#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 4.04 0.56 0.00 8.01 -1.26 -5.05 118.70 125.00 3i6a s GLU 3 Ca 0.00 0.94 -0.21 0.00 0.01 0.00 0.00 54.97 55.71 3i6a s GLU 3 Cb 0.00 -2.21 -0.05 0.00 -4.31 0.00 0.00 34.13 27.56 3i6a s GLU 3 CO 0.00 -0.11 1.25 1.63 0.01 0.00 0.00 175.26 178.04 3i6a n LYS 4 N -1.07 1.46 -1.57 1.61 5.02 -1.26 -4.81 118.16 117.53 3i6a n LYS 4 Ca 0.06 0.54 -0.47 0.00 -2.02 0.00 0.00 58.31 56.42 3i6a n LYS 4 Cb 0.54 -2.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.06 3i6a n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i6a n PRO 5 N -1.02 1.18 -4.22 1.97 -0.02 -1.26 -4.76 135.00 126.88 3i6a n PRO 5 Ca 0.12 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 3i6a n PRO 5 Cb 0.45 -1.85 -0.15 0.00 -0.02 0.00 0.00 33.50 31.93 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 -0.81 3.15 -0.32 -0.52 2.20 0.14 -1.05 119.74 122.53 3i6a s LYS 6 Ca 0.68 -0.76 -0.16 0.00 -0.36 0.00 0.00 55.97 55.37 3i6a s LYS 6 Cb -0.80 -2.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 3i6a s LYS 6 CO 0.55 -0.13 0.40 -0.51 -0.36 0.00 0.00 175.35 175.30 3i6a s LEU 7 N 1.17 4.29 -0.50 5.43 1.02 0.37 -0.85 118.68 129.61 3i6a s LEU 7 Ca 0.02 -0.02 -0.16 0.00 0.02 0.00 0.00 54.13 53.98 3i6a s LEU 7 Cb -0.14 -2.42 0.09 0.00 0.02 0.00 0.00 46.19 43.74 3i6a s LEU 7 CO -0.06 -0.32 0.45 -1.00 0.02 0.00 0.00 176.35 175.44 3i6a s HIS 8 N 2.11 3.22 0.34 0.29 3.76 0.48 -1.41 115.29 124.09 3i6a s HIS 8 Ca 0.14 -0.99 -0.14 0.00 -0.15 0.00 0.00 55.06 53.92 3i6a s HIS 8 Cb -0.16 -3.39 0.03 0.00 1.11 0.00 0.00 32.58 30.17 3i6a s HIS 8 CO 0.11 -0.89 0.69 -0.47 -0.85 0.00 0.00 174.74 173.34 3i6a s TYR 9 N 1.74 0.25 0.77 1.40 5.04 -1.22 -2.63 117.35 122.69 3i6a s TYR 9 Ca 0.05 -0.77 -0.14 0.00 -2.44 0.00 0.00 57.07 53.76 3i6a s TYR 9 Cb -0.25 0.59 0.06 0.00 0.35 0.00 0.00 41.96 42.71 3i6a s TYR 9 CO 0.06 -1.38 1.22 -0.06 -1.34 0.00 0.00 175.55 174.05 3i6a s PHE 10 N -2.91 1.89 -1.35 4.97 0.08 -1.26 -0.76 117.98 118.63 3i6a s PHE 10 Ca 0.18 1.63 -0.16 0.00 0.12 0.00 0.00 56.93 58.69 3i6a s PHE 10 Cb -0.04 -3.52 0.06 0.00 -0.57 0.00 0.00 43.02 38.95 3i6a s PHE 10 CO 0.12 -2.82 1.90 -1.71 -0.10 0.00 0.00 175.22 172.61 3i6a n ASN 11 N -2.96 4.58 -0.91 1.36 5.15 -1.26 -4.78 115.26 116.44 3i6a n ASN 11 Ca 0.14 -2.90 0.00 0.00 -0.60 0.00 0.00 54.58 51.22 3i6a n ASN 11 Cb 0.50 -1.71 0.00 0.00 -0.53 0.00 0.00 39.78 38.04 3i6a n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i6a n GLY 12 N 4.90 0.78 0.00 8.20 0.00 -1.26 -5.00 105.19 112.81 3i6a n GLY 12 Ca 0.50 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3i6a n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6a n ARG 13 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.74 116.66 114.00 3i6a n ARG 13 Ca 0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 3i6a n ARG 13 Cb 0.00 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 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 1.68 2.42 0.37 -0.13 0.00 -1.26 -1.70 105.19 106.56 3i6a n GLY 14 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 13.60 1.49 -0.00 1.61 1.74 -1.26 -3.84 116.66 130.01 3i6a n ARG 15 Ca 0.00 -0.73 0.09 0.00 -0.77 0.00 0.00 57.85 56.44 3i6a n ARG 15 Cb 0.00 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 29.89 3i6a n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3i6a n MET 16 N -0.09 0.84 -0.01 5.56 1.56 -0.69 -4.62 117.12 119.68 3i6a n MET 16 Ca 0.18 -0.09 -0.03 0.00 -0.27 0.00 0.00 57.70 57.50 3i6a n MET 16 Cb 0.27 -1.39 0.21 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 0.55 -0.14 2.12 4.57 -1.56 -1.63 114.58 118.49 3i6a h GLU 17 Ca 0.00 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 57.92 3i6a h GLU 17 Cb 0.63 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 3i6a h GLU 17 CO 0.00 0.69 -0.28 0.66 -1.18 0.00 0.00 179.01 178.89 3i6a h SER 18 N 0.51 0.26 -0.25 1.04 4.64 -1.84 -0.21 113.55 117.70 3i6a h SER 18 Ca 0.09 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 3i6a h SER 18 Cb 0.55 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3i6a h SER 18 CO 0.04 0.55 -0.46 0.74 -0.87 0.00 0.00 176.83 176.82 3i6a h THR 19 N 0.24 1.30 -0.75 2.95 2.02 -1.67 -1.15 112.91 115.85 3i6a h THR 19 Ca 0.03 -1.66 0.02 0.00 0.77 0.00 0.00 66.41 65.57 3i6a h THR 19 Cb 0.63 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 3i6a h THR 19 CO 0.05 0.53 0.49 0.03 0.37 0.00 0.00 175.52 176.98 3i6a h ARG 20 N 0.49 0.94 -0.13 6.66 3.08 -0.52 -1.14 114.38 123.76 3i6a h ARG 20 Ca 0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i6a h ARG 20 Cb 1.07 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3i6a h ARG 20 CO 0.10 0.62 0.06 -1.49 -1.07 0.00 0.00 179.97 178.20 