#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6a s GLU 3 N 0.00 0.39 0.16 0.00 2.12 -1.26 -5.16 118.70 114.95 3i6a s GLU 3 Ca 0.00 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 54.93 3i6a s GLU 3 Cb 0.00 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.48 3i6a s GLU 3 CO 0.00 -0.08 1.25 0.15 -0.54 0.00 0.00 175.26 176.04 3i6a s LYS 4 N -0.75 4.43 0.39 4.30 1.02 -1.26 -4.80 119.74 123.07 3i6a s LYS 4 Ca -0.08 1.93 -0.27 0.00 0.02 0.00 0.00 55.97 57.57 3i6a s LYS 4 Cb -0.05 -3.25 -0.11 0.00 -0.52 0.00 0.00 37.83 33.91 3i6a s LYS 4 CO 0.01 -0.21 1.31 -2.30 -0.92 0.00 0.00 175.35 173.24 3i6a n PRO 5 N 2.99 2.10 -3.91 -1.68 -0.02 -1.26 -4.78 135.00 128.44 3i6a n PRO 5 Ca 0.07 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.94 3i6a n PRO 5 Cb 0.44 -2.41 -0.14 0.00 -0.02 0.00 0.00 33.50 31.38 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 -2.09 3.40 -0.33 -0.52 2.20 -0.19 -1.53 119.74 120.69 3i6a s LYS 6 Ca 0.58 -0.61 -0.13 0.00 -0.36 0.00 0.00 55.97 55.45 3i6a s LYS 6 Cb -0.52 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 3i6a s LYS 6 CO 0.60 -0.19 0.25 -0.51 -0.36 0.00 0.00 175.35 175.14 3i6a s LEU 7 N 1.47 4.41 -0.45 5.43 1.02 -0.26 -1.49 118.68 128.81 3i6a s LEU 7 Ca 0.06 -0.30 -0.16 0.00 0.02 0.00 0.00 54.13 53.75 3i6a s LEU 7 Cb -0.14 -2.17 0.05 0.00 0.02 0.00 0.00 46.19 43.94 3i6a s LEU 7 CO -0.03 -0.21 0.37 -1.00 0.02 0.00 0.00 176.35 175.50 3i6a s HIS 8 N 1.78 3.23 0.30 0.29 3.76 0.11 -1.51 115.29 123.24 3i6a s HIS 8 Ca 0.07 -0.72 -0.19 0.00 -0.15 0.00 0.00 55.06 54.06 3i6a s HIS 8 Cb -0.17 -2.94 0.04 0.00 1.11 0.00 0.00 32.58 30.62 3i6a s HIS 8 CO 0.11 -0.72 0.79 -0.47 -0.85 0.00 0.00 174.74 173.60 3i6a s TYR 9 N 1.75 -0.05 0.74 1.40 5.04 -1.23 -2.79 117.35 122.21 3i6a s TYR 9 Ca 0.06 -0.47 -0.11 0.00 -2.44 0.00 0.00 57.07 54.10 3i6a s TYR 9 Cb -0.21 0.75 0.04 0.00 0.35 0.00 0.00 41.96 42.89 3i6a s TYR 9 CO 0.09 -1.31 1.09 -0.06 -1.34 0.00 0.00 175.55 174.02 3i6a s PHE 10 N -3.15 2.68 -1.27 4.97 0.40 -1.26 -0.64 117.98 119.70 3i6a s PHE 10 Ca 0.13 1.53 -0.19 0.00 -0.60 0.00 0.00 56.93 57.81 3i6a s PHE 10 Cb -0.05 -3.03 0.02 0.00 0.51 0.00 0.00 43.02 40.47 3i6a s PHE 10 CO 0.08 -1.68 1.84 -1.71 0.70 0.00 0.00 175.22 174.45 3i6a n ASN 11 N -3.31 4.32 -3.59 1.36 2.85 -1.26 -4.80 115.26 110.83 3i6a n ASN 11 Ca 0.09 -2.85 -0.01 0.00 -0.11 0.00 0.00 54.58 51.70 3i6a n ASN 11 Cb 0.53 -1.71 0.01 0.00 1.24 0.00 0.00 39.78 39.85 3i6a n ASN 11 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3i6a s GLY 12 N 4.65 -0.08 0.00 8.20 0.00 -1.26 -5.03 107.32 113.80 3i6a s GLY 12 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.27 3i6a s GLY 12 CO 0.08 2.81 0.64 0.54 0.00 0.00 0.00 173.10 177.18 3i6a n ARG 13 N -0.71 0.00 0.00 2.90 1.74 -1.26 -4.78 116.66 114.56 3i6a n ARG 13 Ca -0.02 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 3i6a n ARG 13 Cb 0.60 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 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 -0.04 1.65 0.20 -0.13 0.00 -1.26 -1.95 105.19 103.66 3i6a n GLY 14 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 13.59 1.27 -0.00 1.61 1.74 -1.26 -3.73 116.66 129.88 3i6a n ARG 15 Ca 0.00 -0.40 0.09 0.00 -0.77 0.00 0.00 57.85 56.76 3i6a n ARG 15 Cb 0.00 -1.36 -0.11 0.00 -1.02 0.00 0.00 32.46 29.97 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 -0.41 1.02 -0.06 5.56 1.56 -0.96 -4.59 117.12 119.24 3i6a n MET 16 Ca 0.16 -0.03 -0.02 0.00 -0.27 0.00 0.00 57.70 57.54 3i6a n MET 16 Cb 0.17 -1.36 0.22 0.00 2.15 0.00 0.00 33.22 34.41 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 0.00 0.67 0.00 2.12 4.57 -1.47 -2.28 114.58 118.18 3i6a h GLU 17 Ca 0.00 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 57.94 3i6a h GLU 17 Cb 0.49 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3i6a h GLU 17 CO 0.00 0.69 -0.39 0.66 -1.18 0.00 0.00 179.01 178.78 3i6a h SER 18 N 0.64 0.00 0.14 1.04 4.64 -1.85 -1.60 113.55 116.56 3i6a h SER 18 Ca 0.13 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.21 3i6a h SER 18 Cb 0.39 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3i6a h SER 18 CO 0.01 0.39 -0.93 0.74 -0.87 0.00 0.00 176.83 176.18 3i6a h THR 19 N 0.00 1.34 -0.33 2.95 2.02 -1.73 -1.29 112.91 115.86 3i6a h THR 19 Ca -0.00 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.91 3i6a h THR 19 Cb 0.78 2.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.48 3i6a h THR 19 CO 0.05 0.69 0.22 0.03 0.37 0.00 0.00 175.52 176.88 3i6a h ARG 20 N 0.34 0.44 -0.11 6.66 3.08 -0.99 -1.00 114.38 122.80 3i6a h ARG 20 Ca -0.09 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3i6a h ARG 20 Cb 1.57 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.49 3i6a h ARG 20 CO 0.17 0.29 -0.06 -1.49 -1.07 0.00 0.00 179.97 177.81 3i6a h TRP 21 N 0.45 -0.15 -0.41 3.04 4.06 -1.25 -1.99 115.95 119.70 3i6a h TRP 21 Ca 0.12 0.01 -0.06 0.00 2.06 0.00 0.00 58.89 61.02 3i6a h TRP 21 Cb -0.05 0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 3i6a h TRP 21 CO -0.05 -0.10 0.01 1.25 -3.56 0.00 0.00 178.44 175.99 3i6a h LEU 22 N -0.06 0.71 -0.47 -4.49 5.85 -1.00 0.96 115.31 116.80 3i6a h LEU 22 Ca 0.07 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3i6a h LEU 22 Cb 0.16 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3i6a h LEU 22 CO -0.15 0.83 0.29 -0.07 -0.34 0.00 0.00 178.44 179.00 3i6a h LEU 23 N 0.56 0.56 0.22 2.25 3.38 -1.22 -1.02 115.31 120.04 3i6a h LEU 23 Ca 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3i6a h LEU 23 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3i6a h LEU 23 CO 0.02 0.45 -0.11 0.00 0.09 0.00 0.00 178.44 178.89 3i6a h ALA 24 N 1.14 -0.30 -0.83 1.53 0.00 -1.24 0.30 119.26 119.85 3i6a h ALA 24 Ca 0.17 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3i6a h ALA 24 Cb -0.02 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3i6a h ALA 24 CO -0.03 -0.66 0.54 0.00 0.00 0.00 0.00 179.25 179.10 3i6a h ALA 25 N 0.47 1.62 -0.00 0.00 0.00 -0.71 -1.11 119.26 119.52 3i6a h ALA 25 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i6a h ALA 25 Cb 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3i6a h ALA 25 CO 0.05 0.25 -0.00 0.00 0.00 0.00 0.00 179.25 179.55 3i6a n ALA 26 N -2.42 2.56 -0.81 0.00 0.00 -0.40 -4.75 120.51 114.69 3i6a n ALA 26 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3i6a n ALA 26 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.19 0.62 3.37 0.00 0.00 -0.42 -5.03 105.19 104.92 3i6a n GLY 27 Ca 0.18 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 4.34 0.36 1.61 1.01 0.03 -5.02 120.40 120.72 3i6a s VAL 28 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 3i6a s VAL 28 Cb 0.00 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 3i6a s VAL 28 CO 0.00 -0.08 1.53 -1.61 0.00 0.00 0.00 175.10 174.93 3i6a s GLU 29 N 1.53 4.10 0.17 2.72 2.02 -1.26 -4.32 118.70 123.65 3i6a s GLU 29 Ca 0.02 2.59 -0.07 0.00 0.02 0.00 0.00 54.97 57.54 3i6a s GLU 29 Cb -0.18 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.05 3i6a s GLU 29 CO 0.05 -0.58 0.23 -0.59 0.02 0.00 0.00 175.26 174.39 3i6a s PHE 30 N -0.82 0.58 0.24 1.61 -0.12 -1.26 -4.27 117.98 113.94 3i6a s PHE 30 Ca 0.56 -0.93 0.09 0.00 -0.05 0.00 0.00 56.93 56.60 3i6a s PHE 30 Cb -0.47 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 41.69 3i6a s PHE 30 CO 0.60 -0.68 0.00 -1.21 -0.05 0.00 0.00 175.22 173.87 3i6a s GLU 31 N -4.01 2.33 -0.02 1.99 2.02 -0.58 -5.01 118.70 115.43 3i6a s GLU 31 Ca 0.21 -1.33 