LEU 66 CO -0.05 0.72 0.32 0.11 0.09 0.00 0.00 178.44 179.63 3i9f h LYS 67 N 0.84 1.05 -0.75 1.13 1.57 -0.29 -1.27 116.57 118.85 3i9f h LYS 67 Ca 0.20 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3i9f h LYS 67 Cb 0.20 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3i9f h LYS 67 CO -0.01 0.85 0.36 0.93 -0.57 0.00 0.00 179.45 181.00 3i9f h GLU 68 N 1.02 1.08 -0.23 3.15 4.39 -1.20 -0.45 114.58 122.34 3i9f h GLU 68 Ca 0.24 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3i9f h GLU 68 Cb 0.17 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3i9f h GLU 68 CO -0.03 0.84 -0.01 0.28 -1.16 0.00 0.00 179.01 178.94 3i9f h VAL 69 N 1.06 1.26 -0.39 3.13 2.07 -1.31 -2.76 116.25 119.31 3i9f h VAL 69 Ca 0.26 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3i9f h VAL 69 Cb 0.12 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3i9f h VAL 69 CO -0.03 0.28 0.23 0.11 0.02 0.00 0.00 177.57 178.18 3i9f h LYS 70 N 0.18 0.52 -0.51 1.57 1.57 -0.78 0.88 116.57 119.99 3i9f h LYS 70 Ca 0.06 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 3i9f h LYS 70 Cb 0.42 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3i9f h LYS 70 CO 0.01 0.37 0.04 0.93 -0.57 0.00 0.00 179.45 180.24 3i9f h GLU 71 N 0.53 0.83 0.16 3.15 5.08 -0.96 -3.29 114.58 120.08 3i9f h GLU 71 Ca 0.14 -0.21 -0.31 0.00 -1.00 0.00 0.00 59.36 57.98 3i9f h GLU 71 Cb -0.01 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.14 3i9f h GLU 71 CO -0.03 0.81 -1.55 0.87 -1.00 0.00 0.00 179.01 178.11 3i9f h LYS 72 N 0.79 0.33 -3.10 2.33 1.57 -1.12 -3.44 116.57 113.93 3i9f h LYS 72 Ca 0.16 -0.56 -0.62 0.00 -1.87 0.00 0.00 60.65 57.76 3i9f h LYS 72 Cb 0.41 0.21 -0.40 0.00 0.08 0.00 0.00 32.23 32.53 3i9f h LYS 72 CO 0.01 1.27 -0.70 -0.06 -0.57 0.00 0.00 179.45 179.40 3i9f s PHE 73 N -2.53 2.42 0.06 -1.35 0.08 0.25 -4.97 117.98 111.94 3i9f s PHE 73 Ca -0.17 -2.71 0.31 0.00 0.12 0.00 0.00 56.93 54.48 3i9f s PHE 73 Cb 0.05 -2.20 1.54 0.00 -0.57 0.00 0.00 43.02 41.84 3i9f s PHE 73 CO 0.82 -0.76 1.95 0.22 -0.10 0.00 0.00 175.22 177.35 3i9f h ASP 74 N 6.55 0.00 1.40 1.36 3.58 -1.82 -2.82 116.42 124.67 3i9f h ASP 74 Ca -0.01 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 3i9f h ASP 74 Cb 0.90 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 3i9f h ASP 74 CO 0.56 0.00 -0.61 0.77 -2.88 0.00 0.00 179.24 177.08 3i9f h SER 75 N 0.00 0.00 -3.41 2.28 4.64 -1.93 -3.45 113.55 111.68 3i9f h SER 75 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3i9f h SER 75 Cb 0.20 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.33 3i9f h SER 75 CO 0.00 0.07 0.68 -0.69 -0.87 0.00 0.00 176.83 176.02 3i9f s VAL 76 N -3.25 3.05 -0.46 0.95 1.01 -1.07 -4.74 120.40 115.90 3i9f s VAL 76 Ca 0.03 0.88 -0.22 0.00 0.00 0.00 0.00 61.98 62.66 3i9f s VAL 76 Cb 0.08 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.93 3i9f s VAL 76 CO 0.74 0.14 0.73 -0.63 0.00 0.00 0.00 175.10 176.08 3i9f s ILE 77 N 0.02 4.72 0.03 2.22 1.01 -0.44 -4.96 121.20 123.80 3i9f s ILE 77 Ca 0.57 0.22 -0.21 0.00 0.00 0.00 0.00 60.65 61.23 3i9f s ILE 77 Cb -0.38 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 37.74 3i9f s ILE 77 CO 0.40 -0.71 0.61 0.42 0.00 0.00 0.00 174.94 175.67 3i9f s THR 78 N 3.10 4.83 -0.01 2.92 -4.23 -1.26 -1.51 115.64 119.47 3i9f s THR 78 Ca 0.26 1.30 0.01 0.00 -1.18 0.00 0.00 61.69 62.07 3i9f s THR 78 Cb -0.13 -3.95 0.00 0.00 1.34 0.00 0.00 72.50 69.76 3i9f s THR 78 CO 0.20 0.45 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.95 3i9f s LEU 79 N -0.43 1.81 0.04 4.79 1.43 -0.73 -4.96 118.68 120.62 3i9f s LEU 79 Ca 0.31 -0.04 0.18 0.00 -1.03 0.00 0.00 54.13 53.55 3i9f s LEU 79 Cb -0.19 -0.15 0.74 0.00 0.03 0.00 0.00 46.19 46.62 3i9f s LEU 79 CO 0.19 0.00 1.56 -1.54 0.23 0.00 0.00 176.35 176.78 3i9f n SER 80 N 3.27 0.10 -3.57 2.29 3.41 -1.26 -2.19 113.62 115.66 3i9f n SER 80 Ca -0.16 0.52 -0.07 0.00 -0.26 0.00 0.00 58.87 58.90 3i9f n SER 80 Cb 0.57 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 63.94 3i9f n SER 80 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i9f s ASP 81 N -3.18 -0.27 0.00 4.04 2.15 -1.26 -4.33 116.67 113.82 3i9f s