3i6a h TRP 21 N 0.96 0.18 -0.53 3.04 4.06 -1.02 -2.55 115.95 120.10 3i6a h TRP 21 Ca 0.29 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.19 3i6a h TRP 21 Cb -0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 3i6a h TRP 21 CO -0.03 0.22 0.15 1.25 -3.56 0.00 0.00 178.44 176.47 3i6a h LEU 22 N 0.09 0.78 -0.47 -4.49 5.85 -0.88 -0.58 115.31 115.61 3i6a h LEU 22 Ca 0.04 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3i6a h LEU 22 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3i6a h LEU 22 CO -0.01 0.80 0.25 -0.07 -0.34 0.00 0.00 178.44 179.07 3i6a h LEU 23 N 0.73 0.60 -0.79 2.25 3.38 -1.25 -1.22 115.31 119.02 3i6a h LEU 23 Ca 0.17 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3i6a h LEU 23 Cb 0.30 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3i6a h LEU 23 CO -0.00 0.53 0.12 0.00 0.09 0.00 0.00 178.44 179.18 3i6a h ALA 24 N 1.09 1.00 -0.40 1.53 0.00 -1.37 0.11 119.26 121.23 3i6a h ALA 24 Ca 0.17 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3i6a h ALA 24 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3i6a h ALA 24 CO -0.02 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.83 3i6a h ALA 25 N 1.15 1.21 0.00 0.00 0.00 -0.85 -1.29 119.26 119.48 3i6a h ALA 25 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i6a h ALA 25 Cb 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i6a h ALA 25 CO 0.01 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3i6a n ALA 26 N -2.48 2.41 -0.79 0.00 0.00 -0.48 -4.72 120.51 114.46 3i6a n ALA 26 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3i6a n ALA 26 Cb 0.29 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3i6a n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6a n GLY 27 N 0.76 0.60 3.52 0.00 0.00 -0.49 -5.01 105.19 104.58 3i6a n GLY 27 Ca 0.17 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 5.05 0.33 1.61 1.01 -0.06 -4.99 120.40 121.34 3i6a s VAL 28 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 3i6a s VAL 28 Cb 0.00 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 3i6a s VAL 28 CO 0.00 -0.32 1.27 -1.61 0.00 0.00 0.00 175.10 174.44 3i6a s GLU 29 N 2.28 4.36 0.17 2.72 2.02 -1.26 -4.14 118.70 124.86 3i6a s GLU 29 Ca 0.15 2.13 -0.00 0.00 0.02 0.00 0.00 54.97 57.27 3i6a s GLU 29 Cb -0.16 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 3i6a s GLU 29 CO 0.14 -0.15 0.07 -0.59 0.02 0.00 0.00 175.26 174.75 3i6a s PHE 30 N -1.16 1.09 0.24 1.61 -0.12 -1.26 -4.32 117.98 114.05 3i6a s PHE 30 Ca 0.49 -1.22 0.10 0.00 -0.05 0.00 0.00 56.93 56.24 3i6a s PHE 30 Cb -0.38 -0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 41.37 3i6a s PHE 30 CO 0.50 -0.47 -0.06 -1.21 -0.05 0.00 0.00 175.22 173.94 3i6a s GLU 31 N -4.05 2.15 0.03 1.99 2.02 -0.21 -4.99 118.70 115.63 3i6a s GLU 31 Ca 0.29 -1.40 0.06 0.00 0.02 0.00 0.00 54.97 53.94 3i6a s GLU 31 Cb 0.07 -2.12 -0.02 0.00 0.10 0.00 0.00 34.13 32.16 3i6a s GLU 31 CO 0.06 0.39 -0.17 -1.21 0.02 0.00 0.00 175.26 174.35 3i6a s GLU 32 N -3.35 1.20 -0.23 1.61 2.02 -1.26 -0.48 118.70 118.21 3i6a s GLU 32 Ca 0.29 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.51 3i6a s GLU 32 Cb -0.07 -1.24 0.06 0.00 0.10 0.00 0.00 34.13 32.98 3i6a s GLU 32 CO 0.18 0.32 -0.06 0.21 0.02 0.00 0.00 175.26 175.92 3i6a s LYS 33 N -0.95 1.70 -0.12 1.61 2.20 -0.50 -4.89 119.74 118.79 3i6a s LYS 33 Ca 0.05 -0.96 -0.24 0.00 -0.36 0.00 0.00 55.97 54.45 3i6a s LYS 33 Cb -0.08 -2.55 -0.03 0.00 -1.51 0.00 0.00 37.83 33.66 3i6a s LYS 33 CO 0.01 -0.56 0.76 -0.06 -0.36 0.00 0.00 175.35 175.13 3i6a s PHE 34 N 1.39 3.49 -0.21 4.03 0.08 -1.26 -3.43 117.98 122.08 3i6a s PHE 34 Ca -0.05 1.24 -0.26 0.00 0.12 0.00 0.00 56.93 57.97 3i6a s PHE 34 Cb -0.18 -2.90 -0.00 0.00 -0.57 0.00 0.00 43.02 39.36 3i6a s PHE 34 CO -0.06 -0.08 0.90 0.42 -0.10 0.00 0.00 175.22 176.30 3i6a s ILE 35 N 1.48 4.80 -0.08 0.64 1.01 0.06 -4.91 121.20 124.20 3i6a s ILE 35 Ca 0.37 1.75 0.04 0.00 0.00 0.00 0.00 60.65 62.81 3i6a s ILE 35 Cb -0.17 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 3i6a s ILE 35 CO 0.15 -0.07 0.11 0.29 0.00 0.00 0.00 174.94 175.42 3i6a n LYS 36 N 5.83 2.99 -3.91 2.79 4.76 -1.26 -4.41 118.16 124.94 3i6a n LYS 36 Ca 0.07 -0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.40 3i6a n LYS 36 Cb 0.47 -0.87 -0.07 0.00 -1.84 0.00 0.00 35.03 32.73 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 -1.87 0.00 0.29 4.39 1.04 -1.26 -4.86 113.70 111.44 3i6a s SER 37 Ca 0.00 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 3i6a s SER 37 Cb 0.02 0.45 0.45 0.00 0.10 0.00 0.00 66.02 67.04 3i6a s SER 37 CO 0.15 -0.90 1.87 0.00 0.98 0.00 0.00 173.24 175.34 3i6a h ALA 38 N 2.51 1.29 -0.55 5.32 0.00 -1.80 -2.34 119.26 123.69 