0.05 0.00 0.02 0.00 0.00 54.97 53.92 3i6a s GLU 31 Cb 0.04 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 3i6a s GLU 31 CO 0.02 0.39 -0.16 -1.21 0.02 0.00 0.00 175.26 174.32 3i6a s GLU 32 N -3.50 1.34 -0.31 1.61 2.02 -1.26 -1.10 118.70 117.50 3i6a s GLU 32 Ca 0.30 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.72 3i6a s GLU 32 Cb -0.07 -1.28 0.07 0.00 0.10 0.00 0.00 34.13 32.95 3i6a s GLU 32 CO 0.20 0.33 0.01 0.21 0.02 0.00 0.00 175.26 176.03 3i6a s LYS 33 N -0.33 2.18 0.19 1.61 2.20 -0.57 -4.91 119.74 120.10 3i6a s LYS 33 Ca 0.05 -1.46 -0.30 0.00 -0.36 0.00 0.00 55.97 53.90 3i6a s LYS 33 Cb -0.07 -3.17 -0.08 0.00 -1.51 0.00 0.00 37.83 33.01 3i6a s LYS 33 CO -0.00 -0.72 1.04 -0.06 -0.36 0.00 0.00 175.35 175.25 3i6a s PHE 34 N 1.14 3.71 -0.37 4.03 0.08 -1.26 -3.49 117.98 121.82 3i6a s PHE 34 Ca -0.02 1.71 -0.22 0.00 0.12 0.00 0.00 56.93 58.52 3i6a s PHE 34 Cb -0.20 -3.18 0.01 0.00 -0.57 0.00 0.00 43.02 39.08 3i6a s PHE 34 CO -0.04 -0.24 0.74 0.42 -0.10 0.00 0.00 175.22 176.01 3i6a s ILE 35 N -0.47 4.77 -0.08 0.64 1.01 0.18 -4.91 121.20 122.35 3i6a s ILE 35 Ca 0.47 0.75 0.22 0.00 0.00 0.00 0.00 60.65 62.09 3i6a s ILE 35 Cb -0.28 -4.18 -0.28 0.00 0.01 0.00 0.00 42.46 37.73 3i6a s ILE 35 CO 0.34 -0.43 0.54 0.29 0.00 0.00 0.00 174.94 175.69 3i6a n LYS 36 N 6.34 0.65 -3.98 2.79 4.76 -1.26 -4.46 118.16 123.00 3i6a n LYS 36 Ca 0.02 -0.13 -0.10 0.00 -2.87 0.00 0.00 58.31 55.24 3i6a n LYS 36 Cb 0.48 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 32.04 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 -4.76 -0.05 0.42 4.39 1.04 -1.26 -4.93 113.70 108.55 3i6a s SER 37 Ca -0.07 -0.91 0.13 0.00 0.48 0.00 0.00 55.95 55.58 3i6a s SER 37 Cb 0.13 0.52 0.98 0.00 0.10 0.00 0.00 66.02 67.74 3i6a s SER 37 CO 0.88 -1.03 1.96 0.00 0.98 0.00 0.00 173.24 176.03 3i6a h ALA 38 N 2.36 1.97 -0.39 5.32 0.00 -1.85 -2.25 119.26 124.42 3i6a h ALA 38 Ca -0.29 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3i6a h ALA 38 Cb 1.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3i6a h ALA 38 CO 0.41 -0.12 -0.23 0.93 0.00 0.00 0.00 179.25 180.23 3i6a h GLU 39 N 0.48 0.79 -0.63 0.00 3.07 -1.95 0.37 114.58 116.71 3i6a h GLU 39 Ca 0.31 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3i6a h GLU 39 Cb 0.57 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 3i6a h GLU 39 CO -0.10 0.95 0.21 -0.44 -1.40 0.00 0.00 179.01 178.23 3i6a h ASP 40 N 0.69 0.92 -0.26 1.42 3.32 -1.82 -1.39 116.42 119.30 3i6a h ASP 40 Ca 0.09 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 3i6a h ASP 40 Cb 0.75 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3i6a h ASP 40 CO 0.06 0.87 -0.01 0.25 -1.72 0.00 0.00 179.24 178.69 3i6a h LEU 41 N 0.91 0.46 -0.92 1.55 5.85 -1.09 -2.70 115.31 119.36 3i6a h LEU 41 Ca 0.21 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3i6a h LEU 41 Cb 0.28 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3i6a h LEU 41 CO -0.01 0.67 0.58 0.44 -0.34 0.00 0.00 178.44 179.78 3i6a h ASP 42 N 0.23 0.92 -0.17 1.25 3.32 -0.11 -1.71 116.42 120.16 3i6a h ASP 42 Ca 0.07 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3i6a h ASP 42 Cb 0.44 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3i6a h ASP 42 CO 0.02 0.59 0.06 0.50 -1.72 0.00 0.00 179.24 178.68 3i6a h LYS 43 N 1.06 0.26 -0.85 3.56 1.63 -1.20 0.40 116.57 121.43 3i6a h LYS 43 Ca 0.40 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.22 3i6a h LYS 43 Cb 0.17 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.69 3i6a h LYS 43 CO -0.17 0.36 0.51 -0.07 -3.45 0.00 0.00 179.45 176.63 3i6a h LEU 44 N 0.11 0.78 -0.16 5.20 3.38 -1.13 -0.46 115.31 123.02 3i6a h LEU 44 Ca 0.06 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3i6a h LEU 44 Cb 0.21 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i6a h LEU 44 CO -0.00 0.48 -0.13 0.03 0.09 0.00 0.00 178.44 178.90 3i6a h ARG 45 N 0.91 0.37 0.00 1.13 3.08 -0.70 -2.14 114.38 117.03 3i6a h ARG 45 Ca 0.38 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 3i6a h ARG 45 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3i6a h ARG 45 CO -0.20 0.73 -0.31 -0.91 -1.07 0.00 0.00 179.97 178.21 3i6a h ASN 46 N 0.02 0.00 0.00 7.04 2.35 -0.03 -1.15 115.58 123.80 3i6a h ASN 46 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3i6a h ASN 46 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3i6a h ASN 46 CO 0.03 0.31 0.00 0.47 -1.65 0.00 0.00 177.43 176.59 3i6a n ASP 47 N -4.03 0.00 -1.02 5.81 8.00 -0.20 -4.92 116.55 120.20 3i6a n ASP 47 Ca -0.02 -0.78 -0.12 0.00 0.71 0.00 0.00 54.79 54.57 3i6a n ASP 47 Cb 0.37 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.42 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 0.57 1.09 0.06 0.44 0.00 -0.44 -4.92 105.19 102.00 3i6a n GLY 48 Ca 0.19 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.86 0.56 -3.97 1.61 4.02 -0.81 -4.76 117.16 110.95 3i6a n TYR 49 Ca -0.13 0.17 -0.31 0.00 -0.01 0.00 0.00 57.90 57.62 3i6a n TYR 49 Cb 0.44 -0.77 -0.15 0.00 -0.02 0.00 0.00 39.34 38.83 3i6a n TYR 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3i6a s LEU 50 N -3.93 3.26 0.18 7.72 1.43 -1.26 -4.91 118.68 121.17 3i6a s LEU 50 Ca 0.12 -1.49 -0.13 0.00 -1.03 0.00 0.00 54.13 51.59 3i6a s LEU 50 Cb 0.15 -1.35 0.15 0.00 0.03 0.00 0.00 46.19 45.16 3i6a s LEU 50 CO 0.56 -0.27 1.75 -0.03 0.23 0.00 0.00 176.35 178.59 3i6a h MET 51 N 7.84 0.33 -0.42 1.70 1.85 -1.85 -0.96 114.93 123.41 3i6a h MET 51 Ca -0.15 -0.02 -0.15 0.00 -0.61 0.00 0.00 59.70 58.77 3i6a h MET 51 Cb 1.05 -0.07 -0.09 0.00 0.43 0.00 0.00 31.60 32.91 3i6a h MET 51 CO 0.45 0.22 0.06 1.19 -0.40 0.00 0.00 176.91 178.43 3i6a n PHE 52 N -5.01 1.38 -1.63 1.39 3.72 -1.26 -4.97 117.46 111.08 3i6a n PHE 52 Ca 0.04 -1.31 -0.19 0.00 -0.05 0.00 0.00 57.45 55.94 3i6a n PHE 52 Cb 0.18 -0.49 -0.08 0.00 -0.94 0.00 0.00 39.48 38.15 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 -0.78 -1.37 -4.28 -1.08 1.13 -0.37 -4.98 117.38 105.65 3i6a n GLN 53 Ca 0.32 1.16 -0.19 0.00 -1.94 0.00 0.00 57.00 56.35 3i6a n GLN 53 Cb 1.09 -5.51 -0.11 0.00 0.11 0.00 0.00 30.24 25.82 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 -3.76 1.14 0.32 -1.09 -0.21 -1.26 -4.97 119.66 109.82 3i6a s GLN 54 Ca 0.00 -1.33 0.08 0.00 0.02 0.00 0.00 55.36 54.13 3i6a s GLN 54 Cb 0.00 -1.08 -0.03 0.00 1.00 0.00 0.00 33.01 32.90 3i6a s GLN 54 CO 0.00 0.21 0.21 0.14 -2.12 0.00 0.00 175.29 173.73 3i6a s VAL 55 N -2.19 3.56 0.75 1.09 -7.23 -1.26 -4.68 120.40 110.44 3i6a s VAL 55 Ca 0.13 -1.50 -0.15 0.00 -1.81 0.00 0.00 61.98 58.64 3i6a s VAL 55 Cb -0.05 -3.14 0.05 0.00 0.56 0.00 0.00 36.38 33.80 3i6a s VAL 55 CO 0.05 -0.22 1.22 -2.84 -0.31 0.00 0.00 175.10 172.99 3i6a s PRO 56 N -3.90 2.00 -0.04 4.82 0.02 -1.26 -5.01 135.00 131.63 3i6a s PRO 56 Ca 0.38 1.80 -0.03 0.00 0.02 0.00 0.00 61.00 63.17 3i6a s PRO 56 Cb -0.05 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.68 3i6a s PRO 56 CO 0.25 -1.95 0.11 1.41 -0.33 0.00 0.00 177.00 176.49 3i6a s MET 57 N -3.93 0.09 -0.11 5.54 1.75 -1.12 -4.02 119.30 117.50 3i6a s MET 57 Ca 0.75 0.23 0.03 0.00 -1.25 0.00 0.00 55.69 55.45 3i6a s MET 57 Cb -0.30 -0.07 0.01 0.00 2.84 0.00 0.00 34.83 37.31 3i6a s MET 57 CO 0.47 -0.09 -0.21 0.08 -0.65 0.00 0.00 175.02 174.62 3i6a s VAL 58 N 0.58 1.87 -0.25 10.11 1.01 0.13 -0.72 120.40 133.13 3i6a s VAL 58 Ca -0.04 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 3i6a s VAL 58 Cb -0.06 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3i6a s VAL 58 CO -0.02 0.52 0.76 -1.61 0.00 0.00 0.00 175.10 174.74 3i6a s GLU 59 N 0.59 4.14 -0.20 2.72 2.02 -0.55 -0.20 118.70 127.22 3i6a s GLU 59 Ca -0.14 0.78 -0.10 0.00 0.02 0.00 0.00 54.97 55.54 3i6a s GLU 59 Cb -0.17 -3.65 0.08 0.00 0.10 0.00 0.00 34.13 30.49 3i6a s GLU 59 CO 0.04 -0.49 0.47 -1.50 0.02 0.00 0.00 175.26 173.80 3i6a s ILE 60 N 2.74 -0.25 -1.40 -1.63 2.07 -0.55 -1.02 121.20 121.15 3i6a s ILE 60 Ca 0.32 0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.63 3i6a s ILE 60 Cb -0.15 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.73 3i6a s ILE 60 CO 0.08 0.04 0.39 0.47 -1.91 0.00 0.00 174.94 174.01 3i6a n ASP 61 N 4.65 -0.53 0.00 4.50 8.00 -1.26 -1.21 116.55 130.70 3i6a n ASP 61 Ca -0.18 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.27 3i6a n ASP 61 Cb 0.54 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 38.77 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 -2.04 0.57 3.54 0.44 0.00 -1.26 -5.02 105.19 101.42 3i6a n GLY 62 Ca -0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.31 1.96 -0.63 1.61 -1.94 -0.35 -5.08 119.30 114.55 3i6a s MET 63 Ca 0.00 -1.12 -0.06 0.00 -1.71 0.00 0.00 55.69 52.79 3i6a s MET 63 Cb 0.00 -2.20 0.16 0.00 2.01 0.00 0.00 34.83 34.80 3i6a s MET 63 CO 0.00 0.49 0.48 0.15 -0.01 0.00 0.00 175.02 176.13 3i6a s LYS 64 N -2.26 2.75 -0.15 2.03 1.02 -1.26 -1.49 119.74 120.38 3i6a s LYS 64 Ca 0.20 -2.36 -0.17 0.00 0.02 0.00 0.00 55.97 53.67 3i6a s LYS 64 Cb -0.11 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 3i6a s LYS 64 CO 0.12 -1.20 0.44 -0.51 -0.92 0.00 0.00 175.35 173.28 3i6a s LEU 65 N 0.28 4.23 0.45 3.17 1.43 0.72 -4.91 118.68 124.05 3i6a s LEU 65 Ca 0.15 0.69 0.07 0.00 -1.03 0.00 0.00 54.13 54.00 3i6a s LEU 65 Cb -0.19 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 3i6a s LEU 65 CO -0.04 -0.02 0.29 0.68 0.23 0.00 0.00 176.35 177.48 3i6a s VAL 66 N 0.85 2.20 0.00 -1.59 -7.23 -1.26 -0.70 120.40 112.68 3i6a s VAL 66 Ca 0.23 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3i6a s VAL 66 Cb -0.15 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.04 3i6a s VAL 66 CO 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.88 3i6a n GLN 67 N -1.46 0.00 -0.31 4.82 1.13 -1.26 -4.47 117.38 115.83 3i6a n GLN 67 Ca -0.01 0.47 0.11 0.00 -1.94 0.00 0.00 57.00 55.63 3i6a n GLN 67 Cb 0.64 -0.44 0.23 0.00 0.11 0.00 0.00 30.24 30.78 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 0.14 0.00 5.09 2.02 -1.89 -1.39 112.91 116.88 3i6a h THR 68 Ca 0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 3i6a h THR 68 Cb 0.00 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 3i6a h THR 68 CO 0.00 0.01 -0.40 0.03 0.37 0.00 0.00 175.52 175.53 3i6a h ARG 69 N 0.05 0.00 0.07 6.66 3.08 -1.97 -0.65 114.38 121.62 3i6a h ARG 69 Ca 0.53 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.32 3i6a h ARG 69 Cb 1.01 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.09 3i6a h ARG 69 CO -0.83 0.40 -1.03 0.00 -1.07 0.00 0.00 179.97 177.44 3i6a h ALA 70 N 1.60 0.03 0.40 0.04 0.00 -1.54 -0.42 119.26 119.37 3i6a h ALA 70 Ca -0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 3i6a h ALA 70 Cb 0.79 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3i6a h ALA 70 CO 0.05 0.59 -0.20 0.82 0.00 0.00 0.00 179.25 180.51 3i6a h ILE 71 N 0.17 0.59 -0.37 0.00 2.04 -1.03 -2.41 117.51 116.50 3i6a h ILE 71 Ca -0.15 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 3i6a h ILE 71 Cb 1.72 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 3i6a h ILE 71 CO 0.20 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 178.18 3i6a h LEU 72 N -0.55 0.62 -0.47 1.44 3.38 -1.16 -2.18 115.31 116.39 3i6a h LEU 72 Ca -0.05 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3i6a h LEU 72 Cb 0.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3i6a h LEU 72 CO 0.08 0.76 -0.07 0.78 0.09 0.00 0.00 178.44 180.08 3i6a h ASN 73 N 0.58 0.87 -0.49 -0.43 2.35 -1.02 -0.95 115.58 116.50 3i6a h ASN 73 Ca 0.11 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 3i6a h ASN 73 Cb 0.52 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3i6a h ASN 73 CO 0.03 1.01 0.21 0.22 -1.65 0.00 0.00 177.43 177.25 3i6a h TYR 74 N 0.72 0.72 -0.33 1.19 3.20 -1.24 -1.19 116.97 120.03 3i6a h TYR 74 Ca 0.12 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3i6a h TYR 74 Cb 0.60 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3i6a h TYR 74 CO 0.05 0.59 0.21 0.82 -1.64 0.00 0.00 178.16 178.19 3i6a h ILE 75 N 0.65 1.07 -0.35 1.81 2.04 -1.30 0.17 117.51 121.60 3i6a h ILE 75 Ca 0.17 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 3i6a h ILE 75 Cb 0.16 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3i6a h ILE 75 CO -0.02 0.08 -0.07 0.00 0.00 0.00 0.00 178.15 178.14 3i6a h ALA 76 N 1.13 0.49 -0.24 1.87 0.00 -0.96 -1.94 119.26 119.60 3i6a h ALA 76 Ca 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3i6a h ALA 76 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i6a h ALA 76 CO -0.03 0.32 0.04 1.03 0.00 0.00 0.00 179.25 180.61 3i6a h SER 77 N 0.47 0.38 -0.08 0.00 0.87 -1.07 0.29 113.55 114.40 3i6a h SER 77 Ca 0.09 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3i6a h SER 77 Cb 0.57 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3i6a h SER 77 CO 0.03 0.54 0.04 0.50 -0.53 0.00 0.00 176.83 177.41 3i6a h LYS 78 N 0.21 0.13 -0.30 2.24 3.64 -0.64 -2.68 116.57 119.18 3i6a h LYS 78 Ca 0.07 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3i6a h LYS 78 Cb 0.32 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3i6a h LYS 78 CO 0.00 0.11 0.00 0.66 -2.27 0.00 0.00 179.45 177.96 3i6a n TYR 79 N -4.50 1.03 -3.81 1.91 4.01 -0.76 -4.96 117.16 110.08 3i6a n TYR 79 Ca -0.01 -1.04 -0.28 0.00 -0.16 0.00 0.00 57.90 56.41 3i6a n TYR 79 Cb 0.10 -0.36 0.04 0.00 -0.31 0.00 0.00 39.34 38.81 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 -0.65 -5.12 -0.91 7.72 3.02 -0.85 -4.89 115.26 113.59 3i6a n ASN 80 Ca 0.25 -0.71 0.09 0.00 -0.03 0.00 0.00 54.58 54.17 3i6a n ASN 80 Cb 0.94 -4.23 0.26 0.00 -0.61 0.00 0.00 39.78 36.14 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 3.91 -0.60 3.41 4.77 0.95 -4.53 117.00 120.14 3i6a n LEU 81 Ca 0.02 -3.01 0.06 0.00 -0.03 0.00 0.00 56.01 53.04 3i6a n LEU 81 Cb 0.54 -0.54 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 3i6a n LEU 81 CO 0.72 0.67 0.57 0.00 -1.33 0.00 0.00 177.39 178.03 3i6a n TYR 82 N -0.49 0.43 -0.07 -1.77 4.19 -1.20 -1.31 117.16 116.93 3i6a n TYR 82 Ca 0.21 -1.23 0.01 0.00 3.31 0.00 0.00 57.90 60.20 3i6a n TYR 82 Cb 0.89 -0.28 -0.00 0.00 0.49 0.00 0.00 39.34 40.44 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 -1.11 -1.48 0.59 2.98 0.00 -1.26 -4.36 105.19 100.55 3i6a n GLY 83 Ca 0.22 -1.51 0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.54 1.16 -3.83 1.61 2.85 -1.26 -4.95 118.16 112.20 3i6a n LYS 84 Ca -0.00 -1.35 -0.06 0.00 -1.05 0.00 0.00 58.31 55.84 3i6a n LYS 84 Cb 0.03 -1.29 -0.01 0.00 -0.65 0.00 0.00 35.03 33.12 3i6a n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3i6a s ASP 85 N -1.30 -0.18 0.31 -5.58 1.47 -1.26 -5.04 116.67 105.08 3i6a s ASP 85 Ca 0.17 -0.67 -0.01 0.00 1.18 0.00 0.00 52.55 53.22 3i6a s ASP 85 Cb 0.13 0.69 0.48 0.00 -0.34 0.00 0.00 42.92 43.87 3i6a s ASP 85 CO 0.20 -1.30 1.96 -0.29 0.68 0.00 0.00 175.17 176.43 3i6a h ILE 86 N 2.00 1.20 -0.36 2.11 2.10 -1.96 0.03 117.51 122.64 3i6a h ILE 86 Ca -0.23 -0.42 -0.14 0.00 1.08 0.00 0.00 64.86 65.16 3i6a h ILE 86 Cb 1.24 0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.09 