#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6a n PRO 5 N 0.00 1.44 -3.92 1.97 -0.02 -1.26 -4.68 135.00 128.53 3i6a n PRO 5 Ca 0.00 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.65 3i6a n PRO 5 Cb 0.00 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.26 3i6a n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i6a s LYS 6 N -2.01 2.89 -0.36 -0.52 2.20 -0.65 -1.52 119.74 119.77 3i6a s LYS 6 Ca 0.62 -0.95 -0.15 0.00 -0.36 0.00 0.00 55.97 55.13 3i6a s LYS 6 Cb -0.56 -3.07 -0.00 0.00 -1.51 0.00 0.00 37.83 32.69 3i6a s LYS 6 CO 0.57 -0.41 0.33 -0.51 -0.36 0.00 0.00 175.35 174.98 3i6a s LEU 7 N 1.36 4.63 -0.41 5.43 1.02 0.49 -1.69 118.68 129.51 3i6a s LEU 7 Ca 0.01 -0.45 -0.19 0.00 0.02 0.00 0.00 54.13 53.51 3i6a s LEU 7 Cb -0.17 -2.27 0.02 0.00 0.02 0.00 0.00 46.19 43.79 3i6a s LEU 7 CO -0.03 -0.37 0.56 -1.00 0.02 0.00 0.00 176.35 175.53 3i6a s HIS 8 N 1.91 3.12 0.35 0.29 3.76 0.12 -1.47 115.29 123.37 3i6a s HIS 8 Ca 0.09 -0.07 -0.17 0.00 -0.15 0.00 0.00 55.06 54.76 3i6a s HIS 8 Cb -0.17 -3.13 0.04 0.00 1.11 0.00 0.00 32.58 30.43 3i6a s HIS 8 CO 0.11 -0.74 0.75 -0.47 -0.85 0.00 0.00 174.74 173.54 3i6a s TYR 9 N 2.54 0.06 0.85 1.40 5.04 -1.20 -2.80 117.35 123.23 3i6a s TYR 9 Ca 0.19 -0.65 -0.11 0.00 -2.44 0.00 0.00 57.07 54.06 3i6a s TYR 9 Cb -0.15 0.75 0.10 0.00 0.35 0.00 0.00 41.96 43.01 3i6a s TYR 9 CO 0.16 -1.44 1.09 -0.06 -1.34 0.00 0.00 175.55 173.96 3i6a s PHE 10 N -2.88 2.51 -1.29 4.97 0.40 -1.26 -0.05 117.98 120.38 3i6a s PHE 10 Ca 0.15 1.27 -0.17 0.00 -0.60 0.00 0.00 56.93 57.57 3i6a s PHE 10 Cb -0.05 -3.13 0.08 0.00 0.51 0.00 0.00 43.02 40.43 3i6a s PHE 10 CO 0.10 -2.12 1.70 1.21 0.70 0.00 0.00 175.22 176.81 3i6a s ASN 11 N -3.55 6.87 0.00 1.36 2.47 -1.26 -4.80 114.94 116.03 3i6a s ASN 11 Ca 0.62 -2.52 0.00 0.00 0.42 0.00 0.00 52.86 51.38 3i6a s ASN 11 Cb -0.17 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 3i6a s ASN 11 CO 0.56 -1.12 0.00 0.61 -3.72 0.00 0.00 177.10 173.43 3i6a n GLY 12 N 5.24 -0.82 0.00 1.21 0.00 -1.26 -5.04 105.19 104.52 3i6a n GLY 12 Ca 0.47 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3i6a n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6a n ARG 13 N -0.24 0.00 0.00 1.61 1.74 -1.26 -4.77 116.66 113.74 3i6a n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i6a n ARG 13 Cb 0.00 -0.87 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 3i6a n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i6a n GLY 14 N -0.11 2.22 0.15 -0.13 0.00 -1.26 -2.04 105.19 104.02 3i6a n GLY 14 Ca 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.99 3i6a n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6a n ARG 15 N 14.00 1.19 0.00 1.61 1.74 -1.26 -3.58 116.66 130.36 3i6a n ARG 15 Ca 0.00 -0.31 0.07 0.00 -0.77 0.00 0.00 57.85 56.84 3i6a n ARG 15 Cb 0.00 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 3i6a n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3i6a n MET 16 N -0.63 1.92 0.07 5.56 1.56 -0.87 -4.60 117.12 120.12 3i6a n MET 16 Ca 0.22 -0.30 -0.07 0.00 -0.27 0.00 0.00 57.70 57.28 3i6a n MET 16 Cb 0.19 -1.23 0.09 0.00 2.15 0.00 0.00 33.22 34.42 3i6a n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 3i6a h GLU 17 N 0.67 0.30 -0.08 2.12 4.57 -1.52 -2.34 114.58 118.31 3i6a h GLU 17 Ca 0.00 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 57.86 3i6a h GLU 17 Cb 0.42 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3i6a h GLU 17 CO 0.00 0.84 -0.40 0.66 -1.18 0.00 0.00 179.01 178.93 3i6a h SER 18 N 0.22 0.17 -0.33 1.04 4.64 -1.83 -1.81 113.55 115.65 3i6a h SER 18 Ca -0.01 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3i6a h SER 18 Cb 1.17 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3i6a h SER 18 CO 0.10 0.57 0.03 0.74 -0.87 0.00 0.00 176.83 177.40 3i6a h THR 19 N 0.14 1.25 -0.05 2.95 2.02 -1.74 -1.81 112.91 115.66 3i6a h THR 19 Ca 0.01 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.34 3i6a h THR 19 Cb 0.78 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 3i6a h THR 19 CO 0.06 0.29 -0.13 0.03 0.37 0.00 0.00 175.52 176.14 3i6a h ARG 20 N 0.38 -0.19 -1.00 6.66 3.08 -1.06 -1.05 114.38 121.21 3i6a h ARG 20 Ca 0.10 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.28 3i6a h ARG 20 Cb 0.39 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.40 3i6a h ARG 20 CO 0.01 -0.13 0.63 -1.49 -1.07 0.00 0.00 179.97 177.92 3i6a h TRP 21 N -0.20 1.12 0.00 3.04 4.06 -1.20 0.37 115.95 123.15 3i6a h TRP 21 Ca 0.06 0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.92 3i6a h TRP 21 Cb 0.28 -0.36 0.01 0.00 -1.00 0.00 0.00 29.16 28.10 3i6a h TRP 21 CO -0.22 0.44 -0.50 1.25 -3.56 0.00 0.00 178.44 175.86 3i6a h LEU 22 N 0.98 0.44 -0.49 -4.49 5.85 -0.80 0.24 115.31 117.04 3i6a h LEU 22 Ca 0.49 -0.77 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 3i6a h LEU 22 Cb 0.50 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3i6a h LEU 22 CO -0.26 1.15 0.09 -0.07 -0.34 0.00 0.00 178.44 179.01 3i6a h LEU 23 N -0.22 0.76 -0.46 2.25 3.38 -0.99 -0.41 115.31 119.61 3i6a h LEU 23 Ca -0.06 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.69 3i6a h LEU 23 Cb 1.23 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 3i6a h LEU 23 CO 0.10 0.82 0.24 0.00 0.09 0.00 0.00 178.44 179.69 3i6a h ALA 24 N 0.97 0.58 -0.91 1.53 0.00 -0.93 0.10 119.26 120.60 3i6a h ALA 24 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3i6a h ALA 24 Cb 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3i6a h ALA 24 CO 0.01 -0.11 0.54 0.00 0.00 0.00 0.00 179.25 179.68 3i6a h ALA 25 N 1.24 1.17 0.00 0.00 0.00 -0.64 -1.94 119.26 119.09 3i6a h ALA 25 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i6a h ALA 25 Cb 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3i6a h ALA 25 CO -0.13 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3i6a n ALA 26 N -2.39 2.19 -1.06 0.00 0.00 -0.19 -4.78 120.51 114.27 3i6a n ALA 26 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3i6a n ALA 26 Cb 0.07 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 3i6a n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6a n GLY 27 N 0.19 0.55 3.62 0.00 0.00 -0.73 -5.02 105.19 103.80 3i6a n GLY 27 Ca 0.14 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 3i6a n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6a s VAL 28 N -2.08 5.27 0.30 1.61 1.01 0.30 -5.01 120.40 121.80 3i6a s VAL 28 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 3i6a s VAL 28 Cb 0.00 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 3i6a s VAL 28 CO 0.00 0.24 1.13 -1.61 0.00 0.00 0.00 175.10 174.87 3i6a s GLU 29 N 1.66 4.55 0.15 2.72 2.02 -1.26 -4.13 118.70 124.41 3i6a s GLU 29 Ca 0.11 1.86 -0.02 0.00 0.02 0.00 0.00 54.97 56.94 3i6a s GLU 29 Cb -0.15 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 3i6a s GLU 29 CO 0.09 0.11 0.10 -0.59 0.02 0.00 0.00 175.26 175.00 3i6a s PHE 30 N -1.19 0.89 0.14 1.61 -0.12 -1.26 -4.21 117.98 113.83 3i6a s PHE 30 Ca 0.46 -1.22 0.10 0.00 -0.05 0.00 0.00 56.93 56.22 3i6a s PHE 30 Cb -0.33 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.57 3i6a s PHE 30 CO 0.42 -0.58 -0.21 -1.21 -0.05 0.00 0.00 175.22 173.60 3i6a s GLU 31 N -4.07 1.67 -0.07 1.99 2.02 -0.57 -5.00 118.70 114.66 3i6a s GLU 31 Ca 0.27 -1.28 0.04 0.00 0.02 0.00 0.00 54.97 54.02 3i6a s GLU 31 Cb 0.07 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.26 3i6a s GLU 31 CO 0.04 0.46 -0.21 -1.21 0.02 0.00 0.00 175.26 174.37 3i6a s GLU 32 N -2.26 2.76 -0.36 1.61 2.02 -1.26 -0.38 118.70 120.84 3i6a s GLU 32 Ca 0.18 -0.82 -0.06 0.00 0.02 0.00 0.00 