#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9f h LEU 17 N 0.00 0.20 -9.39 2.46 5.85 -2.08 -3.43 115.31 108.93 3i9f h LEU 17 Ca 0.00 -0.41 -0.55 0.00 0.84 0.00 0.00 57.88 57.76 3i9f h LEU 17 Cb 0.00 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3i9f h LEU 17 CO 0.00 0.57 0.30 -1.61 -0.34 0.00 0.00 178.44 177.36 3i9f s GLU 18 N -4.58 4.52 -0.71 1.25 2.02 -1.26 -4.91 118.70 115.03 3i9f s GLU 18 Ca -0.15 1.27 0.05 0.00 0.02 0.00 0.00 54.97 56.16 3i9f s GLU 18 Cb 0.04 -3.46 0.17 0.00 0.10 0.00 0.00 34.13 30.98 3i9f s GLU 18 CO 0.71 -0.04 0.52 0.54 0.02 0.00 0.00 175.26 177.01 3i9f n ARG 19 N 3.94 1.90 0.29 1.61 3.00 -1.26 -4.99 116.66 121.15 3i9f n ARG 19 Ca 0.04 -4.51 0.18 0.00 -0.01 0.00 0.00 57.85 53.56 3i9f n ARG 19 Cb 0.51 -2.29 0.84 0.00 0.00 0.00 0.00 32.46 31.51 3i9f n ARG 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 3i9f h PRO 20 N 5.35 0.00 -0.34 5.56 0.11 -1.94 -0.28 132.00 140.45 3i9f h PRO 20 Ca 0.15 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.36 3i9f h PRO 20 Cb 0.75 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 3i9f h PRO 20 CO 0.73 0.02 0.52 0.93 -0.21 0.00 0.00 178.00 179.99 3i9f h GLU 21 N 0.00 0.00 0.00 1.05 5.08 -1.99 -0.88 114.58 117.83 3i9f h GLU 21 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i9f h GLU 21 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3i9f h GLU 21 CO 0.00 0.00 -0.58 0.93 -1.00 0.00 0.00 179.01 178.36 3i9f h GLU 22 N 0.00 0.00 0.00 2.33 5.08 -1.47 -3.41 114.58 117.11 3i9f h GLU 22 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3i9f h GLU 22 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3i9f h GLU 22 CO -0.00 0.00 -0.25 2.48 -1.00 0.00 0.00 179.01 180.24 3i9f n TYR 23 N -2.35 0.00 -0.03 4.33 4.11 -1.00 -4.88 117.16 117.34 3i9f n TYR 23 Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.84 3i9f n TYR 23 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.78 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 -0.02 -0.57 -3.48 3.38 -1.42 -3.22 115.31 109.97 3i9f h LEU 24 Ca 0.00 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3i9f h LEU 24 Cb 0.20 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3i9f h LEU 24 CO 0.00 0.01 0.31 -0.65 0.09 0.00 0.00 178.44 178.21 3i9f h PRO 25 N 0.08 0.58 -0.72 1.13 0.11 -1.79 0.22 132.00 131.62 3i9f h PRO 25 Ca 0.08 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 66.35 3i9f h PRO 25 Cb 0.08 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 3i9f h PRO 25 CO -0.12 0.39 0.51 -0.97 -0.21 0.00 0.00 178.00 177.60 3i9f h ASN 26 N 0.60 0.08 0.01 -2.05 -0.73 -1.89 0.59 115.58 112.18 3i9f h ASN 26 Ca 0.25 0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.38 3i9f h ASN 26 Cb 0.12 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.71 3i9f h ASN 26 CO -0.15 0.03 -0.19 0.40 -0.37 0.00 0.00 177.43 177.15 3i9f h ILE 27 N 0.08 1.61 0.00 2.57 2.04 -0.62 -3.38 117.51 119.80 3i9f h ILE 27 Ca 0.35 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 64.16 3i9f h ILE 27 Cb 1.27 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 40.29 3i9f h ILE 27 CO -0.03 0.55 -0.60 0.49 0.00 0.00 0.00 178.15 178.56 3i9f n PHE 28 N -4.54 0.17 0.03 1.37 3.01 -0.55 -4.70 117.46 112.25 3i9f n PHE 28 Ca -0.10 0.05 -0.09 0.00 1.01 0.00 0.00 57.45 58.32 3i9f n PHE 28 Cb 0.50 -0.37 -0.05 0.00 -0.01 0.00 0.00 39.48 39.54 3i9f n PHE 28 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3i9f h GLU 29 N 0.00 -0.36 -1.03 -1.08 5.08 -1.09 0.87 114.58 116.97 3i9f h GLU 29 Ca 0.00 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.65 3i9f h GLU 29 Cb 0.59 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 3i9f h GLU 29 CO 0.00 -0.24 0.69 0.78 -1.00 0.00 0.00 179.01 179.24 3i9f h GLY 30 N -0.37 0.81 -6.54 -3.84 0.00 -1.86 -3.38 103.07 87.89 3i9f h GLY 30 Ca 0.01 -0.14 -0.60 0.00 0.00 0.00 0.00 47.33 46.59 3i9f h GLY 30 CO -0.20 -0.08 -0.77 0.58 0.00 0.00 0.00 176.54 176.07 3i9f n LYS 31 N -4.49 1.34 -2.04 4.80 2.85 0.30 -5.09 118.16 115.83 3i9f n LYS 31 Ca 0.24 -3.96 -0.37 0.00 -1.05 0.00 0.00 58.31 53.16 3i9f n LYS 31 Cb 0.92 -1.94 0.02 0.00 -0.65 0.00 0.00 35.03 33.37 3i9f n LYS 31 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3i9f s LYS 32 N -1.20 3.36 0.00 -1.58 1.02 -1.24 -4.88 119.74 115.22 3i9f s LYS 32 Ca 0.32 1.94 0.00 0.00 0.02 0.00 0.00 55.97 58.24 3i9f s LYS 32 Cb 0.05 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3i9f s LYS 32 CO -0.14 -0.93 0.00 0.41 -0.92 0.00 0.00 175.35 173.78 3i9f n GLY 33 N 0.55 0.52 3.64 -3.33 0.00 -0.73 -4.88 105.19 100.96 3i9f n GLY 33 Ca 0.10 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 4.67 0.08 1.61 1.01 -1.26 -0.45 120.40 124.06 3i9f s VAL 34 Ca 0.00 1.75 0.09 0.00 0.00 0.00 0.00 61.98 63.82 3i9f s VAL 34 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3i9f s VAL 34 CO 0.00 -0.26 -0.23 -0.63 0.00 0.00 0.00 175.10 173.98 3i9f s ILE 35 N 3.23 2.46 -0.12 2.22 1.01 -0.55 -0.40 121.20 129.06 3i9f s ILE 35 Ca 0.41 -1.48 0.01 0.00 0.00 0.00 0.00 60.65 59.60 3i9f s ILE 35 Cb -0.14 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.30 3i9f s ILE 35 CO 0.10 0.23 -0.15 -0.69 0.00 0.00 0.00 174.94 174.42 3i9f s VAL 36 N -0.97 1.55 -0.56 2.92 1.01 0.86 -1.80 120.40 123.40 3i9f s VAL 36 Ca 0.14 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 3i9f s VAL 36 Cb -0.10 -1.42 0.08 0.00 0.00 0.00 0.00 36.38 34.94 3i9f s VAL 36 CO 0.05 0.45 0.72 -0.62 0.00 0.00 0.00 175.10 175.70 3i9f s ASP 37 N 1.08 6.21 -0.48 3.32 2.15 0.11 -0.85 116.67 128.20 3i9f s ASP 37 Ca -0.04 -1.12 -0.18 0.00 0.43 0.00 0.00 52.55 51.63 3i9f s ASP 