3i6a h ILE 86 CO 0.27 0.21 -0.31 0.11 -1.08 0.00 0.00 178.15 177.35 3i6a h LYS 87 N 1.03 0.84 -0.75 2.19 1.57 -2.00 -1.04 116.57 118.41 3i6a h LYS 87 Ca 0.27 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 3i6a h LYS 87 Cb -0.07 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3i6a h LYS 87 CO -0.05 1.07 0.24 0.93 -0.57 0.00 0.00 179.45 181.06 3i6a h GLU 88 N 0.63 1.17 -0.45 3.15 5.08 -1.80 -2.32 114.58 120.03 3i6a h GLU 88 Ca 0.06 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3i6a h GLU 88 Cb 0.89 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3i6a h GLU 88 CO 0.08 0.99 0.19 0.00 -1.00 0.00 0.00 179.01 179.27 3i6a h ARG 89 N 1.12 0.64 -0.61 2.33 3.08 -0.91 -0.31 114.38 119.73 3i6a h ARG 89 Ca 0.24 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3i6a h ARG 89 Cb 0.31 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3i6a h ARG 89 CO -0.01 0.52 0.31 0.00 -1.07 0.00 0.00 179.97 179.73 3i6a h ALA 90 N 1.57 0.78 -0.47 0.04 0.00 -0.66 0.12 119.26 120.63 3i6a h ALA 90 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i6a h ALA 90 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3i6a h ALA 90 CO -0.02 0.32 0.27 -0.07 0.00 0.00 0.00 179.25 179.75 3i6a h LEU 91 N 0.83 0.59 -0.28 0.00 3.38 -1.05 -1.50 115.31 117.28 3i6a h LEU 91 Ca 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3i6a h LEU 91 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3i6a h LEU 91 CO -0.03 0.50 0.11 0.40 0.09 0.00 0.00 178.44 179.52 3i6a h ILE 92 N 0.63 1.18 -0.60 1.22 2.04 -0.91 -1.20 117.51 119.87 3i6a h ILE 92 Ca 0.17 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3i6a h ILE 92 Cb 0.04 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3i6a h ILE 92 CO -0.03 0.18 0.35 0.44 0.00 0.00 0.00 178.15 179.10 3i6a h ASP 93 N 0.31 0.72 -0.58 1.72 3.32 -0.71 -0.63 116.42 120.57 3i6a h ASP 93 Ca 0.09 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3i6a h ASP 93 Cb 0.18 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3i6a h ASP 93 CO -0.01 0.57 0.34 -0.03 -1.72 0.00 0.00 179.24 178.39 3i6a h MET 94 N 0.81 0.80 -0.19 3.56 4.05 -1.19 -1.66 114.93 121.09 3i6a h MET 94 Ca 0.21 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 3i6a h MET 94 Cb -0.01 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 3i6a h MET 94 CO -0.04 0.59 -0.02 1.88 0.23 0.00 0.00 176.91 179.55 3i6a h TYR 95 N 0.78 0.40 0.00 1.39 0.05 -0.96 -2.89 116.97 115.74 3i6a h TYR 95 Ca 0.21 -0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.84 3i6a h TYR 95 Cb 0.01 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 3i6a h TYR 95 CO -0.02 0.59 -0.34 -0.84 -1.05 0.00 0.00 178.16 176.50 3i6a h ILE 96 N 0.09 0.67 -0.03 -2.88 3.07 -1.07 -2.07 117.51 115.29 3i6a h ILE 96 Ca 0.05 -1.63 -0.15 0.00 1.55 0.00 0.00 64.86 64.68 3i6a h ILE 96 Cb 0.45 2.09 -0.01 0.00 -0.27 0.00 0.00 36.82 39.07 3i6a h ILE 96 CO 0.01 0.33 -0.67 -0.33 -1.05 0.00 0.00 178.15 176.44 3i6a h GLU 97 N 0.00 0.14 -0.49 0.16 4.39 -1.31 0.41 114.58 117.89 3i6a h GLU 97 Ca -0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3i6a h GLU 97 Cb 1.07 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 3i6a h GLU 97 CO 0.04 0.76 0.31 0.78 -1.16 0.00 0.00 179.01 179.75 3i6a h GLY 98 N 1.72 0.69 0.94 -3.84 0.00 -1.25 0.39 103.07 101.72 3i6a h GLY 98 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3i6a h GLY 98 CO 0.10 0.27 0.11 -2.22 0.00 0.00 0.00 176.54 174.79 3i6a h ILE 99 N 0.65 1.22 -0.79 2.60 2.04 -0.83 -2.11 117.51 120.30 3i6a h ILE 99 Ca 0.18 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 65.34 3i6a h ILE 99 Cb -0.05 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 3i6a h ILE 99 CO -0.04 0.27 0.47 0.00 0.00 0.00 0.00 178.15 178.84 3i6a h ALA 100 N 0.96 1.08 0.02 1.87 0.00 -0.06 0.28 119.26 123.41 3i6a h ALA 100 Ca 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i6a h ALA 100 Cb 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i6a h ALA 100 CO -0.00 0.16 -0.01 -0.44 0.00 0.00 0.00 179.25 178.96 3i6a h ASP 101 N 0.84 -0.03 -0.38 0.00 3.32 -0.59 -1.45 116.42 118.13 3i6a h ASP 101 Ca 0.35 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 3i6a h ASP 101 Cb 0.21 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3i6a h ASP 101 CO -0.19 0.03 0.23 0.25 -1.72 0.00 0.00 179.24 177.85 3i6a h LEU 102 N -0.09 0.45 -1.78 1.55 5.85 -1.05 -2.82 115.31 117.42 3i6a h LEU 102 Ca -0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3i6a h LEU 102 Cb 0.08 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3i6a h LEU 102 CO 0.01 0.36 0.03 1.23 -0.34 0.00 0.00 178.44 179.73 3i6a h GLY 103 N 0.50 0.18 1.81 3.75 0.00 -0.38 -2.20 103.07 106.73 3i6a h GLY 103 Ca 0.14 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 3i6a h GLY 103 CO -0.03 0.07 -0.60 -2.09 0.00 0.00 0.00 176.54 173.89 3i6a h GLU 104 N 0.17 0.19 -0.38 4.80 4.57 -1.00 -1.00 114.58 121.92 3i6a h GLU 104 Ca 0.04 -0.13 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 3i6a h GLU 104 Cb 0.06 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3i6a h GLU 104 CO -0.00 0.74 -0.06 0.52 -1.18 0.00 0.00 179.01 179.03 3i6a h MET 105 N 0.14 0.64 -0.06 1.92 2.86 -1.31 -2.69 114.93 116.43 3i6a h MET 105 Ca -0.01 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.35 3i6a h MET 105 Cb 1.10 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.69 3i6a h MET 105 CO 0.09 0.70 -0.38 0.82 1.06 0.00 0.00 176.91 179.20 3i6a h ILE 106 N 0.59 1.42 0.00 -1.22 2.04 -1.30 -2.41 117.51 116.64 3i6a h ILE 106 Ca 0.11 -1.80 -0.04 0.00 1.00 0.00 0.00 64.86 64.14 3i6a h ILE 106 Cb 0.46 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 3i6a h ILE 106 CO 0.02 0.52 -0.17 0.40 0.00 0.00 0.00 178.15 178.92 3i6a h ILE 107 N -0.12 0.83 0.00 -0.67 2.04 -1.22 -2.65 117.51 115.72 3i6a h ILE 107 Ca -0.03 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 3i6a h ILE 107 Cb 1.04 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3i6a h ILE 107 CO 0.08 0.17 -1.00 0.24 0.00 0.00 0.00 178.15 177.64 3i6a h MET 108 N 0.00 0.00 -0.68 2.37 2.86 -1.49 -3.40 114.93 114.58 3i6a h MET 108 Ca -0.00 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 3i6a h MET 108 Cb 0.38 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.94 3i6a h MET 108 CO 0.02 0.22 0.21 1.25 1.06 0.00 0.00 176.91 179.67 3i6a h LEU 109 N 0.00 0.13 0.00 1.22 5.85 -1.05 -0.32 115.31 121.14 3i6a h LEU 109 Ca -0.07 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3i6a h LEU 109 Cb 1.32 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.48 3i6a h LEU 109 CO 0.03 0.05 0.00 -2.65 -0.34 0.00 0.00 178.44 175.53 3i6a n PRO 110 N -5.07 0.07 -0.15 5.25 -0.02 -1.26 -2.59 135.00 131.22 3i6a n PRO 110 Ca 0.12 0.26 0.07 0.00 -2.02 0.00 0.00 63.50 61.93 3i6a n PRO 110 Cb 0.38 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.51 3i6a n PRO 110 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i6a n PHE 111 N -1.40 0.40 -2.52 6.00 3.01 -0.14 -5.01 117.46 117.81 3i6a n PHE 111 Ca 0.04 -0.33 -0.29 0.00 1.01 0.00 0.00 57.45 57.87 3i6a n PHE 111 Cb 0.10 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.55 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 -4.64 3.65 0.36 0.00 0.02 -1.26 -4.91 135.00 128.23 3i6a s PRO 113 Ca 0.50 2.09 0.11 0.00 0.02 0.00 0.00 61.00 63.72 3i6a s PRO 113 Cb -0.10 -2.51 0.88 0.00 0.02 0.00 0.00 34.50 32.79 3i6a s PRO 113 CO 0.44 -0.73 1.83 -1.35 -0.33 0.00 0.00 177.00 176.85 3i6a h PRO 114 N 2.13 0.60 -0.53 