3i6a h ALA 38 Ca -0.31 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.53 3i6a h ALA 38 Cb 1.23 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 3i6a h ALA 38 CO 0.47 0.52 0.12 1.49 0.00 0.00 0.00 179.25 181.85 3i6a h GLU 39 N 0.84 0.25 -0.76 0.00 4.81 -1.96 0.31 114.58 118.07 3i6a h GLU 39 Ca 0.20 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3i6a h GLU 39 Cb 0.18 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3i6a h GLU 39 CO -0.02 0.16 0.39 -0.44 -0.73 0.00 0.00 179.01 178.38 3i6a h ASP 40 N 0.25 0.97 -0.37 1.04 3.32 -1.83 -1.14 116.42 118.65 3i6a h ASP 40 Ca 0.28 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 3i6a h ASP 40 Cb 0.40 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3i6a h ASP 40 CO -0.36 0.81 -0.11 0.25 -1.72 0.00 0.00 179.24 178.10 3i6a h LEU 41 N 1.06 0.74 -1.16 1.55 5.85 -1.11 -2.87 115.31 119.37 3i6a h LEU 41 Ca 0.26 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3i6a h LEU 41 Cb 0.07 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3i6a h LEU 41 CO -0.04 0.95 0.36 0.44 -0.34 0.00 0.00 178.44 179.81 3i6a h ASP 42 N 0.53 0.84 -0.38 1.25 3.32 -0.43 -2.31 116.42 119.24 3i6a h ASP 42 Ca 0.09 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3i6a h ASP 42 Cb 0.64 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3i6a h ASP 42 CO 0.04 0.69 0.22 0.50 -1.72 0.00 0.00 179.24 178.97 3i6a h LYS 43 N 0.95 0.52 -0.41 3.56 1.63 -1.07 0.22 116.57 121.96 3i6a h LYS 43 Ca 0.24 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 60.01 3i6a h LYS 43 Cb 0.05 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 3i6a h LYS 43 CO -0.04 0.41 0.22 -0.07 -3.45 0.00 0.00 179.45 176.53 3i6a h LEU 44 N 0.49 0.34 -0.16 5.20 3.38 -1.26 -0.11 115.31 123.19 3i6a h LEU 44 Ca 0.13 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3i6a h LEU 44 Cb 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3i6a h LEU 44 CO -0.02 0.24 0.08 0.03 0.09 0.00 0.00 178.44 178.86 3i6a h ARG 45 N 0.45 0.22 -0.38 1.13 3.08 -1.18 -2.24 114.38 115.46 3i6a h ARG 45 Ca 0.17 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 3i6a h ARG 45 Cb 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3i6a h ARG 45 CO -0.10 0.24 -0.08 -0.91 -1.07 0.00 0.00 179.97 178.04 3i6a h ASN 46 N 0.15 0.63 0.30 7.04 2.35 -0.40 -0.91 115.58 124.73 3i6a h ASN 46 Ca 0.06 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3i6a h ASN 46 Cb 0.08 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3i6a h ASN 46 CO -0.01 0.75 0.00 0.47 -1.65 0.00 0.00 177.43 177.00 3i6a n ASP 47 N -4.20 0.00 -0.51 5.81 8.00 -0.07 -4.89 116.55 120.70 3i6a n ASP 47 Ca 0.01 0.49 -0.05 0.00 0.71 0.00 0.00 54.79 55.95 3i6a n ASP 47 Cb 0.33 -0.49 -0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 -0.58 0.24 0.20 0.44 0.00 -0.35 -4.98 105.19 100.17 3i6a n GLY 48 Ca 0.02 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.87 0.00 -3.81 1.61 4.01 -0.85 -4.77 117.16 109.47 3i6a n TYR 49 Ca -0.05 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.33 3i6a n TYR 49 Cb 0.50 -0.07 -0.12 0.00 -0.31 0.00 0.00 39.34 39.34 3i6a n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i6a s LEU 50 N -2.75 5.19 0.38 7.72 1.43 -1.26 -4.88 118.68 124.50 3i6a s LEU 50 Ca 0.15 -2.07 0.08 0.00 -1.03 0.00 0.00 54.13 51.25 3i6a s LEU 50 Cb 0.17 -1.80 0.82 0.00 0.03 0.00 0.00 46.19 45.41 3i6a s LEU 50 CO 0.69 -0.52 1.95 -0.03 0.23 0.00 0.00 176.35 178.67 3i6a h MET 51 N 7.96 0.65 -0.17 1.70 1.85 -1.86 -0.99 114.93 124.08 3i6a h MET 51 Ca -0.11 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 58.92 3i6a h MET 51 Cb 1.04 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.91 3i6a h MET 51 CO 0.68 0.43 -0.03 1.19 -0.40 0.00 0.00 176.91 178.78 3i6a n PHE 52 N -4.49 0.58 -1.36 1.39 3.72 -1.26 -4.96 117.46 111.08 3i6a n PHE 52 Ca 0.12 -1.03 -0.12 0.00 -0.05 0.00 0.00 57.45 56.36 3i6a n PHE 52 Cb 0.30 -0.27 -0.05 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.94 -1.52 -4.43 -1.08 1.13 -0.38 -4.99 117.38 105.17 3i6a n GLN 53 Ca 0.21 0.92 -0.26 0.00 -1.94 0.00 0.00 57.00 55.93 3i6a n GLN 53 Cb 0.81 -5.26 -0.11 0.00 0.11 0.00 0.00 30.24 25.80 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 -2.98 1.64 0.28 -1.09 -0.21 -1.26 -4.99 119.66 111.04 3i6a s GLN 54 Ca 0.00 -1.60 0.07 0.00 0.02 0.00 0.00 55.36 53.85 3i6a s GLN 54 Cb 0.00 -1.84 -0.03 0.00 1.00 0.00 0.00 33.01 32.13 3i6a s GLN 54 CO 0.00 0.37 0.20 0.14 -2.12 0.00 0.00 175.29 173.88 3i6a s VAL 55 N -2.02 4.08 0.56 1.09 -7.23 -1.26 -4.67 120.40 110.94 3i6a s VAL 55 Ca 0.25 -1.46 -0.21 0.00 -1.81 0.00 0.00 61.98 58.75 3i6a s VAL 55 Cb -0.07 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.55 3i6a s VAL 55 CO 