#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 2.19 0.31 0.00 8.01 -1.26 -5.05 118.70 122.90 3i6a s GLU 3 Ca 0.00 -0.06 -0.29 0.00 0.01 0.00 0.00 54.97 54.63 3i6a s GLU 3 Cb 0.00 -2.08 -0.11 0.00 -4.31 0.00 0.00 34.13 27.63 3i6a s GLU 3 CO 0.00 -1.33 1.46 0.15 0.01 0.00 0.00 175.26 175.55 3i6a s LYS 4 N -5.36 4.21 0.23 1.61 1.02 -1.26 -4.84 119.74 115.34 3i6a s LYS 4 Ca 0.60 2.42 -0.31 0.00 0.02 0.00 0.00 55.97 58.71 3i6a s LYS 4 Cb -0.11 -3.04 -0.14 0.00 -0.52 0.00 0.00 37.83 34.02 3i6a s LYS 4 CO 0.47 -0.46 1.26 -2.30 -0.92 0.00 0.00 175.35 173.41 3i6a n PRO 5 N 1.49 1.65 -4.11 -1.68 -0.02 -1.26 -4.75 135.00 126.33 3i6a n PRO 5 Ca 0.04 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 3i6a n PRO 5 Cb 0.40 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 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 -0.64 3.26 -0.29 -0.52 2.20 -0.44 -1.43 119.74 121.89 3i6a s LYS 6 Ca 0.68 -0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 55.42 3i6a s LYS 6 Cb -0.72 -2.82 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 3i6a s LYS 6 CO 0.53 -0.14 0.46 -0.51 -0.36 0.00 0.00 175.35 175.32 3i6a s LEU 7 N 1.25 4.12 -0.36 5.43 1.02 0.22 -0.99 118.68 129.38 3i6a s LEU 7 Ca 0.03 0.29 -0.14 0.00 0.02 0.00 0.00 54.13 54.33 3i6a s LEU 7 Cb -0.14 -2.55 -0.00 0.00 0.02 0.00 0.00 46.19 43.52 3i6a s LEU 7 CO -0.05 -0.29 0.27 -1.00 0.02 0.00 0.00 176.35 175.30 3i6a s HIS 8 N 2.23 3.23 0.21 0.29 3.76 0.44 -1.61 115.29 123.85 3i6a s HIS 8 Ca 0.18 -0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 54.54 3i6a s HIS 8 Cb -0.16 -2.53 0.07 0.00 1.11 0.00 0.00 32.58 31.07 3i6a s HIS 8 CO 0.10 -0.44 0.96 -0.47 -0.85 0.00 0.00 174.74 174.04 3i6a s TYR 9 N 1.72 0.00 0.74 1.40 5.04 -1.23 -2.79 117.35 122.24 3i6a s TYR 9 Ca 0.06 -0.42 -0.13 0.00 -2.44 0.00 0.00 57.07 54.14 3i6a s TYR 9 Cb -0.18 0.70 0.04 0.00 0.35 0.00 0.00 41.96 42.88 3i6a s TYR 9 CO 0.10 -1.02 1.12 -0.06 -1.34 0.00 0.00 175.55 174.36 3i6a s PHE 10 N -2.65 2.43 -1.29 4.97 0.40 -1.26 -0.53 117.98 120.04 3i6a s PHE 10 Ca 0.17 1.59 -0.18 0.00 -0.60 0.00 0.00 56.93 57.90 3i6a s PHE 10 Cb -0.03 -3.18 0.05 0.00 0.51 0.00 0.00 43.02 40.38 3i6a s PHE 10 CO 0.05 -1.96 1.79 -1.71 0.70 0.00 0.00 175.22 174.10 3i6a n ASN 11 N -3.09 4.65 -3.74 1.36 2.85 -1.26 -4.77 115.26 111.26 3i6a n ASN 11 Ca 0.10 -2.89 0.02 0.00 -0.11 0.00 0.00 54.58 51.71 3i6a n ASN 11 Cb 0.52 -1.74 0.01 0.00 1.24 0.00 0.00 39.78 39.81 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 4.41 -0.21 -0.00 8.20 0.00 -1.26 -5.02 107.32 113.45 3i6a s GLY 12 Ca 0.55 0.23 -0.00 0.00 0.00 0.00 0.00 44.72 45.50 3i6a s GLY 12 CO 0.08 3.77 0.52 3.21 0.00 0.00 0.00 173.10 180.68 3i6a h ARG 13 N 2.00 -0.00 0.00 2.90 3.08 -1.86 -3.45 114.38 117.05 3i6a h ARG 13 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3i6a h ARG 13 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3i6a h ARG 13 CO 0.31 -0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.62 3i6a n GLY 14 N 0.43 1.63 0.49 0.04 0.00 -1.26 -2.18 105.19 104.34 3i6a n GLY 14 Ca -0.00 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 9.78 1.32 0.01 1.61 1.74 -1.26 -3.98 116.66 125.88 3i6a n ARG 15 Ca 0.00 -0.98 0.11 0.00 -0.77 0.00 0.00 57.85 56.21 3i6a n ARG 15 Cb 0.00 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 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 0.01 0.26 0.09 5.56 1.56 -0.93 -4.59 117.12 119.09 3i6a n MET 16 Ca 0.12 -0.04 -0.03 0.00 -0.27 0.00 0.00 57.70 57.48 3i6a n MET 16 Cb 0.44 -1.54 0.20 0.00 2.15 0.00 0.00 33.22 34.46 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 0.23 0.00 2.12 4.57 -1.59 -1.87 114.58 118.04 3i6a h GLU 17 Ca 0.00 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 3i6a h GLU 17 Cb 0.70 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 3i6a h GLU 17 CO 0.00 0.65 -0.38 0.66 -1.18 0.00 0.00 179.01 178.76 3i6a h SER 18 N 0.19 0.00 -0.15 1.04 4.64 -1.86 -1.21 113.55 116.20 3i6a h SER 18 Ca 0.01 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.16 3i6a h SER 18 Cb 0.89 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3i6a h SER 18 CO 0.07 0.38 -0.54 0.74 -0.87 0.00 0.00 176.83 176.61 3i6a h THR 19 N 0.00 1.29 -0.39 2.95 2.02 -1.65 -1.77 112.91 115.37 3i6a h THR 19 Ca -0.00 -1.75 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 3i6a h THR 19 Cb 0.72 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 3i6a h THR 19 CO 0.05 0.56 0.13 0.03 0.37 0.00 0.00 175.52 176.66 3i6a h ARG 20 N 0.57 0.59 -0.32 6.66 3.08 -0.81 -1.59 114.38 122.56 3i6a h ARG 20 Ca 0.01 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 59.99 3i6a h ARG 20 Cb 1.12 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 3i6a h ARG 20 CO 0.11 0.58 0.09 -1.49 -1.07 0.00 0.00 179.97 178.20 3i6a h TRP 21 N 0.48 0.15 -0.18 3.04 4.06 -1.24 -2.00 115.95 120.25 3i6a h TRP 21 Ca 0.13 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 61.05 3i6a h TRP 21 Cb 0.23 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 3i6a h TRP 21 CO 0.01 0.05 -0.06 1.25 -3.56 0.00 0.00 178.44 176.13 3i6a h LEU 22 N 0.21 0.37 -0.79 -4.49 5.85 -1.15 0.58 115.31 115.90 3i6a h LEU 22 Ca 0.15 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.49 3i6a h LEU 22 Cb 0.14 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3i6a h LEU 22 CO -0.17 0.68 0.52 -0.07 -0.34 0.00 0.00 178.44 179.06 3i6a h LEU 23 N 0.07 0.88 -0.02 2.25 3.38 -1.34 0.13 115.31 120.66 3i6a h LEU 23 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i6a h LEU 23 Cb 0.53 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3i6a h LEU 23 CO 0.02 0.63 -0.01 0.00 0.09 0.00 0.00 178.44 179.18 3i6a h ALA 24 N 1.30 0.02 -0.96 1.53 0.00 -1.18 0.22 119.26 120.21 3i6a h ALA 24 Ca 0.30 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.25 3i6a h ALA 24 Cb -0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.57 3i6a h ALA 24 CO -0.08 -0.27 0.50 0.00 0.00 0.00 0.00 179.25 179.40 3i6a h ALA 25 N 0.61 1.65 0.00 0.00 0.00 -0.79 -0.17 119.26 120.56 3i6a h ALA 25 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i6a h ALA 25 Cb 0.41 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i6a h ALA 25 CO 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.90 3i6a n ALA 26 N -2.40 2.47 -1.09 0.00 0.00 0.44 -4.78 120.51 115.15 3i6a n ALA 26 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.53 3i6a n ALA 26 Cb 0.74 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 1.04 0.51 3.65 0.00 0.00 -0.08 -5.02 105.19 105.30 3i6a n GLY 27 Ca 0.16 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.07 5.23 0.13 1.61 1.01 0.69 -5.01 120.40 121.99 3i6a s VAL 28 Ca 0.00 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 3i6a s VAL 28 Cb 0.00 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 3i6a s VAL 28 CO 0.00 0.25 1.10 -1.61 0.00 0.00 0.00 175.10 174.84 3i6a s GLU 29 N 1.44 4.56 0.20 2.72 2.02 -1.26 -4.37 118.70 124.02 3i6a s GLU 29 Ca 0.16 1.68 -0.00 0.00 0.02 0.00 0.00 54.97 56.83 3i6a s GLU 29 Cb -0.15 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 3i6a s GLU 29 CO 0.08 0.00 0.09 -0.59 0.02 0.00 0.00 175.26 174.86 3i6a s PHE 30 N 0.16 1.23 0.23 1.61 -0.12 -1.26 -4.20 117.98 115.63 3i6a s PHE 30 Ca 0.51 -1.25 0.11 0.00 -0.05 0.00 0.00 56.93 56.26 3i6a s PHE 30 Cb -0.28 -0.66 -0.05 0.00 -0.63 0.00 0.00 43.02 41.40 3i6a s PHE 30 CO 0.33 -0.48 -0.21 -1.21 -0.05 0.00 0.00 175.22 173.60 3i6a s GLU 31 N -4.07 