5.54 0.11 -1.97 -2.53 132.00 135.36 3i6a h PRO 114 Ca -0.50 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 3i6a h PRO 114 Cb 1.26 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3i6a h PRO 114 CO 0.60 0.40 0.04 1.49 -0.21 0.00 0.00 178.00 180.32 3i6a h GLU 115 N 0.62 0.87 -0.24 1.05 4.22 -2.04 -2.42 114.58 116.64 3i6a h GLU 115 Ca 0.51 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 59.72 3i6a h GLU 115 Cb 0.96 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3i6a h GLU 115 CO -0.26 0.85 0.00 0.39 -2.18 0.00 0.00 179.01 177.80 3i6a n GLU 116 N -4.22 1.63 -0.02 1.92 1.02 -0.96 -4.41 120.64 115.60 3i6a n GLU 116 Ca 0.03 -0.97 -0.16 0.00 -0.02 0.00 0.00 57.16 56.04 3i6a n GLU 116 Cb 0.29 -1.26 -0.12 0.00 -0.02 0.00 0.00 31.44 30.33 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 1.66 0.17 -0.24 3.49 1.57 -1.39 -2.87 116.57 118.97 3i6a h LYS 117 Ca 0.00 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3i6a h LYS 117 Cb 0.38 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 3i6a h LYS 117 CO 0.00 0.98 -0.27 -0.44 -0.57 0.00 0.00 179.45 179.15 3i6a h ASP 118 N -0.55 -0.87 -0.27 0.86 3.32 -1.77 -0.31 116.42 116.84 3i6a h ASP 118 Ca -0.04 0.15 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 3i6a h ASP 118 Cb 1.10 0.40 -0.00 0.00 0.22 0.00 0.00 39.33 41.04 3i6a h ASP 118 CO 0.06 -0.30 -0.49 0.00 -1.72 0.00 0.00 179.24 176.79 3i6a h ALA 119 N 0.71 0.55 -0.71 3.45 0.00 -1.85 -0.78 119.26 120.63 3i6a h ALA 119 Ca 0.13 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3i6a h ALA 119 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3i6a h ALA 119 CO -0.40 0.68 0.28 -0.22 0.00 0.00 0.00 179.25 179.59 3i6a h LYS 120 N 0.66 1.07 -0.08 0.00 3.64 -1.40 -1.38 116.57 119.09 3i6a h LYS 120 Ca 0.03 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 3i6a h LYS 120 Cb 1.08 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3i6a h LYS 120 CO 0.11 0.89 0.01 1.25 -2.27 0.00 0.00 179.45 179.44 3i6a h LEU 121 N 1.02 0.12 -1.38 5.20 5.85 -0.81 -0.44 115.31 124.87 3i6a h LEU 121 Ca 0.24 -0.25 0.11 0.00 0.84 0.00 0.00 57.88 58.81 3i6a h LEU 121 Cb 0.23 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3i6a h LEU 121 CO -0.02 0.34 0.52 0.00 -0.34 0.00 0.00 178.44 178.94 3i6a h ALA 122 N 0.78 1.83 -0.17 1.25 0.00 -1.04 -0.66 119.26 121.24 3i6a h ALA 122 Ca 0.02 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3i6a h ALA 122 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i6a h ALA 122 CO 0.00 -0.00 -0.33 1.25 0.00 0.00 0.00 179.25 180.17 3i6a h LEU 123 N 0.67 0.59 -0.37 0.00 5.85 -0.79 0.06 115.31 121.32 3i6a h LEU 123 Ca 0.37 -0.55 0.07 0.00 0.84 0.00 0.00 57.88 58.61 3i6a h LEU 123 Cb 0.54 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3i6a h LEU 123 CO -0.14 1.03 -0.01 0.40 -0.34 0.00 0.00 178.44 179.37 3i6a h ILE 124 N 0.17 0.71 -0.68 4.05 2.04 -0.59 -0.76 117.51 122.45 3i6a h ILE 124 Ca 0.01 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3i6a h ILE 124 Cb 0.92 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3i6a h ILE 124 CO 0.07 0.02 0.36 0.11 0.00 0.00 0.00 178.15 178.71 3i6a h LYS 125 N 0.09 0.96 -0.77 2.37 1.57 -1.04 0.18 116.57 119.93 3i6a h LYS 125 Ca 0.18 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3i6a h LYS 125 Cb 0.26 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 3i6a h LYS 125 CO -0.32 0.74 0.48 1.49 -0.57 0.00 0.00 179.45 181.27 3i6a h GLU 126 N 0.94 0.91 -0.27 3.15 4.22 -0.63 -2.08 114.58 120.81 3i6a h GLU 126 Ca 0.24 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.51 3i6a h GLU 126 Cb 0.07 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3i6a h GLU 126 CO -0.04 0.60 -0.26 0.87 -2.18 0.00 0.00 179.01 178.00 3i6a h LYS 127 N 0.93 0.65 -0.41 1.92 1.57 -0.24 -2.12 116.57 118.87 3i6a h LYS 127 Ca 0.31 -0.34 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3i6a h LYS 127 Cb 0.04 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 3i6a h LYS 127 CO -0.12 0.95 0.05 0.82 -0.57 0.00 0.00 179.45 180.58 3i6a h ILE 128 N 0.38 0.75 -0.12 1.86 2.04 -0.51 0.74 117.51 122.65 3i6a h ILE 128 Ca 0.04 -0.06 -0.19 0.00 1.00 0.00 0.00 64.86 65.65 3i6a h ILE 128 Cb 0.82 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3i6a h ILE 128 CO 0.07 0.03 -0.71 0.50 0.00 0.00 0.00 178.15 178.03 3i6a h LYS 129 N 0.17 0.56 0.00 2.37 3.64 -1.36 -1.06 116.57 120.89 3i6a h LYS 129 Ca 0.20 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3i6a h LYS 129 Cb 0.27 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3i6a h LYS 129 CO -0.29 1.06 -1.07 0.09 -2.27 0.00 0.00 179.45 176.97 3i6a n ASN 130 N -3.89 2.39 -0.01 4.20 5.03 -0.80 -4.36 115.26 117.82 3i6a n ASN 130 Ca -0.05 -0.19 -0.02 0.00 0.87 0.00 0.00 54.58 55.18 3i6a n ASN 130 Cb 0.70 1.26 -0.01 0.00 -1.02 0.00 0.00 39.78 40.71 3i6a n ASN 130 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3i6a n ARG 131 N -1.60 0.15 -0.06 3.52 0.63 0.15 -4.79 116.66 114.64 3i6a n ARG 131 Ca -0.01 0.06 -0.10 0.00 -0.92 0.00 0.00 57.85 56.88 3i6a n ARG 131 Cb 0.18 -0.66 -0.09 0.00 0.45 0.00 0.00 32.46 32.34 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 -0.28 0.00 -0.56 -0.14 0.05 -1.36 -2.82 116.97 111.86 3i6a h TYR 132 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3i6a h TYR 132 Cb 0.28 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 3i6a h TYR 132 CO -0.12 0.71 0.32 0.74 -1.05 0.00 0.00 178.16 178.75 3i6a h PHE 133 N -1.00 0.76 -0.31 4.88 -1.00 -1.42 0.03 116.94 118.87 3i6a h PHE 133 Ca -0.01 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.78 3i6a h PHE 133 Cb 0.71 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 3i6a h PHE 133 CO 0.19 0.54 0.21 -1.35 -1.61 0.00 0.00 178.31 176.29 3i6a h PRO 134 N 0.75 0.34 -0.22 1.51 0.11 -1.75 -1.22 132.00 131.51 3i6a h PRO 134 Ca 0.20 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3i6a h PRO 134 Cb 0.03 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3i6a h PRO 134 CO -0.03 0.22 0.10 0.00 -0.21 0.00 0.00 178.00 178.08 3i6a h ALA 135 N 1.82 0.29 -0.04 -0.75 0.00 -0.76 -2.40 119.26 117.40 3i6a h ALA 135 Ca 0.12 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 3i6a h ALA 135 Cb 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.79 3i6a h ALA 135 CO -0.03 -0.14 -0.96 0.74 0.00 0.00 0.00 179.25 178.87 3i6a h PHE 136 N 0.22 1.00 -0.92 0.00 0.04 -0.94 -2.77 116.94 113.57 3i6a h PHE 136 Ca 0.08 -0.51 0.07 0.00 2.80 0.00 0.00 57.97 60.40 3i6a h PHE 136 Cb 0.14 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 3i6a h PHE 136 CO -0.02 1.35 0.58 1.49 -0.60 0.00 0.00 178.31 181.11 3i6a h GLU 137 N 0.42 1.01 -0.38 1.51 4.57 -1.26 -2.36 114.58 118.09 3i6a h GLU 137 Ca -0.10 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 57.95 3i6a h GLU 137 Cb 1.60 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.94 3i6a h GLU 137 CO 0.19 0.67 -0.05 -0.22 -1.18 0.00 0.00 179.01 178.42 3i6a h LYS 138 N 1.04 0.62 0.20 1.92 3.64 -1.34 0.10 116.57 122.75 3i6a h LYS 138 Ca 0.41 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3i6a h LYS 138 Cb 0.20 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3i6a h LYS 138 CO -0.18 0.68 -0.10 0.28 -2.27 0.00 0.00 179.45 177.86 3i6a h VAL 139 N 0.58 0.81 -0.57 2.00 2.07 -1.15 -1.23 116.25 118.77 3i6a h VAL 139 Ca 0.11 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 3i6a h VAL 139 Cb 0.45 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3i6a h VAL 139 CO 0.02 0.01 0.18 -0.07 0.02 