54.97 54.29 3i6a s GLU 32 Cb -0.10 -2.31 0.05 0.00 0.10 0.00 0.00 34.13 31.88 3i6a s GLU 32 CO 0.09 0.37 0.13 0.21 0.02 0.00 0.00 175.26 176.09 3i6a s LYS 33 N -0.12 2.54 0.14 1.61 2.20 -0.54 -4.91 119.74 120.66 3i6a s LYS 33 Ca -0.04 -1.30 -0.30 0.00 -0.36 0.00 0.00 55.97 53.97 3i6a s LYS 33 Cb -0.14 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 3i6a s LYS 33 CO 0.04 -0.75 0.97 -0.06 -0.36 0.00 0.00 175.35 175.19 3i6a s PHE 34 N 1.37 3.82 -0.31 4.03 0.08 -1.26 -3.27 117.98 122.44 3i6a s PHE 34 Ca -0.00 1.80 -0.22 0.00 0.12 0.00 0.00 56.93 58.62 3i6a s PHE 34 Cb -0.20 -3.07 -0.00 0.00 -0.57 0.00 0.00 43.02 39.17 3i6a s PHE 34 CO 0.02 0.16 0.73 0.42 -0.10 0.00 0.00 175.22 176.45 3i6a s ILE 35 N -0.20 4.84 -0.18 0.64 1.01 0.93 -4.92 121.20 123.33 3i6a s ILE 35 Ca 0.46 1.07 0.13 0.00 0.00 0.00 0.00 60.65 62.32 3i6a s ILE 35 Cb -0.24 -4.10 -0.19 0.00 0.01 0.00 0.00 42.46 37.94 3i6a s ILE 35 CO 0.31 -0.21 0.36 0.29 0.00 0.00 0.00 174.94 175.68 3i6a n LYS 36 N 6.09 1.07 -4.16 2.79 4.76 -1.26 -4.33 118.16 123.13 3i6a n LYS 36 Ca 0.02 -0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.23 3i6a n LYS 36 Cb 0.48 -1.25 -0.07 0.00 -1.84 0.00 0.00 35.03 32.35 3i6a n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3i6a s SER 37 N -3.15 0.72 0.40 4.39 1.04 -1.26 -4.90 113.70 110.94 3i6a s SER 37 Ca -0.02 -1.44 0.07 0.00 0.48 0.00 0.00 55.95 55.04 3i6a s SER 37 Cb 0.09 0.54 0.82 0.00 0.10 0.00 0.00 66.02 67.57 3i6a s SER 37 CO 0.54 -1.08 2.04 0.00 0.98 0.00 0.00 173.24 175.72 3i6a h ALA 38 N 2.29 1.66 -0.39 5.32 0.00 -1.81 -2.47 119.26 123.86 3i6a h ALA 38 Ca -0.29 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3i6a h ALA 38 Cb 1.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3i6a h ALA 38 CO 0.42 0.30 -0.35 0.93 0.00 0.00 0.00 179.25 180.54 3i6a h GLU 39 N 0.56 0.93 -0.35 0.00 3.07 -1.95 0.43 114.58 117.27 3i6a h GLU 39 Ca 0.15 -0.48 0.04 0.00 -0.50 0.00 0.00 59.36 58.58 3i6a h GLU 39 Cb -0.02 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.86 3i6a h GLU 39 CO -0.03 1.13 0.11 -0.44 -1.40 0.00 0.00 179.01 178.38 3i6a h ASP 40 N 0.75 0.10 -0.40 1.42 3.32 -1.92 -1.53 116.42 118.16 3i6a h ASP 40 Ca 0.07 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3i6a h ASP 40 Cb 0.94 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3i6a h ASP 40 CO 0.09 0.09 0.08 0.25 -1.72 0.00 0.00 179.24 178.03 3i6a h LEU 41 N 0.25 0.62 -0.94 1.55 5.85 -0.96 -2.26 115.31 119.42 3i6a h LEU 41 Ca 0.16 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 3i6a h LEU 41 Cb 0.15 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3i6a h LEU 41 CO -0.18 0.71 -0.29 0.44 -0.34 0.00 0.00 178.44 178.77 3i6a h ASP 42 N 0.50 0.43 -0.22 1.25 3.32 -0.84 -1.72 116.42 119.14 3i6a h ASP 42 Ca 0.12 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3i6a h ASP 42 Cb 0.34 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3i6a h ASP 42 CO 0.00 0.71 0.10 0.50 -1.72 0.00 0.00 179.24 178.84 3i6a h LYS 43 N 0.37 0.32 -0.25 3.56 1.63 -1.11 0.35 116.57 121.44 3i6a h LYS 43 Ca 0.05 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 3i6a h LYS 43 Cb 0.71 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.24 3i6a h LYS 43 CO 0.05 0.34 0.02 -0.07 -3.45 0.00 0.00 179.45 176.34 3i6a h LEU 44 N 0.22 -0.05 0.18 5.20 3.38 -1.13 0.06 115.31 123.17 3i6a h LEU 44 Ca 0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3i6a h LEU 44 Cb 0.13 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3i6a h LEU 44 CO -0.01 0.00 -0.17 0.03 0.09 0.00 0.00 178.44 178.39 3i6a h ARG 45 N 0.10 -0.37 -0.79 1.13 3.08 -1.27 -2.88 114.38 113.39 3i6a h ARG 45 Ca 0.12 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.27 3i6a h ARG 45 Cb 0.14 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 3i6a h ARG 45 CO -0.18 -0.24 0.51 -0.91 -1.07 0.00 0.00 179.97 178.08 3i6a h ASN 46 N -0.38 0.70 0.29 7.04 4.21 -0.70 -0.45 115.58 126.29 3i6a h ASN 46 Ca -0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 3i6a h ASN 46 Cb 0.35 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 3i6a h ASN 46 CO -0.03 0.44 0.00 0.47 -1.29 0.00 0.00 177.43 177.01 3i6a n ASP 47 N -4.49 0.00 0.00 5.81 8.00 -0.01 -4.83 116.55 121.03 3i6a n ASP 47 Ca 0.12 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.67 3i6a n ASP 47 Cb 0.27 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3i6a n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6a n GLY 48 N 0.05 0.52 0.20 0.44 0.00 -0.18 -4.94 105.19 101.29 3i6a n GLY 48 Ca 0.08 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.55 3i6a n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i6a n TYR 49 N -2.81 0.00 -4.00 1.61 4.01 -1.22 -4.78 117.16 109.97 3i6a n TYR 49 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 3i6a n TYR 49 Cb 0.00 -0.12 -0.14 0.00 -0.31 0.00 0.00 39.34 38.76 3i6a n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i6a s LEU 50 N -2.66 4.10 0.19 7.72 1.43 -1.26 -4.85 118.68 123.34 3i6a s LEU 50 Ca 0.19 -1.68 -0.10 0.00 -1.03 0.00 0.00 54.13 51.51 3i6a s LEU 50 Cb 0.18 -1.63 0.11 0.00 0.03 0.00 0.00 46.19 44.89 3i6a s LEU 50 CO 0.60 -0.29 1.75 -0.03 0.23 0.00 0.00 176.35 178.61 3i6a h MET 51 N 7.78 1.02 -0.45 1.70 1.85 -1.86 -1.25 114.93 123.71 3i6a h MET 51 Ca -0.14 -0.18 -0.06 0.00 -0.61 0.00 0.00 59.70 58.71 3i6a h MET 51 Cb 1.04 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 32.87 3i6a h MET 51 CO 0.51 0.84 0.05 1.19 -0.40 0.00 0.00 176.91 179.11 3i6a n PHE 52 N -4.39 1.58 -1.76 1.39 3.72 -1.26 -4.95 117.46 111.79 3i6a n PHE 52 Ca 0.05 -0.97 -0.16 0.00 -0.05 0.00 0.00 57.45 56.32 3i6a n PHE 52 Cb 0.17 -0.46 -0.05 0.00 -0.94 0.00 0.00 39.48 38.21 3i6a n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i6a n GLN 53 N -0.19 -1.16 -4.25 -1.08 1.13 -0.47 -4.99 117.38 106.37 3i6a n GLN 53 Ca 0.28 0.95 -0.18 0.00 -1.94 0.00 0.00 57.00 56.12 3i6a n GLN 53 Cb 1.09 -5.19 -0.11 0.00 0.11 0.00 0.00 30.24 26.14 3i6a n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3i6a s GLN 54 N -3.86 1.04 0.19 -1.09 -0.21 -1.26 -5.02 119.66 109.45 3i6a s GLN 54 Ca 0.00 -1.28 0.07 0.00 0.02 0.00 0.00 55.36 54.17 3i6a s GLN 54 Cb 0.00 -0.89 -0.04 0.00 1.00 0.00 0.00 33.01 33.08 3i6a s GLN 54 CO 0.00 0.16 0.04 0.14 -2.12 0.00 0.00 175.29 173.52 3i6a s VAL 55 N -2.29 3.90 0.64 1.09 -7.23 -1.26 -4.63 120.40 110.62 3i6a s VAL 55 Ca 0.10 -1.40 -0.17 0.00 -1.81 0.00 0.00 61.98 58.70 3i6a s VAL 55 Cb -0.04 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.90 3i6a s VAL 55 CO 0.03 -0.15 1.18 -2.84 -0.31 0.00 0.00 175.10 173.01 3i6a s PRO 56 N -3.11 2.77 -0.06 4.82 0.02 -1.26 -5.00 135.00 133.17 3i6a s PRO 56 Ca 0.29 1.70 -0.03 0.00 0.02 0.00 0.00 61.00 62.98 3i6a s PRO 56 Cb -0.09 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.54 3i6a s PRO 56 CO 0.20 -1.34 0.13 1.41 -0.33 0.00 0.00 177.00 177.07 3i6a s MET 57 N -3.62 0.09 -0.08 5.54 1.75 -1.12 -3.72 119.30 118.14 3i6a s MET 57 Ca 0.74 0.30 0.04 0.00 -1.25 0.00 0.00 55.69 55.52 3i6a s MET 57 Cb -0.27 -0.12 0.00 0.00 2.84 0.00 0.00 34.83 37.28 3i6a s MET 57 CO 0.37 -0.13 -0.20 0.08 -0.65 0.00 0.00 175.02 174.49 3i6a s VAL 58 N 0.88 1.74 -0.16 10.11 1.01 -0.01 0.11 120.40 134.08 3i6a s VAL 58 Ca -0.07 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 3i6a s VAL 58 Cb -0.09 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3i6a s VAL 58 CO -0.04 0.49 0.61 -1.61 0.00 0.00 0.00 175.10 174.55 3i6a s GLU 59 N 0.30 4.28 -0.29 2.72 2.02 -0.68 0.14 118.70 127.19 3i6a s GLU 59 Ca -0.13 0.63 -0.14 0.00 0.02 0.00 0.00 54.97 55.34 3i6a s GLU 59 