1.63 -0.03 1.99 2.02 -0.51 -5.00 118.70 114.72 3i6a s GLU 31 Ca 0.34 -1.61 0.05 0.00 0.02 0.00 0.00 54.97 53.77 3i6a s GLU 31 Cb 0.07 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 32.46 3i6a s GLU 31 CO 0.10 0.37 -0.19 -1.21 0.02 0.00 0.00 175.26 174.35 3i6a s GLU 32 N -3.04 1.81 -0.39 1.61 2.02 -1.26 -0.61 118.70 118.84 3i6a s GLU 32 Ca 0.25 -0.68 -0.05 0.00 0.02 0.00 0.00 54.97 54.51 3i6a s GLU 32 Cb -0.07 -1.62 0.08 0.00 0.10 0.00 0.00 34.13 32.63 3i6a s GLU 32 CO 0.12 0.32 0.18 0.21 0.02 0.00 0.00 175.26 176.12 3i6a s LYS 33 N -0.17 2.33 0.05 1.61 2.20 -0.63 -4.92 119.74 120.21 3i6a s LYS 33 Ca 0.00 -1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 53.75 3i6a s LYS 33 Cb -0.10 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 3i6a s LYS 33 CO 0.01 -0.93 1.14 -0.06 -0.36 0.00 0.00 175.35 175.16 3i6a s PHE 34 N 1.28 3.50 -0.32 4.03 0.08 -1.26 -3.52 117.98 121.77 3i6a s PHE 34 Ca 0.03 1.40 -0.27 0.00 0.12 0.00 0.00 56.93 58.22 3i6a s PHE 34 Cb -0.22 -3.34 0.01 0.00 -0.57 0.00 0.00 43.02 38.89 3i6a s PHE 34 CO -0.01 -0.96 0.95 0.42 -0.10 0.00 0.00 175.22 175.52 3i6a s ILE 35 N 1.01 4.63 -0.63 0.64 1.01 0.31 -4.91 121.20 123.26 3i6a s ILE 35 Ca 0.57 1.47 0.13 0.00 0.00 0.00 0.00 60.65 62.83 3i6a s ILE 35 Cb -0.27 -4.30 -0.15 0.00 0.01 0.00 0.00 42.46 37.74 3i6a s ILE 35 CO 0.29 -0.39 0.57 0.29 0.00 0.00 0.00 174.94 175.70 3i6a n LYS 36 N 6.59 2.48 -3.74 2.79 4.76 -1.26 -4.29 118.16 125.49 3i6a n LYS 36 Ca 0.08 -0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.42 3i6a n LYS 36 Cb 0.48 -1.14 -0.04 0.00 -1.84 0.00 0.00 35.03 32.48 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 -2.30 -0.21 0.44 4.39 1.04 -1.26 -4.95 113.70 110.84 3i6a s SER 37 Ca 0.05 -0.50 0.11 0.00 0.48 0.00 0.00 55.95 56.10 3i6a s SER 37 Cb 0.10 0.53 0.99 0.00 0.10 0.00 0.00 66.02 67.74 3i6a s SER 37 CO 0.56 -0.98 2.04 0.00 0.98 0.00 0.00 173.24 175.84 3i6a h ALA 38 N 2.29 1.88 -0.70 5.32 0.00 -1.80 -2.27 119.26 123.98 3i6a h ALA 38 Ca -0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3i6a h ALA 38 Cb 1.26 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3i6a h ALA 38 CO 0.41 0.05 0.27 0.93 0.00 0.00 0.00 179.25 180.91 3i6a h GLU 39 N 0.42 1.04 -0.49 0.00 3.07 -1.94 0.16 114.58 116.84 3i6a h GLU 39 Ca 0.18 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3i6a h GLU 39 Cb 0.21 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3i6a h GLU 39 CO -0.04 0.85 0.22 -0.44 -1.40 0.00 0.00 179.01 178.19 3i6a h ASP 40 N 1.02 0.67 -0.05 1.42 3.32 -1.82 -1.97 116.42 119.00 3i6a h ASP 40 Ca 0.24 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3i6a h ASP 40 Cb 0.21 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3i6a h ASP 40 CO -0.02 0.63 0.00 0.25 -1.72 0.00 0.00 179.24 178.39 3i6a h LEU 41 N 0.65 0.09 -1.80 1.55 5.85 -1.32 -2.82 115.31 117.51 3i6a h LEU 41 Ca 0.17 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 3i6a h LEU 41 Cb 0.16 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3i6a h LEU 41 CO -0.02 0.36 -0.12 0.44 -0.34 0.00 0.00 178.44 178.76 3i6a h ASP 42 N -0.19 0.00 -0.30 1.25 3.32 -0.58 -1.08 116.42 118.85 3i6a h ASP 42 Ca 0.02 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 3i6a h ASP 42 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3i6a h ASP 42 CO 0.00 0.12 -0.22 0.50 -1.72 0.00 0.00 179.24 177.92 3i6a h LYS 43 N 0.00 0.67 -0.09 3.56 1.63 -1.33 0.69 116.57 121.70 3i6a h LYS 43 Ca -0.00 -0.33 0.02 0.00 -0.85 0.00 0.00 60.65 59.49 3i6a h LYS 43 Cb 0.22 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 3i6a h LYS 43 CO 0.02 0.93 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.85 3i6a h LEU 44 N 0.42 -0.10 0.14 5.20 3.38 -1.09 0.19 115.31 123.45 3i6a h LEU 44 Ca 0.06 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3i6a h LEU 44 Cb 0.77 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3i6a h LEU 44 CO 0.06 -0.04 -0.40 0.03 0.09 0.00 0.00 178.44 178.18 3i6a h ARG 45 N -0.01 -0.62 0.00 1.13 3.08 -1.18 -1.51 114.38 115.27 3i6a h ARG 45 Ca 0.05 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3i6a h ARG 45 Cb 0.08 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3i6a h ARG 45 CO -0.10 -0.41 -0.15 -0.97 -1.07 0.00 0.00 179.97 177.27 3i6a h ASN 46 N -0.64 0.00 0.33 7.04 -1.24 -0.70 -0.33 115.58 120.03 3i6a h ASN 46 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 3i6a h ASN 46 Cb 0.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.71 3i6a h ASN 46 CO -0.22 0.15 0.00 0.47 -1.29 0.00 0.00 177.43 176.54 3i6a n ASP 47 N -3.57 0.00 -0.18 1.15 8.00 0.64 -4.90 116.55 117.69 3i6a n ASP 47 Ca -0.01 -0.31 -0.02 0.00 0.71 0.00 0.00 54.79 55.15 3i6a n ASP 47 Cb 0.29 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.83 0.43 0.09 0.44 0.00 -0.14 -4.95 105.19 101.90 3i6a n GLY 48 Ca 0.15 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.36 0.79 -3.90 1.61 4.02 -0.59 -4.73 117.16 111.00 3i6a n TYR 49 Ca -0.02 0.23 -0.30 0.00 -0.01 0.00 0.00 57.90 57.79 3i6a n TYR 49 Cb 0.25 -0.84 -0.15 0.00 -0.02 0.00 0.00 39.34 38.58 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 -4.38 3.35 0.24 7.72 1.43 -1.26 -4.91 118.68 120.87 3i6a s LEU 50 Ca 0.09 -1.75 -0.06 0.00 -1.03 0.00 0.00 54.13 51.38 3i6a s LEU 50 Cb 0.13 -1.25 0.42 0.00 0.03 0.00 0.00 46.19 45.52 3i6a s LEU 50 CO 0.63 -0.36 1.70 -0.03 0.23 0.00 0.00 176.35 178.52 3i6a h MET 51 N 7.86 0.28 -0.30 1.70 1.85 -1.86 -1.75 114.93 122.71 3i6a h MET 51 Ca -0.11 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 58.93 3i6a h MET 51 Cb 1.03 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.97 3i6a h MET 51 CO 0.48 0.19 0.00 1.19 -0.40 0.00 0.00 176.91 178.37 3i6a n PHE 52 N -5.13 1.03 -1.18 1.39 3.72 -1.26 -4.96 117.46 111.08 3i6a n PHE 52 Ca 0.13 -1.01 -0.06 0.00 -0.05 0.00 0.00 57.45 56.45 3i6a n PHE 52 Cb 0.42 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.61 -0.99 -4.31 -1.08 6.02 -0.66 -5.00 117.38 110.74 3i6a n GLN 53 Ca 0.24 0.61 -0.19 0.00 -0.01 0.00 0.00 57.00 57.66 3i6a n GLN 53 Cb 0.94 -4.55 -0.10 0.00 1.02 0.00 0.00 30.24 27.54 3i6a n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i6a s GLN 54 N -2.11 1.23 0.31 -1.09 -0.21 -1.26 -4.96 119.66 111.58 3i6a s GLN 54 Ca 0.00 -1.47 0.08 0.00 0.02 0.00 0.00 55.36 54.00 3i6a s GLN 54 Cb 0.00 -1.09 -0.04 0.00 1.00 0.00 0.00 33.01 32.88 3i6a s GLN 54 CO 0.00 0.19 0.14 0.14 -2.12 0.00 0.00 175.29 173.65 3i6a s VAL 55 N -2.62 3.36 0.46 1.09 -7.23 -1.26 -4.61 120.40 109.59 3i6a s VAL 55 Ca 0.18 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.45 3i6a s VAL 55 Cb -0.02 -3.03 -0.08 0.00 0.56 0.00 0.00 36.38 33.80 3i6a s VAL 55 CO 0.06 -0.24 1.29 -2.65 -0.31 0.00 0.00 175.10 173.25 3i6a n PRO 56 N -1.13 1.88 -4.21 4.82 -0.02 -1.26 -5.00 135.00 130.08 3i6a n PRO 56 Ca -0.04 0.67 -0.17 0.00 -2.02 0.00 0.00 63.50 61.95 3i6a n PRO 56 Cb 0.60 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.49 3i6a n PRO 56 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3i6a s MET 57 N -2.39 0.52 -0.09 -0.52 1.75 -1.12 -3.86 119.30 113.59 3i6a s MET 57 Ca 0.64 -0.21 0.03 0.00 -1.25 0.00 0.00 55.69 54.90 3i6a s MET 57 Cb -0.48 -0.50 0.01 0.00 2.84 0.00 0.00 34.83 36.69 3i6a s MET 57 CO 0.56 0.12 -0.20 0.08 -0.65 0.00 0.00 175.02 174.93 3i6a s VAL 58 N -0.08 1.78 -0.43 10.11 1.01 0.59 -0.42 120.40 132.96 3i6a s VAL 58 Ca 0.02 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 3i6a s VAL 58 Cb -0.03 