0.12 -0.31 1.26 -2.84 -0.31 0.00 0.00 175.10 173.03 3i6a s PRO 56 N -3.86 3.13 -0.01 4.82 0.02 -1.26 -5.00 135.00 132.84 3i6a s PRO 56 Ca 0.35 1.99 0.02 0.00 0.02 0.00 0.00 61.00 63.38 3i6a s PRO 56 Cb -0.07 -2.13 -0.00 0.00 0.02 0.00 0.00 34.50 32.32 3i6a s PRO 56 CO 0.25 -1.12 -0.07 1.41 -0.33 0.00 0.00 177.00 177.14 3i6a s MET 57 N -3.06 0.65 -0.11 5.54 1.75 -1.08 -3.82 119.30 119.18 3i6a s MET 57 Ca 0.73 -0.24 0.04 0.00 -1.25 0.00 0.00 55.69 54.97 3i6a s MET 57 Cb -0.35 -0.64 0.00 0.00 2.84 0.00 0.00 34.83 36.69 3i6a s MET 57 CO 0.39 0.11 -0.23 0.08 -0.65 0.00 0.00 175.02 174.72 3i6a s VAL 58 N 0.04 2.09 -0.33 10.11 1.01 -0.08 -0.38 120.40 132.85 3i6a s VAL 58 Ca -0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 3i6a s VAL 58 Cb -0.05 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 3i6a s VAL 58 CO -0.00 0.56 0.64 -1.61 0.00 0.00 0.00 175.10 174.69 3i6a s GLU 59 N 0.43 3.81 -0.13 2.72 2.02 -0.03 -0.43 118.70 127.09 3i6a s GLU 59 Ca -0.17 0.20 -0.07 0.00 0.02 0.00 0.00 54.97 54.96 3i6a s GLU 59 Cb -0.17 -3.76 0.05 0.00 0.10 0.00 0.00 34.13 30.34 3i6a s GLU 59 CO 0.07 -0.65 0.31 -1.50 0.02 0.00 0.00 175.26 173.51 3i6a s ILE 60 N 2.67 -0.04 -1.49 -1.63 2.07 -0.83 -0.68 121.20 121.27 3i6a s ILE 60 Ca 0.25 0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.50 3i6a s ILE 60 Cb -0.15 -0.47 0.07 0.00 0.13 0.00 0.00 42.46 42.04 3i6a s ILE 60 CO 0.13 0.05 0.98 0.47 -1.91 0.00 0.00 174.94 174.67 3i6a n ASP 61 N 4.26 -5.17 0.00 4.50 8.00 -1.26 -1.30 116.55 125.58 3i6a n ASP 61 Ca -0.24 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.57 3i6a n ASP 61 Cb 0.54 -4.12 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 3i6a n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6a n GLY 62 N -1.72 2.20 3.94 0.44 0.00 -1.26 -5.02 105.19 103.76 3i6a n GLY 62 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.18 3.12 -0.34 1.61 -1.94 -0.42 -5.10 119.30 116.06 3i6a s MET 63 Ca 0.00 -0.99 0.01 0.00 -1.71 0.00 0.00 55.69 53.00 3i6a s MET 63 Cb 0.00 -2.75 0.09 0.00 2.01 0.00 0.00 34.83 34.17 3i6a s MET 63 CO 0.00 0.21 0.06 0.15 -0.01 0.00 0.00 175.02 175.43 3i6a s LYS 64 N -4.05 1.90 -0.29 2.03 1.02 -1.26 -1.96 119.74 117.13 3i6a s LYS 64 Ca 0.40 -1.68 -0.14 0.00 0.02 0.00 0.00 55.97 54.57 3i6a s LYS 64 Cb -0.09 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 3i6a s LYS 64 CO 0.29 -0.87 0.32 -0.51 -0.92 0.00 0.00 175.35 173.67 3i6a s LEU 65 N 1.06 4.11 0.47 3.17 1.43 0.43 -4.92 118.68 124.42 3i6a s LEU 65 Ca 0.04 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 3i6a s LEU 65 Cb -0.20 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3i6a s LEU 65 CO -0.05 -0.18 0.45 0.68 0.23 0.00 0.00 176.35 177.48 3i6a s VAL 66 N 1.98 2.35 0.01 -1.59 -7.23 -1.26 -0.90 120.40 113.77 3i6a s VAL 66 Ca 0.12 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 3i6a s VAL 66 Cb -0.16 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.11 3i6a s VAL 66 CO 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.90 3i6a n GLN 67 N -1.72 -1.79 -0.33 4.82 1.13 -1.25 -4.31 117.38 113.94 3i6a n GLN 67 Ca 0.04 1.62 0.08 0.00 -1.94 0.00 0.00 57.00 56.81 3i6a n GLN 67 Cb 0.62 -1.89 0.19 0.00 0.11 0.00 0.00 30.24 29.27 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 1.45 0.09 -0.13 5.09 2.02 -1.91 0.23 112.91 119.76 3i6a h THR 68 Ca 0.00 -0.01 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 3i6a h THR 68 Cb 0.00 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3i6a h THR 68 CO 0.00 0.00 -0.45 0.03 0.37 0.00 0.00 175.52 175.48 3i6a h ARG 69 N 0.02 0.30 0.02 6.66 3.08 -1.98 0.15 114.38 122.63 3i6a h ARG 69 Ca 0.50 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 3i6a h ARG 69 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3i6a h ARG 69 CO -0.91 0.69 -0.01 0.00 -1.07 0.00 0.00 179.97 178.68 3i6a h ALA 70 N 1.29 -0.03 -0.41 0.04 0.00 -0.83 -0.69 119.26 118.63 3i6a h ALA 70 Ca 0.02 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3i6a h ALA 70 Cb 0.89 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 3i6a h ALA 70 CO 0.07 -0.38 -0.28 0.82 0.00 0.00 0.00 179.25 179.48 3i6a h ILE 71 N -0.29 0.28 -0.27 0.00 2.04 -0.99 -1.77 117.51 116.51 3i6a h ILE 71 Ca -0.00 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.70 3i6a h ILE 71 Cb 0.28 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3i6a h ILE 71 CO 0.00 0.00 -0.48 -0.07 0.00 0.00 0.00 178.15 177.60 3i6a h LEU 72 N -0.21 0.79 -0.13 1.44 3.38 -0.89 -2.50 115.31 117.19 3i6a h LEU 72 Ca 0.19 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3i6a h LEU 72 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3i6a h LEU 72 CO -0.53 1.14 0.09 0.78 0.09 0.00 0.00 