37 Cb -0.14 -2.32 0.05 0.00 -0.30 0.00 0.00 42.92 40.21 3i9f s ASP 37 CO -0.03 -1.07 0.55 -0.47 -0.17 0.00 0.00 175.17 173.97 3i9f s TYR 38 N 2.90 3.11 0.00 -5.34 6.14 -0.28 -1.13 117.35 122.75 3i9f s TYR 38 Ca 0.15 -0.55 0.00 0.00 0.64 0.00 0.00 57.07 57.31 3i9f s TYR 38 Cb -0.21 -3.34 0.00 0.00 0.42 0.00 0.00 41.96 38.84 3i9f s TYR 38 CO 0.10 -0.92 0.00 0.41 0.64 0.00 0.00 175.55 175.78 3i9f n GLY 39 N 5.16 0.46 0.12 8.97 0.00 0.55 -4.49 105.19 115.96 3i9f n GLY 39 Ca -0.07 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.57 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 1.29 2.24 0.27 0.00 0.00 -1.26 -0.65 105.19 107.08 3i9f n GLY 41 Ca -0.03 0.38 0.13 0.00 0.00 0.00 0.00 46.02 46.50 3i9f n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i9f n ASN 42 N 3.60 -0.05 0.00 1.61 5.15 -1.26 -4.73 115.26 119.58 3i9f n ASN 42 Ca 0.00 1.34 0.00 0.00 -0.60 0.00 0.00 54.58 55.32 3i9f n ASN 42 Cb 0.00 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 3i9f n ASN 42 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i9f n GLY 43 N -1.38 0.69 0.19 8.20 0.00 0.17 -4.91 105.19 108.15 3i9f n GLY 43 Ca 0.20 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 0.43 0.00 1.61 3.57 -1.88 -3.01 116.94 117.66 3i9f h PHE 44 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3i9f h PHE 44 Cb 0.00 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3i9f h PHE 44 CO 0.00 0.22 0.00 0.66 -2.23 0.00 0.00 178.31 176.96 3i9f n TYR 45 N -4.89 0.72 -0.19 0.41 4.01 -1.26 -4.17 117.16 111.78 3i9f n TYR 45 Ca 0.03 0.21 -0.02 0.00 -0.16 0.00 0.00 57.90 57.96 3i9f n TYR 45 Cb 0.11 -0.85 0.08 0.00 -0.31 0.00 0.00 39.34 38.37 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 0.36 -0.19 0.00 2.10 -1.79 0.12 116.57 117.65 3i9f h LYS 47 Ca 0.27 -0.11 -0.19 0.00 -2.00 0.00 0.00 60.65 58.62 3i9f h LYS 47 Cb 0.24 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3i9f h LYS 47 CO -0.22 0.53 -0.65 1.88 -2.00 0.00 0.00 179.45 178.99 3i9f h TYR 48 N 0.34 0.93 0.00 0.07 0.05 -1.66 -3.19 116.97 113.50 3i9f h TYR 48 Ca 0.06 -0.37 -0.12 0.00 0.05 0.00 0.00 58.73 58.35 3i9f h TYR 48 Cb 0.51 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 3i9f h TYR 48 CO 0.01 1.17 -0.58 -0.07 -1.05 0.00 0.00 178.16 177.64 3i9f h LEU 49 N 0.52 0.00 -1.21 3.88 3.38 -0.54 -3.21 115.31 118.13 3i9f h LEU 49 Ca -0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3i9f h LEU 49 Cb 1.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 3i9f h LEU 49 CO 0.13 0.58 0.56 -0.07 0.09 0.00 0.00 178.44 179.73 3i9f h LEU 50 N 0.00 0.81 0.00 1.67 3.38 -0.76 -1.06 115.31 119.35 3i9f h LEU 50 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i9f h LEU 50 Cb 1.13 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3i9f h LEU 50 CO 0.07 0.50 0.00 -1.84 0.09 0.00 0.00 178.44 177.27 3i9f n GLU 51 N -4.51 0.44 0.00 1.13 0.28 -1.21 -3.15 120.64 113.62 3i9f n GLU 51 Ca 0.14 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 3i9f n GLU 51 Cb 0.25 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.62 3i9f n GLU 51 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i9f n PHE 52 N -1.03 0.00 -3.79 -1.84 3.72 -0.44 -5.07 117.46 109.01 3i9f n PHE 52 Ca 0.11 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.14 3i9f n PHE 52 Cb 0.06 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.48 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 -0.35 3.26 0.16 4.37 0.00 -0.94 -1.78 121.76 126.50 3i9f s ALA 53 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 3i9f s ALA 53 Cb 0.00 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 21.05 3i9f s ALA 53 CO 0.00 -0.35 1.62 1.79 0.00 0.00 0.00 175.76 178.82 3i9f h THR 54 N 5.38 1.26 -4.01 0.00 1.35 -1.10 -3.44 112.91 112.35 3i9f h THR 54 Ca -0.37 -1.08 -0.39 0.00 -0.55 0.00 0.00 66.41 64.02 3i9f h THR 54 Cb 1.18 0.90 -0.25 0.00 -1.73 0.00 0.00 68.15 68.24 3i9f h THR 54 CO 0.60 0.38 -0.77 -0.54 -0.25 0.00 0.00 175.52 174.94 3i9f s LYS 55 N -5.05 0.75 -0.15 4.72 1.02 -1.23 -4.98 119.74 114.82 3i9f s LYS 55 Ca -0.12 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.27 3i9f s LYS 55 Cb 0.12 -0.70 0.02 0.00 -0.52 0.00 0.00 37.83 36.75 3i9f s LYS 55 CO 0.83 0.18 -0.14 -1.17 -0.92 0.00 0.00 175.35 174.13 3i9f s LEU 56 N -0.90 1.73 -0.15 3.17 2.96 -1.26 -1.48 118.68 122.75 3i9f s LEU 56 Ca -0.00 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 3i9f s LEU 56 Cb -0.07 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 3i9f s LEU 56 CO 0.01 -0.07 0.05 -0.31 -1.32 0.00 0.00 176.35 174.71 3i9f s TYR 57 N 1.48 3.27 -0.22 5.38 2.02 -0.75 -0.52 117.35 128.02 3i9f s TYR 57 Ca 0.04 0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.87 3i9f s TYR 57 Cb -0.13 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 3i9f s TYR 57 CO -0.10 0.31 -0.07 0.00 -1.57 0.00 0.00 175.55 174.11 3i9f s ILE 59 N 1.43 4.07 -0.25 0.00 1.01 -0.28 -0.67 121.20 126.50 3i9f s ILE 59 Ca 0.05 -0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.20 3i9f s ILE 59 Cb -0.14 -2.81 0.07 0.00 0.01 0.00 0.00 42.46 39.58 3i9f s ILE 59 CO -0.05 0.47 0.65 -0.62 0.00 0.00 0.00 174.94 175.39 3i9f s ASP 60 N 0.56 -0.73 0.39 3.58 3.68 -0.89 -0.33 116.67 122.94 3i9f s ASP 60 Ca -0.01 1.34 0.09 0.00 2.13 0.00 0.00 52.55 56.10 3i9f s ASP 60 Cb -0.14 1.32 0.81 0.00 -1.45 0.00 0.00 42.92 43.46 3i9f s ASP 60 CO 0.02 -0.23 1.95 -0.29 0.13 0.00 0.00 175.17 176.75 3i9f h ILE 61 N 4.37 1.16 -2.58 4.11 2.10 -1.86 -3.39 117.51 121.42 3i9f h ILE 61 Ca -0.29 -0.65 -0.55 0.00 1.08 0.00 0.00 64.86 64.45 3i9f h ILE 61 Cb 1.18 1.08 -0.04 0.00 -1.09 0.00 0.00 