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3i6a s VAL 58 CO -0.00 0.50 0.75 -1.61 0.00 0.00 0.00 175.10 174.74 3i6a s GLU 59 N 0.51 3.44 -0.10 2.72 2.02 -0.16 -0.17 118.70 126.96 3i6a s GLU 59 Ca -0.16 -0.10 -0.06 0.00 0.02 0.00 0.00 54.97 54.68 3i6a s GLU 59 Cb -0.17 -3.92 0.04 0.00 0.10 0.00 0.00 34.13 30.18 3i6a s GLU 59 CO 0.06 -1.05 0.25 -1.50 0.02 0.00 0.00 175.26 173.04 3i6a s ILE 60 N 3.16 -0.03 -1.55 -1.63 2.07 0.03 -1.33 121.20 121.92 3i6a s ILE 60 Ca 0.28 0.12 -0.04 0.00 -1.41 0.00 0.00 60.65 59.61 3i6a s ILE 60 Cb -0.13 -0.38 0.03 0.00 0.13 0.00 0.00 42.46 42.12 3i6a s ILE 60 CO 0.21 0.05 0.24 0.47 -1.91 0.00 0.00 174.94 174.00 3i6a n ASP 61 N 3.99 -0.01 0.00 4.50 8.00 -1.26 -0.73 116.55 131.05 3i6a n ASP 61 Ca -0.23 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.10 3i6a n ASP 61 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 41.12 39.49 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 -2.17 0.88 3.52 0.44 0.00 -1.26 -5.03 105.19 101.57 3i6a n GLY 62 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.22 1.89 -0.78 1.61 -1.94 0.10 -5.07 119.30 114.89 3i6a s MET 63 Ca 0.00 -1.18 -0.11 0.00 -1.71 0.00 0.00 55.69 52.69 3i6a s MET 63 Cb 0.00 -2.14 0.20 0.00 2.01 0.00 0.00 34.83 34.90 3i6a s MET 63 CO 0.00 0.47 0.68 0.15 -0.01 0.00 0.00 175.02 176.31 3i6a s LYS 64 N -2.31 3.32 -0.11 2.03 1.02 -1.26 -0.79 119.74 121.64 3i6a s LYS 64 Ca 0.20 -2.51 -0.18 0.00 0.02 0.00 0.00 55.97 53.50 3i6a s LYS 64 Cb -0.10 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 32.94 3i6a s LYS 64 CO 0.12 -1.26 0.46 -0.51 -0.92 0.00 0.00 175.35 173.24 3i6a s LEU 65 N 0.04 4.29 0.42 3.17 1.43 0.76 -4.88 118.68 123.92 3i6a s LEU 65 Ca 0.18 0.81 0.07 0.00 -1.03 0.00 0.00 54.13 54.16 3i6a s LEU 65 Cb -0.13 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3i6a s LEU 65 CO -0.07 0.04 0.27 0.68 0.23 0.00 0.00 176.35 177.49 3i6a s VAL 66 N 0.44 2.37 0.01 -1.59 -7.23 -1.26 -0.30 120.40 112.85 3i6a s VAL 66 Ca 0.25 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 3i6a s VAL 66 Cb -0.15 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.86 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 -1.39 -0.97 -0.33 4.82 1.13 -1.25 -4.50 117.38 114.89 3i6a n GLN 67 Ca 0.00 1.11 -0.01 0.00 -1.94 0.00 0.00 57.00 56.17 3i6a n GLN 67 Cb 0.64 -1.21 0.05 0.00 0.11 0.00 0.00 30.24 29.82 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 0.79 0.06 -0.18 5.09 2.02 -1.90 0.20 112.91 119.00 3i6a h THR 68 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3i6a h THR 68 Cb 0.00 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 3i6a h THR 68 CO 0.00 0.00 -0.21 0.03 0.37 0.00 0.00 175.52 175.71 3i6a h ARG 69 N -0.04 0.31 -0.58 6.66 3.08 -1.97 0.12 114.38 121.96 3i6a h ARG 69 Ca 0.34 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 3i6a h ARG 69 Cb 0.60 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3i6a h ARG 69 CO -0.90 0.51 -0.04 0.00 -1.07 0.00 0.00 179.97 178.47 3i6a h ALA 70 N 1.50 0.83 -0.01 0.04 0.00 -1.24 -0.63 119.26 119.76 3i6a h ALA 70 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i6a h ALA 70 Cb 0.54 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i6a h ALA 70 CO 0.04 0.67 -0.00 0.82 0.00 0.00 0.00 179.25 180.77 3i6a h ILE 71 N 0.94 1.26 -0.23 0.00 2.04 -0.60 -2.62 117.51 118.31 3i6a h ILE 71 Ca 0.16 -0.78 -0.16 0.00 1.00 0.00 0.00 64.86 65.08 3i6a h ILE 71 Cb 0.60 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3i6a h ILE 71 CO 0.04 0.20 -0.52 -0.07 0.00 0.00 0.00 178.15 177.80 3i6a h LEU 72 N -0.30 0.73 -0.67 1.44 3.38 -0.97 -1.80 115.31 117.12 3i6a h LEU 72 Ca 0.00 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 3i6a h LEU 72 Cb 0.33 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3i6a h LEU 72 CO 0.00 1.12 0.28 0.78 0.09 0.00 0.00 178.44 180.71 3i6a h ASN 73 N 0.52 0.92 -0.16 -0.43 2.35 -1.14 0.28 115.58 117.91 3i6a h ASN 73 Ca 0.02 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 3i6a h ASN 73 Cb 1.08 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 3i6a h ASN 73 CO 0.11 0.83 0.05 0.22 -1.65 0.00 0.00 177.43 176.99 3i6a h TYR 74 N 0.95 0.26 -0.01 1.19 3.20 -1.30 0.72 116.97 121.99 3i6a h TYR 74 Ca 0.23 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3i6a h TYR 74 Cb 0.19 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 3i6a h TYR 74 CO 0.01 0.37 0.01 0.82 -1.64 0.00 0.00 178.16 177.73 3i6a h ILE 75 N 0.08 1.10 -0.61 1.81 2.04 -1.22 -0.59 117.51 120.12 3i6a h ILE 75 Ca 0.05 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.69 3i6a h ILE 75 Cb 0.23 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3i6a h ILE 75 CO -0.00 0.08 0.31 0.00 0.00 0.00 0.00 178.15 178.54 3i6a h ALA 76 N 0.89 0.80 -0.46 1.87 0.00 -0.87 -0.90 119.26 120.59 3i6a h ALA 76 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3i6a h ALA 76 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3i6a h ALA 76 CO -0.00 -0.04 -0.02 1.03 0.00 0.00 0.00 179.25 180.22 3i6a h SER 77 N 0.58 0.81 -0.26 0.00 0.87 -0.70 0.17 113.55 115.03 3i6a h SER 77 Ca 0.28 -0.32 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 3i6a h SER 77 Cb 0.21 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3i6a h SER 77 CO -0.20 0.94 -0.19 0.50 -0.53 0.00 0.00 176.83 177.35 3i6a h LYS 78 N 0.67 0.71 -0.59 2.24 3.64 -0.56 -3.06 116.57 119.63 3i6a h LYS 78 Ca 0.13 -0.27 -0.16 0.00 -1.27 0.00 0.00 60.65 59.07 3i6a h LYS 78 Cb 0.54 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.21 3i6a h LYS 78 CO 0.03 0.86 0.17 0.66 -2.27 0.00 0.00 179.45 178.89 3i6a n TYR 79 N -4.13 1.97 -3.82 1.91 4.01 -0.39 -4.95 117.16 111.75 3i6a n TYR 79 Ca 0.00 -1.18 -0.25 0.00 -0.16 0.00 0.00 57.90 56.31 3i6a n TYR 79 Cb 0.41 -0.59 0.02 0.00 -0.31 0.00 0.00 39.34 38.87 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 -0.34 -2.18 -0.37 7.72 3.02 -0.98 -4.86 115.26 117.26 3i6a n ASN 80 Ca 0.36 -0.84 0.08 0.00 -0.03 0.00 0.00 54.58 54.15 3i6a n ASN 80 Cb 1.24 -3.80 0.18 0.00 -0.61 0.00 0.00 39.78 36.79 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 -4.42 2.80 -0.99 3.41 4.77 0.56 -4.65 117.00 118.48 3i6a n LEU 81 Ca -0.19 -3.24 0.03 0.00 -0.03 0.00 0.00 56.01 52.59 3i6a n LEU 81 Cb 0.63 -0.48 0.14 0.00 -2.33 0.00 0.00 43.42 41.38 3i6a n LEU 81 CO 0.72 0.84 0.26 0.00 -1.33 0.00 0.00 177.39 177.88 3i6a n TYR 82 N -1.20 0.22 -2.57 -1.77 4.19 -1.19 -0.12 117.16 114.72 3i6a n TYR 82 Ca 0.19 -1.31 0.01 0.00 3.31 0.00 0.00 57.90 60.09 3i6a n TYR 82 Cb 0.72 -0.23 -0.00 0.00 0.49 0.00 0.00 39.34 40.32 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 -0.66 -2.09 0.00 2.98 0.00 -1.26 -4.42 105.19 99.74 3i6a n GLY 83 Ca 0.17 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.60 1.67 -3.86 1.61 2.85 -1.26 -4.99 118.16 113.57 3i6a n LYS 84 Ca 0.00 -0.34 -0.09 0.00 -1.05 0.00 0.00 58.31 56.83 3i6a n LYS 84 Cb 0.02 -0.84 0.01 0.00 -0.65 0.00 0.00 35.03 33.57 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 -0.34 0.06 0.25 -5.58 1.47 -1.26 -5.04 116.67 106.23 3i6a s ASP 85 Ca 0.00 -1.09 -0.06 0.00 1.18 0.00 0.00 52.55 52.58 3i6a s ASP 85 Cb 0.00 0.80 0.25 0.00 -0.34 0.00 0.00 42.92 43.63 3i6a s ASP 85 CO 0.00 -1.57 1.91 -0.29 0.68 0.00 0.00 175.17 175.91 3i6a h ILE 86 N 2.02 1.26 -0.32 2.11 2.10 -1.98 -1.45 117.51 121.25 3i6a h ILE 86 Ca -0.29 -0.51 -0.14 0.00 1.08 0.00 0.00 64.86 64.99 3i6a h ILE 86 Cb 1.25 -0.16 -0.01 0.00 -1.09 0.00 0.00 36.82 36.81 