Cb -0.16 -3.52 0.10 0.00 0.10 0.00 0.00 34.13 30.65 3i6a s GLU 59 CO 0.06 -0.10 0.73 -1.50 0.02 0.00 0.00 175.26 174.47 3i6a s ILE 60 N 1.42 -0.27 -1.66 -1.63 2.07 -0.32 -1.63 121.20 119.17 3i6a s ILE 60 Ca 0.30 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.41 3i6a s ILE 60 Cb -0.16 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.55 3i6a s ILE 60 CO 0.12 0.00 0.51 0.47 -1.91 0.00 0.00 174.94 174.13 3i6a n ASP 61 N 4.56 -1.50 0.00 4.50 8.00 -1.26 -1.19 116.55 129.66 3i6a n ASP 61 Ca -0.17 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.20 3i6a n ASP 61 Cb 0.56 -2.29 0.00 0.00 -0.02 0.00 0.00 41.12 39.37 3i6a n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6a n GLY 62 N -1.67 0.72 3.66 0.44 0.00 -1.26 -5.03 105.19 102.04 3i6a n GLY 62 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3i6a n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i6a s MET 63 N -0.56 2.37 -0.54 1.61 -1.94 -0.33 -5.07 119.30 114.83 3i6a s MET 63 Ca 0.00 -1.17 -0.01 0.00 -1.71 0.00 0.00 55.69 52.80 3i6a s MET 63 Cb 0.00 -2.31 0.14 0.00 2.01 0.00 0.00 34.83 34.67 3i6a s MET 63 CO 0.00 0.44 0.33 0.15 -0.01 0.00 0.00 175.02 175.93 3i6a s LYS 64 N -3.08 2.27 -0.16 2.03 1.02 -1.26 -1.17 119.74 119.40 3i6a s LYS 64 Ca 0.28 -2.35 -0.18 0.00 0.02 0.00 0.00 55.97 53.73 3i6a s LYS 64 Cb -0.09 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 3i6a s LYS 64 CO 0.19 -1.13 0.50 -0.51 -0.92 0.00 0.00 175.35 173.48 3i6a s LEU 65 N 0.22 4.21 0.44 3.17 1.43 0.12 -4.88 118.68 123.38 3i6a s LEU 65 Ca 0.15 0.74 0.08 0.00 -1.03 0.00 0.00 54.13 54.06 3i6a s LEU 65 Cb -0.22 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 3i6a s LEU 65 CO -0.03 -0.09 0.41 0.68 0.23 0.00 0.00 176.35 177.54 3i6a s VAL 66 N 1.15 2.52 0.00 -1.59 -7.23 -1.26 -0.83 120.40 113.15 3i6a s VAL 66 Ca 0.25 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 3i6a s VAL 66 Cb -0.15 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.93 3i6a s VAL 66 CO 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.89 3i6a n GLN 67 N -1.61 0.00 -0.22 4.82 1.13 -1.24 -4.34 117.38 115.91 3i6a n GLN 67 Ca 0.04 0.49 0.02 0.00 -1.94 0.00 0.00 57.00 55.61 3i6a n GLN 67 Cb 0.62 -0.17 0.11 0.00 0.11 0.00 0.00 30.24 30.92 3i6a n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3i6a h THR 68 N 0.00 0.42 0.00 5.09 2.02 -1.90 -0.63 112.91 117.91 3i6a h THR 68 Ca 0.00 -0.03 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 3i6a h THR 68 Cb 0.00 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 3i6a h THR 68 CO 0.00 0.02 -0.66 0.03 0.37 0.00 0.00 175.52 175.27 3i6a h ARG 69 N 0.09 0.00 -0.20 6.66 3.08 -1.97 -0.89 114.38 121.15 3i6a h ARG 69 Ca 0.35 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.36 3i6a h ARG 69 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3i6a h ARG 69 CO -0.59 0.66 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 3i6a h ALA 70 N 1.34 0.27 0.04 0.04 0.00 -1.50 -1.60 119.26 117.85 3i6a h ALA 70 Ca -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3i6a h ALA 70 Cb 1.20 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3i6a h ALA 70 CO 0.09 -0.01 -0.29 0.82 0.00 0.00 0.00 179.25 179.86 3i6a h ILE 71 N 0.12 0.36 -0.44 0.00 2.04 -1.04 -1.62 117.51 116.94 3i6a h ILE 71 Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 3i6a h ILE 71 Cb 0.39 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3i6a h ILE 71 CO 0.01 0.00 0.23 -0.07 0.00 0.00 0.00 178.15 178.32 3i6a h LEU 72 N -0.46 0.55 -0.82 1.44 3.38 -1.18 -2.28 115.31 115.94 3i6a h LEU 72 Ca 0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3i6a h LEU 72 Cb 0.53 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3i6a h LEU 72 CO -0.22 0.49 0.39 0.78 0.09 0.00 0.00 178.44 179.97 3i6a h ASN 73 N 0.57 1.08 0.42 -0.43 2.35 -1.19 0.14 115.58 118.52 3i6a h ASN 73 Ca 0.15 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3i6a h ASN 73 Cb 0.07 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3i6a h ASN 73 CO -0.02 0.92 -0.20 0.22 -1.65 0.00 0.00 177.43 176.70 3i6a h TYR 74 N 1.17 -0.52 -0.53 1.19 3.20 -1.02 -1.45 116.97 119.01 3i6a h TYR 74 Ca 0.28 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.21 3i6a h TYR 74 Cb 0.13 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.51 3i6a h TYR 74 CO 0.01 -0.27 0.19 0.82 -1.64 0.00 0.00 178.16 177.27 3i6a h ILE 75 N -0.67 0.81 -0.58 1.81 2.04 -1.20 0.25 117.51 119.97 3i6a h ILE 75 Ca -0.06 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3i6a h ILE 75 Cb 0.49 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3i6a h ILE 75 CO 0.09 0.07 0.32 0.00 0.00 0.00 0.00 178.15 178.63 3i6a h ALA 76 N 1.36 0.75 -0.07 1.87 0.00 -0.68 -1.94 119.26 120.54 3i6a h ALA 76 Ca 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3i6a h ALA 76 Cb 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i6a h ALA 76 CO -0.26 0.27 -0.00 1.03 0.00 0.00 0.00 179.25 180.29 3i6a h SER 77 N 0.79 0.13 -0.90 0.00 0.87 -0.62 0.54 113.55 114.35 3i6a h SER 77 Ca 0.20 -0.32 0.10 0.00 -1.23 0.00 0.00 61.79 60.54 3i6a h SER 77 Cb 0.05 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 3i6a h SER 77 CO -0.03 0.42 0.58 0.50 -0.53 0.00 0.00 176.83 177.77 3i6a h LYS 78 N -0.16 0.88 -0.47 2.24 3.64 -0.35 -2.35 116.57 119.99 3i6a h LYS 78 Ca 0.02 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 3i6a h LYS 78 Cb 0.35 -0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 31.87 3i6a h LYS 78 CO 0.00 0.58 0.09 0.66 -2.27 0.00 0.00 179.45 178.52 3i6a n TYR 79 N -4.53 1.51 -3.78 1.91 4.01 -0.75 -4.95 117.16 110.58 3i6a n TYR 79 Ca 0.16 -1.36 -0.27 0.00 -0.16 0.00 0.00 57.90 56.26 3i6a n TYR 79 Cb 0.31 -0.53 0.05 0.00 -0.31 0.00 0.00 39.34 38.86 3i6a n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i6a n ASN 80 N -0.80 -5.05 -1.27 7.72 3.02 -0.89 -4.90 115.26 113.10 3i6a n ASN 80 Ca 0.34 -0.69 -0.07 0.00 -0.03 0.00 0.00 54.58 54.13 3i6a n ASN 80 Cb 1.13 -4.34 0.19 0.00 -0.61 0.00 0.00 39.78 36.15 3i6a n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i6a n LEU 81 N -4.76 4.34 -0.57 3.41 4.77 0.19 -4.53 117.00 119.85 3i6a n LEU 81 Ca -0.00 -3.84 0.06 0.00 -0.03 0.00 0.00 56.01 52.21 3i6a n LEU 81 Cb 0.55 -0.64 0.15 0.00 -2.33 0.00 0.00 43.42 41.15 3i6a n LEU 81 CO 0.71 1.30 0.37 0.00 -1.33 0.00 0.00 177.39 178.44 3i6a n TYR 82 N -1.11 0.00 -0.10 -1.77 4.19 -1.20 -0.97 117.16 116.20 3i6a n TYR 82 Ca 0.36 -1.13 0.01 0.00 3.31 0.00 0.00 57.90 60.45 3i6a n TYR 82 Cb 1.06 -0.20 -0.00 0.00 0.49 0.00 0.00 39.34 40.69 3i6a n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3i6a n GLY 83 N -0.92 -1.41 0.00 2.98 0.00 -1.26 -4.39 105.19 100.19 3i6a n GLY 83 Ca 0.15 -1.51 0.08 0.00 0.00 0.00 0.00 46.02 44.74 3i6a n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i6a n LYS 84 N -1.42 1.13 -2.63 1.61 2.85 -1.26 -4.98 118.16 113.46 3i6a n LYS 84 Ca 0.00 -0.08 -0.06 0.00 -1.05 0.00 0.00 58.31 57.12 3i6a n LYS 84 Cb 0.04 -1.31 -0.01 0.00 -0.65 0.00 0.00 35.03 33.11 3i6a n LYS 84 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3i6a n ASP 85 N -1.74 -0.74 -0.06 -5.58 5.68 -1.26 -5.05 116.55 107.80 3i6a n ASP 85 Ca -0.00 -1.87 -0.06 0.00 -0.50 0.00 0.00 54.79 52.36 3i6a n ASP 85 Cb 0.34 1.33 0.14 0.00 -1.14 0.00 0.00 41.12 41.78 3i6a n ASP 85 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3i6a h ILE 86 N 1.48 1.26 -0.01 2.12 2.10 -1.96 -2.46 117.51 120.03 3i6a h ILE 86 Ca -0.14 -1.26 -0.17 0.00 1.08 0.00 0.00 64.86 64.37 3i6a h ILE 86 Cb 0.57 1.20 -0.02 0.00 -1.09 0.00 0.00 36.82 37.48 3i6a h ILE 86 CO 0.18 0.42 -0.78 0.11 -1.08 