0.00 0.00 177.57 177.72 3i6a h LEU 140 N -0.28 0.84 -1.62 2.57 3.38 -1.13 -2.01 115.31 117.06 3i6a h LEU 140 Ca -0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3i6a h LEU 140 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3i6a h LEU 140 CO 0.04 0.83 0.07 0.50 0.09 0.00 0.00 178.44 179.97 3i6a h LYS 141 N 0.81 0.32 -0.54 1.13 3.64 -0.75 -0.46 116.57 120.73 3i6a h LYS 141 Ca 0.18 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 3i6a h LYS 141 Cb 0.29 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3i6a h LYS 141 CO -0.01 0.29 -0.12 0.66 -2.27 0.00 0.00 179.45 178.00 3i6a h SER 142 N 0.32 1.03 0.00 4.20 4.64 -0.44 -3.23 113.55 120.07 3i6a h SER 142 Ca 0.08 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3i6a h SER 142 Cb 0.10 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3i6a h SER 142 CO -0.01 1.14 -1.02 0.00 -0.87 0.00 0.00 176.83 176.08 3i6a n HIS 143 N -4.14 0.00 -0.76 4.77 1.44 -1.20 -4.99 115.22 110.35 3i6a n HIS 143 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 3i6a n HIS 143 Cb 0.41 -0.10 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 0.34 3.91 -1.39 0.00 -0.18 -4.99 105.19 104.31 3i6a n GLY 144 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.74 2.36 0.38 1.61 -0.21 -1.25 -5.01 119.66 116.79 3i6a s GLN 145 Ca 0.00 0.01 0.20 0.00 0.02 0.00 0.00 55.36 55.59 3i6a s GLN 145 Cb 0.00 -2.10 0.27 0.00 1.00 0.00 0.00 33.01 32.18 3i6a s GLN 145 CO 0.00 -1.22 1.56 -0.44 -2.12 0.00 0.00 175.29 173.07 3i6a h ASP 146 N -0.67 0.00 -2.88 5.90 3.32 -1.93 -3.46 116.42 116.69 3i6a h ASP 146 Ca -0.45 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.04 3i6a h ASP 146 Cb 1.30 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.70 3i6a h ASP 146 CO 0.63 0.19 -0.77 -0.31 -1.72 0.00 0.00 179.24 177.26 3i6a s TYR 147 N -3.13 2.04 0.26 4.55 2.02 -1.26 -4.93 117.35 116.90 3i6a s TYR 147 Ca 0.06 -0.43 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 3i6a s TYR 147 Cb 0.06 -0.94 0.33 0.00 -0.40 0.00 0.00 41.96 41.01 3i6a s TYR 147 CO 0.69 0.51 1.75 -0.07 -1.57 0.00 0.00 175.55 176.87 3i6a h LEU 148 N 2.67 0.76 -7.45 -1.29 3.38 -1.89 -3.41 115.31 108.09 3i6a h LEU 148 Ca -0.41 -0.19 -0.25 0.00 0.09 0.00 0.00 57.88 57.13 3i6a h LEU 148 Cb 1.23 -0.20 -0.32 0.00 0.09 0.00 0.00 40.66 41.46 3i6a h LEU 148 CO 0.57 0.84 -0.61 -0.69 0.09 0.00 0.00 178.44 178.64 3i6a s VAL 149 N -4.96 -0.05 -0.39 1.22 1.01 -1.26 -4.88 120.40 111.09 3i6a s VAL 149 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3i6a s VAL 149 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.30 3i6a s VAL 149 CO 0.81 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.59 3i6a n GLY 150 N 4.15 0.63 2.22 4.51 0.00 -1.26 -3.33 105.19 112.11 3i6a n GLY 150 Ca -0.26 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 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 0.18 -3.36 -3.97 1.61 5.15 -1.26 -4.95 115.26 108.65 3i6a n ASN 151 Ca -0.04 0.24 -0.08 0.00 -0.60 0.00 0.00 54.58 54.10 3i6a n ASN 151 Cb 0.22 -2.99 -0.09 0.00 -0.53 0.00 0.00 39.78 36.38 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 -4.23 0.65 0.00 1.20 -2.85 -1.21 -4.84 119.74 108.46 3i6a s LYS 152 Ca 0.00 -0.98 -0.37 0.00 -1.00 0.00 0.00 55.97 53.62 3i6a s LYS 152 Cb 0.00 0.25 -0.16 0.00 -2.06 0.00 0.00 37.83 35.85 3i6a s LYS 152 CO 0.00 -0.16 1.44 -0.11 0.10 0.00 0.00 175.35 176.62 3i6a n LEU 153 N 0.34 1.83 -4.29 2.77 7.94 -1.26 -4.60 117.00 119.72 3i6a n LEU 153 Ca -0.16 1.11 -0.16 0.00 -1.11 0.00 0.00 56.01 55.69 3i6a n LEU 153 Cb 0.60 -1.18 -0.10 0.00 0.53 0.00 0.00 43.42 43.27 3i6a n LEU 153 CO 0.25 -0.90 -0.27 -0.94 -1.11 0.00 0.00 177.39 174.41 3i6a s SER 154 N 1.20 1.18 0.56 1.96 1.04 -1.26 -4.81 113.70 113.57 3i6a s SER 154 Ca 0.88 -1.33 0.28 0.00 0.48 0.00 0.00 55.95 56.26 3i6a s SER 154 Cb -0.98 0.15 1.48 0.00 0.10 0.00 0.00 66.02 66.77 3i6a s SER 154 CO 0.51 -0.69 1.96 0.08 0.98 0.00 0.00 173.24 176.08 3i6a h ARG 155 N 2.47 0.00 -0.91 4.02 0.11 -1.59 -0.26 114.38 118.23 3i6a h ARG 155 Ca -0.38 0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.71 3i6a h ARG 155 Cb 1.24 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.27 3i6a h ARG 155 CO 0.61 0.00 0.59 0.00 0.10 0.00 0.00 179.97 181.27 3i6a h ALA 156 N 1.60 1.33 -0.26 0.08 0.00 -1.90 0.29 119.26 120.41 3i6a h ALA 156 Ca 0.24 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 3i6a h ALA 156 Cb 1.11 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i6a h ALA 156 CO -0.00 0.61 -0.55 -0.44 0.00 0.00 0.00 179.25 178.88 3i6a h ASP 157 N 1.24 0.86 -0.10 0.00 3.32 -1.45 -2.07 116.42 118.22 3i6a h ASP 157 Ca 0.33 -0.46 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 3i6a h ASP 157 Cb -0.12 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.18 3i6a h ASP 157 CO -0.07 1.23 -0.21 0.40 -1.72 0.00 0.00 179.24 178.87 3i6a h ILE 158 N 0.59 1.39 -0.68 0.35 1.08 -1.18 -1.55 117.51 117.51 3i6a h ILE 158 Ca 0.01 -1.50 -0.02 0.00 -0.39 0.00 0.00 64.86 62.96 3i6a h ILE 158 Cb 1.13 2.13 -0.03 0.00 -3.07 0.00 0.00 36.82 36.98 3i6a h ILE 158 CO 0.12 0.43 0.34 0.45 -0.69 0.00 0.00 178.15 178.79 3i6a h HIS 159 N -0.13 0.95 0.39 1.37 3.86 -0.49 -0.74 115.15 120.35 3i6a h HIS 159 Ca 0.00 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3i6a h HIS 159 Cb 0.80 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3i6a h HIS 159 CO 0.11 0.69 -0.19 1.25 0.86 0.00 0.00 177.93 180.65 3i6a h LEU 160 N 0.96 -0.44 -0.60 2.43 5.85 -1.31 -2.08 115.31 120.12 3i6a h LEU 160 Ca 0.24 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3i6a h LEU 160 Cb 0.08 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3i6a h LEU 160 CO -0.03 -0.09 0.35 0.58 -0.34 0.00 0.00 178.44 178.91 3i6a h VAL 161 N -0.83 1.01 -0.31 1.05 2.07 -1.15 0.18 116.25 118.27 3i6a h VAL 161 Ca -0.05 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.31 3i6a h VAL 161 Cb 0.54 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 3i6a h VAL 161 CO 0.09 0.12 -0.32 -0.08 0.02 0.00 0.00 177.57 177.39 3i6a h GLU 162 N 0.66 -0.29 -0.90 1.57 4.81 -1.12 -0.61 114.58 118.71 3i6a h GLU 162 Ca 0.26 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.57 3i6a h GLU 162 Cb 0.10 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 3i6a h GLU 162 CO -0.14 -0.19 0.56 1.25 -0.73 0.00 0.00 179.01 179.76 3i6a h LEU 163 N -0.30 0.88 -1.14 1.64 5.85 -0.25 -2.00 115.31 120.00 3i6a h LEU 163 Ca 0.15 0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.02 3i6a h LEU 163 Cb 0.54 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 3i6a h LEU 163 CO -0.48 0.56 0.61 -0.07 -0.34 0.00 0.00 178.44 178.71 3i6a h LEU 164 N 1.01 0.79 -0.97 2.25 3.38 0.80 0.19 115.31 122.75 3i6a h LEU 164 Ca 0.40 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 3i6a h LEU 164 Cb 0.19 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3i6a h LEU 164 CO -0.18 0.39 0.16 1.88 0.09 0.00 0.00 178.44 180.78 3i6a h TYR 165 N 0.83 0.93 -0.25 1.13 0.05 -0.62 0.24 116.97 119.27 3i6a h TYR 165 Ca 0.49 -0.09 -0.18 0.00 0.05 0.00 0.00 58.73 59.00 3i6a h TYR 165 Cb 0.65 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.11 3i6a h TYR 165 CO -0.00 0.76 -0.55 1.88 -1.05 0.00 0.00 178.16 179.21 3i6a h TYR 166 N 0.87 0.96 -0.71 4.88 0.05 -0.94 -1.97 116.97 120.10 3i6a h TYR 166 Ca 0.19 -0.34 -0.05 0.00 0.05 0.00 0.00 58.73 58.58 3i6a h TYR 166 Cb 0.29 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 3i6a h TYR 166 CO 0.02 1.14 0.23 0.28 -1.05 0.00 0.00 178.16 