3i6a h ILE 86 CO 0.37 0.26 -0.37 0.11 -1.08 0.00 0.00 178.15 177.44 3i6a h LYS 87 N 1.34 0.74 -0.55 2.19 1.57 -2.00 -2.18 116.57 117.68 3i6a h LYS 87 Ca 0.36 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3i6a h LYS 87 Cb -0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3i6a h LYS 87 CO -0.07 0.99 0.16 0.93 -0.57 0.00 0.00 179.45 180.89 3i6a h GLU 88 N 0.62 0.86 -0.82 3.15 5.08 -1.87 -2.52 114.58 119.08 3i6a h GLU 88 Ca 0.06 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3i6a h GLU 88 Cb 0.91 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 3i6a h GLU 88 CO 0.08 0.79 0.54 0.00 -1.00 0.00 0.00 179.01 179.42 3i6a h ARG 89 N 0.77 0.92 -0.37 2.33 3.08 -1.19 0.16 114.38 120.08 3i6a h ARG 89 Ca 0.18 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3i6a h ARG 89 Cb 0.29 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3i6a h ARG 89 CO -0.00 0.61 0.24 0.00 -1.07 0.00 0.00 179.97 179.74 3i6a h ALA 90 N 1.54 0.46 0.03 0.04 0.00 -1.13 0.34 119.26 120.55 3i6a h ALA 90 Ca 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3i6a h ALA 90 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3i6a h ALA 90 CO -0.12 -0.07 -0.01 -0.07 0.00 0.00 0.00 179.25 178.98 3i6a h LEU 91 N 0.49 -0.03 -0.54 0.00 3.38 -1.02 -1.26 115.31 116.32 3i6a h LEU 91 Ca 0.13 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3i6a h LEU 91 Cb -0.04 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3i6a h LEU 91 CO -0.03 0.01 0.28 0.40 0.09 0.00 0.00 178.44 179.19 3i6a h ILE 92 N -0.08 0.95 -0.63 1.22 2.04 -0.47 -1.03 117.51 119.53 3i6a h ILE 92 Ca -0.00 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 3i6a h ILE 92 Cb 0.06 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3i6a h ILE 92 CO 0.01 0.10 0.08 0.44 0.00 0.00 0.00 178.15 178.77 3i6a h ASP 93 N 0.53 1.02 0.19 1.72 3.32 -0.21 -0.29 116.42 122.69 3i6a h ASP 93 Ca 0.24 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3i6a h ASP 93 Cb 0.15 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3i6a h ASP 93 CO -0.17 1.03 -0.09 -0.03 -1.72 0.00 0.00 179.24 178.27 3i6a h MET 94 N 0.96 -0.24 0.35 3.56 4.05 -0.80 -0.30 114.93 122.52 3i6a h MET 94 Ca 0.19 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.61 3i6a h MET 94 Cb 0.47 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 3i6a h MET 94 CO 0.02 -0.11 -0.17 1.88 0.23 0.00 0.00 176.91 178.76 3i6a h TYR 95 N -0.33 -0.44 0.00 1.39 0.05 -1.03 -2.51 116.97 114.10 3i6a h TYR 95 Ca -0.03 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 3i6a h TYR 95 Cb 0.25 0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 3i6a h TYR 95 CO -0.04 -0.27 -0.29 -0.84 -1.05 0.00 0.00 178.16 175.66 3i6a h ILE 96 N -0.48 0.85 -0.22 -2.88 3.07 -1.02 -1.72 117.51 115.11 3i6a h ILE 96 Ca -0.05 -1.16 -0.10 0.00 1.55 0.00 0.00 64.86 65.10 3i6a h ILE 96 Cb 0.37 1.70 -0.01 0.00 -0.27 0.00 0.00 36.82 38.61 3i6a h ILE 96 CO 0.08 0.28 -0.31 -0.33 -1.05 0.00 0.00 178.15 176.83 3i6a h GLU 97 N 0.00 0.45 -0.55 0.16 4.39 -0.88 0.10 114.58 118.25 3i6a h GLU 97 Ca -0.00 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.41 3i6a h GLU 97 Cb 0.68 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 3i6a h GLU 97 CO 0.04 0.71 -0.05 0.78 -1.16 0.00 0.00 179.01 179.33 3i6a h GLY 98 N 1.06 1.06 0.90 -3.84 0.00 -0.92 -1.84 103.07 99.49 3i6a h GLY 98 Ca 0.05 -0.79 -0.06 0.00 0.00 0.00 0.00 47.33 46.53 3i6a h GLY 98 CO 0.06 0.73 -0.02 -2.22 0.00 0.00 0.00 176.54 175.09 3i6a h ILE 99 N 0.89 1.26 -0.96 2.60 2.04 -0.98 -2.47 117.51 119.89 3i6a h ILE 99 Ca 0.15 -1.00 0.13 0.00 1.00 0.00 0.00 64.86 65.14 3i6a h ILE 99 Cb 0.58 1.28 -0.09 0.00 -0.74 0.00 0.00 36.82 37.85 3i6a h ILE 99 CO 0.04 0.32 0.59 0.00 0.00 0.00 0.00 178.15 179.10 3i6a h ALA 100 N 0.83 1.47 -0.42 1.87 0.00 -0.74 0.31 119.26 122.58 3i6a h ALA 100 Ca 0.09 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3i6a h ALA 100 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3i6a h ALA 100 CO 0.02 0.14 -0.06 -0.44 0.00 0.00 0.00 179.25 178.90 3i6a h ASP 101 N 0.90 0.78 -0.21 0.00 3.32 -1.05 0.80 116.42 120.95 3i6a h ASP 101 Ca 0.49 -0.34 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 3i6a h ASP 101 Cb 0.55 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3i6a h ASP 101 CO -0.29 0.94 -0.36 0.25 -1.72 0.00 0.00 179.24 178.06 3i6a h LEU 102 N 0.61 0.69 -0.40 1.55 5.85 -1.29 -3.14 115.31 119.19 3i6a h LEU 102 Ca 0.11 -0.53 0.07 0.00 0.84 0.00 0.00 57.88 58.37 3i6a h LEU 102 Cb 0.58 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 3i6a h LEU 102 CO 0.03 1.09 -0.01 1.23 -0.34 0.00 0.00 178.44 180.44 3i6a h GLY 103 N 0.31 0.39 0.03 3.75 0.00 -0.26 -2.15 103.07 105.14 3i6a h GLY 103 Ca 0.02 0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.52 3i6a h GLY 103 CO 0.08 -0.10 -0.00 -2.09 0.00 0.00 0.00 176.54 174.42 3i6a h GLU 104 N 0.09 0.11 -0.76 4.80 4.57 -0.87 0.55 114.58 123.07 3i6a h GLU 104 Ca 0.19 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 3i6a h GLU 104 Cb 0.28 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 3i6a h GLU 104 CO -0.33 0.07 0.44 0.52 -1.18 0.00 0.00 179.01 178.53 3i6a h MET 105 N 0.11 1.04 -0.52 1.92 2.86 -1.34 0.61 114.93 119.61 3i6a h MET 105 Ca 0.29 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3i6a h MET 105 Cb 0.46 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3i6a h MET 105 CO -0.49 0.76 0.23 0.82 1.06 0.00 0.00 176.91 179.29 3i6a h ILE 106 N 1.04 1.21 -0.48 -1.22 2.04 -1.03 -1.50 117.51 117.57 3i6a h ILE 106 Ca 0.27 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 3i6a h ILE 106 Cb -0.00 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3i6a h ILE 106 CO -0.05 0.24 0.13 0.40 0.00 0.00 0.00 178.15 178.87 3i6a h ILE 107 N 0.70 1.23 0.00 -0.67 2.04 -0.26 -2.91 117.51 117.64 3i6a h ILE 107 Ca 0.18 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 3i6a h ILE 107 Cb 0.16 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3i6a h ILE 107 CO -0.02 0.29 -0.31 0.24 0.00 0.00 0.00 178.15 178.36 3i6a h MET 108 N 0.65 0.00 -0.78 2.37 2.86 -0.84 -3.37 114.93 115.81 3i6a h MET 108 Ca 0.15 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.90 3i6a h MET 108 Cb 0.31 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.89 3i6a h MET 108 CO -0.00 0.31 0.40 1.25 1.06 0.00 0.00 176.91 179.93 3i6a h LEU 109 N 0.00 0.52 -1.02 1.22 5.85 -1.06 -1.81 115.31 119.01 3i6a h LEU 109 Ca -0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3i6a h LEU 109 Cb 0.78 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3i6a h LEU 109 CO 0.04 0.27 0.00 -0.65 -0.34 0.00 0.00 178.44 177.76 3i6a h PRO 110 N 0.65 0.00 -0.01 5.25 0.11 -1.76 -2.89 132.00 133.34 3i6a h PRO 110 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3i6a h PRO 110 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3i6a h PRO 110 CO -0.30 0.00 -0.44 1.19 -0.21 0.00 0.00 178.00 178.24 3i6a n PHE 111 N -2.46 0.00 -2.59 0.65 3.72 -0.68 -4.96 117.46 111.13 3i6a n PHE 111 Ca 0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 3i6a n PHE 111 Cb 0.22 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 3i6a n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i6a n PRO 113 N -0.99 1.62 -0.31 0.00 -0.02 -1.26 -4.82 135.00 129.23 3i6a n PRO 113 Ca 0.08 0.57 0.16 0.00 -2.02 0.00 0.00 63.50 62.29 3i6a n PRO 113 Cb 0.53 -2.08 0.33 0.00 -0.02 0.00 0.00 33.50 32.26 3i6a n PRO 113 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3i6a