178.44 180.01 3i6a h ASN 73 N 0.58 0.16 -0.10 -0.43 2.35 -0.98 0.56 115.58 117.71 3i6a h ASN 73 Ca 0.03 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3i6a h ASN 73 Cb 1.04 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 3i6a h ASN 73 CO 0.10 0.13 -0.06 0.22 -1.65 0.00 0.00 177.43 176.18 3i6a h TYR 74 N 0.17 -0.13 -0.20 1.19 3.20 -1.26 0.29 116.97 120.24 3i6a h TYR 74 Ca 0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3i6a h TYR 74 Cb -0.00 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3i6a h TYR 74 CO -0.06 -0.09 0.12 0.82 -1.64 0.00 0.00 178.16 177.31 3i6a h ILE 75 N -0.05 1.07 -0.80 1.81 2.04 -1.38 0.19 117.51 120.39 3i6a h ILE 75 Ca 0.06 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3i6a h ILE 75 Cb 0.14 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3i6a h ILE 75 CO -0.14 0.06 0.40 0.00 0.00 0.00 0.00 178.15 178.48 3i6a h ALA 76 N 1.05 1.02 -0.31 1.87 0.00 -0.52 -1.81 119.26 120.56 3i6a h ALA 76 Ca 0.07 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3i6a h ALA 76 Cb -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3i6a h ALA 76 CO -0.01 0.57 -0.07 1.03 0.00 0.00 0.00 179.25 180.77 3i6a h SER 77 N 1.12 0.60 -0.93 0.00 0.87 0.01 -1.08 113.55 114.14 3i6a h SER 77 Ca 0.28 -0.36 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3i6a h SER 77 Cb 0.09 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.84 3i6a h SER 77 CO -0.04 0.82 0.60 0.50 -0.53 0.00 0.00 176.83 178.19 3i6a h LYS 78 N 0.37 1.23 -0.52 2.24 3.64 -0.45 -3.00 116.57 120.07 3i6a h LYS 78 Ca 0.08 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3i6a h LYS 78 Cb 0.55 -0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3i6a h LYS 78 CO 0.03 0.82 0.09 0.66 -2.27 0.00 0.00 179.45 178.78 3i6a n TYR 79 N -4.42 1.82 -2.72 1.91 4.01 -0.70 -4.95 117.16 112.10 3i6a n TYR 79 Ca 0.10 -0.99 -0.21 0.00 -0.16 0.00 0.00 57.90 56.64 3i6a n TYR 79 Cb 0.02 -0.52 0.02 0.00 -0.31 0.00 0.00 39.34 38.55 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 -0.09 -5.81 -0.96 7.72 3.02 -1.00 -4.87 115.26 113.26 3i6a n ASN 80 Ca 0.31 -0.16 0.08 0.00 -0.03 0.00 0.00 54.58 54.77 3i6a n ASN 80 Cb 1.17 -4.72 0.25 0.00 -0.61 0.00 0.00 39.78 35.86 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 -3.41 3.82 -1.40 3.41 4.77 -0.44 -4.53 117.00 119.22 3i6a n LEU 81 Ca -0.16 -2.64 -0.09 0.00 -0.03 0.00 0.00 56.01 53.09 3i6a n LEU 81 Cb 0.64 -0.46 0.19 0.00 -2.33 0.00 0.00 43.42 41.46 3i6a n LEU 81 CO 0.37 0.71 0.80 0.00 -1.33 0.00 0.00 177.39 177.94 3i6a n TYR 82 N 0.07 1.52 -1.31 -1.77 4.19 -1.14 0.03 117.16 118.75 3i6a n TYR 82 Ca 0.19 -1.71 0.05 0.00 3.31 0.00 0.00 57.90 59.75 3i6a n TYR 82 Cb 0.77 -0.59 -0.01 0.00 0.49 0.00 0.00 39.34 40.00 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 -1.12 -2.05 0.00 2.98 0.00 -1.26 -4.42 105.19 99.32 3i6a n GLY 83 Ca 0.39 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.83 1.24 -3.93 1.61 2.85 -1.26 -4.95 118.16 111.89 3i6a n LYS 84 Ca 0.00 -0.06 -0.10 0.00 -1.05 0.00 0.00 58.31 57.10 3i6a n LYS 84 Cb 0.18 -1.30 -0.02 0.00 -0.65 0.00 0.00 35.03 33.24 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 -3.08 0.10 0.28 -5.58 1.47 -1.26 -5.04 116.67 103.55 3i6a s ASP 85 Ca 0.01 -1.03 -0.01 0.00 1.18 0.00 0.00 52.55 52.70 3i6a s ASP 85 Cb 0.11 0.71 0.46 0.00 -0.34 0.00 0.00 42.92 43.87 3i6a s ASP 85 CO 0.66 -1.38 1.89 -0.29 0.68 0.00 0.00 175.17 176.72 3i6a h ILE 86 N 2.09 1.07 -0.32 2.11 2.10 -1.96 -1.84 117.51 120.76 3i6a h ILE 86 Ca -0.27 -0.38 -0.17 0.00 1.08 0.00 0.00 64.86 65.12 3i6a h ILE 86 Cb 1.25 -0.14 -0.00 0.00 -1.09 0.00 0.00 36.82 36.83 3i6a h ILE 86 CO 0.35 0.20 -0.46 0.11 -1.08 0.00 0.00 178.15 177.27 3i6a h LYS 87 N 1.12 0.85 -0.55 2.19 1.57 -1.99 -1.56 116.57 118.20 3i6a h LYS 87 Ca 0.42 -0.49 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3i6a h LYS 87 Cb 0.20 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3i6a h LYS 87 CO -0.17 1.13 0.07 0.93 -0.57 0.00 0.00 179.45 180.84 3i6a h GLU 88 N 0.68 0.89 -0.68 3.15 5.08 -1.86 -2.36 114.58 119.48 3i6a h GLU 88 Ca 0.04 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3i6a h GLU 88 Cb 1.05 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3i6a h GLU 88 CO 0.10 0.84 0.35 0.00 -1.00 0.00 0.00 179.01 179.31 3i6a h ARG 89 N 0.84 0.96 -0.37 2.33 3.08 -1.09 0.11 114.38 120.24 3i6a h ARG 89 Ca 0.17 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i6a h ARG 89 Cb 0.40 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3i6a h ARG 89 CO 0.01 0.72 0.22 0.00 -1.07 0.00 0.00 179.97 179.86 3i6a h ALA 90 N 1.42 0.48 -0.34 0.04 0.00 -0.90 0.22 119.26 120.18 3i6a h ALA 90 Ca 0.24 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3i6a