36.82 37.96 3i9f h ILE 61 CO 0.12 0.21 1.25 0.21 -1.08 0.00 0.00 178.15 178.86 3i9f s ASN 62 N -6.86 5.80 0.26 2.19 3.84 -1.26 -4.90 114.94 114.01 3i9f s ASN 62 Ca -0.06 0.87 -0.04 0.00 0.21 0.00 0.00 52.86 53.84 3i9f s ASN 62 Cb 0.16 -2.53 0.32 0.00 -0.55 0.00 0.00 41.25 38.65 3i9f s ASN 62 CO 0.73 -1.86 1.86 0.58 -2.79 0.00 0.00 177.10 175.62 3i9f h VAL 63 N 6.74 1.24 -0.15 -5.21 2.07 -2.01 -2.72 116.25 116.22 3i9f h VAL 63 Ca -0.30 -0.67 -0.19 0.00 0.82 0.00 0.00 66.70 66.36 3i9f h VAL 63 Cb 1.15 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3i9f h VAL 63 CO 1.11 0.28 -0.69 0.40 0.02 0.00 0.00 177.57 178.69 3i9f h ILE 64 N 1.06 1.32 -0.90 4.57 2.04 -1.97 -2.71 117.51 120.92 3i9f h ILE 64 Ca 0.26 -1.97 0.09 0.00 1.00 0.00 0.00 64.86 64.24 3i9f h ILE 64 Cb 0.11 1.95 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 3i9f h ILE 64 CO -0.03 0.61 0.55 0.00 0.00 0.00 0.00 178.15 179.28 3i9f h ALA 65 N 0.81 1.30 -0.37 1.87 0.00 -1.80 -1.16 119.26 119.90 3i9f h ALA 65 Ca -0.02 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3i9f h ALA 65 Cb 1.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3i9f h ALA 65 CO 0.13 0.20 -0.11 -0.07 0.00 0.00 0.00 179.25 179.40 3i9f h LEU 66 N 0.92 0.64 -0.21 0.00 3.38 -1.38 -2.53 115.31 116.13 3i9f h LEU 66 Ca 0.43 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.24 3i9f h LEU 66 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3i9f h LEU 66 CO -0.24 0.79 0.08 0.50 0.09 0.00 0.00 178.44 179.66 3i9f h LYS 67 N 0.60 0.18 -0.67 1.13 1.63 -0.90 0.26 116.57 118.80 3i9f h LYS 67 Ca 0.11 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 3i9f h LYS 67 Cb 0.55 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 3i9f h LYS 67 CO 0.03 0.12 0.39 0.93 -3.45 0.00 0.00 179.45 177.47 3i9f h GLU 68 N 0.19 0.90 -0.36 1.90 4.39 -1.27 -0.26 114.58 120.07 3i9f h GLU 68 Ca 0.09 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3i9f h GLU 68 Cb 0.04 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3i9f h GLU 68 CO -0.08 0.64 0.05 0.28 -1.16 0.00 0.00 179.01 178.75 3i9f h VAL 69 N 0.92 1.24 -0.42 3.13 2.07 -0.93 -2.95 116.25 119.30 3i9f h VAL 69 Ca 0.24 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3i9f h VAL 69 Cb -0.02 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3i9f h VAL 69 CO -0.04 0.29 0.27 0.11 0.02 0.00 0.00 177.57 178.21 3i9f h LYS 70 N 0.43 0.55 0.00 1.57 1.57 -0.25 -1.56 116.57 118.88 3i9f h LYS 70 Ca 0.11 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3i9f h LYS 70 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3i9f h LYS 70 CO 0.01 0.37 -0.43 0.93 -0.57 0.00 0.00 179.45 179.76 3i9f h GLU 71 N 0.57 0.00 0.00 3.15 5.08 -0.91 -3.33 114.58 119.14 3i9f h GLU 71 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3i9f h GLU 71 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3i9f h GLU 71 CO -0.03 0.43 -1.62 1.63 -1.00 0.00 0.00 179.01 178.41 3i9f n LYS 72 N -3.55 0.60 -3.34 2.33 5.02 -1.05 -4.88 118.16 113.29 3i9f n LYS 72 Ca -0.00 -0.13 -0.21 0.00 -2.02 0.00 0.00 58.31 55.95 3i9f n LYS 72 Cb 0.54 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 34.11 3i9f n LYS 72 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3i9f s PHE 73 N -3.02 0.12 0.09 2.13 0.08 -0.61 -5.03 117.98 111.74 3i9f s PHE 73 Ca -0.05 -1.32 0.19 0.00 0.12 0.00 0.00 56.93 55.88 3i9f s PHE 73 Cb 0.10 -0.57 0.61 0.00 -0.57 0.00 0.00 43.02 42.59 3i9f s PHE 73 CO 0.64 -0.93 1.70 0.22 -0.10 0.00 0.00 175.22 176.75 3i9f h ASP 74 N 6.56 0.00 0.94 1.36 3.58 -1.83 -2.61 116.42 124.43 3i9f h ASP 74 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3i9f h ASP 74 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 3i9f h ASP 74 CO 0.23 0.37 0.00 0.77 -2.88 0.00 0.00 179.24 177.73 3i9f h SER 75 N 0.00 0.00 -3.55 2.28 4.64 -1.96 -3.45 113.55 111.51 3i9f h SER 75 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 3i9f h SER 75 Cb 0.96 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.10 3i9f h SER 75 CO 0.05 0.00 0.69 -0.69 -0.87 0.00 0.00 176.83 176.01 3i9f s VAL 76 N -3.60 2.83 -0.44 0.95 1.01 -0.98 -4.72 120.40 115.44 3i9f s VAL 76 Ca 0.02 0.73 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 3i9f s VAL 76 Cb 0.09 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 33.03 3i9f s VAL 76 CO 0.51 0.13 0.47 -0.63 0.00 0.00 0.00 175.10 175.58 3i9f s ILE 77 N -0.36 5.06 -0.09 2.22 1.01 0.32 -4.96 121.20 124.40 3i9f s ILE 77 Ca 0.55 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.61 3i9f s ILE 77 Cb -0.40 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 3i9f s ILE 77 CO 0.45 -0.49 0.56 0.42 0.00 0.00 0.00 174.94 175.88 3i9f s THR 78 N 2.20 5.12 0.02 2.92 -4.23 -1.26 -0.89 115.64 119.52 3i9f s THR 78 Ca 0.13 1.14 0.03 0.00 -1.18 0.00 0.00 61.69 61.80 3i9f s THR 78 Cb -0.18 -3.90 -0.01 0.00 1.34 0.00 0.00 72.50 69.75 3i9f s THR 78 CO 0.13 0.31 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.68 3i9f s LEU 79 N 0.60 2.11 0.18 4.79 1.43 0.15 -4.95 118.68 123.00 3i9f s LEU 79 Ca 0.30 -0.31 0.23 0.00 -1.03 0.00 0.00 54.13 53.32 3i9f s LEU 79 Cb -0.16 -0.35 0.90 0.00 0.03 0.00 0.00 46.19 46.60 3i9f s LEU 79 CO 0.13 -0.01 1.69 -1.54 0.23 0.00 0.00 176.35 176.86 3i9f n SER 80 N 2.30 0.51 -3.58 2.29 3.41 -1.26 -2.08 113.62 115.20 3i9f n SER 80 Ca -0.17 0.61 -0.06 0.00 -0.26 0.00 0.00 58.87 58.99 3i9f n SER 80 Cb 0.56 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 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 -3.95 -0.19 0.00 4.04 2.15 -1.26 -4.07 116.67 113.38 3i9f s ASP 81 Ca 0.07 0.06 0.17 0.00 0.43 0.00 0.00 52.55 53.28 3i9f s ASP 81 Cb 0.10 0.19 0.77 0.00 -0.30 0.00 0.00 42.92 43.69 3i9f s ASP 81 CO 0.41 -0.29 1.53 -0.81 -0.17 0.00 0.00 175.17 175.84 3i9f n PRO 82 N 0.08 1.38 -0.25 4.34 -0.04 -1.26 -4.41 135.00 134.84 3i9f n PRO 82 Ca -0.03 -0.57 0.05 0.00 -0.04 0.00 0.00 63.50 62.91 3i9f n PRO 82 Cb 0.59 -1.30 0.15 0.00 -0.04 0.00 0.00 33.50 32.90 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 1.11 0.11 -0.00 0.54 3.64 -1.99 -2.10 116.57 117.88 3i9f h LYS 83 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3i9f h LYS 83 Cb 0.