h PRO 114 N 2.96 0.20 0.00 0.52 0.11 -1.96 0.14 132.00 133.98 3i6a h PRO 114 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i6a h PRO 114 Cb 1.31 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3i6a h PRO 114 CO 0.67 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 3i6a n GLU 115 N -5.21 0.12 -0.00 1.05 0.00 -1.26 -2.41 120.64 112.92 3i6a n GLU 115 Ca 0.24 0.45 0.10 0.00 0.00 0.00 0.00 57.16 57.96 3i6a n GLU 115 Cb 0.76 -1.77 -0.11 0.00 0.00 0.00 0.00 31.44 30.32 3i6a n GLU 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3i6a n GLU 116 N -2.00 0.21 -0.10 3.44 1.02 0.03 -4.65 120.64 118.59 3i6a n GLU 116 Ca 0.01 -0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.02 3i6a n GLU 116 Cb 0.14 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3i6a n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3i6a h LYS 117 N 0.00 0.37 -0.37 3.49 3.64 -1.39 -0.40 116.57 121.91 3i6a h LYS 117 Ca 0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3i6a h LYS 117 Cb 0.66 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 3i6a h LYS 117 CO 0.00 0.24 0.16 -0.44 -2.27 0.00 0.00 179.45 177.15 3i6a h ASP 118 N 0.38 0.22 -0.33 4.20 3.32 -1.82 0.11 116.42 122.50 3i6a h ASP 118 Ca 0.14 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3i6a h ASP 118 Cb 0.04 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3i6a h ASP 118 CO -0.09 0.17 0.14 0.00 -1.72 0.00 0.00 179.24 177.74 3i6a h ALA 119 N 1.21 0.43 -0.35 3.45 0.00 -1.76 -1.18 119.26 121.06 3i6a h ALA 119 Ca 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3i6a h ALA 119 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i6a h ALA 119 CO -0.13 0.02 -0.02 0.87 0.00 0.00 0.00 179.25 179.98 3i6a h LYS 120 N 0.38 0.63 -0.63 0.00 1.57 -0.56 -2.19 116.57 115.78 3i6a h LYS 120 Ca 0.11 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3i6a h LYS 120 Cb 0.17 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3i6a h LYS 120 CO -0.01 0.76 0.25 1.25 -0.57 0.00 0.00 179.45 181.13 3i6a h LEU 121 N 0.43 0.88 -1.07 2.94 5.85 -0.75 -1.28 115.31 122.31 3i6a h LEU 121 Ca 0.10 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3i6a h LEU 121 Cb 0.49 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3i6a h LEU 121 CO 0.02 0.81 0.63 0.00 -0.34 0.00 0.00 178.44 179.56 3i6a h ALA 122 N 1.10 1.33 -0.43 1.25 0.00 -1.11 -0.97 119.26 120.44 3i6a h ALA 122 Ca 0.21 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3i6a h ALA 122 Cb 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i6a h ALA 122 CO -0.02 0.62 -0.25 1.25 0.00 0.00 0.00 179.25 180.84 3i6a h LEU 123 N 1.28 0.97 -0.60 0.00 5.85 -0.90 -1.00 115.31 120.90 3i6a h LEU 123 Ca 0.35 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3i6a h LEU 123 Cb -0.13 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.61 3i6a h LEU 123 CO -0.08 1.18 0.36 0.40 -0.34 0.00 0.00 178.44 179.96 3i6a h ILE 124 N 0.76 1.18 -0.76 4.05 2.04 -0.93 -0.84 117.51 123.00 3i6a h ILE 124 Ca 0.09 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 3i6a h ILE 124 Cb 0.83 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3i6a h ILE 124 CO 0.07 0.18 0.33 0.11 0.00 0.00 0.00 178.15 178.84 3i6a h LYS 125 N 0.81 1.12 -0.42 2.37 1.57 -1.05 0.39 116.57 121.36 3i6a h LYS 125 Ca 0.21 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3i6a h LYS 125 Cb -0.02 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3i6a h LYS 125 CO -0.04 0.89 0.15 1.49 -0.57 0.00 0.00 179.45 181.37 3i6a h GLU 126 N 1.10 0.64 -0.44 3.15 4.22 -0.99 -1.81 114.58 120.45 3i6a h GLU 126 Ca 0.26 -0.13 -0.14 0.00 0.08 0.00 0.00 59.36 59.43 3i6a h GLU 126 Cb 0.17 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3i6a h GLU 126 CO -0.03 0.62 -0.27 0.87 -2.18 0.00 0.00 179.01 178.02 3i6a h LYS 127 N 0.53 0.96 0.06 1.92 1.57 -0.79 0.98 116.57 121.81 3i6a h LYS 127 Ca 0.14 -0.45 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3i6a h LYS 127 Cb 0.23 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 3i6a h LYS 127 CO -0.01 1.11 -0.35 0.82 -0.57 0.00 0.00 179.45 180.46 3i6a h ILE 128 N 0.80 0.27 -0.32 1.86 2.04 -0.90 0.36 117.51 121.62 3i6a h ILE 128 Ca 0.09 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.81 3i6a h ILE 128 Cb 0.86 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3i6a h ILE 128 CO 0.08 0.00 -0.33 0.50 0.00 0.00 0.00 178.15 178.39 3i6a h LYS 129 N -0.54 0.79 0.00 2.37 1.63 -1.26 0.10 116.57 119.66 3i6a h LYS 129 Ca 0.04 -0.42 -0.05 0.00 -0.85 0.00 0.00 60.65 59.37 3i6a h LYS 129 Cb 0.60 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 3i6a h LYS 129 CO -0.24 1.05 -1.85 0.09 -3.45 0.00 0.00 179.45 175.05 3i6a n ASN 130 N -4.18 0.18 0.03 4.20 3.02 0.33 -4.37 115.26 114.47 3i6a n ASN 130 Ca -0.03 0.07 -0.01 0.00 -0.03 0.00 0.00 54.58 54.58 3i6a n ASN 130 Cb 0.50 1.55 -0.00 0.00 -0.61 0.00 0.00 39.78 41.22 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 -2.41 0.05 -0.08 3.52 0.63 0.99 -4.78 116.66 114.58 3i6a n ARG 131 Ca -0.07 0.02 -0.18 0.00 -0.92 0.00 0.00 57.85 56.71 3i6a n ARG 131 Cb 0.64 -0.60 -0.12 0.00 0.45 0.00 0.00 32.46 32.83 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 -0.10 0.03 -0.22 -0.14 0.05 -0.79 -2.91 116.97 112.89 3i6a h TYR 132 Ca -0.01 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 3i6a h TYR 132 Cb 0.20 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3i6a h TYR 132 CO -0.04 1.25 0.12 0.74 -1.05 0.00 0.00 178.16 179.19 3i6a h PHE 133 N -0.96 0.30 -0.86 4.88 -1.00 -1.00 -1.93 116.94 116.37 3i6a h PHE 133 Ca -0.18 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.71 3i6a h PHE 133 Cb 1.18 -0.10 -0.06 0.00 3.61 0.00 0.00 35.95 40.58 3i6a h PHE 133 CO 0.19 0.26 0.56 -1.35 -1.61 0.00 0.00 178.31 176.36 3i6a h PRO 134 N 0.25 0.75 -0.14 1.51 0.11 -1.74 -0.22 132.00 132.54 3i6a h PRO 134 Ca 0.08 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3i6a h PRO 134 Cb 0.06 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3i6a h PRO 134 CO -0.01 0.50 0.08 0.00 -0.21 0.00 0.00 178.00 178.36 3i6a h ALA 135 N 1.58 0.18 -0.01 -0.75 0.00 -1.22 -1.05 119.26 117.99 3i6a h ALA 135 Ca 0.41 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.11 3i6a h ALA 135 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i6a h ALA 135 CO -0.18 -0.31 -0.80 0.74 0.00 0.00 0.00 179.25 178.71 3i6a h PHE 136 N 0.15 0.25 -0.57 0.00 0.04 -0.81 -2.51 116.94 113.50 3i6a h PHE 136 Ca 0.05 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.59 3i6a h PHE 136 Cb 0.03 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3i6a h PHE 136 CO -0.05 0.90 -0.04 1.49 -0.60 0.00 0.00 178.31 180.01 3i6a h GLU 137 N 0.11 1.02 -0.82 1.51 4.57 -0.93 -2.31 114.58 117.74 3i6a h GLU 137 Ca -0.03 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 57.83 3i6a h GLU 137 Cb 1.39 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.85 3i6a h GLU 137 CO 0.12 1.02 0.54 -0.22 -1.18 0.00 0.00 179.01 179.29 3i6a h LYS 138 N 0.93 1.06 -0.06 1.92 3.64 -1.08 0.36 116.57 123.33 3i6a h LYS 138 Ca 0.16 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3i6a h LYS 138 Cb 0.59 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3i6a h LYS 138 CO 0.04 0.70 0.04 0.28 -2.27 0.00 0.00 179.45 178.23 3i6a h VAL 139 N 1.09 1.04 -0.51 2.00 2.07 -1.13 -0.19 116.25 120.62 3i6a h VAL 139 Ca 0.30 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 3i6a h VAL 139 Cb -0.10 