0.00 0.00 178.15 177.00 3i6a h LYS 87 N 0.61 0.14 -0.39 2.19 1.57 -2.00 -1.85 116.57 116.84 3i6a h LYS 87 Ca 0.09 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3i6a h LYS 87 Cb 0.67 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3i6a h LYS 87 CO 0.05 0.84 -0.26 0.93 -0.57 0.00 0.00 179.45 180.44 3i6a h GLU 88 N 0.08 0.82 -0.16 3.15 5.08 -1.92 -2.68 114.58 118.94 3i6a h GLU 88 Ca -0.02 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 57.92 3i6a h GLU 88 Cb 1.36 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 3i6a h GLU 88 CO 0.11 0.98 -0.17 0.00 -1.00 0.00 0.00 179.01 178.93 3i6a h ARG 89 N 0.70 0.27 -0.29 2.33 3.08 -1.13 0.14 114.38 119.48 3i6a h ARG 89 Ca 0.09 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3i6a h ARG 89 Cb 0.80 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3i6a h ARG 89 CO 0.07 0.45 0.12 0.00 -1.07 0.00 0.00 179.97 179.54 3i6a h ALA 90 N 1.57 0.38 -0.36 0.04 0.00 -1.14 0.30 119.26 120.06 3i6a h ALA 90 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3i6a h ALA 90 Cb 0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i6a h ALA 90 CO 0.03 -0.03 0.13 -0.07 0.00 0.00 0.00 179.25 179.31 3i6a h LEU 91 N 0.33 0.51 0.07 0.00 3.38 -1.14 -0.01 115.31 118.45 3i6a h LEU 91 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3i6a h LEU 91 Cb 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3i6a h LEU 91 CO -0.01 0.55 -0.03 0.40 0.09 0.00 0.00 178.44 179.44 3i6a h ILE 92 N 0.44 0.95 -0.42 1.22 2.04 -0.82 -1.12 117.51 119.80 3i6a h ILE 92 Ca 0.12 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3i6a h ILE 92 Cb 0.21 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3i6a h ILE 92 CO -0.01 0.02 0.24 0.44 0.00 0.00 0.00 178.15 178.85 3i6a h ASP 93 N -0.13 0.39 -0.17 1.72 3.32 -0.28 -0.38 116.42 120.90 3i6a h ASP 93 Ca -0.01 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3i6a h ASP 93 Cb 0.10 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3i6a h ASP 93 CO 0.02 0.28 0.02 -0.03 -1.72 0.00 0.00 179.24 177.81 3i6a h MET 94 N 0.49 0.09 -0.17 3.56 4.05 -0.79 -0.51 114.93 121.65 3i6a h MET 94 Ca 0.17 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 3i6a h MET 94 Cb 0.01 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 3i6a h MET 94 CO -0.08 0.06 0.05 1.88 0.23 0.00 0.00 176.91 179.05 3i6a h TYR 95 N 0.09 0.27 0.00 1.39 0.05 -0.86 -2.79 116.97 115.12 3i6a h TYR 95 Ca 0.08 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 3i6a h TYR 95 Cb 0.08 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3i6a h TYR 95 CO -0.14 0.37 -0.40 -0.84 -1.05 0.00 0.00 178.16 176.10 3i6a h ILE 96 N 0.10 0.96 -0.03 -2.88 3.07 -0.96 -2.22 117.51 115.55 3i6a h ILE 96 Ca 0.05 -1.56 -0.10 0.00 1.55 0.00 0.00 64.86 64.81 3i6a h ILE 96 Cb 0.22 1.93 -0.01 0.00 -0.27 0.00 0.00 36.82 38.69 3i6a h ILE 96 CO -0.00 0.39 -0.46 -0.33 -1.05 0.00 0.00 178.15 176.70 3i6a h GLU 97 N 0.00 0.07 -0.39 0.16 4.39 -0.93 0.35 114.58 118.23 3i6a h GLU 97 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3i6a h GLU 97 Cb 0.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 3i6a h GLU 97 CO 0.05 0.52 0.25 0.78 -1.16 0.00 0.00 179.01 179.45 3i6a h GLY 98 N 1.37 0.56 0.99 -3.84 0.00 -1.14 -1.27 103.07 99.74 3i6a h GLY 98 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3i6a h GLY 98 CO 0.06 0.22 0.21 -2.22 0.00 0.00 0.00 176.54 174.81 3i6a h ILE 99 N 0.53 1.10 -0.90 2.60 2.04 -1.19 -2.42 117.51 119.28 3i6a h ILE 99 Ca 0.14 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.85 3i6a h ILE 99 Cb -0.03 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 3i6a h ILE 99 CO -0.03 0.10 0.56 0.00 0.00 0.00 0.00 178.15 178.78 3i6a h ALA 100 N 1.10 1.23 -0.09 1.87 0.00 -0.08 0.32 119.26 123.62 3i6a h ALA 100 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i6a h ALA 100 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3i6a h ALA 100 CO -0.02 0.32 0.05 -0.44 0.00 0.00 0.00 179.25 179.15 3i6a h ASP 101 N 1.02 0.08 -0.34 0.00 3.32 -0.83 0.75 116.42 120.42 3i6a h ASP 101 Ca 0.39 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.46 3i6a h ASP 101 Cb 0.17 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3i6a h ASP 101 CO -0.17 0.06 0.19 0.25 -1.72 0.00 0.00 179.24 177.85 3i6a h LEU 102 N 0.10 0.30 -1.30 1.55 5.85 -0.98 -3.08 115.31 117.76 3i6a h LEU 102 Ca 0.03 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3i6a h LEU 102 Cb -0.00 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3i6a h LEU 102 CO -0.02 0.22 0.50 1.23 -0.34 0.00 0.00 178.44 180.03 3i6a h GLY 103 N 0.39 1.05 1.21 3.75 0.00 0.03 -1.48 103.07 108.02 3i6a h GLY 103 Ca 0.13 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.13 3i6a h GLY 103 CO -0.07 0.31 0.47 -2.09 0.00 0.00 0.00 176.54 175.16 3i6a h GLU 104 N 0.91 0.87 -0.05 4.80 4.57 -0.77 0.15 114.58 125.06 3i6a h GLU 104 Ca 0.30 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.25 3i6a h GLU 104 Cb 0.07 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3i6a h GLU 104 CO -0.09 0.57 -0.69 0.52 -1.18 0.00 0.00 179.01 178.15 3i6a h MET 105 N 0.89 0.55 0.19 1.92 2.86 -1.28 -2.82 114.93 117.24 3i6a h MET 105 Ca 0.28 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 3i6a h MET 105 Cb 0.01 0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3i6a h MET 105 CO -0.07 1.16 -0.09 0.82 1.06 0.00 0.00 176.91 179.78 3i6a h ILE 106 N 0.14 0.85 -0.45 -1.22 2.04 -1.32 -2.09 117.51 115.46 3i6a h ILE 106 Ca -0.07 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.67 3i6a h ILE 106 Cb 1.36 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 38.34 3i6a h ILE 106 CO 0.14 0.05 -0.00 0.40 0.00 0.00 0.00 178.15 178.73 3i6a h ILE 107 N -0.36 0.65 0.00 -0.67 2.04 -1.04 -2.43 117.51 115.69 3i6a h ILE 107 Ca -0.03 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3i6a h ILE 107 Cb 0.28 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3i6a h ILE 107 CO 0.04 0.02 0.00 0.24 0.00 0.00 0.00 178.15 178.45 3i6a h MET 108 N 0.11 0.00 -0.53 2.37 2.86 -1.48 -3.36 114.93 114.89 3i6a h MET 108 Ca 0.23 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.97 3i6a h MET 108 Cb 0.33 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.88 3i6a h MET 108 CO -0.38 0.00 -0.28 1.25 1.06 0.00 0.00 176.91 178.56 3i6a h LEU 109 N 0.00 -0.97 -2.21 1.22 5.85 -0.85 -0.90 115.31 117.44 3i6a h LEU 109 Ca 0.00 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.94 3i6a h LEU 109 Cb 0.93 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 3i6a h LEU 109 CO 0.00 -0.28 0.27 -0.65 -0.34 0.00 0.00 178.44 177.43 3i6a h PRO 110 N -0.15 0.00 -0.65 5.25 0.11 -1.73 -1.29 132.00 133.54 3i6a h PRO 110 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3i6a h PRO 110 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3i6a h PRO 110 CO -0.62 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.36 3i6a n PHE 111 N -3.15 0.86 -2.09 0.65 3.01 -0.35 -4.97 117.46 111.42 3i6a n PHE 111 Ca -0.01 -0.43 -0.36 0.00 1.01 0.00 0.00 57.45 57.67 3i6a n PHE 111 Cb 0.34 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.84 3i6a n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i6a s PRO 113 N -3.32 3.21 0.31 0.00 0.02 -1.26 -4.88 135.00 129.07 3i6a s PRO 113 Ca 0.76 2.26 0.08 0.00 0.02 0.00 0.00 61.00 64.11 3i6a s PRO 113 Cb -0.28 -2.31 0.85 0.00 0.02 0.00 0.00 34.50 32.78 3i6a s PRO 113 CO 0.31 -1.15 1.69 -1.35 -0.33 0.00 0.00 177.00 176.17 3i6a h PRO 114 N 1.56 0.39 -0.73 5.54 0.11 -1.98 -1.65 132.00 135.24 3i6a h PRO 114 Ca -0.51 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.61 