h ALA 90 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i6a h ALA 90 CO -0.03 -0.02 0.10 -0.07 0.00 0.00 0.00 179.25 179.22 3i6a h LEU 91 N 0.49 0.50 -0.24 0.00 3.38 -0.88 -1.32 115.31 117.23 3i6a h LEU 91 Ca 0.13 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3i6a h LEU 91 Cb 0.01 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3i6a h LEU 91 CO -0.02 0.58 -0.04 0.40 0.09 0.00 0.00 178.44 179.45 3i6a h ILE 92 N 0.39 0.78 -0.59 1.22 2.04 -0.55 -1.25 117.51 119.55 3i6a h ILE 92 Ca 0.11 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 3i6a h ILE 92 Cb 0.26 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3i6a h ILE 92 CO -0.00 0.01 0.24 0.44 0.00 0.00 0.00 178.15 178.83 3i6a h ASP 93 N 0.03 0.81 0.43 1.72 3.32 -0.44 -1.19 116.42 121.10 3i6a h ASP 93 Ca 0.12 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3i6a h ASP 93 Cb 0.17 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3i6a h ASP 93 CO -0.23 0.76 -0.26 -0.03 -1.72 0.00 0.00 179.24 177.76 3i6a h MET 94 N 0.82 -0.63 -0.20 3.56 4.05 -1.00 -0.97 114.93 120.56 3i6a h MET 94 Ca 0.20 0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.69 3i6a h MET 94 Cb 0.20 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 3i6a h MET 94 CO -0.02 -0.42 0.03 1.88 0.23 0.00 0.00 176.91 178.61 3i6a h TYR 95 N -0.66 0.05 0.00 1.39 0.05 -1.05 -2.69 116.97 114.06 3i6a h TYR 95 Ca -0.05 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.65 3i6a h TYR 95 Cb 0.54 0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 3i6a h TYR 95 CO -0.09 0.01 -0.44 -0.84 -1.05 0.00 0.00 178.16 175.75 3i6a h ILE 96 N 0.10 0.93 0.00 -2.88 3.07 -1.15 -2.51 117.51 115.07 3i6a h ILE 96 Ca 0.09 -1.78 -0.10 0.00 1.55 0.00 0.00 64.86 64.62 3i6a h ILE 96 Cb 0.09 2.08 -0.01 0.00 -0.27 0.00 0.00 36.82 38.71 3i6a h ILE 96 CO -0.13 0.43 -0.50 -0.33 -1.05 0.00 0.00 178.15 176.58 3i6a h GLU 97 N 0.00 0.00 -0.30 0.16 4.39 -0.97 0.43 114.58 118.29 3i6a h GLU 97 Ca -0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.71 3i6a h GLU 97 Cb 1.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 3i6a h GLU 97 CO 0.06 0.50 0.15 0.78 -1.16 0.00 0.00 179.01 179.33 3i6a h GLY 98 N 1.50 0.40 1.37 -3.84 0.00 -1.13 -1.50 103.07 99.86 3i6a h GLY 98 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3i6a h GLY 98 CO 0.06 0.09 0.39 -2.22 0.00 0.00 0.00 176.54 174.86 3i6a h ILE 99 N 0.31 1.17 -0.29 2.60 2.04 -1.14 -2.28 117.51 119.92 3i6a h ILE 99 Ca 0.12 -0.37 -0.17 0.00 1.00 0.00 0.00 64.86 65.45 3i6a h ILE 99 Cb 0.04 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3i6a h ILE 99 CO -0.08 0.18 -0.50 0.00 0.00 0.00 0.00 178.15 177.75 3i6a h ALA 100 N 1.57 0.57 -0.50 1.87 0.00 -0.40 0.28 119.26 122.65 3i6a h ALA 100 Ca 0.23 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3i6a h ALA 100 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3i6a h ALA 100 CO -0.04 0.68 0.32 -0.44 0.00 0.00 0.00 179.25 179.76 3i6a h ASP 101 N 0.64 0.53 -0.22 0.00 3.32 -0.95 0.21 116.42 119.94 3i6a h ASP 101 Ca 0.03 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3i6a h ASP 101 Cb 1.08 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3i6a h ASP 101 CO 0.11 0.38 0.08 0.25 -1.72 0.00 0.00 179.24 178.34 3i6a h LEU 102 N 0.64 0.32 -1.13 1.55 5.85 -1.09 -3.13 115.31 118.32 3i6a h LEU 102 Ca 0.19 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.82 3i6a h LEU 102 Cb -0.03 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 3i6a h LEU 102 CO -0.06 0.42 0.60 1.23 -0.34 0.00 0.00 178.44 180.29 3i6a h GLY 103 N 0.20 1.40 1.47 3.75 0.00 -0.00 -1.81 103.07 108.07 3i6a h GLY 103 Ca 0.07 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3i6a h GLY 103 CO -0.00 0.22 0.03 -2.09 0.00 0.00 0.00 176.54 174.69 3i6a h GLU 104 N 0.96 0.66 -0.16 4.80 4.57 -0.91 0.55 114.58 125.04 3i6a h GLU 104 Ca 0.43 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.42 3i6a h GLU 104 Cb 0.39 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3i6a h GLU 104 CO -0.19 0.66 -0.09 0.52 -1.18 0.00 0.00 179.01 178.73 3i6a h MET 105 N 0.63 0.35 -0.35 1.92 2.86 -1.36 -3.00 114.93 115.98 3i6a h MET 105 Ca 0.13 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3i6a h MET 105 Cb 0.36 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3i6a h MET 105 CO 0.01 0.67 0.20 0.82 1.06 0.00 0.00 176.91 179.68 3i6a h ILE 106 N 0.02 1.13 -0.15 -1.22 2.04 -0.83 -1.87 117.51 116.62 3i6a h ILE 106 Ca 0.03 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3i6a h ILE 106 Cb 0.58 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3i6a h ILE 106 CO 0.03 0.13 -0.19 0.40 0.00 0.00 0.00 178.15 178.52 3i6a h ILE 107 N 0.45 1.21 0.00 -0.67 2.04 -1.01 -2.59 