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3i6a h VAL 139 CO -0.08 0.04 0.08 -0.07 0.02 0.00 0.00 177.57 177.56 3i6a h LEU 140 N 0.06 0.82 -0.98 2.57 3.38 -0.96 -2.93 115.31 117.27 3i6a h LEU 140 Ca 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3i6a h LEU 140 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3i6a h LEU 140 CO -0.00 0.88 0.32 0.50 0.09 0.00 0.00 178.44 180.23 3i6a h LYS 141 N 0.73 1.05 -0.38 1.13 1.63 -0.16 0.22 116.57 120.80 3i6a h LYS 141 Ca 0.15 -0.16 -0.13 0.00 -0.85 0.00 0.00 60.65 59.66 3i6a h LYS 141 Cb 0.41 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 3i6a h LYS 141 CO 0.01 0.83 -0.29 0.77 -3.45 0.00 0.00 179.45 177.33 3i6a h SER 142 N 1.04 0.84 0.00 4.20 0.02 -0.84 -3.31 113.55 115.50 3i6a h SER 142 Ca 0.25 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3i6a h SER 142 Cb 0.15 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3i6a h SER 142 CO -0.03 1.07 -1.39 0.00 -1.14 0.00 0.00 176.83 175.34 3i6a n HIS 143 N -4.09 0.00 -1.05 3.45 1.44 -1.16 -5.01 115.22 108.80 3i6a n HIS 143 Ca -0.01 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 3i6a n HIS 143 Cb 0.48 -0.24 -0.01 0.00 0.12 0.00 0.00 29.99 30.34 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 1.47 0.37 3.95 -1.39 0.00 0.06 -4.99 105.19 104.67 3i6a n GLY 144 Ca -0.01 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.42 3.11 0.23 1.61 -0.21 -1.26 -5.01 119.66 116.71 3i6a s GLN 145 Ca 0.00 -0.52 0.25 0.00 0.02 0.00 0.00 55.36 55.11 3i6a s GLN 145 Cb 0.00 -2.59 0.87 0.00 1.00 0.00 0.00 33.01 32.29 3i6a s GLN 145 CO 0.00 -0.21 1.76 -0.25 -2.12 0.00 0.00 175.29 174.47 3i6a n ASP 146 N -2.02 0.79 -4.22 5.90 8.00 -1.26 -4.80 116.55 118.94 3i6a n ASP 146 Ca 0.01 0.61 -0.21 0.00 0.71 0.00 0.00 54.79 55.91 3i6a n ASP 146 Cb 0.58 -0.81 -0.12 0.00 -0.02 0.00 0.00 41.12 40.74 3i6a n ASP 146 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i6a s TYR 147 N -3.18 1.47 0.18 1.24 2.02 -1.26 -4.93 117.35 112.88 3i6a s TYR 147 Ca 0.08 -0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 56.23 3i6a s TYR 147 Cb 0.11 -0.82 0.08 0.00 -0.40 0.00 0.00 41.96 40.94 3i6a s TYR 147 CO 0.53 0.12 1.72 -0.07 -1.57 0.00 0.00 175.55 176.28 3i6a h LEU 148 N 4.22 0.87 -8.02 -1.29 3.38 -1.87 -3.41 115.31 109.19 3i6a h LEU 148 Ca -0.43 -0.19 -0.38 0.00 0.09 0.00 0.00 57.88 56.97 3i6a h LEU 148 Cb 1.19 -0.23 -0.29 0.00 0.09 0.00 0.00 40.66 41.42 3i6a h LEU 148 CO 0.40 0.82 -0.78 -0.69 0.09 0.00 0.00 178.44 178.29 3i6a s VAL 149 N -5.49 0.67 -0.22 1.22 1.01 -1.26 -4.85 120.40 111.47 3i6a s VAL 149 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3i6a s VAL 149 Cb 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.95 3i6a s VAL 149 CO 0.81 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.70 3i6a n GLY 150 N 2.87 0.43 3.69 4.51 0.00 -1.26 -2.98 105.19 112.45 3i6a n GLY 150 Ca -0.13 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.37 -4.29 -3.51 1.61 5.15 -1.26 -4.96 115.26 107.63 3i6a n ASN 151 Ca -0.02 -0.63 -0.13 0.00 -0.60 0.00 0.00 54.58 53.20 3i6a n ASN 151 Cb 0.28 -3.48 -0.04 0.00 -0.53 0.00 0.00 39.78 36.01 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 -6.37 0.96 0.03 1.20 -2.85 -1.16 -4.90 119.74 106.65 3i6a s LYS 152 Ca 0.55 -0.02 -0.37 0.00 -1.00 0.00 0.00 55.97 55.13 3i6a s LYS 152 Cb -0.29 0.45 -0.16 0.00 -2.06 0.00 0.00 37.83 35.77 3i6a s LYS 152 CO 0.68 -0.35 1.46 -0.11 0.10 0.00 0.00 175.35 177.13 3i6a n LEU 153 N 0.38 2.04 -4.43 2.77 7.94 -1.26 -4.61 117.00 119.84 3i6a n LEU 153 Ca -0.15 1.10 -0.23 0.00 -1.11 0.00 0.00 56.01 55.62 3i6a n LEU 153 Cb 0.60 -1.22 -0.08 0.00 0.53 0.00 0.00 43.42 43.24 3i6a n LEU 153 CO 0.17 -0.80 -0.18 -0.94 -1.11 0.00 0.00 177.39 174.53 3i6a s SER 154 N 1.18 2.30 0.53 1.96 1.04 -1.26 -4.81 113.70 114.63 3i6a s SER 154 Ca 0.86 -1.66 0.18 0.00 0.48 0.00 0.00 55.95 55.82 3i6a s SER 154 Cb -0.92 0.48 1.34 0.00 0.10 0.00 0.00 66.02 67.02 3i6a s SER 154 CO 0.49 -0.94 2.15 0.08 0.98 0.00 0.00 173.24 176.00 3i6a h ARG 155 N 1.95 0.00 -0.59 4.02 0.11 -0.89 -2.10 114.38 116.88 3i6a h ARG 155 Ca -0.33 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.72 3i6a h ARG 155 Cb 1.26 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.31 3i6a h ARG 155 CO 0.52 0.00 0.24 0.00 0.10 0.00 0.00 179.97 180.83 3i6a h ALA 156 N 1.98 1.31 -0.36 0.08 0.00 -1.90 0.43 119.26 120.81 3i6a h ALA 156 Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3i6a h ALA 156 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i6a h ALA 156 CO -0.00 0.51 0.08 -0.44 0.00 0.00 0.00 179.25 179.40 3i6a h ASP 157 N 0.84 0.55 0.21 0.00 3.32 -1.78 -1.12 116.42 118.44 3i6a h ASP 157 Ca 0.20 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3i6a h ASP 157 Cb 0.16 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3i6a h ASP 157 CO -0.02 0.65 -0.10 0.40 -1.72 0.00 0.00 179.24 178.46 3i6a h ILE 158 N 0.43 0.87 -0.67 0.35 1.08 -1.39 -1.05 117.51 117.13 3i6a h ILE 158 Ca 0.11 -0.39 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 3i6a h ILE 158 Cb 0.32 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 3i6a h ILE 158 CO 0.00 0.09 0.31 0.45 -0.69 0.00 0.00 178.15 178.32 3i6a h HIS 159 N -0.47 0.94 -0.18 1.37 3.86 -0.12 -1.17 115.15 119.38 3i6a h HIS 159 Ca -0.03 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 3i6a h HIS 159 Cb 0.36 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3i6a h HIS 159 CO -0.01 0.69 -0.12 1.25 0.86 0.00 0.00 177.93 180.61 3i6a h LEU 160 N 0.94 0.41 -0.80 2.43 5.85 -1.09 -2.58 115.31 120.48 3i6a h LEU 160 Ca 0.23 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3i6a h LEU 160 Cb 0.11 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3i6a h LEU 160 CO -0.03 0.76 0.41 0.58 -0.34 0.00 0.00 178.44 179.83 3i6a h VAL 161 N 0.07 1.24 -0.50 1.05 2.07 -0.98 0.24 116.25 119.44 3i6a h VAL 161 Ca 0.04 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 67.00 3i6a h VAL 161 Cb 0.62 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3i6a h VAL 161 CO 0.03 0.28 0.13 -0.08 0.02 0.00 0.00 177.57 177.95 3i6a h GLU 162 N 1.11 0.28 -0.40 1.57 4.81 -1.19 -1.28 114.58 119.47 3i6a h GLU 162 Ca 0.28 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3i6a h GLU 162 Cb 0.07 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3i6a h GLU 162 CO -0.04 0.18 0.13 1.25 -0.73 0.00 0.00 179.01 179.80 3i6a h LEU 163 N 0.28 0.52 -1.01 1.64 5.85 -0.92 -2.25 115.31 119.42 3i6a h LEU 163 Ca 0.25 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 3i6a h LEU 163 Cb 0.31 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3i6a h LEU 163 CO -0.29 0.50 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.96 3i6a h LEU 164 N 0.57 0.38 -0.90 2.25 3.38 0.16 -1.36 115.31 119.79 3i6a h LEU 164 Ca 0.14 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3i6a h LEU 164 Cb 0.17 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3i6a h LEU 164 CO -0.01 0.65 0.59 1.88 0.09 0.00 0.00 178.44 181.64 3i6a h TYR 165 N 0.33 1.13 -0.28 1.13 0.05 -0.79 -0.26 116.97 118.29 3i6a h TYR 165 Ca 0.05 0.02 -0.17 0.00 0.05 0.00 0.00 58.73 58.68 3i6a h TYR 165 Cb 0.66 -0.38 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 3i6a h TYR 165 CO 0.02 0.72 -0.50 1.88 -1.05 0.00 0.00 178.16 179.22 3i6a h TYR 166 N 1.22 0.96 -0.72 4.88 0.05 -1.19 -2.56 116.97 119.61 3i6a h TYR 166 Ca 0.33 -0.33 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 3i6a h TYR 166 Cb -0.14 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.38 3i6a h TYR 166 CO -0.01 1.12 0.28 0.28 -1.05 0.00 0.00 178.16 178.78 3i6a h VAL 167 N 0.61 1.25 -0.96 -2.88 2.07 -1.09 -1.66 116.25 113.60 3i6a h VAL 167 Ca 0.02 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.82 3i6a h VAL 167 Cb 1.08 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 3i6a h VAL 167 CO 0.11 0.32 0.61 -0.08 0.02 0.00 0.00 177.57 178.55 3i6a h GLU 168 N 1.04 1.03 -0.60 1.57 4.81 -0.96 0.68 114.58 122.16 3i6a h GLU 168 Ca 0.24 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 3i6a h GLU 168 Cb 0.23 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3i6a h GLU 168 CO -0.02 0.68 -0.01 0.93 -0.73 0.00 0.00 179.01 179.86 3i6a h GLU 169 N 1.06 1.06 0.53 1.92 5.08 -0.96 -3.07 114.58 120.20 3i6a h GLU 169 Ca 0.43 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3i6a h GLU 169 Cb 0.26 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.42 3i6a h GLU 169 CO -0.20 1.04 -0.26 1.25 -1.00 0.00 0.00 179.01 179.84 3i6a h LEU 170 N 0.96 -0.61 -6.01 1.33 6.46 -0.90 -3.45 115.31 113.10 3i6a h LEU 170 Ca 0.17 -0.03 0.10 0.00 -0.12 0.00 0.00 57.88 58.00 3i6a h LEU 170 Cb 0.57 0.16 -0.21 0.00 -0.73 0.00 0.00 40.66 40.45 3i6a h LEU 170 CO 0.03 -0.34 -0.24 -0.62 -0.62 0.00 0.00 178.44 176.65 3i6a s ASP 171 N -4.64 -1.32 0.31 1.25 -1.08 0.19 -5.03 116.67 106.34 3i6a s ASP 171 Ca -0.16 0.85 0.24 0.00 -0.52 0.00 0.00 52.55 52.96 3i6a s ASP 171 Cb 0.03 2.12 1.12 0.00 -1.46 0.00 0.00 42.92 44.72 3i6a s ASP 171 CO 0.58 -0.25 1.72 0.77 0.52 0.00 0.00 175.17 178.51 3i6a h SER 172 N 8.00 0.00 0.57 -0.34 4.64 -1.74 -1.91 113.55 122.77 3i6a h SER 172 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 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 0.23 0.00 -0.62 -1.54 -0.87 0.00 0.00 176.83 174.03 3i6a n SER 173 N -2.30 0.58 -0.08 4.97 3.41 -1.26 -4.31 113.62 114.62 3i6a n SER 173 Ca 0.00 -0.17 0.04 0.00 -0.26 0.00 0.00 58.87 58.48 3i6a n SER 173 Cb 0.15 0.32 0.37 0.00 -0.26 0.00 0.00 64.21 64.80 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 0.59 0.00 1.04 3.38 -1.67 -1.19 115.31 117.46 3i6a h LEU 174 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i6a h LEU 174 Cb 0.60 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i6a h LEU 174 CO 0.00 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3i6a n ILE 175 N -4.46 0.21 -0.10 1.22 3.06 -1.26 -4.39 119.36 113.64 3i6a n ILE 175 Ca 0.05 0.05 0.05 0.00 -2.50 0.00 0.00 62.75 60.41 3i6a n ILE 175 Cb 0.08 -0.63 0.39 0.00 0.54 0.00 0.00 39.64 40.02 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 0.00 0.57 -0.33 9.51 4.64 -1.46 -0.11 113.55 126.37 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 0.31 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3i6a h SER 176 CO 0.00 0.39 0.00 -1.20 -0.87 0.00 0.00 176.83 175.15 3i6a n SER 177 N -4.47 2.30 -3.42 4.97 7.64 -1.26 -4.58 113.62 114.80 3i6a n SER 177 Ca 0.07 -2.13 -0.26 0.00 1.01 0.00 0.00 58.87 57.55 3i6a n SER 177 Cb 0.15 -0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.93 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 0.46 2.32 0.24 1.43 3.72 -0.06 -4.97 117.46 120.60 3i6a n PHE 178 Ca 0.12 -3.98 0.07 0.00 -0.05 0.00 0.00 57.45 53.62 3i6a n PHE 178 Cb 0.42 -0.47 0.57 0.00 -0.94 0.00 0.00 39.48 39.06 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 4.36 0.00 -0.07 -1.08 0.13 -1.81 -1.47 132.00 132.06 3i6a h PRO 179 Ca 0.16 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.13 3i6a h PRO 179 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3i6a h PRO 179 CO 0.70 0.16 -0.68 -0.07 -0.23 0.00 0.00 178.00 177.88 3i6a h LEU 180 N 0.00 0.35 -0.31 1.56 3.38 -1.94 -0.87 115.31 117.48 3i6a h LEU 180 Ca -0.00 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 3i6a h LEU 180 Cb 0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3i6a h LEU 180 CO 0.02 0.93 -0.17 -0.07 0.09 0.00 0.00 178.44 179.24 3i6a h LEU 181 N 0.21 0.69 -0.71 1.67 3.38 -1.67 0.40 115.31 119.28 3i6a h LEU 181 Ca -0.02 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.62 3i6a h LEU 181 Cb 1.22 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 3i6a h LEU 181 CO 0.11 0.95 0.37 0.11 0.09 0.00 0.00 178.44 180.08 3i6a h LYS 182 N 0.42 0.63 -0.21 1.13 1.57 -1.17 0.31 116.57 119.25 3i6a h LYS 182 Ca 0.07 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 3i6a h LYS 182 Cb 0.70 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.88 3i6a h LYS 182 CO 0.05 0.42 -0.68 0.00 -0.57 0.00 0.00 179.45 178.66 3i6a h ALA 183 N 1.41 0.40 -0.49 3.86 0.00 -0.89 -2.57 119.26 120.97 3i6a h ALA 183 Ca 0.34 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3i6a h ALA 183 Cb 0.32 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3i6a h ALA 183 CO -0.24 0.69 0.23 1.25 0.00 0.00 0.00 179.25 181.17 3i6a h LEU 184 N 0.58 0.31 -0.55 0.00 5.85 -0.52 -2.08 115.31 118.90 3i6a h LEU 184 Ca -0.02 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3i6a h LEU 184 Cb 1.30 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 3i6a h LEU 184 CO 0.14 0.21 0.29 0.50 -0.34 0.00 0.00 178.44 179.24 3i6a h LYS 185 N 0.45 0.53 -0.17 1.25 3.64 -0.74 -1.56 116.57 119.96 3i6a h LYS 185 Ca 0.22 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3i6a h LYS 185 Cb 0.16 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3i6a h LYS 185 CO -0.18 0.35 0.06 1.15 -2.27 0.00 0.00 179.45 178.56 3i6a h THR 186 N 0.55 1.18 0.44 1.00 2.02 -1.33 -0.84 112.91 115.93 3i6a h THR 186 Ca 0.25 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3i6a h THR 186 Cb 0.16 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3i6a h THR 186 CO -0.17 0.17 -0.27 0.03 0.37 0.00 0.00 175.52 175.65 3i6a h ARG 187 N 0.11 -0.66 -0.64 6.66 3.08 -1.10 -1.34 114.38 120.48 3i6a h ARG 187 Ca 0.06 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3i6a h ARG 187 Cb 0.21 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 3i6a h ARG 187 CO -0.00 -0.44 0.25 0.82 -1.07 0.00 0.00 179.97 179.53 3i6a h ILE 188 N -0.68 1.24 -0.23 2.04 1.08 -1.32 -1.86 117.51 117.77 3i6a h ILE 188 Ca -0.05 -0.75 0.07 0.00 -0.39 0.00 0.00 64.86 63.74 3i6a h ILE 188 Cb 0.56 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 3i6a h ILE 188 CO 0.05 0.30 0.18 0.28 -0.69 0.00 0.00 178.15 178.26 3i6a h SER 189 N 0.91 0.00 0.63 1.72 0.02 -1.02 -1.99 113.55 113.81 3i6a h SER 189 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3i6a h SER 189 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3i6a h SER 189 CO -0.02 0.00 -0.18 0.59 -1.14 0.00 0.00 176.83 176.08 3i6a n ASN 190 N -4.34 0.31 -4.73 3.07 3.02 -0.52 -2.46 115.26 109.61 3i6a n ASN 190 Ca 0.03 -0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.06 3i6a n ASN 190 Cb 0.32 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 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 -2.81 4.36 0.24 3.41 1.43 -0.75 -4.73 118.68 119.83 3i6a s LEU 191 Ca 0.18 2.90 -0.07 0.00 -1.03 0.00 0.00 54.13 56.12 3i6a s LEU 191 Cb 0.19 -3.62 0.43 0.00 0.03 0.00 0.00 46.19 43.22 3i6a s LEU 191 CO 0.56 -0.95 1.64 -0.65 0.23 0.00 0.00 176.35 177.18 3i6a h PRO 192 N 5.94 0.11 -0.69 1.29 0.11 -1.89 0.15 132.00 137.01 3i6a h PRO 192 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3i6a h PRO 192 Cb 1.21 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3i6a h PRO 192 CO 0.89 0.07 0.30 1.79 -0.21 0.00 0.00 178.00 180.84 3i6a