3i6a h PRO 114 Cb 1.30 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3i6a h PRO 114 CO 0.58 0.26 0.46 1.49 -0.21 0.00 0.00 178.00 180.58 3i6a h GLU 115 N 0.40 0.88 0.00 1.05 4.22 -2.05 -3.09 114.58 115.99 3i6a h GLU 115 Ca 0.62 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 60.01 3i6a h GLU 115 Cb 1.26 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3i6a h GLU 115 CO -0.55 0.58 -0.35 0.39 -2.18 0.00 0.00 179.01 176.90 3i6a n GLU 116 N -4.64 0.27 -0.06 1.92 1.02 -0.63 -4.33 120.64 114.19 3i6a n GLU 116 Ca 0.08 0.14 -0.09 0.00 -0.02 0.00 0.00 57.16 57.27 3i6a n GLU 116 Cb 0.08 -1.73 -0.02 0.00 -0.02 0.00 0.00 31.44 29.75 3i6a n GLU 116 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3i6a h LYS 117 N 0.00 0.24 -0.55 3.49 1.57 -1.43 -1.41 116.57 118.48 3i6a h LYS 117 Ca 0.00 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3i6a h LYS 117 Cb 0.74 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 3i6a h LYS 117 CO 0.00 0.16 0.36 -0.44 -0.57 0.00 0.00 179.45 178.95 3i6a h ASP 118 N 0.25 0.60 -0.41 0.86 3.32 -1.78 -1.39 116.42 117.87 3i6a h ASP 118 Ca 0.10 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 3i6a h ASP 118 Cb 0.04 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3i6a h ASP 118 CO -0.08 0.43 0.04 0.00 -1.72 0.00 0.00 179.24 177.92 3i6a h ALA 119 N 1.22 0.54 -0.45 3.45 0.00 -1.72 -2.26 119.26 120.04 3i6a h ALA 119 Ca 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3i6a h ALA 119 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3i6a h ALA 119 CO -0.06 0.28 0.04 0.87 0.00 0.00 0.00 179.25 180.38 3i6a h LYS 120 N 0.53 0.77 -0.25 0.00 1.57 -1.00 -0.13 116.57 118.07 3i6a h LYS 120 Ca 0.12 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3i6a h LYS 120 Cb 0.41 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 3i6a h LYS 120 CO 0.01 0.81 -0.06 1.25 -0.57 0.00 0.00 179.45 180.89 3i6a h LEU 121 N 0.62 -0.23 -0.87 2.94 5.85 -1.28 0.62 115.31 122.97 3i6a h LEU 121 Ca 0.13 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3i6a h LEU 121 Cb 0.44 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3i6a h LEU 121 CO 0.02 -0.08 0.57 0.00 -0.34 0.00 0.00 178.44 178.61 3i6a h ALA 122 N 1.25 1.10 -0.65 1.25 0.00 -1.20 -0.57 119.26 120.44 3i6a h ALA 122 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3i6a h ALA 122 Cb 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3i6a h ALA 122 CO -0.26 0.50 0.17 1.25 0.00 0.00 0.00 179.25 180.91 3i6a h LEU 123 N 1.17 0.97 -0.68 0.00 5.85 -0.68 -0.48 115.31 121.46 3i6a h LEU 123 Ca 0.32 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3i6a h LEU 123 Cb -0.13 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.62 3i6a h LEU 123 CO -0.07 0.94 0.35 0.40 -0.34 0.00 0.00 178.44 179.72 3i6a h ILE 124 N 0.95 1.22 -0.55 4.05 2.04 -0.36 -1.65 117.51 123.22 3i6a h ILE 124 Ca 0.21 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3i6a h ILE 124 Cb 0.34 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3i6a h ILE 124 CO -0.00 0.25 0.30 0.11 0.00 0.00 0.00 178.15 178.81 3i6a h LYS 125 N 0.94 0.76 -0.66 2.37 1.57 -0.85 -0.67 116.57 120.03 3i6a h LYS 125 Ca 0.24 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3i6a h LYS 125 Cb 0.08 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3i6a h LYS 125 CO -0.03 0.59 0.32 1.49 -0.57 0.00 0.00 179.45 181.24 3i6a h GLU 126 N 0.74 0.95 -0.56 3.15 4.22 -0.87 -2.16 114.58 120.04 3i6a h GLU 126 Ca 0.19 -0.14 -0.08 0.00 0.08 0.00 0.00 59.36 59.42 3i6a h GLU 126 Cb 0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3i6a h GLU 126 CO -0.03 0.75 0.05 0.87 -2.18 0.00 0.00 179.01 178.46 3i6a h LYS 127 N 0.91 0.93 -0.15 1.92 1.57 -1.01 0.88 116.57 121.63 3i6a h LYS 127 Ca 0.23 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3i6a h LYS 127 Cb 0.11 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3i6a h LYS 127 CO -0.03 0.89 0.01 0.82 -0.57 0.00 0.00 179.45 180.58 3i6a h ILE 128 N 0.87 0.92 -0.06 1.86 2.04 -0.93 0.26 117.51 122.47 3i6a h ILE 128 Ca 0.17 -0.02 -0.22 0.00 1.00 0.00 0.00 64.86 65.79 3i6a h ILE 128 Cb 0.45 0.84 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3i6a h ILE 128 CO 0.02 0.01 -0.86 0.11 0.00 0.00 0.00 178.15 177.43 3i6a h LYS 129 N 0.07 0.56 0.00 2.37 1.57 -1.15 0.00 116.57 119.99 3i6a h LYS 129 Ca 0.07 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3i6a h LYS 129 Cb 0.07 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3i6a h LYS 129 CO -0.10 1.15 -1.30 0.09 -0.57 0.00 0.00 179.45 178.71 3i6a n ASN 130 N -3.84 0.94 0.07 0.86 3.02 0.28 -4.42 115.26 112.17 3i6a n ASN 130 Ca -0.07 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 3i6a n ASN 130 Cb 0.79 1.41 0.00 0.00 -0.61 0.00 0.00 39.78 41.36 3i6a n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3i6a n ARG 131 N -1.76 0.00 -0.01 3.52 0.63 -0.31 -4.85 116.66 113.89 3i6a n ARG 131 Ca -0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 3i6a n ARG 131 Cb 0.36 -0.29 -0.14 0.00 0.45 0.00 0.00 32.46 32.84 3i6a n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3i6a h TYR 132 N 0.00 0.35 -0.65 -0.14 0.05 -1.07 -3.01 116.97 112.50 3i6a h TYR 132 Ca 0.00 -0.25 -0.04 0.00 0.05 0.00 0.00 58.73 58.49 3i6a h TYR 132 Cb 0.12 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 3i6a h TYR 132 CO 0.00 1.39 0.25 0.74 -1.05 0.00 0.00 178.16 179.49 3i6a h PHE 133 N -0.52 1.00 -0.15 4.88 -1.00 -1.20 -1.38 116.94 118.58 3i6a h PHE 133 Ca -0.22 -0.08 -0.05 0.00 2.81 0.00 0.00 57.97 60.43 3i6a h PHE 133 Cb 1.56 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.81 3i6a h PHE 133 CO 0.17 0.79 -0.13 -1.35 -1.61 0.00 0.00 178.31 176.18 3i6a h PRO 134 N 0.92 0.24 -0.30 1.51 0.11 -1.76 0.74 132.00 133.45 3i6a h PRO 134 Ca 0.22 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.14 3i6a h PRO 134 Cb 0.22 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 3i6a h PRO 134 CO -0.02 0.37 -0.32 0.00 -0.21 0.00 0.00 178.00 177.82 3i6a h ALA 135 N 1.65 0.44 -0.30 -0.75 0.00 -1.25 -0.23 119.26 118.83 3i6a h ALA 135 Ca 0.05 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 3i6a h ALA 135 Cb 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i6a h ALA 135 CO 0.02 0.49 -0.48 0.74 0.00 0.00 0.00 179.25 180.02 3i6a h PHE 136 N 0.51 0.99 -0.85 0.00 0.04 -1.01 -2.12 116.94 114.50 3i6a h PHE 136 Ca 0.04 -0.33 -0.01 0.00 2.80 0.00 0.00 57.97 60.47 3i6a h PHE 136 Cb 0.90 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.82 3i6a h PHE 136 CO 0.07 1.13 0.48 1.49 -0.60 0.00 0.00 178.31 180.88 3i6a h GLU 137 N 0.64 1.18 -0.49 1.51 4.57 -0.79 -2.43 114.58 118.76 3i6a h GLU 137 Ca 0.03 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 3i6a h GLU 137 Cb 1.06 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 3i6a h GLU 137 CO 0.11 0.85 0.16 -0.22 -1.18 0.00 0.00 179.01 178.73 3i6a h LYS 138 N 1.19 0.75 -0.20 1.92 3.64 -0.80 -1.25 116.57 121.82 3i6a h LYS 138 Ca 0.30 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3i6a h LYS 138 Cb 0.