178.78 3i6a h VAL 167 N 0.59 1.26 -0.45 -2.88 2.07 -0.32 -1.11 116.25 115.40 3i6a h VAL 167 Ca 0.01 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.71 3i6a h VAL 167 Cb 1.13 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3i6a h VAL 167 CO 0.12 0.34 0.20 -0.08 0.02 0.00 0.00 177.57 178.17 3i6a h GLU 168 N 1.04 0.40 -0.80 1.57 4.81 -0.35 -0.52 114.58 120.72 3i6a h GLU 168 Ca 0.23 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3i6a h GLU 168 Cb 0.29 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 3i6a h GLU 168 CO -0.01 0.26 0.52 0.93 -0.73 0.00 0.00 179.01 179.99 3i6a h GLU 169 N 0.41 1.02 0.11 1.92 5.08 -0.87 -2.52 114.58 119.74 3i6a h GLU 169 Ca 0.20 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3i6a h GLU 169 Cb 0.14 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3i6a h GLU 169 CO -0.17 0.68 -0.05 1.25 -1.00 0.00 0.00 179.01 179.72 3i6a h LEU 170 N 1.05 -0.12 -6.63 1.33 6.46 -0.67 -3.44 115.31 113.28 3i6a h LEU 170 Ca 0.31 -0.26 0.09 0.00 -0.12 0.00 0.00 57.88 57.90 3i6a h LEU 170 Cb -0.07 0.03 -0.21 0.00 -0.73 0.00 0.00 40.66 39.69 3i6a h LEU 170 CO -0.09 0.20 -0.15 -0.62 -0.62 0.00 0.00 178.44 177.16 3i6a s ASP 171 N -5.35 -1.18 0.24 1.25 -1.08 -0.25 -5.05 116.67 105.25 3i6a s ASP 171 Ca -0.15 1.29 0.24 0.00 -0.52 0.00 0.00 52.55 53.40 3i6a s ASP 171 Cb 0.03 2.21 0.95 0.00 -1.46 0.00 0.00 42.92 44.65 3i6a s ASP 171 CO 0.63 -0.22 1.71 -1.54 0.52 0.00 0.00 175.17 176.27 3i6a n SER 172 N 5.42 0.66 0.20 -0.34 3.41 -0.96 -2.79 113.62 119.22 3i6a n SER 172 Ca -0.08 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3i6a n SER 172 Cb 0.50 -0.79 0.18 0.00 -0.26 0.00 0.00 64.21 63.84 3i6a n SER 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3i6a h SER 173 N 0.00 0.00 -0.64 4.04 4.64 -1.91 -3.37 113.55 116.31 3i6a h SER 173 Ca 0.00 -0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3i6a h SER 173 Cb 0.40 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.45 3i6a h SER 173 CO 0.00 0.00 0.42 -0.07 -0.87 0.00 0.00 176.83 176.31 3i6a h LEU 174 N 0.00 0.50 -0.06 5.97 3.38 -1.86 -1.04 115.31 122.20 3i6a h LEU 174 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i6a h LEU 174 Cb 0.97 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3i6a h LEU 174 CO 0.00 0.31 -0.19 0.00 0.09 0.00 0.00 178.44 178.65 3i6a n ILE 175 N -4.48 0.00 0.01 1.22 3.06 -1.26 -4.45 119.36 113.46 3i6a n ILE 175 Ca 0.10 -0.01 0.14 0.00 -2.50 0.00 0.00 62.75 60.48 3i6a n ILE 175 Cb 0.29 -0.15 0.60 0.00 0.54 0.00 0.00 39.64 40.92 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 0.14 0.16 -0.26 9.51 4.64 -1.41 0.19 113.55 126.52 3i6a h SER 176 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i6a h SER 176 Cb 0.46 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3i6a h SER 176 CO 0.00 0.10 0.00 -1.20 -0.87 0.00 0.00 176.83 174.86 3i6a n SER 177 N -4.45 1.92 -3.86 4.97 7.64 -1.26 -4.66 113.62 113.91 3i6a n SER 177 Ca 0.07 -1.83 -0.28 0.00 1.01 0.00 0.00 58.87 57.85 3i6a n SER 177 Cb 0.40 -0.17 -0.12 0.00 -1.01 0.00 0.00 64.21 63.32 3i6a n SER 177 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i6a s PHE 178 N -1.67 3.34 0.36 1.43 0.08 0.05 -4.95 117.98 116.62 3i6a s PHE 178 Ca 0.31 -3.24 0.05 0.00 0.12 0.00 0.00 56.93 54.17 3i6a s PHE 178 Cb 0.16 -2.58 0.68 0.00 -0.57 0.00 0.00 43.02 40.72 3i6a s PHE 178 CO 0.24 -0.59 1.93 -1.00 -0.10 0.00 0.00 175.22 175.70 3i6a h PRO 179 N 5.53 0.51 -0.33 0.24 0.13 -1.83 -1.98 132.00 134.27 3i6a h PRO 179 Ca 0.13 -0.09 -0.16 0.00 -0.87 0.00 0.00 66.00 65.02 3i6a h PRO 179 Cb 0.78 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 3i6a h PRO 179 CO 0.69 0.49 -0.41 -0.07 -0.23 0.00 0.00 178.00 178.47 3i6a h LEU 180 N 0.50 0.92 -0.59 1.56 3.38 -1.93 -0.92 115.31 118.23 3i6a h LEU 180 Ca 0.12 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.66 3i6a h LEU 180 Cb 0.22 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3i6a h LEU 180 CO -0.00 1.23 0.30 -0.07 0.09 0.00 0.00 178.44 179.99 3i6a h LEU 181 N 0.64 0.42 0.25 1.67 3.38 -1.86 -0.83 115.31 118.98 3i6a h LEU 181 Ca 0.04 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3i6a h LEU 181 Cb 1.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3i6a h LEU 181 CO 0.10 0.27 -0.16 0.11 0.09 0.00 0.00 178.44 178.85 3i6a h LYS 182 N 0.56 -0.39 -0.84 1.13 1.57 -1.02 0.10 116.57 117.69 3i6a h LYS 182 Ca 0.27 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.24 3i6a h LYS 182 Cb 0.21 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 3i6a h LYS 182 CO -0.20 -0.26 0.40 0.00 -0.57 0.00 0.00 179.45 178.83 3i6a h ALA 183 N 0.33 1.26 -0.29 3.86 0.00 -0.91 -1.61 119.26 121.89 3i6a h ALA 183 Ca -0.02 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3i6a h ALA 183 Cb 0.34 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i6a h ALA 183 CO 0.02 -0.15 -0.34 1.25 0.00 0.00 0.00 179.25 180.03 3i6a h LEU 184 N 0.55 0.81 -0.62 0.00 5.85 -0.73 -0.90 115.31 120.27 3i6a h LEU 184 Ca 0.47 -0.49 0.12 0.00 0.84 0.00 0.00 57.88 58.82 3i6a h LEU 184 Cb 0.71 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 3i6a h LEU 184 CO -0.39 1.13 0.13 0.50 -0.34 0.00 0.00 178.44 179.46 3i6a h LYS 185 N 0.50 0.24 -0.42 1.25 3.64 -0.10 -1.63 116.57 120.06 3i6a h LYS 185 Ca 0.04 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3i6a h LYS 185 Cb 0.92 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 3i6a h LYS 185 CO 0.08 0.16 0.12 1.15 -2.27 0.00 0.00 179.45 178.69 3i6a h THR 186 N 0.25 1.22 -0.13 1.00 2.02 -1.09 -1.72 112.91 114.47 3i6a h THR 186 Ca 0.33 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 3i6a h THR 186 Cb 0.50 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3i6a h THR 186 CO -0.42 0.27 -0.01 0.03 0.37 0.00 0.00 175.52 175.75 3i6a h ARG 187 N 0.54 0.24 -0.44 6.66 3.08 -0.78 -1.70 114.38 121.98 3i6a h ARG 187 Ca 0.13 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 3i6a h ARG 187 Cb 0.29 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3i6a h ARG 187 CO -0.00 0.49 -0.28 0.82 -1.07 0.00 0.00 179.97 179.93 3i6a h ILE 188 N -0.04 1.27 0.00 2.04 1.08 -1.38 -2.50 117.51 117.98 3i6a h ILE 188 Ca 0.04 -1.45 -0.01 0.00 -0.39 0.00 0.00 64.86 63.04 3i6a h ILE 188 Cb 0.39 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 3i6a h ILE 188 CO 0.01 0.49 -0.06 0.28 -0.69 0.00 0.00 178.15 178.18 3i6a h SER 189 N 0.81 0.00 1.11 1.72 0.02 -1.17 -2.00 113.55 114.04 3i6a h SER 189 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3i6a h SER 189 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3i6a h SER 189 CO 0.08 0.06 -0.33 0.59 -1.14 0.00 0.00 176.83 176.09 3i6a n ASN 190 N -3.68 0.71 -4.68 3.07 3.02 -0.65 -2.97 115.26 110.08 3i6a n ASN 190 Ca -0.02 0.31 -0.45 0.00 -0.03 0.00 0.00 54.58 54.39 3i6a n ASN 190 Cb 0.17 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 3i6a n ASN 190 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i6a n LEU 191 N -2.12 3.27 -0.29 3.41 4.77 -0.75 -4.71 117.00 120.57 3i6a n LEU 191 Ca 0.04 1.12 0.10 0.00 -0.03 0.00 0.00 56.01 57.25 3i6a n LEU 191 Cb 0.43 -1.45 0.26 0.00 -2.33 0.00 0.00 43.42 40.33 3i6a n LEU 191 CO 0.33 -0.33 1.00 -0.65 -1.33 0.00 0.00 177.39 176.42 3i6a h PRO 192 N 4.93 0.35 -0.32 3.23 0.11 -1.89 0.16 132.00 138.56 3i6a h PRO 192 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3i6a h PRO 192 Cb 1.26 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3i6a h PRO 192 CO 0.81 0.23 -0.07 1.79 -0.21 0.00 0.00 178.00 180.55 3i6a h THR 193 