117.51 116.94 3i6a h ILE 107 Ca 0.12 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3i6a h ILE 107 Cb 0.03 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3i6a h ILE 107 CO -0.02 0.29 -0.38 0.24 0.00 0.00 0.00 178.15 178.28 3i6a h MET 108 N 0.24 0.00 -0.61 2.37 2.86 -1.34 -3.39 114.93 115.07 3i6a h MET 108 Ca 0.04 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.80 3i6a h MET 108 Cb 0.47 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.05 3i6a h MET 108 CO 0.03 0.00 0.13 1.25 1.06 0.00 0.00 176.91 179.39 3i6a h LEU 109 N 0.00 0.01 -1.54 1.22 5.85 -0.93 -1.46 115.31 118.46 3i6a h LEU 109 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3i6a h LEU 109 Cb 0.81 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.99 3i6a h LEU 109 CO 0.00 0.01 0.00 -0.65 -0.34 0.00 0.00 178.44 177.46 3i6a h PRO 110 N 0.27 0.00 -0.75 5.25 0.11 -1.75 -2.46 132.00 132.66 3i6a h PRO 110 Ca 0.32 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.99 3i6a h PRO 110 Cb 0.48 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.34 3i6a h PRO 110 CO -0.41 0.00 0.31 1.19 -0.21 0.00 0.00 178.00 178.88 3i6a n PHE 111 N -2.77 2.40 -3.80 0.65 3.01 -0.56 -4.96 117.46 111.42 3i6a n PHE 111 Ca 0.00 -2.05 -0.30 0.00 1.01 0.00 0.00 57.45 56.11 3i6a n PHE 111 Cb 0.21 -0.84 -0.04 0.00 -0.01 0.00 0.00 39.48 38.80 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 -2.76 4.19 0.64 0.00 0.02 -1.26 -4.85 135.00 130.99 3i6a s PRO 113 Ca 0.38 2.38 0.19 0.00 0.02 0.00 0.00 61.00 63.97 3i6a s PRO 113 Cb -0.12 -2.99 0.92 0.00 0.02 0.00 0.00 34.50 32.33 3i6a s PRO 113 CO 0.27 -0.39 1.49 -1.35 -0.33 0.00 0.00 177.00 176.69 3i6a h PRO 114 N 3.12 0.00 0.06 5.54 0.11 -1.98 0.06 132.00 138.92 3i6a h PRO 114 Ca -0.50 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.37 3i6a h PRO 114 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3i6a h PRO 114 CO 0.64 0.00 -1.14 0.93 -0.21 0.00 0.00 178.00 178.22 3i6a h GLU 115 N 0.00 0.13 0.00 1.05 4.39 -2.04 -3.30 114.58 114.81 3i6a h GLU 115 Ca 0.12 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3i6a h GLU 115 Cb 1.60 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 3i6a h GLU 115 CO -0.00 1.09 -0.77 0.39 -1.16 0.00 0.00 179.01 178.56 3i6a n GLU 116 N -3.43 0.18 0.13 2.33 1.02 -0.05 -4.59 120.64 116.23 3i6a n GLU 116 Ca -0.05 0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 3i6a n GLU 116 Cb 0.98 -1.58 -0.07 0.00 -0.02 0.00 0.00 31.44 30.76 3i6a n GLU 116 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3i6a h LYS 117 N 0.00 -0.30 -0.18 3.49 1.57 -1.48 -1.31 116.57 118.37 3i6a h LYS 117 Ca 0.00 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3i6a h LYS 117 Cb 0.64 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.96 3i6a h LYS 117 CO 0.00 -0.20 -0.19 -0.44 -0.57 0.00 0.00 179.45 178.05 3i6a h ASP 118 N -0.31 -0.59 -0.59 0.86 3.32 -1.81 0.03 116.42 117.32 3i6a h ASP 118 Ca -0.01 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3i6a h ASP 118 Cb 0.27 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 3i6a h ASP 118 CO -0.01 -0.23 0.11 0.00 -1.72 0.00 0.00 179.24 177.39 3i6a h ALA 119 N 0.85 1.01 -0.25 3.45 0.00 -1.83 -0.91 119.26 121.58 3i6a h ALA 119 Ca 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i6a h ALA 119 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i6a h ALA 119 CO -0.30 0.63 0.10 -0.22 0.00 0.00 0.00 179.25 179.45 3i6a h LYS 120 N 0.95 0.37 -0.27 0.00 1.63 -0.70 -0.63 116.57 117.92 3i6a h LYS 120 Ca 0.19 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3i6a h LYS 120 Cb 0.40 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 3i6a h LYS 120 CO 0.01 0.41 0.17 1.25 -3.45 0.00 0.00 179.45 177.85 3i6a h LEU 121 N 0.25 0.31 -0.40 5.20 5.85 -0.90 0.23 115.31 125.85 3i6a h LEU 121 Ca 0.08 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3i6a h LEU 121 Cb 0.18 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3i6a h LEU 121 CO -0.01 0.24 0.14 0.00 -0.34 0.00 0.00 178.44 178.47 3i6a h ALA 122 N 1.09 0.47 -0.06 1.25 0.00 -1.04 -0.77 119.26 120.20 3i6a h ALA 122 Ca 0.10 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3i6a h ALA 122 Cb -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3i6a h ALA 122 CO -0.02 -0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.19 3i6a h LEU 123 N 0.31 -0.15 -0.40 0.00 5.85 -0.88 -1.08 115.31 118.95 3i6a h LEU 123 Ca 0.18 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.02 3i6a h LEU 123 Cb 0.16 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 3i6a h LEU 123 CO -0.18 -0.07 -0.19 0.40 -0.34 0.00 0.00 178.44 178.06 3i6a h ILE 124 N -0.06 0.44 -0.60 4.05 2.04 -0.35 -0.03 117.51 123.00 3i6a h ILE 124 