h THR 193 N 0.11 1.24 -0.17 -1.15 1.35 -1.87 -2.04 112.91 110.38 3i6a h THR 193 Ca 0.41 -0.71 -0.15 0.00 -0.55 0.00 0.00 66.41 65.41 3i6a h THR 193 Cb 0.71 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3i6a h THR 193 CO -0.65 0.29 -0.46 0.58 -0.25 0.00 0.00 175.52 175.03 3i6a h VAL 194 N 0.98 1.33 -0.62 6.82 2.07 -1.42 -2.11 116.25 123.31 3i6a h VAL 194 Ca 0.23 -1.72 0.12 0.00 0.82 0.00 0.00 66.70 66.15 3i6a h VAL 194 Cb 0.17 1.96 -0.09 0.00 -1.52 0.00 0.00 31.29 31.81 3i6a h VAL 194 CO -0.02 0.53 0.15 0.50 0.02 0.00 0.00 177.57 178.74 3i6a h LYS 195 N 0.28 0.27 -0.50 1.57 3.64 -0.45 0.17 116.57 121.56 3i6a h LYS 195 Ca -0.01 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3i6a h LYS 195 Cb 1.08 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 3i6a h LYS 195 CO 0.10 0.18 0.05 -0.22 -2.27 0.00 0.00 179.45 177.29 3i6a h LYS 196 N 0.28 0.85 0.00 1.90 3.64 -1.30 -2.50 116.57 119.44 3i6a h LYS 196 Ca 0.33 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3i6a h LYS 196 Cb 0.48 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3i6a h LYS 196 CO -0.40 0.86 -0.16 0.35 -2.27 0.00 0.00 179.45 177.84 3i6a h PHE 197 N 0.72 0.00 0.00 1.91 3.57 -0.59 -2.23 116.94 120.32 3i6a h PHE 197 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3i6a h PHE 197 Cb 0.45 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 3i6a h PHE 197 CO 0.03 0.16 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.15 3i6a h LEU 198 N 0.00 0.00-10.25 0.59 3.38 -0.67 -3.41 115.31 104.95 3i6a h LEU 198 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.46 3i6a h LEU 198 Cb 0.28 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.12 3i6a h LEU 198 CO 0.02 0.04 0.37 -1.10 0.09 0.00 0.00 178.44 177.86 3i6a s GLN 199 N -3.19 2.96 0.52 1.13 -0.21 -0.84 -4.99 119.66 115.04 3i6a s GLN 199 Ca 0.07 1.16 -0.20 0.00 0.02 0.00 0.00 55.36 56.40 3i6a s GLN 199 Cb 0.05 -1.99 -0.08 0.00 1.00 0.00 0.00 33.01 31.99 3i6a s GLN 199 CO 0.68 -1.09 0.82 -2.30 -2.12 0.00 0.00 175.29 171.28 3i6a n PRO 200 N -2.64 0.90 -0.70 2.91 -0.02 -1.26 -3.24 135.00 130.95 3i6a n PRO 200 Ca 0.09 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3i6a n PRO 200 Cb 0.53 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 1.43 1.22 3.74 -1.23 0.00 -1.26 -5.06 105.19 104.04 3i6a n GLY 201 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.13 2.05 0.00 1.61 1.04 -1.20 -4.96 113.70 109.12 3i6a s SER 202 Ca 0.00 0.55 0.16 0.00 0.48 0.00 0.00 55.95 57.14 3i6a s SER 202 Cb 0.00 -0.77 0.85 0.00 0.10 0.00 0.00 66.02 66.20 3i6a s SER 202 CO 0.00 -3.42 1.44 -2.65 0.98 0.00 0.00 173.24 169.59 3i6a n PRO 203 N -4.27 0.30 -1.64 4.02 -0.02 -1.26 -4.83 135.00 127.29 3i6a n PRO 203 Ca 0.13 0.10 -0.48 0.00 -2.02 0.00 0.00 63.50 61.23 3i6a n PRO 203 Cb 0.59 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.22 1.79 -3.89 -0.52 0.63 -1.26 -4.97 116.66 107.23 3i6a n ARG 204 Ca 0.09 0.65 -0.31 0.00 -0.92 0.00 0.00 57.85 57.35 3i6a n ARG 204 Cb 0.11 -2.37 -0.04 0.00 0.45 0.00 0.00 32.46 30.61 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 0.76 3.46 0.92 -0.14 -0.14 -1.26 -5.01 119.74 118.33 3i6a s LYS 205 Ca 0.81 -0.38 -0.13 0.00 -1.36 0.00 0.00 55.97 54.91 3i6a s LYS 205 Cb -0.78 -3.03 0.14 0.00 -1.68 0.00 0.00 37.83 32.49 3i6a s LYS 205 CO 0.41 0.60 1.16 -1.25 -0.76 0.00 0.00 175.35 175.51 3i6a s PRO 206 N -2.44 1.06 0.61 -1.68 0.04 -1.26 -4.82 135.00 126.51 3i6a s PRO 206 Ca 0.35 0.18 -0.19 0.00 0.04 0.00 0.00 61.00 61.37 3i6a s PRO 206 Cb -0.13 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 3i6a s PRO 206 CO 0.26 -2.23 1.31 -2.14 0.04 0.00 0.00 177.00 174.25 3i6a s PRO 207 N -5.38 2.75 0.23 0.56 0.02 -1.26 -4.37 135.00 127.55 3i6a s PRO 207 Ca 0.65 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 63.48 3i6a s PRO 207 Cb -0.13 -1.98 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 3i6a s PRO 207 CO 0.53 -1.46 1.31 -1.25 -0.33 0.00 0.00 177.00 175.80 3i6a s PRO 208 N -3.23 4.38 0.35 5.54 0.04 -1.26 -5.02 135.00 135.80 3i6a s PRO 208 Ca 0.79 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.97 3i6a s PRO 208 Cb -0.38 -3.16 0.04 0.00 0.04 0.00 0.00 34.50 31.04 3i6a s PRO 208 CO 0.42 -0.23 0.37 -0.40 0.04 0.00 0.00 177.00 177.20 3i6a n ASP 209 N 2.21 1.71 0.12 6.66 3.85 -1.26 -4.93 116.55 124.90 3i6a n ASP 209 Ca 0.05 -2.06 0.01 0.00 -0.71 0.00 0.00 54.79 52.07 3i6a n ASP 209 Cb 0.42 -0.14 0.32 0.00 -1.35 0.00 0.00 41.12 40.38 3i6a n ASP 209 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3i6a h GLU 210 N 0.00 0.21 -0.49 0.11 5.08 -1.99 -0.34 114.58 117.17 3i6a h GLU 210 Ca -0.19 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 57.98 3i6a h GLU 210 Cb 0.78 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3i6a h GLU 210 CO 0.29 0.47 -0.14 0.82 -1.00 0.00 0.00 179.01 179.45 3i6a h ILE 211 N 0.19 1.27 -0.19 3.13 2.04 -1.99 -0.87 117.51 121.09 3i6a h ILE 211 Ca 0.03 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 3i6a h ILE 211 Cb 0.58 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3i6a h ILE 211 CO 0.04 0.45 0.02 0.22 0.00 0.00 0.00 178.15 178.88 3i6a h TYR 212 N 0.82 0.34 -0.60 1.37 5.03 -1.89 0.75 116.97 122.79 3i6a h TYR 212 Ca 0.12 -0.05 0.10 0.00 2.58 0.00 0.00 58.73 61.48 3i6a h TYR 212 Cb 0.70 -0.09 -0.08 0.00 1.55 0.00 0.00 36.73 38.81 3i6a h TYR 212 CO 0.05 0.48 0.18 0.28 -1.32 0.00 0.00 178.16 177.83 3i6a h VAL 213 N 0.10 0.71 -0.45 1.81 2.07 -0.85 0.14 116.25 119.77 3i6a h VAL 213 Ca 0.06 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 3i6a h VAL 213 Cb 0.33 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3i6a h VAL 213 CO 0.00 0.06 0.09 0.03 0.02 0.00 0.00 177.57 177.78 3i6a h ARG 214 N 0.33 0.74 0.06 1.57 3.08 -1.06 -2.87 114.38 116.23 3i6a h ARG 214 Ca 0.31 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3i6a h ARG 214 Cb 0.42 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3i6a h ARG 214 CO -0.35 0.74 -0.03 1.15 -1.07 0.00 0.00 179.97 180.42 3i6a h THR 215 N 0.61 0.94 -1.00 2.04 2.02 0.18 -1.29 112.91 116.40 3i6a h THR 215 Ca 0.14 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.49 3i6a h THR 215 Cb 0.35 0.94 -0.10 0.00 -1.74 0.00 0.00 68.15 67.60 3i6a h THR 215 CO 0.00 0.00 0.62 0.58 0.37 0.00 0.00 175.52 177.09 3i6a h VAL 216 N -0.08 0.77 0.08 3.16 2.07 -0.70 0.53 116.25 122.09 3i6a h VAL 216 Ca -0.01 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3i6a h VAL 216 Cb 0.06 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 3i6a h VAL 216 CO 0.01 0.15 -0.20 1.88 0.02 0.00 0.00 177.57 179.43 3i6a h TYR 217 N 0.83 -0.53 -0.78 1.57 0.05 -1.22 -2.81 116.97 114.08 3i6a h TYR 217 Ca 0.55 0.01 0.16 0.00 0.05 0.00 0.00 58.73 59.50 3i6a h TYR 217 Cb 0.78 0.22 -0.05 0.00 1.01 0.00 0.00 36.73 38.69 3i6a h TYR 217 CO -0.00 -0.29 0.52 -0.91 -1.05 0.00 0.00 178.16 176.43 3i6a h ASN 218 N -0.37 0.39 0.08 3.88 2.35 0.11 1.60 115.58 123.63 3i6a h ASN 218 Ca 0.03 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3i6a h ASN 218 Cb 0.40 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3i6a h ASN 218 CO -0.13 0.20 0.00 -0.38 -1.65 0.00 0.00 177.43 175.47 3i6a n ILE 219 N -4.48 0.03 -1.16 2.81 5.41 0.24 -4.16 119.36 118.05 3i6a n ILE 219 Ca 0.15 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.91 3i6a n ILE 219 Cb 0.56 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 3i6a n ILE 219 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04