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3i6a h LYS 138 CO -0.05 0.70 0.09 0.28 -2.27 0.00 0.00 179.45 178.20 3i6a h VAL 139 N 0.66 0.98 -0.50 2.00 2.07 -1.06 -2.28 116.25 118.11 3i6a h VAL 139 Ca 0.16 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 3i6a h VAL 139 Cb 0.26 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3i6a h VAL 139 CO -0.01 0.04 0.22 -0.07 0.02 0.00 0.00 177.57 177.77 3i6a h LEU 140 N 0.20 0.68 -1.45 2.57 3.38 -1.27 -2.63 115.31 116.77 3i6a h LEU 140 Ca 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3i6a h LEU 140 Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3i6a h LEU 140 CO -0.07 0.64 0.29 0.50 0.09 0.00 0.00 178.44 179.89 3i6a h LYS 141 N 0.67 0.66 -0.56 1.13 3.64 -1.22 -0.91 116.57 119.98 3i6a h LYS 141 Ca 0.17 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 3i6a h LYS 141 Cb 0.16 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3i6a h LYS 141 CO -0.02 0.47 -0.01 0.66 -2.27 0.00 0.00 179.45 178.28 3i6a h SER 142 N 0.68 0.98 0.00 4.20 4.64 -1.02 -3.12 113.55 119.91 3i6a h SER 142 Ca 0.18 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3i6a h SER 142 Cb -0.02 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.80 3i6a h SER 142 CO -0.03 1.05 -0.94 0.00 -0.87 0.00 0.00 176.83 176.04 3i6a n HIS 143 N -4.23 0.00 -0.85 4.77 1.44 -1.21 -5.00 115.22 110.14 3i6a n HIS 143 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 3i6a n HIS 143 Cb 0.34 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.42 3i6a n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i6a n GLY 144 N 1.43 0.13 3.95 -1.39 0.00 -0.35 -4.97 105.19 104.00 3i6a n GLY 144 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3i6a n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6a s GLN 145 N -1.32 2.04 0.28 1.61 -0.21 -1.26 -5.00 119.66 115.79 3i6a s GLN 145 Ca 0.00 -0.57 0.25 0.00 0.02 0.00 0.00 55.36 55.07 3i6a s GLN 145 Cb 0.00 -2.25 0.73 0.00 1.00 0.00 0.00 33.01 32.49 3i6a s GLN 145 CO 0.00 -1.26 1.74 -0.44 -2.12 0.00 0.00 175.29 173.21 3i6a h ASP 146 N -0.52 0.00 -4.41 5.90 3.32 -1.93 -3.46 116.42 115.32 3i6a h ASP 146 Ca -0.42 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.36 3i6a h ASP 146 Cb 1.29 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.70 3i6a h ASP 146 CO 0.52 0.00 -0.69 -0.31 -1.72 0.00 0.00 179.24 177.04 3i6a s TYR 147 N -3.16 1.06 0.16 4.55 2.02 -1.26 -4.89 117.35 115.84 3i6a s TYR 147 Ca 0.09 -0.89 -0.15 0.00 -0.37 0.00 0.00 57.07 55.74 3i6a s TYR 147 Cb 0.10 -0.59 0.05 0.00 -0.40 0.00 0.00 41.96 41.12 3i6a s TYR 147 CO 0.60 -0.10 1.81 -0.07 -1.57 0.00 0.00 175.55 176.22 3i6a h LEU 148 N 2.86 0.44 -7.75 -1.29 3.38 -1.89 -3.40 115.31 107.65 3i6a h LEU 148 Ca -0.36 -0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.18 3i6a h LEU 148 Cb 1.18 -0.09 -0.34 0.00 0.09 0.00 0.00 40.66 41.49 3i6a h LEU 148 CO 0.64 0.31 -0.78 -0.69 0.09 0.00 0.00 178.44 178.01 3i6a s VAL 149 N -6.15 0.62 -1.84 1.22 1.01 -1.26 -4.82 120.40 109.17 3i6a s VAL 149 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3i6a s VAL 149 Cb 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3i6a s VAL 149 CO 0.73 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.69 3i6a n GLY 150 N 4.16 0.48 4.16 4.51 0.00 -1.26 -3.07 105.19 114.16 3i6a n GLY 150 Ca -0.22 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3i6a n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i6a n ASN 151 N -1.53 -0.72 -3.79 1.61 5.15 -1.26 -4.95 115.26 109.78 3i6a n ASN 151 Ca -0.22 -1.11 -0.10 0.00 -0.60 0.00 0.00 54.58 52.55 3i6a n ASN 151 Cb 0.66 -1.41 -0.06 0.00 -0.53 0.00 0.00 39.78 38.45 3i6a n ASN 151 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3i6a s LYS 152 N -6.64 1.04 0.12 1.20 -2.85 -1.18 -4.84 119.74 106.59 3i6a s LYS 152 Ca 0.47 -0.91 -0.35 0.00 -1.00 0.00 0.00 55.97 54.18 3i6a s LYS 152 Cb -0.27 0.41 -0.15 0.00 -2.06 0.00 0.00 37.83 35.76 3i6a s LYS 152 CO 0.90 -0.38 1.52 -0.11 0.10 0.00 0.00 175.35 177.37 3i6a n LEU 153 N -0.18 2.64 -4.27 2.77 7.94 -1.26 -4.58 117.00 120.06 3i6a n LEU 153 Ca -0.13 1.09 -0.18 0.00 -1.11 0.00 0.00 56.01 55.68 3i6a n LEU 153 Cb 0.63 -1.34 -0.09 0.00 0.53 0.00 0.00 43.42 43.15 3i6a n LEU 153 CO 0.20 -0.52 -0.14 -0.94 -1.11 0.00 0.00 177.39 174.89 3i6a s SER 154 N 0.98 1.40 0.61 1.96 1.04 -1.26 -4.84 113.70 113.58 3i6a s SER 154 Ca 0.82 -1.69 0.32 0.00 0.48 0.00 0.00 55.95 55.88 3i6a s SER 154 Cb -0.77 0.52 1.92 0.00 0.10 0.00 0.00 66.02 67.79 3i6a s SER 154 CO 0.42 -1.02 2.26 0.08 0.98 0.00 0.00 173.24 175.96 3i6a h ARG 155 N 2.23 0.00 -0.47 4.02 0.11 -1.43 -2.24 114.38 116.60 3i6a h ARG 155 Ca -0.27 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.69 3i6a h ARG 155 Cb 1.24 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.30 3i6a h ARG 155 CO 0.40 0.00 -0.15 0.00 0.10 0.00 0.00 179.97 180.32 3i6a h ALA 156 N 1.97 0.84 -0.34 0.08 0.00 -1.91 0.78 119.26 120.68 3i6a h ALA 156 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 3i6a h ALA 156 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3i6a h ALA 156 CO -0.00 0.65 -0.29 -0.44 0.00 0.00 0.00 179.25 179.17 3i6a h ASP 157 N 0.80 0.75 0.02 0.00 3.32 -1.80 -0.74 116.42 118.77 3i6a h ASP 157 Ca 0.12 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3i6a h ASP 157 Cb 0.69 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3i6a h ASP 157 CO 0.05 0.99 -0.01 0.40 -1.72 0.00 0.00 179.24 178.95 3i6a h ILE 158 N 0.62 1.35 -0.80 0.35 1.08 -1.34 0.22 117.51 118.99 3i6a h ILE 158 Ca 0.07 -1.18 -0.01 0.00 -0.39 0.00 0.00 64.86 63.36 3i6a h ILE 158 Cb 0.80 2.14 -0.04 0.00 -3.07 0.00 0.00 36.82 36.65 3i6a h ILE 158 CO 0.07 0.30 0.46 0.45 -0.69 0.00 0.00 178.15 178.74 3i6a h HIS 159 N -0.54 1.06 -0.21 1.37 3.86 -0.87 -1.26 115.15 118.56 3i6a h HIS 159 Ca -0.00 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 3i6a h HIS 159 Cb 0.51 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 3i6a h HIS 159 CO 0.10 0.72 -0.22 1.25 0.86 0.00 0.00 177.93 180.64 3i6a h LEU 160 N 1.11 0.56 -1.01 2.43 5.85 -1.00 -2.65 115.31 120.60 3i6a h LEU 160 Ca 0.29 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 3i6a h LEU 160 Cb -0.02 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3i6a h LEU 160 CO -0.05 0.92 0.09 0.58 -0.34 0.00 0.00 178.44 179.65 3i6a h VAL 161 N 0.20 1.23 -0.38 1.05 2.07 -0.77 0.72 116.25 120.37 3i6a h VAL 161 Ca 0.03 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.77 3i6a h VAL 161 Cb 0.77 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 3i6a h VAL 161 CO 0.05 0.32 -0.16 -0.08 0.02 0.00 0.00 177.57 177.72 3i6a h GLU 162 N 0.78 -0.08 -0.85 1.57 4.81 -1.21 -0.82 114.58 118.78 3i6a h GLU 162 Ca 0.17 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3i6a h GLU 162 Cb 0.33 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3i6a h GLU 162 CO 0.00 -0.05 0.56 1.25 -0.73 0.00 0.00 179.01 180.04 3i6a h LEU 163 N -0.09 0.96 -0.90 1.64 5.85 -0.88 -2.19 115.31 119.70 3i6a h LEU 163 Ca 0.19 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3i6a h LEU 163 Cb 0.37 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3i6a h LEU 163 CO -0.43 0.68 0.58 -0.07 -0.34 0.00 0.00 178.44 178.86 3i6a h LEU 164 N 1.13 0.97 -0.65 2.25 3.38 -0.04 -0.54 115.31 121.80 3i6a h LEU 164 Ca 0.32 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 3i6a h LEU 164 Cb -0.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 3i6a h LEU 164 CO -0.08 0.66 0.32 1.88 0.09 0.00 0.00 178.44 181.31 3i6a h TYR 165 N 1.13 0.93 -0.55 1.13 0.05 -0.83 0.93 116.97 119.75 3i6a h TYR 165 Ca 0.36 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 59.01 3i6a h TYR 165 Cb 0.00 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 3i6a h TYR 165 CO -0.02 0.70 0.01 -0.92 -1.05 0.00 0.00 178.16 176.88 3i6a h TYR 166 N 0.90 1.01 -0.09 4.88 5.03 -0.84 -2.27 116.97 125.59 3i6a h TYR 166 Ca 0.22 -0.16 -0.11 0.00 2.58 0.00 0.00 58.73 61.27 3i6a h TYR 166 Cb 0.11 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.11 3i6a h TYR 166 CO 0.00 0.90 -0.44 0.28 -1.32 0.00 0.00 178.16 177.58 3i6a h VAL 167 N 0.87 1.32 -0.79 1.81 2.07 -0.79 -2.22 116.25 118.52 3i6a h VAL 167 Ca 0.16 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 3i6a h VAL 167 Cb 0.50 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 3i6a h VAL 167 CO 0.02 0.47 0.40 -0.08 0.02 0.00 0.00 177.57 178.40 3i6a h GLU 168 N 0.17 1.13 -0.63 1.57 4.81 -0.49 -0.46 114.58 120.69 3i6a h GLU 168 Ca 0.01 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3i6a h GLU 168 Cb 0.86 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 3i6a h GLU 168 CO 0.07 0.86 0.35 0.93 -0.73 0.00 0.00 179.01 180.49 3i6a h GLU 169 N 1.11 0.64 0.11 1.92 5.08 -0.97 -2.94 114.58 119.54 3i6a h GLU 169 Ca 0.27 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3i6a h GLU 169 Cb 0.