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3i9f h LYS 83 CO 0.00 0.07 -0.04 0.39 -2.27 0.00 0.00 179.45 177.61 3i9f n GLU 84 N -5.32 1.01 -2.57 1.90 -0.58 -1.26 -4.73 120.64 109.08 3i9f n GLU 84 Ca 0.13 -0.29 -0.42 0.00 -0.42 0.00 0.00 57.16 56.16 3i9f n GLU 84 Cb 0.46 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.81 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 -2.19 4.49 0.71 -3.67 1.01 -0.79 -5.00 121.20 115.76 3i9f s ILE 85 Ca 0.38 1.79 -0.14 0.00 0.00 0.00 0.00 60.65 62.68 3i9f s ILE 85 Cb 0.21 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.56 3i9f s ILE 85 CO 0.40 0.08 1.14 -2.16 0.00 0.00 0.00 174.94 174.40 3i9f s PRO 86 N 1.52 2.42 0.40 2.79 0.04 -1.26 -4.91 135.00 136.00 3i9f s PRO 86 Ca 0.54 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 3i9f s PRO 86 Cb -0.23 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 3i9f s PRO 86 CO 0.25 -1.57 1.38 -0.25 0.04 0.00 0.00 177.00 176.85 3i9f n ASP 87 N -2.75 3.18 -3.83 6.66 8.00 -1.26 -3.56 116.55 123.00 3i9f n ASP 87 Ca 0.11 1.17 -0.25 0.00 0.71 0.00 0.00 54.79 56.52 3i9f n ASP 87 Cb 0.52 -1.56 0.02 0.00 -0.02 0.00 0.00 41.12 40.07 3i9f n ASP 87 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i9f n ASN 88 N 0.28 -2.44 0.00 -2.24 4.05 0.20 -4.85 115.26 110.26 3i9f n ASN 88 Ca 0.04 -0.83 0.00 0.00 0.45 0.00 0.00 54.58 54.24 3i9f n ASN 88 Cb 0.39 -3.83 0.00 0.00 1.23 0.00 0.00 39.78 37.57 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 -2.96 1.02 -4.23 1.20 3.41 0.00 -4.66 113.62 107.40 3i9f n SER 89 Ca -0.17 -1.21 -0.29 0.00 -0.26 0.00 0.00 58.87 56.95 3i9f n SER 89 Cb 0.62 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.21 1.81 -0.24 -3.33 1.01 -0.59 -4.77 120.40 114.08 3i9f s VAL 90 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 3i9f s VAL 90 Cb 0.00 -1.52 -0.16 0.00 0.00 0.00 0.00 36.38 34.70 3i9f s VAL 90 CO 0.00 0.51 -0.02 0.47 0.00 0.00 0.00 175.10 176.06 3i9f n ASP 91 N 2.83 1.90 -4.15 3.32 8.00 0.47 -0.80 116.55 128.12 3i9f n ASP 91 Ca -0.17 0.39 -0.24 0.00 0.71 0.00 0.00 54.79 55.48 3i9f n ASP 91 Cb 0.52 -0.90 -0.15 0.00 -0.02 0.00 0.00 41.12 40.57 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 -2.42 1.45 -0.14 1.24 0.08 -0.95 -0.18 117.98 117.05 3i9f s PHE 92 Ca -0.33 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.44 3i9f s PHE 92 Cb 0.10 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 3i9f s PHE 92 CO 0.55 -0.01 -0.13 0.42 -0.10 0.00 0.00 175.22 175.94 3i9f s ILE 93 N -0.43 1.49 -0.16 0.64 1.01 -0.84 -0.10 121.20 122.80 3i9f s ILE 93 Ca 0.06 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 3i9f s ILE 93 Cb -0.06 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 3i9f s ILE 93 CO -0.00 0.44 0.13 -0.22 0.00 0.00 0.00 174.94 175.29 3i9f s LEU 94 N 1.50 4.27 -0.41 2.97 2.96 -0.03 -0.65 118.68 129.28 3i9f s LEU 94 Ca 0.04 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 3i9f s LEU 94 Cb -0.13 -2.08 0.11 0.00 0.50 0.00 0.00 46.19 44.60 3i9f s LEU 94 CO -0.10 0.28 0.14 -0.36 -1.32 0.00 0.00 176.35 174.99 3i9f s PHE 95 N -0.24 3.57 -0.50 5.38 0.08 0.12 -1.13 117.98 125.25 3i9f s PHE 95 Ca 0.11 -2.98 -0.12 0.00 0.12 0.00 0.00 56.93 54.06 3i9f s PHE 95 Cb -0.11 -2.95 0.12 0.00 -0.57 0.00 0.00 43.02 39.51 3i9f s PHE 95 CO 0.01 -0.89 0.41 0.00 -0.10 0.00 0.00 175.22 174.65 3i9f s ALA 96 N 0.55 3.50 -1.36 5.36 0.00 -1.26 -1.22 121.76 127.33 3i9f s ALA 96 Ca 0.13 -2.52 -0.03 0.00 0.00 0.00 0.00 51.96 49.53 3i9f s ALA 96 Cb -0.21 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 19.91 3i9f s ALA 96 CO -0.05 -1.94 0.27 0.09 0.00 0.00 0.00 175.76 174.13 3i9f n ASN 97 N 5.06 -4.75 0.00 0.00 3.02 0.15 -4.85 115.26 113.89 3i9f n ASN 97 Ca -0.11 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3i9f n ASN 97 Cb 0.41 -3.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 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 -2.14 3.29 -0.17 6.41 3.41 -1.26 -4.81 113.62 118.35 3i9f n SER 98 Ca -0.12 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.38 3i9f n SER 98 Cb 0.61 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 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 1.11 -0.21 7.33 3.57 -1.88 -3.24 116.94 123.62 3i9f h PHE 99 Ca 0.00 -0.24 0.04 0.00 3.53 0.00 0.00 57.97 61.30 3i9f h PHE 99 Cb 0.37 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3i9f h PHE 99 CO 0.00 1.05 0.14 1.12 -2.23 0.00 0.00 178.31 178.39 3i9f h HIS 100 N 0.85 0.10 -0.31 0.41 2.07 -1.87 -1.37 115.15 115.02 3i9f h HIS 100 Ca 0.13 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.65 3i9f h HIS 100 Cb 0.69 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.64 3i9f h HIS 100 CO 0.05 0.06 0.00 -0.40 -3.07 0.00 0.00 177.93 174.56 3i9f n ASP 101 N -4.49 3.82 -4.75 3.10 5.75 -1.23 -4.97 116.55 113.78 3i9f n ASP 101 Ca 0.01 -2.78 -0.40 0.00 -0.01 0.00 0.00 54.79 51.61 3i9f n ASP 101 Cb 0.22 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 39.77 3i9f n ASP 101 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3i9f s MET 102 N -2.40 4.79 0.64 0.11 