N 0.36 1.28 -0.04 -1.15 1.35 -1.87 -1.68 112.91 111.15 3i6a h THR 193 Ca 0.51 -1.11 -0.18 0.00 -0.55 0.00 0.00 66.41 65.08 3i6a h THR 193 Cb 0.93 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 3i6a h THR 193 CO -0.53 0.36 -0.75 0.58 -0.25 0.00 0.00 175.52 174.93 3i6a h VAL 194 N 0.39 1.42 -0.19 6.82 2.07 -1.44 -2.09 116.25 123.23 3i6a h VAL 194 Ca 0.08 -2.27 0.01 0.00 0.82 0.00 0.00 66.70 65.34 3i6a h VAL 194 Cb 0.56 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3i6a h VAL 194 CO 0.03 0.67 0.11 0.50 0.02 0.00 0.00 177.57 178.90 3i6a h LYS 195 N 0.19 0.22 0.08 1.57 3.64 -0.64 0.00 116.57 121.64 3i6a h LYS 195 Ca -0.03 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3i6a h LYS 195 Cb 1.33 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 3i6a h LYS 195 CO 0.12 0.15 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.13 3i6a h LYS 196 N 0.23 -0.20 -0.94 1.90 3.64 -1.18 -2.01 116.57 118.01 3i6a h LYS 196 Ca 0.07 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.61 3i6a h LYS 196 Cb -0.01 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.78 3i6a h LYS 196 CO -0.03 -0.14 0.60 0.35 -2.27 0.00 0.00 179.45 177.96 3i6a h PHE 197 N -0.21 0.93 0.00 1.91 3.57 -1.08 -0.66 116.94 121.39 3i6a h PHE 197 Ca 0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3i6a h PHE 197 Cb 0.21 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3i6a h PHE 197 CO -0.12 0.33 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.98 3i6a h LEU 198 N 0.77 0.00-10.37 0.59 3.38 -0.69 -3.41 115.31 105.58 3i6a h LEU 198 Ca 0.48 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.96 3i6a h LEU 198 Cb 0.70 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.58 3i6a h LEU 198 CO -0.24 0.24 0.29 -1.10 0.09 0.00 0.00 178.44 177.72 3i6a s GLN 199 N -3.33 1.70 0.77 1.13 -0.21 -0.26 -4.98 119.66 114.48 3i6a s GLN 199 Ca 0.03 0.76 -0.14 0.00 0.02 0.00 0.00 55.36 56.03 3i6a s GLN 199 Cb 0.08 -1.86 0.06 0.00 1.00 0.00 0.00 33.01 32.29 3i6a s GLN 199 CO 0.67 -1.92 1.23 -2.30 -2.12 0.00 0.00 175.29 170.85 3i6a n PRO 200 N -3.65 0.41 -0.54 2.91 -0.02 -1.26 -3.60 135.00 129.25 3i6a n PRO 200 Ca 0.07 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3i6a n PRO 200 Cb 0.56 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.63 0.82 3.92 -1.23 0.00 -1.26 -5.04 105.19 103.03 3i6a n GLY 201 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.00 4.49 0.00 1.61 1.04 -1.24 -4.94 113.70 111.66 3i6a s SER 202 Ca 0.00 0.54 0.11 0.00 0.48 0.00 0.00 55.95 57.08 3i6a s SER 202 Cb 0.00 -1.05 0.68 0.00 0.10 0.00 0.00 66.02 65.75 3i6a s SER 202 CO 0.00 -1.85 1.14 -2.65 0.98 0.00 0.00 173.24 170.86 3i6a n PRO 203 N -3.17 0.56 -1.71 4.02 -0.02 -1.26 -4.81 135.00 128.61 3i6a n PRO 203 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 3i6a n PRO 203 Cb 0.61 -1.32 -0.02 0.00 -0.02 0.00 0.00 33.50 32.75 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 -0.82 2.40 -4.03 -0.52 0.63 -1.26 -4.98 116.66 108.09 3i6a n ARG 204 Ca 0.09 0.85 -0.32 0.00 -0.92 0.00 0.00 57.85 57.55 3i6a n ARG 204 Cb 0.04 -2.58 -0.06 0.00 0.45 0.00 0.00 32.46 30.31 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 -0.45 3.12 0.91 -0.14 -0.14 -1.26 -5.02 119.74 116.76 3i6a s LYS 205 Ca 0.66 -0.52 -0.14 0.00 -1.36 0.00 0.00 55.97 54.62 3i6a s LYS 205 Cb -0.56 -2.88 0.14 0.00 -1.68 0.00 0.00 37.83 32.85 3i6a s LYS 205 CO 0.49 0.62 1.19 -1.25 -0.76 0.00 0.00 175.35 175.64 3i6a s PRO 206 N -2.10 1.15 0.65 -1.68 0.04 -1.26 -4.80 135.00 127.00 3i6a s PRO 206 Ca 0.27 0.04 -0.18 0.00 0.04 0.00 0.00 61.00 61.18 3i6a s PRO 206 Cb -0.12 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 3i6a s PRO 206 CO 0.19 -2.14 1.25 -2.14 0.04 0.00 0.00 177.00 174.20 3i6a s PRO 207 N -5.53 2.58 0.31 0.56 0.02 -1.26 -4.28 135.00 127.41 3i6a s PRO 207 Ca 0.66 1.91 -0.28 0.00 0.02 0.00 0.00 61.00 63.31 3i6a s PRO 207 Cb -0.11 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 3i6a s PRO 207 CO 0.52 -1.53 1.14 -1.25 -0.33 0.00 0.00 177.00 175.55 3i6a s PRO 208 N -3.50 4.48 0.45 5.54 0.04 -1.26 -5.00 135.00 135.75 3i6a s PRO 208 Ca 0.79 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.72 3i6a s PRO 208 Cb -0.33 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 3i6a s PRO 208 CO 0.39 0.04 0.06 0.16 0.04 0.00 0.00 177.00 177.69 3i6a s ASP 209 N -0.89 3.44 0.29 6.66 1.47 -1.26 -5.00 116.67 121.37 3i6a s ASP 209 Ca 0.48 -1.63 0.02 0.00 1.18 0.00 0.00 52.55 52.60 3i6a s ASP 209 Cb -0.32 0.42 0.58 0.00 -0.34 0.00 0.00 42.92 43.25 3i6a s ASP 209 CO 0.42 -0.84 1.83 -0.33 0.68 0.00 0.00 175.17 176.93 3i6a h GLU 210 N 1.61 0.95 -0.56 2.11 4.39 -1.99 0.61 114.58 121.70 3i6a h GLU 210 Ca -0.40 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.21 3i6a h GLU 210 Cb 1.29 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 3i6a h GLU 210 CO 0.67 0.63 0.22 0.82 -1.16 0.00 0.00 179.01 180.18 3i6a h ILE 211 N 0.97 1.21 -0.15 3.13 2.04 -1.99 -2.35 117.51 120.36 3i6a h ILE 211 Ca 0.50 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3i6a h ILE 211 Cb 0.52 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3i6a h ILE 211 CO -0.27 0.26 -0.26 0.22 0.00 0.00 0.00 178.15 178.10 3i6a h TYR 212 N 0.81 0.56 0.26 1.37 3.20 -1.33 -2.98 116.97 118.86 3i6a h TYR 212 Ca 0.19 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3i6a h TYR 212 Cb 0.17 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3i6a h TYR 212 CO 0.01 0.88 -0.13 0.28 -1.64 0.00 0.00 178.16 177.56 3i6a h VAL 213 N 0.07 0.73 0.00 1.81 2.07 -0.93 -0.40 116.25 119.59 3i6a h VAL 213 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3i6a h VAL 213 Cb 0.83 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3i6a h VAL 213 CO 0.06 0.00 0.00 -2.11 0.02 0.00 0.00 177.57 175.54 3i6a n ARG 214 N -5.25 0.03 -0.05 1.57 1.85 -0.91 -0.88 116.66 113.02 3i6a n ARG 214 Ca -0.10 0.12 -0.16 0.00 -1.00 0.00 0.00 57.85 56.72 3i6a n ARG 214 Cb 0.17 -1.54 -0.06 0.00 -1.05 0.00 0.00 32.46 29.97 3i6a n ARG 214 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 3i6a h THR 215 N 0.00 1.29 -0.15 8.89 2.02 -1.24 -1.23 112.91 122.49 3i6a h THR 215 Ca 0.00 -1.80 -0.06 0.00 0.77 0.00 0.00 66.41 65.32 3i6a h THR 215 Cb 0.43 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3i6a h THR 215 CO 0.00 0.57 -0.15 0.58 0.37 0.00 0.00 175.52 176.89 3i6a h VAL 216 N 0.50 1.35 -0.14 3.16 2.07 -0.11 -2.53 116.25 120.55 3i6a h VAL 216 Ca -0.01 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.24 3i6a h VAL 216 Cb 1.21 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.79 3i6a h VAL 216 CO 0.13 0.39 -0.24 1.88 0.02 0.00 0.00 177.57 179.74 3i6a h TYR 217 N 0.00 -0.64 -0.89 1.57 0.99 -1.10 -2.67 116.97 114.23 3i6a h TYR 217 Ca 0.02 0.03 0.24 0.00 2.00 0.00 0.00 58.73 61.02 3i6a h TYR 217 Cb 0.69 0.31 -0.16 0.00 1.00 0.00 0.00 36.73 38.57 3i6a h TYR 217 CO 0.08 -0.32 0.10 -0.91 -0.00 0.00 0.00 178.16 177.11 3i6a h ASN 218 N -0.30 -0.27 -0.66 3.88 4.21 -1.16 0.09 115.58 121.37 3i6a h ASN 218 Ca 0.10 0.23 -0.03 0.00 1.21 0.00 0.00 56.30 57.82 3i6a h ASN 218 Cb 0.46 0.37 -0.03 0.00 -1.12 0.00 0.00 38.32 38.00 3i6a h ASN 218 CO -0.32 -0.24 0.31 0.40 -1.29 0.00 0.00 177.43 176.29 3i6a h ILE 219 N 0.10 1.23 -0.02 2.81 2.04 -1.10 -3.44 117.51 119.13 3i6a h ILE 219 Ca 0.54 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3i6a h ILE 219 Cb 1.08 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3i6a h ILE 219 CO -0.76 0.26 0.00 0.49 0.00 0.00 0.00 178.15 178.14