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3i6a h GLU 169 CO -0.04 0.42 -0.06 1.25 -1.00 0.00 0.00 179.01 179.59 3i6a h LEU 170 N 0.66 -0.13 -6.03 1.33 6.46 -1.05 -3.44 115.31 113.11 3i6a h LEU 170 Ca 0.27 -0.31 0.16 0.00 -0.12 0.00 0.00 57.88 57.89 3i6a h LEU 170 Cb 0.15 0.03 -0.21 0.00 -0.73 0.00 0.00 40.66 39.90 3i6a h LEU 170 CO -0.16 0.26 -0.06 -0.62 -0.62 0.00 0.00 178.44 177.23 3i6a s ASP 171 N -5.40 -0.92 0.31 1.25 -1.08 -0.21 -5.04 116.67 105.58 3i6a s ASP 171 Ca -0.15 0.60 0.24 0.00 -0.52 0.00 0.00 52.55 52.73 3i6a s ASP 171 Cb 0.02 1.78 1.13 0.00 -1.46 0.00 0.00 42.92 44.40 3i6a s ASP 171 CO 0.62 -0.17 1.73 0.77 0.52 0.00 0.00 175.17 178.63 3i6a h SER 172 N 7.99 0.00 1.21 -0.34 4.64 -1.68 -2.42 113.55 122.96 3i6a h SER 172 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3i6a h SER 172 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3i6a h SER 172 CO 0.08 0.00 -0.07 -1.54 -0.87 0.00 0.00 176.83 174.43 3i6a n SER 173 N -2.32 0.50 0.16 4.97 3.41 -1.26 -4.02 113.62 115.05 3i6a n SER 173 Ca 0.00 0.47 0.04 0.00 -0.26 0.00 0.00 58.87 59.13 3i6a n SER 173 Cb 0.14 -0.56 0.45 0.00 -0.26 0.00 0.00 64.21 63.98 3i6a n SER 173 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i6a h LEU 174 N 0.00 0.15 -0.24 1.04 3.38 -1.75 -0.84 115.31 117.04 3i6a h LEU 174 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i6a h LEU 174 Cb 0.64 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3i6a h LEU 174 CO 0.00 0.27 -0.18 0.00 0.09 0.00 0.00 178.44 178.62 3i6a n ILE 175 N -4.33 0.00 -0.13 1.22 3.06 -1.26 -4.47 119.36 113.45 3i6a n ILE 175 Ca -0.01 -0.06 0.05 0.00 -2.50 0.00 0.00 62.75 60.23 3i6a n ILE 175 Cb 0.23 0.03 0.36 0.00 0.54 0.00 0.00 39.64 40.80 3i6a n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3i6a h SER 176 N 0.60 0.63 -0.28 9.51 4.64 -1.36 0.17 113.55 127.45 3i6a h SER 176 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3i6a h SER 176 Cb 0.42 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3i6a h SER 176 CO 0.00 0.43 0.00 -1.20 -0.87 0.00 0.00 176.83 175.19 3i6a n SER 177 N -4.47 3.05 -3.45 4.97 7.64 -1.26 -4.62 113.62 115.49 3i6a n SER 177 Ca 0.08 -2.38 -0.26 0.00 1.01 0.00 0.00 58.87 57.32 3i6a n SER 177 Cb 0.16 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 3i6a n SER 177 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3i6a n PHE 178 N 0.32 1.73 0.10 1.43 3.72 0.61 -4.94 117.46 120.44 3i6a n PHE 178 Ca 0.13 -3.89 0.02 0.00 -0.05 0.00 0.00 57.45 53.66 3i6a n PHE 178 Cb 0.64 -0.38 0.37 0.00 -0.94 0.00 0.00 39.48 39.17 3i6a n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3i6a h PRO 179 N 4.59 0.29 0.00 -1.08 0.13 -1.82 -1.92 132.00 132.19 3i6a h PRO 179 Ca 0.16 -0.07 -0.16 0.00 -0.87 0.00 0.00 66.00 65.06 3i6a h PRO 179 Cb 0.78 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 3i6a h PRO 179 CO 0.64 0.42 -0.78 -0.07 -0.23 0.00 0.00 178.00 177.97 3i6a h LEU 180 N 0.27 0.00 -0.49 1.56 3.38 -1.94 -1.11 115.31 116.98 3i6a h LEU 180 Ca 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3i6a h LEU 180 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3i6a h LEU 180 CO 0.02 0.78 -0.10 -0.07 0.09 0.00 0.00 178.44 179.16 3i6a h LEU 181 N 0.00 0.94 -0.80 1.67 3.38 -1.78 -1.23 115.31 117.49 3i6a h LEU 181 Ca -0.01 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.66 3i6a h LEU 181 Cb 1.43 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 3i6a h LEU 181 CO 0.10 1.07 0.49 0.11 0.09 0.00 0.00 178.44 180.31 3i6a h LYS 182 N 0.79 0.90 -0.32 1.13 1.57 -1.05 -0.83 116.57 118.75 3i6a h LYS 182 Ca 0.13 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 3i6a h LYS 182 Cb 0.65 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3i6a h LYS 182 CO 0.05 0.59 -0.44 0.00 -0.57 0.00 0.00 179.45 179.08 3i6a h ALA 183 N 1.37 0.48 -0.78 3.86 0.00 -1.06 -2.21 119.26 120.93 3i6a h ALA 183 Ca 0.34 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3i6a h ALA 183 Cb 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3i6a h ALA 183 CO -0.15 0.62 0.50 1.25 0.00 0.00 0.00 179.25 181.47 3i6a h LEU 184 N 0.65 0.82 -0.38 0.00 5.85 -1.08 -1.42 115.31 119.74 3i6a h LEU 184 Ca 0.04 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3i6a h LEU 184 Cb 1.04 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3i6a h LEU 184 CO 0.10 0.56 0.16 0.50 -0.34 0.00 0.00 178.44 179.43 3i6a h LYS 185 N 0.97 0.32 -0.28 1.25 3.64 -0.87 -0.56 116.57 121.04 3i6a h LYS 185 Ca 0.31 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3i6a h LYS 185 Cb 0.01 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3i6a h LYS 185 CO -0.11 0.21 0.05 1.15 -2.27 0.00 0.00 179.45 178.48 3i6a h THR 186 N 0.33 1.23 -0.34 1.00 2.02 -1.22 0.24 112.91 116.18 3i6a h THR 186 Ca 0.17 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3i6a h THR 186 Cb 0.12 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3i6a h THR 186 CO -0.15 0.25 0.20 -0.09 0.37 0.00 0.00 175.52 176.10 3i6a h ARG 187 N 0.28 0.40 -0.31 6.66 2.43 -0.98 -1.50 114.38 121.36 3i6a h ARG 187 Ca 0.09 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 3i6a h ARG 187 Cb 0.32 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3i6a h ARG 187 CO 0.00 0.27 -0.46 0.82 -1.51 0.00 0.00 179.97 179.09 3i6a h ILE 188 N 0.42 1.28 0.00 1.20 1.08 -1.00 -2.89 117.51 117.59 3i6a h ILE 188 Ca 0.13 -1.65 -0.02 0.00 -0.39 0.00 0.00 64.86 62.94 3i6a h ILE 188 Cb -0.01 1.53 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 3i6a h ILE 188 CO -0.06 0.54 -0.07 0.28 -0.69 0.00 0.00 178.15 178.15 3i6a h SER 189 N 0.66 0.00 0.58 1.72 0.02 -0.23 -2.06 113.55 114.24 3i6a h SER 189 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3i6a h SER 189 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3i6a h SER 189 CO 0.10 0.07 -0.24 0.59 -1.14 0.00 0.00 176.83 176.22 3i6a n ASN 190 N -3.72 0.39 -4.73 3.07 3.02 -0.59 -3.38 115.26 109.31 3i6a n ASN 190 Ca -0.02 -0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 53.93 3i6a n ASN 190 Cb 0.18 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 3i6a n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i6a s LEU 191 N -2.82 4.38 0.26 3.41 1.43 -0.78 -4.77 118.68 119.79 3i6a s LEU 191 Ca 0.18 2.65 -0.02 0.00 -1.03 0.00 0.00 54.13 55.90 3i6a s LEU 191 Cb 0.19 -3.61 0.54 0.00 0.03 0.00 0.00 46.19 43.33 3i6a s LEU 191 CO 0.58 -0.75 1.70 -0.65 0.23 0.00 0.00 176.35 177.46 3i6a h PRO 192 N 5.69 0.34 -0.59 1.29 0.11 -1.89 0.34 132.00 137.28 3i6a h PRO 192 Ca -0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 3i6a h PRO 192 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3i6a h PRO 192 CO 0.83 0.22 0.03 1.79 -0.21 0.00 0.00 178.00 180.66 3i6a h THR 193 N 0.35 1.26 -0.29 -1.15 1.35 -1.87 -0.70 112.91 111.86 3i6a h THR 193 Ca 0.46 -1.10 -0.15 0.00 -0.55 0.00 0.00 66.41 65.07 3i6a h THR 193 Cb 0.79 0.