ASP 81 Ca 0.08 0.16 0.11 0.00 0.43 0.00 0.00 52.55 53.33 3i9f s ASP 81 Cb 0.11 0.25 0.46 0.00 -0.30 0.00 0.00 42.92 43.43 3i9f s ASP 81 CO 0.32 -0.34 1.33 -0.81 -0.17 0.00 0.00 175.17 175.50 3i9f n PRO 82 N 0.28 1.40 -0.26 4.34 -0.04 -1.26 -4.37 135.00 135.09 3i9f n PRO 82 Ca -0.06 -0.62 0.06 0.00 -0.04 0.00 0.00 63.50 62.84 3i9f n PRO 82 Cb 0.59 -1.22 0.19 0.00 -0.04 0.00 0.00 33.50 33.02 3i9f n PRO 82 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3i9f h LYS 83 N 1.09 0.43 -0.07 0.54 3.64 -1.99 -1.25 116.57 118.97 3i9f h LYS 83 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3i9f h LYS 83 Cb 0.25 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3i9f h LYS 83 CO 0.00 0.28 0.00 0.39 -2.27 0.00 0.00 179.45 177.85 3i9f n GLU 84 N -5.00 1.32 -2.64 1.90 -0.58 -1.26 -4.74 120.64 109.64 3i9f n GLU 84 Ca 0.15 -0.48 -0.42 0.00 -0.42 0.00 0.00 57.16 55.98 3i9f n GLU 84 Cb 0.43 -1.35 -0.03 0.00 -0.57 0.00 0.00 31.44 29.93 3i9f n GLU 84 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i9f s ILE 85 N -1.91 4.67 0.62 -3.67 1.01 -0.47 -5.01 121.20 116.43 3i9f s ILE 85 Ca 0.31 1.94 -0.17 0.00 0.00 0.00 0.00 60.65 62.73 3i9f s ILE 85 Cb 0.15 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 3i9f s ILE 85 CO 0.24 0.01 1.15 -2.84 0.00 0.00 0.00 174.94 173.51 3i9f s PRO 86 N 2.00 2.92 0.51 2.79 0.02 -1.26 -4.91 135.00 137.06 3i9f s PRO 86 Ca 0.50 1.62 -0.23 0.00 0.02 0.00 0.00 61.00 62.91 3i9f s PRO 86 Cb -0.20 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.32 3i9f s PRO 86 CO 0.19 -1.20 1.34 -0.51 -0.33 0.00 0.00 177.00 176.49 3i9f s ASP 87 N -2.02 5.52 -1.30 2.53 1.01 -1.26 -3.51 116.67 117.65 3i9f s ASP 87 Ca 0.72 2.72 -0.07 0.00 0.71 0.00 0.00 52.55 56.64 3i9f s ASP 87 Cb -0.25 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.04 3i9f s ASP 87 CO 0.35 -1.39 0.59 -3.20 0.21 0.00 0.00 175.17 171.74 3i9f n ASN 88 N -0.78 -2.05 0.00 0.27 4.05 -0.64 -4.86 115.26 111.25 3i9f n ASN 88 Ca 0.09 -0.97 0.00 0.00 0.45 0.00 0.00 54.58 54.15 3i9f n ASN 88 Cb 0.45 -3.38 0.00 0.00 1.23 0.00 0.00 39.78 38.08 3i9f n ASN 88 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 3i9f n SER 89 N -2.91 0.04 -4.55 1.20 3.41 -0.43 -4.71 113.62 105.68 3i9f n SER 89 Ca -0.24 -0.28 -0.34 0.00 -0.26 0.00 0.00 58.87 57.75 3i9f n SER 89 Cb 0.66 0.32 -0.12 0.00 -0.26 0.00 0.00 64.21 64.81 3i9f n SER 89 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i9f s VAL 90 N -0.32 3.78 -0.20 -3.33 1.01 0.03 -4.73 120.40 116.65 3i9f s VAL 90 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 3i9f s VAL 90 Cb 0.00 -2.60 -0.20 0.00 0.00 0.00 0.00 36.38 33.59 3i9f s VAL 90 CO 0.00 0.56 0.19 0.47 0.00 0.00 0.00 175.10 176.32 3i9f n ASP 91 N 2.79 1.91 -4.05 3.32 8.00 -0.11 -0.99 116.55 127.42 3i9f n ASP 91 Ca -0.18 0.38 -0.19 0.00 0.71 0.00 0.00 54.79 55.51 3i9f n ASP 91 Cb 0.53 -0.93 -0.14 0.00 -0.02 0.00 0.00 41.12 40.55 3i9f n ASP 91 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3i9f s PHE 92 N -2.41 0.90 -0.10 1.24 0.08 -1.00 -0.45 117.98 116.24 3i9f s PHE 92 Ca -0.29 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.60 3i9f s PHE 92 Cb 0.07 -0.57 -0.00 0.00 -0.57 0.00 0.00 43.02 41.94 3i9f s PHE 92 CO 0.61 -0.01 -0.23 0.42 -0.10 0.00 0.00 175.22 175.91 3i9f s ILE 93 N -0.35 2.11 -0.14 0.64 1.01 -0.39 -1.01 121.20 123.08 3i9f s ILE 93 Ca 0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3i9f s ILE 93 Cb -0.04 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 3i9f s ILE 93 CO -0.00 0.56 -0.09 -0.22 0.00 0.00 0.00 174.94 175.19 3i9f s LEU 94 N 0.33 2.94 -0.44 2.97 2.96 0.26 0.45 118.68 128.15 3i9f s LEU 94 Ca -0.18 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3i9f s LEU 94 Cb -0.18 -1.69 0.12 0.00 0.50 0.00 0.00 46.19 44.95 3i9f s LEU 94 CO 0.09 0.16 0.20 -0.36 -1.32 0.00 0.00 176.35 175.12 3i9f s PHE 95 N 0.37 3.55 -0.59 5.38 0.08 -0.38 -0.84 117.98 125.54 3i9f s PHE 95 Ca -0.08 -2.82 -0.19 0.00 0.12 0.00 0.00 56.93 53.96 3i9f s PHE 95 Cb -0.15 -3.04 0.10 0.00 -0.57 0.00 0.00 43.02 39.36 3i9f s PHE 95 CO 0.04 -0.90 0.72 0.00 -0.10 0.00 0.00 175.22 174.99 3i9f s ALA 96 N 0.59 3.39 -1.46 5.36 0.00 -1.26 -1.58 121.76 126.80 3i9f s ALA 96 Ca 0.12 -2.19 -0.02 0.00 0.00 0.00 0.00 51.96 49.88 3i9f s ALA 96 Cb -0.22 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.36 3i9f s ALA 96 CO -0.05 -2.38 0.16 0.09 0.00 0.00 0.00 175.76 173.59 3i9f n ASN 97 N 6.44 -5.10 -0.01 0.00 3.02 0.41 -4.85 115.26 115.17 3i9f n ASN 97 Ca -0.09 -0.04 -0.01 0.00 -0.03 0.00 0.00 54.58 54.42 3i9f n ASN 97 Cb 0.43 -4.23 -0.01 0.00 -0.61 0.00 0.00 39.78 35.35 3i9f n ASN 97 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3i9f n SER 98 N -2.07 4.43 -0.02 6.41 3.41 -1.26 -4.79 113.62 119.72 3i9f n SER 98 Ca -0.17 -0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.38 3i9f n SER 98 Cb 0.64 0.33 0.13 0.00 -0.26 0.00 0.00 64.21 65.05 3i9f n SER 98 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3i9f h PHE 99 N 0.00 0.68 -0.83 7.33 3.57 -1.87 -3.16 116.94 122.66 3i9f h PHE 99 Ca -0.03 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.32 3i9f h PHE 99 Cb 1.06 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 3i9f h PHE 99 CO 0.00 0.83 0.55 1.12 -2.23 0.00 0.00 178.31 178.57 3i9f h HIS 100 N 0.51 1.02 -0.40 0.41 2.07 -1.89 -1.47 115.15 115.40 3i9f h HIS 100 Ca 0.06 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 3i9f h HIS 100 Cb 0.77 -0.34 0.00 0.00 2.57 0.00 0.00 27.41 30.41 3i9f h HIS 100 CO 0.03 0.62 0.00 -0.40 -3.07 0.00 0.00 177.93 175.11 3i9f n ASP 101 N -4.43 3.99 -4.76 3.10 5.68 -1.25 -4.99 116.55 113.90 3i9f n ASP 101 Ca 0.10 -2.61 -0.41 0.00 -0.50 0.00 0.00 54.79 51.37 3i9f n ASP 101 Cb 0.06 -0.48 -0.03 0.00 -1.14 0.00 0.00 41.12 39.53 3i9f n ASP 101 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 3i9f s MET 102 N -2.11 4.52 0.72 0.11 1.75 -0.56 -5.02 119.30 118.71 3i9f s MET 102 Ca 0.40 1.96 -0.15 0.00 -1.25 0.00 0.00 55.69 56.66 3i9f s MET 102 Cb 0.29 -3.16 0.04 0.00 2.84 0.00 0.00 34.83 34.83 3i9f s MET 102 CO 0.15 0.02 1.17 -0.51 -0.65 0.00 0.00 175.02 175.20 3i9f s ASP 103 N -0.56 4.36 -1.11 1.11 1.01 -1.26 -4.34 116.67 115.89 3i9f s ASP 103 Ca 0.48 2.24 -0.20 0.00 0.71 0.00 0.00 52.55 55.78 3i9f s ASP 103 Cb -0.35 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.00 3i9f s ASP 103 CO 0.44 -2.14 0.78 0.47 0.21 0.00 0.00 175.17 174.93 3i9f n ASP 104 N -2.75 -5.37 -0.36 0.27 8.00 -1.26 -4.77 116.55 110.31 3i9f n ASP 104 Ca 0.12 -0.99 -0.01 0.00 0.71 0.00 0.00 54.79 54.63 3i9f n ASP 104 Cb 0.51 -3.28 0.12 0.00 -0.02 0.00 0.00 41.12 38.45 3i9f n ASP 104 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3i9f h LYS 105 N -1.75 1.21 -0.39 -1.24 1.57 -1.96 -0.27 116.57 113.74 3i9f h LYS 105 Ca -0.64 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 57.95 3i9f h LYS 105 Cb 1.35 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3i9f h LYS 105 CO 0.47 0.80 -0.22 1.96 -0.57 0.00 0.00 179.45 181.89 3i9f h GLN 106 N 1.25 0.78 -0.23 3.15 1.08 -1.97 -0.37 115.11 118.79 3i9f h GLN 106 Ca 0.38 -0.31 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 3i9f h GLN 106 Cb -0.04 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3i9f h GLN 106 CO -0.11 0.93 -0.23 1.25 -0.95 0.00 0.00 178.83 179.71 3i9f h HIS 107 N 0.68 0.48 -0.04 2.96 -0.00 -1.76 -0.49 115.15 116.97 3i9f h HIS 107 Ca 0.09 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3i9f h HIS 107 Cb 0.73 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 28.02 3i9f h HIS 107 CO 0.04 0.63 0.01 0.28 -0.00 0.00 0.00 177.93 178.89 3i9f h VAL 108 N 0.39 1.16 -0.80 5.26 2.07 -0.02 -0.34 116.25 123.97 3i9f h VAL 108 Ca 0.06 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3i9f h VAL 108 Cb 0.62 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 3i9f h VAL 108 CO 0.04 0.13 0.36 0.40 0.02 0.00 0.00 177.57 178.53 3i9f h ILE 109 N -0.13 1.25 -0.82 4.57 1.08 -0.78 -0.33 117.51 122.34 3i9f h ILE 109 Ca 0.01 -0.74 -0.04 0.00 -0.39 0.00 0.00 64.86 63.70 3i9f h ILE 109 Cb 0.20 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.17 3i9f h ILE 109 CO -0.00 0.31 0.36 -1.28 -0.69 0.00 0.00 178.15 176.85 3i9f h SER 110 N 1.14 1.11 0.24 1.72 0.87 -0.82 -1.10 113.55 116.70 3i9f h SER 110 Ca 0.27 -0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.52 3i9f h SER 110 Cb 0.15 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3i9f h SER 110 CO -0.03 0.96 -0.61 -0.33 -0.53 0.00 0.00 176.83 176.29 3i9f h GLU 111 N 1.19 0.37 -0.02 2.24 4.39 -0.57 -2.33 114.58 119.85 3i9f h GLU 111 Ca 0.28 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3i9f h GLU 111 Cb 0.17 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3i9f h GLU 111 CO -0.03 0.86 0.01 0.28 -1.16 0.00 0.00 179.01 178.97 3i9f h VAL 112 N 0.27 1.02 -0.38 3.13 2.07 -0.83 -1.19 116.25 120.35 3i9f h VAL 112 Ca -0.01 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3i9f h VAL 112 Cb 1.14 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3i9f h VAL 112 CO 0.10 0.02 0.25 0.11 0.02 0.00 0.00 177.57 178.07 3i9f h LYS 113 N 0.00 0.38 -0.03 1.57 1.57 -1.13 -2.33 116.57 116.60 3i9f h LYS 113 Ca 0.01 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 3i9f h LYS 113 Cb 0.02 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3i9f h LYS 113 CO -0.00 0.25 -0.64 -0.09 -0.57 0.00 0.00 179.45 178.40 3i9f h ARG 114 N 0.39 0.49 0.00 3.15 2.43 -1.02 -3.32 114.38 116.50 3i9f h ARG 114 Ca 0.15 -0.48 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3i9f h ARG 114 Cb 0.13 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3i9f h ARG 114 CO -0.04 1.12 -0.54 -0.84 -1.51 0.00 0.00 179.97 178.17 3i9f h ILE 115 N 0.03 0.01 -3.51 1.20 3.07 -1.09 -1.71 117.51 115.51 3i9f h ILE 115 Ca -0.07 -1.02 -0.53 0.00 1.55 0.00 0.00 64.86 64.80 3i9f h ILE 115 Cb 1.33 1.74 -0.02 0.00 -0.27 0.00 0.00 36.82 39.59 3i9f h ILE 115 CO 0.13 0.01 0.33 -0.22 -1.05 0.00 0.00 178.15 177.34 3i9f s LEU 116 N -5.77 4.46 0.79 0.16 2.96 -0.89 -0.79 118.68 119.61 3i9f s LEU 116 Ca 0.03 1.71 -0.12 0.00 -0.22 0.00 0.00 54.13 55.52 3i9f s LEU 116 Cb 0.07 -3.52 0.07 0.00 0.50 0.00 0.00 46.19 43.31 3i9f s LEU 116 CO 0.73 -0.10 1.15 -0.54 -1.32 0.00 0.00 176.35 176.28 3i9f s LYS 117 N 0.21 1.89 0.38 1.98 1.02 -0.16 -4.46 119.74 120.61 3i9f s LYS 117 Ca 0.47 1.53 0.12 0.00 0.02 0.00 0.00 55.97 58.11 3i9f s LYS 117 Cb -0.22 -1.83 0.93 0.00 -0.52 0.00 0.00 37.83 36.19 3i9f s LYS 117 CO 0.28 -1.98 1.86 -0.44 -0.92 0.00 0.00 175.35 174.16 3i9f h ASP 118 N -0.93 0.55 -0.43 2.83 3.32 -1.94 -1.11 116.42 118.71 3i9f h ASP 118 Ca -0.45 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3i9f h ASP 118 Cb 1.27 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3i9f h ASP 118 CO 0.48 0.25 0.00 -0.90 -1.72 0.00 0.00 179.24 177.35 3i9f n ASP 119 N -4.55 2.33 -4.53 6.45 5.68 -1.26 -4.75 116.55 115.92 3i9f n ASP 119 Ca 0.18 -2.02 -0.29 0.00 -0.50 0.00 0.00 54.79 52.16 3i9f n ASP 119 Cb 0.56 -0.30 0.15 0.00 -1.14 0.00 0.00 41.12 40.39 3i9f n ASP 119 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3i9f s GLY 120 N -0.98 1.64 0.06 6.12 0.00 -0.42 -5.06 107.32 108.67 3i9f s GLY 120 Ca 0.29 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 44.24 3i9f s GLY 120 CO 0.19 -0.17 -0.11 0.50 0.00 0.00 0.00 173.10 173.51 3i9f s ARG 121 N -5.56 0.68 -0.13 2.90 1.81 0.41 -4.60 118.95 114.46 3i9f s ARG 121 Ca 0.67 -0.85 -0.00 0.00 -1.72 0.00 0.00 55.73 53.83 3i9f s ARG 121 Cb -0.10 -0.57 -0.02 0.00 -0.45 0.00 0.00 34.95 33.82 3i9f s ARG 121 CO 0.52 0.12 -0.13 0.08 -0.68 0.00 0.00 175.30 175.21 3i9f s VAL 122 N -1.31 3.09 -0.18 3.52 1.01 -0.90 -1.26 120.40 124.38 3i9f s VAL 122 Ca -0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3i9f s VAL 122 Cb -0.10 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 3i9f s VAL 122 CO 0.01 0.53 -0.09 -0.63 0.00 0.00 0.00 175.10 174.92 3i9f s ILE 123 N 0.27 3.16 -0.15 2.22 1.01 0.17 -0.71 121.20 127.17 3i9f s ILE 123 Ca -0.09 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 3i9f s ILE 123 Cb -0.15 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3i9f s ILE 123 CO 0.05 0.48 -0.10 -0.63 0.00 0.00 0.00 174.94 174.74 3i9f s ILE 124 N 0.94 3.25 -0.10 2.92 -1.09 -0.42 -1.25 121.20 125.45 3i9f s ILE 124 Ca -0.02 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 3i9f s ILE 124 Cb -0.15 -2.40 0.02 0.00 -1.58 0.00 0.00 42.46 38.36 3i9f s ILE 124 CO -0.00 0.50 