1.75 -0.52 -5.03 119.30 118.63 3i9f s MET 102 Ca 0.39 1.55 -0.17 0.00 -1.25 0.00 0.00 55.69 56.21 3i9f s MET 102 Cb 0.30 -3.28 -0.01 0.00 2.84 0.00 0.00 34.83 34.68 3i9f s MET 102 CO 0.11 0.40 1.20 -0.51 -0.65 0.00 0.00 175.02 175.57 3i9f s ASP 103 N -0.92 4.90 -1.14 1.11 1.11 -1.26 -4.27 116.67 116.20 3i9f s ASP 103 Ca 0.43 2.35 -0.23 0.00 0.18 0.00 0.00 52.55 55.28 3i9f s ASP 103 Cb -0.27 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.13 3i9f s ASP 103 CO 0.33 -1.79 0.77 0.47 1.18 0.00 0.00 175.17 176.14 3i9f n ASP 104 N -1.98 -5.17 -0.20 0.27 8.00 -1.26 -4.73 116.55 111.48 3i9f n ASP 104 Ca 0.13 -1.06 0.03 0.00 0.71 0.00 0.00 54.79 54.61 3i9f n ASP 104 Cb 0.50 -3.07 0.30 0.00 -0.02 0.00 0.00 41.12 38.83 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 -1.97 0.87 -0.62 -1.24 1.57 -1.97 0.23 116.57 113.44 3i9f h LYS 105 Ca -0.67 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.00 3i9f h LYS 105 Cb 1.36 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 3i9f h LYS 105 CO 0.48 0.57 0.15 1.96 -0.57 0.00 0.00 179.45 182.05 3i9f h GLN 106 N 0.89 0.99 -0.60 3.15 4.20 -1.96 -1.41 115.11 120.37 3i9f h GLN 106 Ca 0.29 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3i9f h GLN 106 Cb 0.06 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3i9f h GLN 106 CO -0.08 0.90 0.12 1.25 -0.67 0.00 0.00 178.83 180.35 3i9f h HIS 107 N 0.91 1.00 0.10 2.96 2.76 -1.58 -1.61 115.15 119.70 3i9f h HIS 107 Ca 0.19 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3i9f h HIS 107 Cb 0.36 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.03 3i9f h HIS 107 CO 0.03 0.84 -0.05 0.28 -1.30 0.00 0.00 177.93 177.73 3i9f h VAL 108 N 0.91 0.99 -0.39 5.26 2.07 -0.42 -1.56 116.25 123.10 3i9f h VAL 108 Ca 0.19 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.41 3i9f h VAL 108 Cb 0.36 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 3i9f h VAL 108 CO 0.00 0.09 0.11 0.40 0.02 0.00 0.00 177.57 178.19 3i9f h ILE 109 N -0.30 0.84 -0.86 4.57 1.08 -1.25 0.85 117.51 122.44 3i9f h ILE 109 Ca -0.01 -0.09 0.13 0.00 -0.39 0.00 0.00 64.86 64.50 3i9f h ILE 109 Cb 0.25 0.57 -0.09 0.00 -3.07 0.00 0.00 36.82 34.48 3i9f h ILE 109 CO 0.02 0.05 0.47 -1.28 -0.69 0.00 0.00 178.15 176.72 3i9f h SER 110 N 0.25 0.61 0.05 1.72 0.87 -1.24 -0.62 113.55 115.20 3i9f h SER 110 Ca 0.18 0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.60 3i9f h SER 110 Cb 0.19 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3i9f h SER 110 CO -0.21 0.29 -0.84 -0.33 -0.53 0.00 0.00 176.83 175.21 3i9f h GLU 111 N 0.70 0.63 -0.43 2.24 4.39 -0.66 -2.28 114.58 119.18 3i9f h GLU 111 Ca 0.45 -0.56 0.08 0.00 0.34 0.00 0.00 59.36 59.67 3i9f h GLU 111 Cb 0.57 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 29.29 3i9f h GLU 111 CO -0.32 1.18 0.04 0.28 -1.16 0.00 0.00 179.01 179.02 3i9f h VAL 112 N 0.41 0.71 -0.06 3.13 2.07 -0.61 -1.46 116.25 120.43 3i9f h VAL 112 Ca -0.07 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 3i9f h VAL 112 Cb 1.46 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3i9f h VAL 112 CO 0.16 0.03 -0.31 0.11 0.02 0.00 0.00 177.57 177.58 3i9f h LYS 113 N 0.16 0.12 0.07 1.57 1.57 -0.98 -2.26 116.57 116.83 3i9f h LYS 113 Ca 0.21 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.68 3i9f h LYS 113 Cb 0.30 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.62 3i9f h LYS 113 CO -0.32 0.43 -1.15 -0.09 -0.57 0.00 0.00 179.45 177.75 3i9f h ARG 114 N 0.11 0.55 0.00 3.15 2.43 -0.93 -3.35 114.38 116.34 3i9f h ARG 114 Ca 0.01 -0.69 -0.25 0.00 -0.81 0.00 0.00 59.98 58.24 3i9f h ARG 114 Cb 0.61 0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 3i9f h ARG 114 CO 0.04 1.29 -1.45 -0.84 -1.51 0.00 0.00 179.97 177.50 3i9f h ILE 115 N 0.27 0.98 -3.88 1.20 3.07 -1.21 0.60 117.51 118.54 3i9f h ILE 115 Ca -0.15 -2.73 -0.52 0.00 1.55 0.00 0.00 64.86 63.01 3i9f h ILE 115 Cb 1.81 2.45 0.05 0.00 -0.27 0.00 0.00 36.82 40.87 3i9f h ILE 115 CO 0.21 0.56 0.57 -0.22 -1.05 0.00 0.00 178.15 178.22 3i9f s LEU 116 N -6.20 4.38 0.96 0.16 2.96 -0.86 -0.82 118.68 119.27 3i9f s LEU 116 Ca -0.03 2.51 -0.12 0.00 -0.22 0.00 0.00 54.13 56.28 3i9f s LEU 116 Cb 0.08 -3.75 0.16 0.00 0.50 0.00 0.00 46.19 43.19 3i9f s LEU 116 CO 0.82 -0.51 1.09 -0.54 -1.32 0.00 0.00 176.35 175.89 3i9f s LYS 117 N -1.87 0.75 0.43 1.98 1.02 0.02 -4.37 119.74 117.70 3i9f s LYS 117 Ca 0.50 0.68 0.11 0.00 0.02 0.00 0.00 55.97 57.29 3i9f s LYS 117 Cb -0.36 -1.76 0.97 0.00 -0.52 0.00 0.00 37.83 36.16 3i9f s LYS 117 CO 0.47 -2.55 2.01 -0.44 -0.92 0.00 0.00 175.35 173.92 3i9f h ASP 118 N -1.77 0.40 -0.49 2.83 3.32 -1.93 -2.29 116.42 116.49 3i9f h ASP 118 Ca -0.52 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 3i9f h ASP 118 Cb 1.31 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 3i9f h ASP 118 CO 0.56 0.26 0.05 -0.90 -1.72 0.00 0.00 179.24 177.49 3i9f n ASP 119 N -4.47 4.79 -4.87 6.45 5.75 -1.26 -4.70 116.55 118.23 3i9f n ASP 119 Ca 0.07 -3.06 -0.29 0.00 -0.01 0.00 0.00 54.79 51.49 3i9f n ASP 119 Cb 0.25 -0.65 0.08 0.00 -1.03 0.00 0.00 41.12 39.77 3i9f n ASP 119 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3i9f s GLY 120 N -1.32 1.60 -0.00 6.12 0.00 -0.86 -5.03 107.32 107.83 3i9f s GLY 120 Ca 0.50 -0.51 0.05 0.00 0.00 0.00 0.00 44.72 44.76 3i9f s GLY 120 CO 0.12 -0.05 -0.15 0.50 0.00 0.00 0.00 173.10 173.52 3i9f s ARG 121 N -5.44 1.17 -0.17 2.90 3.00 0.74 -4.43 118.95 116.71 3i9f s ARG 121 Ca 0.61 -0.59 -0.06 0.00 0.00 0.00 0.00 55.73 55.69 3i9f s ARG 121 Cb -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 34.95 33.65 3i9f s ARG 121 CO 0.51 0.31 0.03 0.08 