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3i6a h THR 193 CO -0.49 0.40 -0.41 0.58 -0.25 0.00 0.00 175.52 175.34 3i6a h VAL 194 N 0.92 1.29 -0.62 6.82 2.07 -1.45 -2.16 116.25 123.12 3i6a h VAL 194 Ca 0.17 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.09 3i6a h VAL 194 Cb 0.51 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3i6a h VAL 194 CO 0.02 0.52 0.39 0.50 0.02 0.00 0.00 177.57 179.02 3i6a h LYS 195 N 0.54 0.83 -0.31 1.57 3.64 -0.24 0.75 116.57 123.35 3i6a h LYS 195 Ca 0.03 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3i6a h LYS 195 Cb 1.01 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 3i6a h LYS 195 CO 0.10 0.57 0.05 -0.22 -2.27 0.00 0.00 179.45 177.68 3i6a h LYS 196 N 0.84 0.15 0.00 1.90 3.64 -1.04 -2.34 116.57 119.72 3i6a h LYS 196 Ca 0.22 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3i6a h LYS 196 Cb -0.06 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3i6a h LYS 196 CO -0.05 0.10 -0.15 0.35 -2.27 0.00 0.00 179.45 177.43 3i6a h PHE 197 N 0.16 0.00 0.00 1.91 3.57 -0.78 -2.29 116.94 119.51 3i6a h PHE 197 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3i6a h PHE 197 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3i6a h PHE 197 CO -0.19 0.15 0.00 -0.07 -2.23 0.00 0.00 178.31 175.98 3i6a h LEU 198 N 0.00 0.00-10.00 0.59 3.38 -0.33 -3.41 115.31 105.53 3i6a h LEU 198 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3i6a h LEU 198 Cb 0.59 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.38 3i6a h LEU 198 CO 0.02 0.00 0.43 -1.10 0.09 0.00 0.00 178.44 177.88 3i6a s GLN 199 N -3.18 3.91 0.21 1.13 -0.21 -0.86 -4.96 119.66 115.70 3i6a s GLN 199 Ca 0.09 1.57 -0.30 0.00 0.02 0.00 0.00 55.36 56.74 3i6a s GLN 199 Cb 0.10 -2.37 -0.16 0.00 1.00 0.00 0.00 33.01 31.58 3i6a s GLN 199 CO 0.59 -0.37 0.80 -2.30 -2.12 0.00 0.00 175.29 171.88 3i6a n PRO 200 N -0.46 0.56 -0.79 2.91 -0.02 -1.26 -2.55 135.00 133.39 3i6a n PRO 200 Ca 0.07 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3i6a n PRO 200 Cb 0.50 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 3i6a n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6a n GLY 201 N 1.73 0.85 3.70 -1.23 0.00 -1.26 -5.06 105.19 103.92 3i6a n GLY 201 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3i6a n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i6a s SER 202 N -2.83 1.56 0.00 1.61 1.04 -1.06 -4.93 113.70 109.10 3i6a s SER 202 Ca 0.00 0.49 0.18 0.00 0.48 0.00 0.00 55.95 57.10 3i6a s SER 202 Cb 0.00 -0.65 0.98 0.00 0.10 0.00 0.00 66.02 66.45 3i6a s SER 202 CO 0.00 -3.71 1.54 -2.65 0.98 0.00 0.00 173.24 169.40 3i6a n PRO 203 N -4.46 0.36 -1.72 4.02 -0.02 -1.26 -4.83 135.00 127.09 3i6a n PRO 203 Ca 0.14 0.08 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 3i6a n PRO 203 Cb 0.59 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.55 3i6a n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i6a n ARG 204 N -1.20 2.63 -3.83 -0.52 0.63 -1.26 -4.96 116.66 108.15 3i6a n ARG 204 Ca 0.10 0.94 -0.27 0.00 -0.92 0.00 0.00 57.85 57.71 3i6a n ARG 204 Cb 0.12 -2.75 -0.03 0.00 0.45 0.00 0.00 32.46 30.25 3i6a n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3i6a s LYS 205 N 0.50 3.48 0.90 -0.14 -0.14 -1.26 -4.97 119.74 118.10 3i6a s LYS 205 Ca 0.72 -0.48 -0.12 0.00 -1.36 0.00 0.00 55.97 54.73 3i6a s LYS 205 Cb -0.53 -2.91 0.13 0.00 -1.68 0.00 0.00 37.83 32.84 3i6a s LYS 205 CO 0.39 0.47 1.09 -1.25 -0.76 0.00 0.00 175.35 175.29 3i6a s PRO 206 N -3.27 1.25 0.79 -1.68 0.04 -1.26 -4.87 135.00 126.01 3i6a s PRO 206 Ca 0.36 0.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.04 3i6a s PRO 206 Cb -0.11 -1.81 0.07 0.00 0.04 0.00 0.00 34.50 32.69 3i6a s PRO 206 CO 0.29 -2.22 1.10 -1.25 0.04 0.00 0.00 177.00 174.95 3i6a s PRO 207 N -4.98 2.07 0.10 0.56 0.04 -1.26 -4.22 135.00 127.31 3i6a s PRO 207 Ca 0.63 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 3i6a s PRO 207 Cb -0.17 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 3i6a s PRO 207 CO 0.57 -1.79 1.17 -1.25 0.04 0.00 0.00 177.00 175.73 3i6a s PRO 208 N -4.87 4.48 0.52 0.56 0.04 -1.26 -4.98 135.00 129.49 3i6a s PRO 208 Ca 0.62 1.75 0.06 0.00 0.04 0.00 0.00 61.00 63.47 3i6a s PRO 208 Cb -0.18 -3.33 0.03 0.00 0.04 0.00 0.00 34.50 31.06 3i6a s PRO 208 CO 0.56 -0.16 0.40 0.16 0.04 0.00 0.00 177.00 178.01 3i6a s ASP 209 N 0.70 4.68 0.25 6.66 1.47 -1.26 -4.98 116.67 124.19 3i6a s ASP 209 Ca 0.56 -1.16 -0.05 0.00 1.18 0.00 0.00 52.55 53.07 3i6a s ASP 209 Cb -0.29 0.24 0.48 0.00 -0.34 0.00 0.00 42.92 43.01 3i6a s ASP 209 CO 0.31 -1.03 1.64 -0.33 0.68 0.00 0.00 175.17 176.45 3i6a h GLU 210 N 0.80 0.13 -0.80 2.11 4.39 -1.99 -1.89 114.58 117.34 3i6a h GLU 210 Ca -0.37 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.28 3i6a h GLU 210 Cb 1.29 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.88 3i6a h GLU 210 CO 0.57 0.09 0.34 0.82 -1.16 0.00 0.00 179.01 179.67 3i6a h ILE 211 N 0.14 1.26 -0.46 3.13 1.08 -1.99 -0.75 117.51 119.91 3i6a h ILE 211 Ca 0.43 -0.79 -0.13 0.00 -0.39 0.00 0.00 64.86 63.98 3i6a h ILE 211 Cb 0.78 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3i6a h ILE 211 CO -0.64 0.33 -0.21 0.22 -0.69 0.00 0.00 178.15 177.15 3i6a h TYR 212 N 1.15 1.09 -0.42 1.37 5.03 -1.77 -1.59 116.97 121.84 3i6a h TYR 212 Ca 0.27 -0.27 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 3i6a h TYR 212 Cb 0.19 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 3i6a h TYR 212 CO 0.02 1.08 0.23 0.28 -1.32 0.00 0.00 178.16 178.44 3i6a h VAL 213 N 0.79 1.15 -0.23 1.81 2.07 -0.91 -0.41 116.25 120.53 3i6a h VAL 213 Ca 0.10 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3i6a h VAL 213 Cb 0.79 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3i6a h VAL 213 CO 0.07 0.16 0.14 0.03 0.02 0.00 0.00 177.57 177.98 3i6a h ARG 214 N 0.54 0.31 -0.98 1.57 3.08 -1.14 -1.71 114.38 116.05 3i6a h ARG 214 Ca 0.15 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.28 3i6a h ARG 214 Cb 0.05 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 29.96 3i6a h ARG 214 CO -0.02 0.24 0.62 1.15 -1.07 0.00 0.00 179.97 180.89 3i6a h THR 215 N 0.28 0.95 -0.34 2.04 2.02 -0.92 0.38 112.91 117.32 3i6a h THR 215 Ca 0.08 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 3i6a h THR 215 Cb 0.01 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.29 3i6a h THR 215 CO -0.02 0.18 -0.10 0.58 0.37 0.00 0.00 175.52 176.53 3i6a h VAL 216 N 0.98 1.28 0.34 3.16 2.07 -0.68 -2.32 116.25 121.08 3i6a h VAL 216 Ca 0.47 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3i6a h VAL 216 Cb 0.44 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3i6a h VAL 216 CO -0.23 0.38 -0.25 1.88 0.02 0.00 0.00 177.57 179.38 3i6a h TYR 217 N 0.46 -0.65 -0.96 1.57 0.99 -0.41 -2.59 116.97 115.39 3i6a h TYR 217 Ca 0.08 -0.00 0.30 0.00 2.00 0.00 0.00 58.73 61.11 3i6a h TYR 217 Cb 0.61 0.24 -0.15 0.00 1.00 0.00 0.00 36.73 38.43 3i6a h TYR 217 CO 0.05 -0.37 0.39 -0.91 -0.00 0.00 0.00 178.16 177.32 3i6a h ASN 218 N -0.58 0.20 -0.41 3.88 2.35 -0.92 -0.81 115.58 119.28 3i6a h ASN 218 Ca -0.03 0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.81 3i6a h ASN 218 Cb 0.50 0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 3i6a h ASN 218 CO 0.00 -0.21 -0.21 0.40 -1.65 0.00 0.00 177.43 175.76 3i6a h ILE 219 N 0.20 1.28 -0.02 2.81 2.04 -1.12 -3.41 117.51 119.28 3i6a h ILE 219 Ca 0.67 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3i6a h ILE 219 Cb 1.50 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3i6a h ILE 219 CO -0.68 0.46 0.00 0.49 0.00 0.00 0.00 178.15 178.42