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.50 3i9f s ILE 125 N 0.57 1.01 0.18 2.92 1.01 -0.61 -0.72 121.20 125.56 3i9f s ILE 125 Ca -0.06 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 3i9f s ILE 125 Cb -0.15 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.31 3i9f s ILE 125 CO 0.03 0.36 0.39 -0.62 0.00 0.00 0.00 174.94 175.10 3i9f s ASP 126 N 1.51 -0.09 0.46 3.58 -1.08 -0.94 0.15 116.67 120.27 3i9f s ASP 126 Ca 0.01 -0.72 -0.24 0.00 -0.52 0.00 0.00 52.55 51.07 3i9f s ASP 126 Cb -0.13 0.50 -0.07 0.00 -1.46 0.00 0.00 42.92 41.76 3i9f s ASP 126 CO -0.06 -0.98 1.33 0.26 0.52 0.00 0.00 175.17 176.25 3i9f s TRP 127 N -3.93 2.59 0.41 -5.34 0.52 -1.26 -0.86 118.94 111.06 3i9f s TRP 127 Ca 0.14 1.38 -0.23 0.00 0.02 0.00 0.00 56.10 57.41 3i9f s TRP 127 Cb 0.01 -3.73 -0.09 0.00 -1.15 0.00 0.00 33.47 28.51 3i9f s TRP 127 CO -0.00 -2.46 1.05 1.03 0.02 0.00 0.00 176.95 176.59 3i9f s ARG 128 N -2.53 4.10 -1.48 4.98 0.52 -0.41 -4.56 118.95 119.56 3i9f s ARG 128 Ca 0.63 1.50 -0.09 0.00 -0.52 0.00 0.00 55.73 57.24 3i9f s ARG 128 Cb -0.39 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 32.63 3i9f s ARG 128 CO 0.49 -0.20 2.58 1.17 0.02 0.00 0.00 175.30 179.35 3i9f n LYS 129 N -0.22 3.83 -4.05 3.54 4.81 -1.26 -4.81 118.16 119.99 3i9f n LYS 129 Ca 0.06 -2.76 -0.08 0.00 -0.87 0.00 0.00 58.31 54.66 3i9f n LYS 129 Cb 0.50 -2.84 -0.09 0.00 0.02 0.00 0.00 35.03 32.62 3i9f n LYS 129 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3i9f s GLU 130 N 1.17 0.70 -0.25 1.64 2.02 -1.26 -5.07 118.70 117.66 3i9f s GLU 130 Ca 0.59 -1.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.09 3i9f s GLU 130 Cb 0.17 0.24 -0.01 0.00 0.10 0.00 0.00 34.13 34.63 3i9f s GLU 130 CO -0.07 -0.16 1.41 1.21 0.02 0.00 0.00 175.26 177.67 3i9f s ASN 131 N -2.93 6.60 -0.02 -0.19 3.84 -1.26 -4.81 114.94 116.18 3i9f s ASN 131 Ca 0.09 1.44 0.14 0.00 0.21 0.00 0.00 52.86 54.73 3i9f s ASN 131 Cb 0.07 -2.54 -0.21 0.00 -0.55 0.00 0.00 41.25 38.03 3i9f s ASN 131 CO -0.08 -1.10 0.30 0.35 -2.79 0.00 0.00 177.10 173.78 3i9f n THR 132 N 6.15 0.00 0.00 -5.21 -2.24 -1.26 -5.03 114.28 106.69 3i9f n THR 132 Ca 0.16 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3i9f n THR 132 Cb 0.46 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3i9f n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i9f n GLY 133 N 1.73 2.82 4.00 3.38 0.00 -1.26 -4.97 105.19 110.88 3i9f n GLY 133 Ca -0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 3i9f n GLY 133 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i9f s ILE 134 N 0.00 2.84 0.00 -0.61 -4.36 -1.26 -5.02 121.20 112.79 3i9f s ILE 134 Ca 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 60.65 59.51 3i9f s ILE 134 Cb 0.00 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.75 3i9f s ILE 134 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3i9f n GLY 135 N -2.05 -1.80 3.93 6.27 0.00 -1.26 -4.99 105.19 105.28 3i9f n GLY 135 Ca 0.08 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 3i9f n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i9f s PRO 136 N 0.00 2.81 0.28 1.61 0.04 -1.26 -5.01 135.00 133.48 3i9f s PRO 136 Ca 0.00 -0.17 -0.27 0.00 0.04 0.00 0.00 61.00 60.60 3i9f s PRO 136 Cb 0.00 -2.32 -0.15 0.00 0.04 0.00 0.00 34.50 32.08 3i9f s PRO 136 CO 0.00 -0.71 0.79 -2.30 0.04 0.00 0.00 177.00 174.82 3i9f n PRO 137 N -2.54 0.82 0.20 0.56 -0.02 -1.26 -4.90 135.00 127.86 3i9f n PRO 137 Ca 0.05 0.29 0.06 0.00 -2.02 0.00 0.00 63.50 61.87 3i9f n PRO 137 Cb 0.58 -1.53 0.40 0.00 -0.02 0.00 0.00 33.50 32.93 3i9f n PRO 137 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i9f h LEU 138 N 1.51 0.00 -1.22 2.45 5.85 -1.95 -2.95 115.31 119.00 3i9f h LEU 138 Ca -0.36 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.28 3i9f h LEU 138 Cb 1.38 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3i9f h LEU 138 CO 0.58 0.34 -0.39 0.77 -0.34 0.00 0.00 178.44 179.41 3i9f h SER 139 N 0.00 0.00 0.97 1.25 4.64 -2.01 -2.73 113.55 115.67 3i9f h SER 139 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i9f h SER 139 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3i9f h