0.00 0.00 0.00 175.30 176.22 3i9f s VAL 122 N -0.45 4.47 -0.26 3.52 1.01 -0.46 -1.99 120.40 126.25 3i9f s VAL 122 Ca 0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 3i9f s VAL 122 Cb -0.06 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3i9f s VAL 122 CO -0.00 0.47 0.06 -0.63 0.00 0.00 0.00 175.10 175.00 3i9f s ILE 123 N 0.37 4.11 -0.21 2.22 1.01 0.17 -0.67 121.20 128.21 3i9f s ILE 123 Ca 0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 3i9f s ILE 123 Cb -0.13 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 3i9f s ILE 123 CO 0.01 0.28 0.08 -0.63 0.00 0.00 0.00 174.94 174.68 3i9f s ILE 124 N 1.57 4.76 -0.09 2.92 -1.09 -0.34 -0.71 121.20 128.22 3i9f s ILE 124 Ca 0.05 -0.04 0.04 0.00 -2.23 0.00 0.00 60.65 58.48 3i9f s ILE 124 Cb -0.16 -3.18 -0.00 0.00 -1.58 0.00 0.00 42.46 37.54 3i9f s ILE 124 CO 0.02 0.40 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.27 3i9f s ILE 125 N 0.88 1.96 0.23 2.92 1.01 -0.35 -0.08 121.20 127.76 3i9f s ILE 125 Ca 0.04 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 3i9f s ILE 125 Cb -0.14 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.67 3i9f s ILE 125 CO 0.03 0.54 0.61 -0.62 0.00 0.00 0.00 174.94 175.50 3i9f s ASP 126 N 0.29 -0.30 0.40 3.58 -1.08 -0.98 0.30 116.67 118.88 3i9f s ASP 126 Ca -0.16 -0.49 -0.26 0.00 -0.52 0.00 0.00 52.55 51.12 3i9f s ASP 126 Cb -0.17 0.64 -0.09 0.00 -1.46 0.00 0.00 42.92 41.85 3i9f s ASP 126 CO 0.08 -1.17 1.24 0.26 0.52 0.00 0.00 175.17 176.10 3i9f s TRP 127 N -3.88 2.95 0.57 -5.34 0.52 -1.26 -0.84 118.94 111.66 3i9f s TRP 127 Ca 0.10 1.48 -0.18 0.00 0.02 0.00 0.00 56.10 57.52 3i9f s TRP 127 Cb -0.03 -3.54 -0.04 0.00 -1.15 0.00 0.00 33.47 28.71 3i9f s TRP 127 CO 0.01 -1.70 1.13 1.03 0.02 0.00 0.00 176.95 177.44 3i9f s ARG 128 N -2.23 3.19 -1.34 4.98 0.52 0.70 -4.61 118.95 120.15 3i9f s ARG 128 Ca 0.56 1.59 -0.07 0.00 -0.52 0.00 0.00 55.73 57.30 3i9f s ARG 128 Cb -0.35 -1.98 0.11 0.00 0.52 0.00 0.00 34.95 33.25 3i9f s ARG 128 CO 0.44 -0.98 2.30 1.17 0.02 0.00 0.00 175.30 178.25 3i9f n LYS 129 N -1.58 4.26 -4.06 3.54 4.81 -1.26 -4.82 118.16 119.05 3i9f n LYS 129 Ca 0.12 -3.37 -0.10 0.00 -0.87 0.00 0.00 58.31 54.09 3i9f n LYS 129 Cb 0.51 -2.73 -0.07 0.00 0.02 0.00 0.00 35.03 32.77 3i9f n LYS 129 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3i9f s GLU 130 N -0.45 1.46 -0.59 1.64 -1.05 -1.26 -5.02 118.70 113.43 3i9f s GLU 130 Ca 0.52 -1.37 -0.24 0.00 -0.15 0.00 0.00 54.97 53.72 3i9f s GLU 130 Cb 0.16 0.41 0.05 0.00 -0.44 0.00 0.00 34.13 34.31 3i9f s GLU 130 CO -0.07 -0.58 0.96 1.21 0.95 0.00 0.00 175.26 177.74 3i9f s ASN 131 N -3.06 6.28 0.00 0.83 3.84 -1.26 -4.81 114.94 116.76 3i9f s ASN 131 Ca 0.27 -0.53 0.23 0.00 0.21 0.00 0.00 52.86 53.04 3i9f s ASN 131 Cb 0.02 -2.44 0.40 0.00 -0.55 0.00 0.00 41.25 38.67 3i9f s ASN 131 CO 0.10 -1.32 1.38 0.35 -2.79 0.00 0.00 177.10 174.82 3i9f n THR 132 N 6.13 0.46 0.00 -5.21 -2.24 -1.26 -4.98 114.28 107.18 3i9f n THR 132 Ca 0.00 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3i9f n THR 132 Cb 0.47 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 1.46 1.57 3.87 3.38 0.00 -1.26 -4.83 105.19 109.37 3i9f n GLY 133 Ca 0.19 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 4.70 0.00 -0.61 -4.36 -1.26 -4.99 121.20 114.68 3i9f s ILE 134 Ca 0.00 0.85 0.00 0.00 -0.26 0.00 0.00 60.65 61.24 3i9f s ILE 134 Cb 0.00 -3.82 0.00 0.00 1.25 0.00 0.00 42.46 39.89 3i9f s ILE 134 CO 0.00 -0.93 0.00 0.61 0.24 0.00 0.00 174.94 174.86 3i9f n GLY 135 N -2.25 -2.02 3.77 6.27 0.00 -1.26 -5.04 105.19 104.66 3i9f n GLY 135 Ca 0.05 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.44 1.43 0.46 1.61 0.04 -1.26 -4.95 135.00 131.89 3i9f s PRO 136 Ca 0.00 0.53 -0.24 0.00 0.04 0.00 0.00 61.00 61.33 3i9f s PRO 136 Cb 0.00 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 3i9f s PRO 136 CO 0.00 -2.05 1.23 -2.30 0.04 0.00 0.00 177.00 173.93 3i9f n PRO 137 N -3.70 1.73 0.05 0.56 -0.02 -1.26 -4.85 135.00 127.51 3i9f n PRO 137 Ca 0.07 0.62 0.08 0.00 -2.02 0.00 0.00 63.50 62.25 3i9f n PRO 137 Cb 0.57 -2.37 0.51 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.76 0.30 -1.65 2.45 5.85 -1.92 -2.69 115.31 119.40 3i9f h LEU 138 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3i9f h LEU 138 Cb 1.31 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3i9f h LEU 138 CO 0.58 0.20 0.24 0.28 -0.34 0.00 0.00 178.44 179.40 3i9f h SER 139 N 0.34 0.40 0.04 1.25 0.02 -2.00 -2.60 113.55 111.01 3i9f h SER 139 Ca 0.14 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3i9f h SER 139 Cb 0.14 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3i9f h SER 139 CO -0.03 0.29 -0.02 0.00 -1.14 0.00 0.00 176.83 175.93 3i9f n ILE 140 N -4.48 0.00 -3.25 3.27 0.13 -1.01 -4.93 119.36 109.09 3i9f n ILE 140 Ca 0.02 -0.14 -0.31 0.00 -1.10 0.00 0.00 62.75 61.22 3i9f n ILE 140 Cb 0.07 0.09 -0.05 0.00 -0.84 0.00 0.00 39.64 38.91 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 -2.06 3.80 -0.04 9.51 0.52 -0.98 -4.72 118.95 124.97 3i9f s ARG 141 Ca 0.40 0.32 0.03 0.00 -0.52 0.00 0.00 55.73 55.97 3i9f s ARG 141 Cb 0.21 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 33.12 3i9f s ARG 141 CO 0.37 0.20 -0.13 -1.64 0.02 0.00 0.00 175.30 174.12 3i9f s MET 142 N -3.19 1.38 0.66 3.54 -1.94 -1.26 -4.95 119.30 113.55 3i9f s MET 142 Ca 0.49 -0.46 0.03 0.00 -1.71 0.00 0.00 55.69 54.04 3i9f s MET 142 Cb -0.11 -1.24 0.11 0.00 2.01 0.00 0.00 34.83 35.61 3i9f s MET 142 CO 0.24 0.18 0.91 0.16 -0.01 0.00 0.00 175.02 176.50 3i9f s ASP 143 N 0.12 4.64 0.24 3.03 1.47 -1.26 -4.68 116.67 120.23 3i9f s ASP 143 Ca -0.04 -0.54 -0.15 0.00 1.18 0.00 0.00 52.55 53.00 3i9f s ASP 143 Cb -0.10 0.09 0.29 0.00 -0.34 0.00 0.00 42.92 42.86 3i9f s ASP 143 CO 0.01 -1.66 1.57 -0.08 0.68 0.00 0.00 175.17 175.69 3i9f h GLU 144 N -0.25 -0.03 -0.90 2.11 4.81 -1.99 -0.63 114.58 117.71 3i9f h GLU 144 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3i9f h GLU 144 Cb 1.27 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 3i9f h GLU 144 CO 0.40 -0.02 0.58 -0.22 -0.73 0.00 0.00 179.01 179.02 3i9f h LYS 145 N -0.03 1.20 -0.77 1.92 3.64 -1.99 -0.27 116.57 120.26 3i9f h LYS 145 Ca 0.36 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3i9f h LYS 145 Cb 0.62 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3i9f h LYS 145 CO -0.92 0.81 0.39 -0.44 -2.27 0.00 0.00 179.45 177.02 3i9f h ASP 146 N 1.22 1.00 -0.57 4.20 3.32 -1.58 -2.63 116.42 121.38 3i9f h ASP 146 Ca 0.33 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3i9f h ASP 146 Cb -0.11 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.16 3i9f h ASP 146 CO -0.07 0.84 0.28 1.88 -1.72 0.00 0.00 179.24 180.45 3i9f h TYR 147 N 1.08 0.82 0.00 4.55 -1.99 0.01 -2.85 116.97 118.59 3i9f h TYR 147 Ca 0.27 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.96 3i9f h TYR 147 Cb 0.09 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.57 3i9f h TYR 147 CO 0.01 0.62 0.00 0.52 -0.00 0.00 0.00 178.16 179.31 3i9f h MET 148 N 0.77 0.00 -0.79 4.88 2.86 -0.75 0.17 114.93 122.07 3i9f h MET 148 Ca 0.20 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 3i9f h MET 148 Cb 0.11 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3i9f h MET 148 CO -0.03 0.00 0.41 0.78 1.06 0.00 0.00 176.91 179.14 3i9f h GLY 149 N 3.13 1.19 0.77 8.32 0.00 -1.24 -2.97 103.07 112.27 3i9f h GLY 149 Ca 0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 47.33 46.57 3i9f h GLY 149 CO 0.00 0.53 -0.86 1.49 0.00 0.00 0.00 176.54 177.71 3i9f h TRP 150 N 1.10 0.61 -1.45 5.60 4.06 -1.22 -3.34 115.95 121.30 3i9f h TRP 150 Ca 0.28 -0.43 -0.67 0.00 2.06 0.00 0.00 58.89 60.13 3i9f h TRP 150 Cb 0.06 -0.03 -0.19 0.00 -1.00 0.00 0.00 29.16 28.00 3i9f h TRP 150 CO 0.01 1.32 1.20 1.19 -3.56 0.00 0.00 178.44 178.59 3i9f n PHE 151 N -4.09 2.32 0.91 0.49 3.72 -0.07 -4.72 117.46 116.02 3i9f n PHE 151 Ca -0.14 -2.36 0.12 0.00 -0.05 0.00 0.00 57.45 55.03 3i9f n PHE 151 Cb 0.83 -1.45 0.56 0.00 -0.94 0.00 0.00 39.48 38.48 3i9f n PHE 151 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3i9f n SER 152 N 0.71 0.00 -1.86 4.37 3.41 -1.12 -2.31 113.62 116.82 3i9f n SER 152 Ca 0.53 0.45 -0.04 0.00 -0.26 0.00 0.00 58.87 59.56 3i9f n SER 152 Cb 0.36 -0.48 0.29 0.00 -0.26 0.00 0.00 64.21 64.11 3i9f n SER 152 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i9f n ASN 153 N -1.48 4.65 -4.12 4.04 4.13 -1.26 -4.95 115.26 116.26 3i9f n ASN 153 Ca 0.07 -3.04 -0.11 0.00 1.68 0.00 0.00 54.58 53.18 3i9f n ASN 153 Cb 0.29 -0.71 -0.11 0.00 -1.54 0.00 0.00 39.78 37.71 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 -2.68 0.74 0.10 3.10 0.08 -0.98 -0.83 117.98 117.51 3i9f s PHE 154 Ca 0.49 -0.78 0.08 0.00 0.12 0.00 0.00 56.93 56.84 3i9f s PHE 154 Cb 0.39 -0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 42.36 3i9f s PHE 154 CO 0.12 -0.16 -0.20 0.14 -0.10 0.00 0.00 175.22 175.03 3i9f s VAL 155 N -2.83 1.60 0.09 -0.44 -7.23 -0.04 -4.73 120.40 106.83 3i9f s VAL 155 Ca 0.03 -1.51 -0.31 0.00 -1.81 0.00 0.00 61.98 58.37 3i9f s VAL 155 Cb -0.00 -1.48 -0.07 0.00 0.56 0.00 0.00 36.38 35.39 3i9f s VAL 155 CO -0.04 -0.10 1.35 -0.69 -0.31 0.00 0.00 175.10 175.31 3i9f s VAL 156 N -1.22 3.51 -0.25 1.32 1.01 -1.26 -1.50 120.40 122.01 3i9f s VAL 156 Ca 0.05 1.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 3i9f s VAL 156 Cb -0.10 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 3i9f s VAL 156 CO 0.04 0.07 -0.32 1.21 0.00 0.00 0.00 175.10 176.11 3i9f n GLU 157 N 4.09 0.54 -4.29 2.72 2.13 -0.14 -4.92 120.64 120.77 3i9f n GLU 157 Ca 0.11 0.23 -0.16 0.00 0.66 0.00 0.00 57.16 57.99 3i9f n GLU 157 Cb 0.43 -1.40 -0.10 0.00 0.27 0.00 0.00 31.44 30.65 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 -2.46 1.17 0.12 5.31 1.02 -1.14 -5.00 119.74 118.76 3i9f s LYS 158 Ca -0.35 -1.49 0.08 0.00 0.02 0.00 0.00 55.97 54.23 3i9f s LYS 158 Cb 0.13 -0.86 -0.04 0.00 -0.52 0.00 0.00 37.83 36.54 3i9f s LYS 158 CO 0.45 0.13 -0.19 1.03 -0.92 0.00 0.00 175.35 175.85 3i9f s ARG 159 N -3.59 1.14 0.14 1.68 0.52 -1.26 -1.73 118.95 115.85 3i9f s ARG 159 Ca 0.18 -1.23 -0.21 0.00 -0.52 0.00 0.00 55.73 53.95 3i9f s ARG 159 Cb 0.00 -1.29 0.06 0.00 0.52 0.00 0.00 34.95 34.24 3i9f s ARG 159 CO 0.03 0.28 0.53 -0.59 0.02 0.00 0.00 175.30 175.58 3i9f s PHE 160 N -1.53 -0.42 -0.60 -0.53 -0.12 -0.82 -5.00 117.98 108.96 3i9f s PHE 160 Ca 0.09 0.18 0.03 0.00 -0.05 0.00 0.00 56.93 57.19 3i9f s PHE 160 Cb -0.08 0.45 0.15 0.00 -0.63 0.00 0.00 43.02 42.90 3i9f s PHE 160 CO 0.05 -0.79 0.37 -0.80 -0.05 0.00 0.00 175.22 174.00 3i9f s ASN 161 N -2.73 4.62 0.27 1.98 0.01 -1.26 -1.21 114.94 116.61 3i9f s ASN 161 Ca 0.01 -3.29 0.00 0.00 -0.71 0.00 0.00 52.86 48.87 3i9f s ASN 161 Cb 0.00 -1.67 0.58 0.00 0.41 0.00 0.00 41.25 40.58 3i9f s ASN 161 CO -0.12 -0.19 1.74 -0.65 -1.51 0.00 0.00 177.10 176.37 3i9f h PRO 162 N 6.18 0.53 -4.44 -0.60 0.11 -1.86 -3.44 132.00 128.48 3i9f h PRO 162 Ca 0.00 -0.03 -0.35 0.00 0.11 0.00 0.00 66.00 65.73 3i9f h PRO 162 Cb 0.85 -0.12 -0.10 0.00 0.11 0.00 0.00 31.00 31.74 3i9f h PRO 162 CO 0.71 0.35 -0.32 0.95 -0.21 0.00 0.00 178.00 179.48 3i9f s THR 163 N -5.95 0.00 -1.74 -1.15 -4.23 -1.26 -4.64 115.64 96.67 3i9f s THR 163 Ca -0.12 -1.77 0.30 0.00 -1.18 0.00 0.00 61.69 58.92 3i9f s THR 163 Cb 0.23 -2.58 0.56 0.00 1.34 0.00 0.00 72.50 72.05 3i9f s THR 163 CO 0.78 0.00 1.96 -0.81 -0.54 0.00 0.00 174.62 176.01 3i9f n PRO 164 N -0.58 0.78 -0.01 3.99 -0.04 -1.26 -3.20 135.00 134.68 3i9f n PRO 164 Ca 0.04 -0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.34 3i9f n PRO 164 Cb 0.62 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.63 3i9f n PRO 164 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i9f n TYR 165 N -0.93 0.03 -4.36 0.54 4.01 -1.26 -5.02 117.16 110.17 3i9f n TYR 165 Ca 0.17 -0.04 -0.24 0.00 -0.16 0.00 0.00 57.90 57.63 3i9f n TYR 165 Cb 0.24 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.16 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 -0.81 2.00 0.40 -0.72 3.76 -1.19 -0.22 115.29 118.50 3i9f s HIS 166 Ca 0.12 -0.42 0.08 0.00 -0.15 0.00 0.00 55.06 54.68 3i9f s HIS 166 Cb 0.08 -1.00 -0.07 0.00 1.11 0.00 0.00 32.58 32.70 3i9f s HIS 166 CO 0.12 0.38 0.05 -0.59 -0.85 0.00 0.00 174.74 173.85 3i9f s PHE 167 N -1.81 2.54 -0.13 1.40 -0.12 -0.02 -4.29 117.98 115.55 3i9f s PHE 167 Ca 0.17 -0.60 -0.09 0.00 -0.05 0.00 0.00 56.93 56.35 3i9f s PHE 167 Cb -0.07 -1.76 0.04 0.00 -0.63 0.00 0.00 43.02 40.60 3i9f s PHE 167 CO 0.08 0.39 0.32 0.20 -0.05 0.00 0.00 175.22 176.16 3i9f s GLY 168 N -3.75 -0.23 0.07 1.99 0.00 -0.35 -2.32 107.32 102.73 3i9f s GLY 168 Ca 0.36 1.09 0.05 0.00 0.00 0.00 0.00 44.72 46.23 3i9f s GLY 168 CO 0.19 1.15 -0.15 1.08 0.00 0.00 0.00 173.10 175.37 3i9f s LEU 169 N 0.80 2.28 -0.09 0.66 1.43 0.89 -1.94 118.68 122.71 3i9f s LEU 169 Ca -0.05 -0.62 0.04 0.00 -1.03 0.00 0.00 54.13 52.46 3i9f s LEU 169 Cb -0.06 -0.56 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 3i9f s LEU 169 CO -0.06 -0.06 -0.22 -0.69 0.23 0.00 0.00 176.35 175.56 3i9f s VAL 170 N -1.26 2.32 0.01 -1.59 1.01 -0.71 -1.20 120.40 118.98 3i9f s VAL 170 Ca -0.01 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.08 3i9f s VAL 170 Cb -0.10 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3i9f s VAL 170 CO 0.02 0.56 -0.17 -0.76 0.00 0.00 0.00 175.10 174.75 3i9f s LEU 171 N 0.08 2.08 0.24 3.92 1.02 0.16 -0.96 118.68 125.23 3i9f s LEU 171 Ca -0.10 -0.37 0.07 0.00 0.02 0.00 0.00 54.13 53.75 3i9f s LEU 171 Cb -0.16 -0.83 -0.05 0.00 0.02 0.00 0.00 46.19 45.17 3i9f s LEU 171 CO 0.06 0.16 -0.10 -1.59 0.02 0.00 0.00 176.35 174.90 3i9f s LYS 172 N -0.69 1.42 0.31 1.70 -2.85 -0.56 -1.35 119.74 117.73 3i9f s LYS 172 Ca 0.06 -1.68 -0.29 0.00 -1.00 0.00 0.00 55.97 53.06 3i9f s LYS 172 Cb -0.07 -1.10 -0.10 0.00 -2.06 0.00 0.00 37.83 34.49 3i9f s LYS 172 CO 0.00 0.11 1.37 1.03 0.10 0.00 0.00 175.35 177.96 3i9f s ARG 173 N -3.69 4.30 0.26 1.78 0.52 -1.26 -0.86 118.95 119.99 3i9f s ARG 173 Ca 0.26 2.29 -0.31 0.00 -0.52 0.00 0.00 55.73 57.45 3i9f s ARG 173 Cb 0.02 -3.07 -0.13 0.00 0.52 0.00 0.00 34.95 32.29 3i9f s ARG 173 CO 0.09 -0.30 1.40 1.63 0.02 0.00 0.00 175.30 178.14 3i9f n LYS 174 N 1.19 2.10 -2.00 3.54 5.02 -0.01 -4.71 118.16 123.28 3i9f n LYS 174 Ca 0.02 0.75 -0.42 0.00 -2.02 0.00 0.00 58.31 56.63 3i9f n LYS 174 Cb 0.41 -2.40 -0.03 0.00 -0.02 0.00 0.00 35.03 32.99 3i9f n LYS 174 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3i9f s THR 175 N -0.21 2.93 -0.17 -0.18 -4.23 -1.26 -4.97 115.64 107.55 3i9f s THR 175 Ca 0.66 0.60 -0.00 0.00 -1.18 0.00 0.00 61.69 61.77 3i9f s THR 175 Cb -0.62 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 69.83 3i9f s THR 175 CO 0.51 0.03 -0.14 -0.44 -0.54 0.00 0.00 174.62 174.05 3i9f s SER 176 N 1.48 3.70 0.22 3.99 0.01 -1.26 -5.01 113.70 116.83 3i9f s SER 176 Ca 0.69 -0.48 -0.06 0.00 1.31 0.00 0.00 55.95 57.41 3i9f s SER 176 Cb -0.41 -1.58 0.19 0.00 0.21 0.00 0.00 66.02 64.43 3i9f s SER 176 CO 0.31 0.06 1.72 1.05 0.41 0.00 0.00 173.24 176.79 3i9f h GLU 177 N 7.52 1.02 0.00 12.44 9.09 -2.06 -3.47 114.58 139.12 3i9f h GLU 177 Ca -0.36 -0.26 0.00 0.00 0.05 0.00 0.00 59.36 58.78 3i9f h GLU 177 Cb 1.18 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 3i9f h GLU 177 CO 0.59 0.94 0.00 0.41 0.05 0.00 0.00 179.01 181.00 3i9f n GLY 178 N -0.63 -0.11 3.72 1.06 0.00 -1.26 -4.99 105.19 102.98 3i9f n GLY 178 Ca 0.04 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 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 2.08 -0.46 1.61 3.76 -1.26 -5.02 115.29 116.00 3i9f s HIS 179 Ca 0.00 1.66 0.03 0.00 -0.15 0.00 0.00 55.06 56.60 3i9f s HIS 179 Cb 0.00 -3.27 0.14 0.00 1.11 0.00 0.00 32.58 30.56 3i9f s HIS 179 CO 0.00 -2.37 0.26 -1.58 -0.85 0.00 0.00 174.74 170.20 3i9f s HIS 180 N -2.56 2.25 -0.55 1.40 2.46 -1.26 -4.96 115.29 112.06 3i9f s HIS 180 Ca 0.67 -2.60 0.24 0.00 0.47 0.00 0.00 55.06 53.84 3i9f s HIS 180 Cb -0.22 -2.07 0.38 0.00 -0.13 0.00 0.00 32.58 30.54 3i9f s HIS 180 CO 0.53 -0.77 1.42 0.45 -2.47 0.00 0.00 174.74 173.90 3i9f h HIS 181 N 6.61 0.00 -0.35 3.88 3.86 -2.04 -3.46 115.15 123.64 3i9f h HIS 181 Ca -0.01 0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 58.49 3i9f h HIS 181 Cb 0.91 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.35 3i9f h HIS 181 CO 0.49 0.00 1.39 1.58 0.86 0.00 0.00 177.93 182.25 3i9f n HIS 182 N -2.42 1.25 -2.23 2.45 -0.00 -1.26 -4.89 115.22 108.12 3i9f n HIS 182 Ca 0.03 0.58 -0.39 0.00 -0.00 0.00 0.00 57.72 57.94 3i9f n HIS 182 Cb 0.47 -2.37 -0.02 0.00 -0.00 0.00 0.00 29.99 28.07 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 6.73 3.09 -0.70 1.57 3.76 -1.26 -5.10 115.29 123.39 3i9f s HIS 183 Ca 1.18 1.51 0.06 0.00 -0.15 0.00 0.00 55.06 57.65 3i9f s HIS 183 Cb -1.27 -3.51 0.04 0.00 1.11 0.00 0.00 32.58 28.96 3i9f s HIS 183 CO 0.59 -1.49 0.68 0.72 -0.85 0.00 0.00 174.74 174.38