SER 139 CO 0.04 0.39 -0.18 0.00 -0.87 0.00 0.00 176.83 176.21 3i9f n ILE 140 N -4.01 0.16 -2.58 0.95 0.13 -1.12 -4.94 119.36 107.95 3i9f n ILE 140 Ca -0.02 -0.09 -0.35 0.00 -1.10 0.00 0.00 62.75 61.20 3i9f n ILE 140 Cb 0.43 -0.31 -0.04 0.00 -0.84 0.00 0.00 39.64 38.87 3i9f n ILE 140 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 3i9f s ARG 141 N -3.04 3.98 0.11 9.51 0.52 -1.03 -4.77 118.95 124.22 3i9f s ARG 141 Ca 0.12 1.38 0.08 0.00 -0.52 0.00 0.00 55.73 56.79 3i9f s ARG 141 Cb 0.17 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 3i9f s ARG 141 CO 0.60 -0.28 -0.21 -1.64 0.02 0.00 0.00 175.30 173.79 3i9f s MET 142 N -2.97 1.14 0.21 3.54 -1.94 -1.26 -4.97 119.30 113.04 3i9f s MET 142 Ca 0.63 -1.18 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 3i9f s MET 142 Cb -0.17 -1.40 0.01 0.00 2.01 0.00 0.00 34.83 35.28 3i9f s MET 142 CO 0.22 0.32 0.12 -0.40 -0.01 0.00 0.00 175.02 175.27 3i9f n ASP 143 N 1.05 1.89 -0.24 3.03 5.68 -1.26 -4.51 116.55 122.19 3i9f n ASP 143 Ca -0.19 -1.77 -0.05 0.00 -0.50 0.00 0.00 54.79 52.28 3i9f n ASP 143 Cb 0.54 0.02 0.05 0.00 -1.14 0.00 0.00 41.12 40.59 3i9f n ASP 143 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3i9f h GLU 144 N 0.00 0.86 -0.30 0.11 4.81 -1.99 -1.15 114.58 116.91 3i9f h GLU 144 Ca -0.14 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.99 3i9f h GLU 144 Cb 0.50 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3i9f h GLU 144 CO 0.23 0.57 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.83 3i9f h LYS 145 N 0.88 0.47 -0.43 1.92 3.64 -1.98 -1.12 116.57 119.96 3i9f h LYS 145 Ca 0.25 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3i9f h LYS 145 Cb -0.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3i9f h LYS 145 CO -0.06 0.52 -0.24 -0.44 -2.27 0.00 0.00 179.45 176.96 3i9f h ASP 146 N 0.45 0.95 -0.67 4.20 3.32 -1.69 -3.11 116.42 119.86 3i9f h ASP 146 Ca 0.10 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 3i9f h ASP 146 Cb 0.34 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3i9f h ASP 146 CO 0.01 1.15 0.21 1.88 -1.72 0.00 0.00 179.24 180.78 3i9f h TYR 147 N 0.75 1.08 0.00 4.55 0.05 -0.45 -2.63 116.97 120.32 3i9f h TYR 147 Ca 0.09 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3i9f h TYR 147 Cb 0.81 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.24 3i9f h TYR 147 CO 0.06 0.87 0.00 -1.33 -1.05 0.00 0.00 178.16 176.71 3i9f n MET 148 N -4.33 0.93 0.05 4.88 2.81 -0.50 -0.81 117.12 120.14 3i9f n MET 148 Ca 0.05 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.73 3i9f n MET 148 Cb 0.22 -1.42 -0.15 0.00 -0.71 0.00 0.00 33.22 31.16 3i9f n MET 148 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3i9f h GLY 149 N 4.80 0.35 0.83 3.03 0.00 -1.40 -3.32 103.07 107.36 3i9f h GLY 149 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 47.33 46.30 3i9f h GLY 149 CO 0.00 0.78 -0.45 1.49 0.00 0.00 0.00 176.54 178.36 3i9f h TRP 150 N -0.30 0.65 -0.73 5.60 4.06 -1.35 -3.30 115.95 120.57 3i9f h TRP 150 Ca -0.20 -0.28 -0.40 0.00 2.06 0.00 0.00 58.89 60.07 3i9f h TRP 150 Cb 1.73 -0.10 -0.14 0.00 -1.00 0.00 0.00 29.16 29.64 3i9f h TRP 150 CO 0.17 1.05 0.24 1.19 -3.56 0.00 0.00 178.44 177.52 3i9f n PHE 151 N -4.28 1.23 0.37 0.49 3.01 0.01 -4.74 117.46 113.56 3i9f n PHE 151 Ca -0.08 -1.83 0.13 0.00 1.01 0.00 0.00 57.45 56.68 3i9f n PHE 151 Cb 0.57 -1.32 0.54 0.00 -0.01 0.00 0.00 39.48 39.26 3i9f n PHE 151 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3i9f h SER 152 N 2.67 0.00 -0.33 4.37 4.64 -1.66 -1.40 113.55 121.84 3i9f h SER 152 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3i9f h SER 152 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3i9f h SER 152 CO 0.71 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.26 3i9f n ASN 153 N -2.47 3.05 -4.39 4.97 4.13 -1.26 -4.93 115.26 114.36 3i9f n ASN 153 Ca 0.02 -2.34 -0.19 0.00 1.68 0.00 0.00 54.58 53.75 3i9f n ASN 153 Cb 0.26 -0.49 -0.10 0.00 -1.54 0.00 0.00 39.78 37.90 3i9f n ASN 153 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3i9f s PHE 154 N -1.79 1.79 0.03 3.10 0.08 -0.53 -0.60 117.98 120.06 3i9f s PHE 154 Ca 0.28 -0.85 0.01 0.00 0.12 0.00 0.00 56.93 56.49 3i9f s PHE 154 Cb 0.19 -1.06 -0.02 0.00 -0.57 0.00 0.00 43.02 41.56 3i9f s PHE 154 CO 0.11 0.08 -0.05 0.14 -0.10 0.00 0.00 175.22 175.41 3i9f s VAL 155 N -3.25 0.32 0.09 -0.44 -7.23 0.65 -4.72 120.40 105.82 3i9f s VAL 155 Ca 0.30 -1.10 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 3i9f s VAL 155 Cb 0.06 -0.56 -0.06 0.00 0.56 0.00 0.00 36.38 36.38 3i9f s VAL 155 CO 0.11 -0.51 1.08 -0.69 -0.31 0.00 0.00 175.10 174.78 3i9f s VAL 156 N -1.72 4.28 -0.15 1.32 1.01 -1.26 -1.01 120.40 122.86 3i9f s VAL 156 Ca -0.11 1.76 0.09 0.00 0.00 0.00 0.00 61.98 63.72 3i9f s VAL 156 Cb -0.08 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 32.03 3i9f s VAL 156 CO -0.01 0.20 -0.02 1.21 0.00 0.00 0.00 175.10 176.48 3i9f n GLU 157 N 3.30 1.31 -3.89 2.72 2.13 0.72 -4.93 120.64 122.01 3i9f n GLU 157 Ca 0.05 0.03 -0.09 0.00 0.66 0.00 0.00 57.16 57.81 3i9f n GLU 157 Cb 0.48 -1.35 -0.08 0.00 0.27 0.00 0.00 31.44 30.76 3i9f n GLU 157 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3i9f s LYS 158 N -2.34 0.74 0.33 5.31 1.02 -1.14 -4.99 119.74 118.67 3i9f s LYS 158 Ca -0.13 -0.86 0.10 0.00 0.02 0.00 0.00 55.97 55.10 3i9f s LYS 158 Cb 0.05 0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 37.60 3i9f s LYS 158 CO 0.51 -0.22 -0.11 1.03 -0.92 0.00 0.00 175.35 175.64 3i9f s ARG 159 N -3.32 1.82 0.23 1.68 0.52 -1.26 -1.74 118.95 116.88 3i9f s ARG 159 Ca 0.01 -1.87 -0.22 0.00 -0.52 0.00 0.00 55.73 53.12 3i9f s ARG 159 Cb 0.03 -1.75 0.04 0.00 0.52 0.00 0.00 34.95 33.79 3i9f s ARG 159 CO -0.08 0.19 0.84 -0.59 0.02 0.00 0.00 175.30 175.68 3i9f s PHE 160 N -2.57 -0.13 -0.47 -0.53 -0.12 -0.76 -4.96 117.98 108.43 3i9f s PHE 160 Ca 0.32 -0.27 0.03 0.00 -0.05 0.00 0.00 56.93 56.96 3i9f s PHE 160 Cb 0.00 0.69 0.14 0.00 -0.63 0.00 0.00 43.02 43.23 3i9f s PHE 160 CO 0.16 -1.07 0.28 -0.80 -0.05 0.00 0.00 175.22 173.75 3i9f s ASN 161 N -2.96 3.53 0.18 1.98 0.01 -1.26 -1.95 114.94 114.47 3i9f s ASN 161 Ca 0.12 -2.84 -0.13 0.00 -0.71 0.00 0.00 52.86 49.30 3i9f s ASN 161 Cb -0.04 -1.04 0.14 0.00 0.41 0.00 0.00 41.25 40.73 3i9f s ASN 161 CO 0.05 -0.23 1.76 -0.65 -1.51 0.00 0.00 177.10 176.53 3i9f h PRO 162 N 6.42 0.39 -4.74 -0.60 0.11 -1.87 -3.44 132.00 128.26 3i9f h PRO 162 Ca 0.05 -0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.72 3i9f h PRO 162 Cb 0.90 -0.09 -0.13 0.00 0.11 0.00 0.00 31.00 31.80 3i9f h PRO 162 CO 0.50 0.26 -0.46 0.95 -0.21 0.00 0.00 178.00 179.03 3i9f s THR 163 N -6.13 0.00 0.50 -1.15 -4.23 -1.26 -4.86 115.64 98.51 3i9f s THR 163 Ca -0.13 -1.94 0.25 0.00 -1.18 0.00 0.00 61.69 58.69 3i9f s THR 163 Cb 0.14 -2.52 0.30 0.00 1.34 0.00 0.00 72.50 71.76 3i9f s THR 163 CO 0.73 0.00 2.14 -0.65 -0.54 0.00 0.00 174.62 176.30 3i9f h PRO 164 N 2.20 0.00 -0.36 3.99 0.10 -2.03 -3.15 132.00 132.75 3i9f h PRO 164 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.83 3i9f h PRO 164 Cb 1.24 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.34 3i9f h PRO 164 CO 0.39 0.07 0.00 0.66 0.10 0.00 0.00 178.00 179.22 3i9f n TYR 165 N -3.94 0.47 -4.29 0.65 4.01 -1.26 -4.95 117.16 107.85 3i9f n TYR 165 Ca -0.03 -0.24 -0.16 0.00 -0.16 0.00 0.00 57.90 57.32 3i9f n TYR 165 Cb 0.16 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.09 3i9f n TYR 165 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3i9f s HIS 166 N -1.53 1.41 0.25 -0.72 3.76 -1.19 -1.29 115.29 115.98 3i9f s HIS 166 Ca 0.37 -0.89 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 3i9f s HIS 166 Cb 0.21 -0.79 -0.05 0.00 1.11 0.00 0.00 32.58 33.06 3i9f s HIS 166 CO 0.29 -0.04 0.06 -0.59 -0.85 0.00 0.00 174.74 173.61 3i9f s PHE 167 N -3.44 1.58 -0.07 1.40 -0.12 -0.04 -4.40 117.98 112.89 3i9f s PHE 167 Ca 0.24 -1.06 -0.07 0.00 -0.05 0.00 0.00 56.93 55.99 3i9f s PHE 167 Cb 0.05 -0.94 0.02 0.00 -0.63 0.00 0.00 43.02 41.51 3i9f s PHE 167 CO 0.05 -0.19 0.19 0.20 -0.05 0.00 0.00 175.22 175.42 3i9f s GLY 168 N -3.33 -0.14 0.06 1.99 0.00 -0.82 -2.21 107.32 102.88 3i9f s GLY 168 Ca 0.34 0.51 0.05 0.00 0.00 0.00 0.00 44.72 45.61 3i9f s GLY 168 CO 0.12 0.43 -0.13 1.08 0.00 0.00 0.00 173.10 174.59 3i9f s LEU 169 N 0.02 2.26 -0.11 0.66 1.43 0.10 -1.83 118.68 121.21 3i9f s LEU 169 Ca -0.01 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 3i9f s LEU 169 Cb -0.02 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.73 3i9f s LEU 169 CO 0.00 -0.08 -0.20 -0.69 0.23 0.00 0.00 176.35 175.61 3i9f s VAL 170 N -1.22 1.85 0.14 -1.59 1.01 -0.71 -1.30 120.40 118.59 3i9f s VAL 170 Ca -0.03 -0.88 0.11 0.00 0.00 0.00 0.00 61.98 61.18 3i9f s VAL 170 Cb -0.10 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3i9f s VAL 170 CO 0.02 0.51 -0.24 -0.76 0.00 0.00 0.00 175.10 174.63 3i9f s LEU 171 N 0.66 2.43 0.06 3.92 1.02 0.11 -0.20 118.68 126.68 3i9f s LEU 171 Ca -0.12 -0.73 -0.03 0.00 0.02 0.00 0.00 54.13 53.27 3i9f s LEU 171 Cb -0.16 -1.29 -0.03 0.00 0.02 0.00 0.00 46.19 44.73 3i9f s LEU 171 CO 0.03 0.17 0.03 -1.59 0.02 0.00 0.00 176.35 175.00 3i9f s LYS 172 N -2.20 0.66 0.30 1.70 -2.85 -0.18 -2.11 119.74 115.06 3i9f s LYS 172 Ca 0.16 -1.13 -0.29 0.00 -1.00 0.00 0.00 55.97 53.71 3i9f s LYS 172 Cb -0.10 0.24 -0.10 0.00 -2.06 0.00 0.00 37.83 35.82 3i9f s LYS 172 CO 0.08 -0.15 1.27 1.03 0.10 0.00 0.00 175.35 177.68 3i9f s ARG 173 N -3.81 4.42 0.14 1.78 0.52 -1.26 -0.25 118.95 120.48 3i9f s ARG 173 Ca 0.06 2.11 -0.33 0.00 -0.52 0.00 0.00 55.73 57.04 3i9f s ARG 173 Cb 0.07 -3.12 -0.13 0.00 0.52 0.00 0.00 34.95 32.29 3i9f s ARG 173 CO -0.10 -0.12 1.65 1.63 0.02 0.00 0.00 175.30 178.38 3i9f n LYS 174 N 1.22 2.32 -1.67 3.54 5.02 0.23 -4.75 118.16 124.07 3i9f n LYS 174 Ca 0.01 0.84 -0.47 0.00 -2.02 0.00 0.00 58.31 56.67 3i9f n LYS 174 Cb 0.42 -2.64 -0.04 0.00 -0.02 0.00 0.00 35.03 32.75 3i9f n LYS 174 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3i9f n THR 175 N 3.77 0.17 -4.36 -0.18 5.66 -1.26 -4.98 114.28 113.09 3i9f n THR 175 Ca 0.17 -0.03 -0.32 0.00 -3.05 0.00 0.00 64.05 60.83 3i9f n THR 175 Cb 0.31 -1.60 -0.10 0.00 -1.55 0.00 0.00 70.33 67.38 3i9f n THR 175 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3i9f s SER 176 N 1.81 4.73 -0.01 1.09 1.04 -1.26 -5.03 113.70 116.07 3i9f s SER 176 Ca 0.83 -0.16 0.07 0.00 0.48 0.00 0.00 55.95 57.17 3i9f s SER 176 Cb -0.70 -1.11 -0.09 0.00 0.10 0.00 0.00 66.02 64.23 3i9f s SER 176 CO 0.42 0.26 0.20 1.21 0.98 0.00 0.00 173.24 176.30 3i9f n GLU 177 N 1.31 1.86 0.00 4.02 2.13 -1.26 -5.04 120.64 123.66 3i9f n GLU 177 Ca -0.14 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.64 3i9f n GLU 177 Cb 0.52 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 31.20 3i9f n GLU 177 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i9f n GLY 178 N 1.77 -1.81 3.70 8.31 0.00 -1.26 -5.00 105.19 110.90 3i9f n GLY 178 Ca -0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 3i9f n GLY 178 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i9f s HIS 179 N 0.00 2.21 -0.56 1.61 3.76 -1.26 -5.04 115.29 116.01 3i9f s HIS 179 Ca 0.00 1.12 0.04 0.00 -0.15 0.00 0.00 55.06 56.07 3i9f s HIS 179 Cb 0.00 -3.21 0.15 0.00 1.11 0.00 0.00 32.58 30.63 3i9f s HIS 179 CO 0.00 -2.64 0.37 -1.58 -0.85 0.00 0.00 174.74 170.04 3i9f s HIS 180 N -2.95 2.68 -0.58 1.40 2.46 -1.26 -4.97 115.29 112.07 3i9f s HIS 180 Ca 0.64 -2.91 0.25 0.00 0.47 0.00 0.00 55.06 53.52 3i9f s HIS 180 Cb -0.18 -2.21 0.73 0.00 -0.13 0.00 0.00 32.58 30.79 3i9f s HIS 180 CO 0.57 -0.68 1.74 0.45 -2.47 0.00 0.00 174.74 174.35 3i9f h HIS 181 N 5.93 0.00 -0.95 3.88 3.86 -2.06 -3.45 115.15 122.37 3i9f h HIS 181 Ca 0.09 0.00 -0.75 0.00 -1.16 0.00 0.00 60.37 58.56 3i9f h HIS 181 Cb 0.84 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 3i9f h HIS 181 CO 0.54 0.00 1.12 1.58 0.86 0.00 0.00 177.93 182.03 3i9f n HIS 182 N -2.53 1.67 -2.42 2.45 -0.00 -1.26 -4.89 115.22 108.23 3i9f n HIS 182 Ca 0.04 0.61 -0.38 0.00 -0.00 0.00 0.00 57.72 57.99 3i9f n HIS 182 Cb 0.43 -2.40 -0.03 0.00 -0.00 0.00 0.00 29.99 27.98 3i9f n HIS 182 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3i9f s HIS 183 N 5.14 3.24 -0.42 1.57 3.76 -1.26 -5.11 115.29 122.21 3i9f s HIS 183 Ca 1.08 1.62 0.03 0.00 -0.15 0.00 0.00 55.06 57.64 3i9f s HIS 183 Cb -1.18 -3.28 0.03 0.00 1.11 0.00 0.00 32.58 29.26 3i9f s HIS 183 CO 0.64 -0.92 0.61 0.72 -0.85 0.00 0.00 174.74 174.94