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3i6a h ILE 124 Cb 0.12 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3i6a h ILE 124 CO -0.10 0.00 0.39 0.11 0.00 0.00 0.00 178.15 178.55 3i6a h LYS 125 N -0.11 0.80 -0.72 2.37 1.57 -0.82 -0.92 116.57 118.74 3i6a h LYS 125 Ca 0.20 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3i6a h LYS 125 Cb 0.41 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3i6a h LYS 125 CO -0.48 0.55 0.44 1.49 -0.57 0.00 0.00 179.45 180.89 3i6a h GLU 126 N 0.82 0.83 -0.31 3.15 4.81 -0.71 -0.56 114.58 122.61 3i6a h GLU 126 Ca 0.22 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.25 3i6a h GLU 126 Cb -0.07 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3i6a h GLU 126 CO -0.05 0.55 -0.41 0.87 -0.73 0.00 0.00 179.01 179.25 3i6a h LYS 127 N 0.86 0.76 0.17 1.92 1.57 -0.41 -0.17 116.57 121.27 3i6a h LYS 127 Ca 0.29 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3i6a h LYS 127 Cb 0.05 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3i6a h LYS 127 CO -0.12 1.03 -0.35 0.82 -0.57 0.00 0.00 179.45 180.26 3i6a h ILE 128 N 0.62 0.26 -0.36 1.86 2.04 -0.93 0.83 117.51 121.84 3i6a h ILE 128 Ca 0.05 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.77 3i6a h ILE 128 Cb 0.97 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3i6a h ILE 128 CO 0.09 0.00 -0.31 0.50 0.00 0.00 0.00 178.15 178.43 3i6a h LYS 129 N -0.61 0.79 0.00 2.37 3.64 -0.97 -0.27 116.57 121.52 3i6a h LYS 129 Ca 0.02 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3i6a h LYS 129 Cb 0.62 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3i6a h LYS 129 CO -0.18 0.99 -1.43 -1.71 -2.27 0.00 0.00 179.45 174.85 3i6a n ASN 130 N -4.08 1.49 0.00 4.20 2.85 -0.09 -4.38 115.26 115.26 3i6a n ASN 130 Ca -0.01 -0.18 -0.03 0.00 -0.11 0.00 0.00 54.58 54.25 3i6a n ASN 130 Cb 0.49 1.51 -0.01 0.00 1.24 0.00 0.00 39.78 43.01 3i6a n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3i6a n ARG 131 N -1.85 0.15 -0.06 1.20 0.63 0.09 -4.77 116.66 112.06 3i6a n ARG 131 Ca -0.01 0.06 -0.17 0.00 -0.92 0.00 0.00 57.85 56.81 3i6a n ARG 131 Cb 0.34 -0.72 -0.13 0.00 0.45 0.00 0.00 32.46 32.40 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 -0.29 0.10 -0.81 -0.14 0.05 -1.05 -2.82 116.97 112.01 3i6a h TYR 132 Ca 0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.68 3i6a h TYR 132 Cb 0.29 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 3i6a h TYR 132 CO -0.12 1.19 0.42 0.74 -1.05 0.00 0.00 178.16 179.34 3i6a h PHE 133 N -0.87 1.14 -0.92 4.88 -1.00 -1.26 -1.08 116.94 117.83 3i6a h PHE 133 Ca -0.12 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.64 3i6a h PHE 133 Cb 1.20 -0.36 -0.05 0.00 3.61 0.00 0.00 35.95 40.36 3i6a h PHE 133 CO 0.22 0.81 0.61 -1.35 -1.61 0.00 0.00 178.31 176.99 3i6a h PRO 134 N 1.14 1.17 -0.34 1.51 0.11 -1.76 -0.65 132.00 133.19 3i6a h PRO 134 Ca 0.28 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 3i6a h PRO 134 Cb 0.07 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 3i6a h PRO 134 CO -0.04 0.78 0.12 0.00 -0.21 0.00 0.00 178.00 178.64 3i6a h ALA 135 N 1.44 0.44 -0.06 -0.75 0.00 -1.06 -1.73 119.26 117.54 3i6a h ALA 135 Ca 0.35 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 3i6a h ALA 135 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3i6a h ALA 135 CO -0.09 0.06 -0.82 0.74 0.00 0.00 0.00 179.25 179.13 3i6a h PHE 136 N 0.39 0.68 -0.19 0.00 0.04 -1.00 -2.72 116.94 114.14 3i6a h PHE 136 Ca 0.11 -0.33 0.03 0.00 2.80 0.00 0.00 57.97 60.58 3i6a h PHE 136 Cb 0.22 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 3i6a h PHE 136 CO 0.00 1.12 0.03 1.49 -0.60 0.00 0.00 178.31 180.35 3i6a h GLU 137 N 0.31 0.10 -0.70 1.51 4.57 -1.05 -2.21 114.58 117.11 3i6a h GLU 137 Ca -0.06 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.20 3i6a h GLU 137 Cb 1.43 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.93 3i6a h GLU 137 CO 0.15 0.07 0.37 -0.22 -1.18 0.00 0.00 179.01 178.19 3i6a h LYS 138 N 0.11 0.62 -0.17 1.92 3.64 -1.23 0.64 116.57 122.10 3i6a h LYS 138 Ca 0.09 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3i6a h LYS 138 Cb 0.09 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3i6a h LYS 138 CO -0.12 0.41 0.09 0.28 -2.27 0.00 0.00 179.45 177.84 3i6a h VAL 139 N 0.64 1.01 -0.77 2.00 2.07 -1.18 0.95 116.25 120.97 3i6a h VAL 139 Ca 0.34 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 3i6a h VAL 139 Cb 0.31 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3i6a h VAL 139 CO -0.24 0.03 0.41 -0.07 0.02 0.00 0.00 177.57 177.73 3i6a h LEU 140 N 0.19 0.96 -0.48 2.57 3.38 -0.95 -2.63 115.31 118.34 3i6a h LEU 140 Ca 0.07 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3i6a h LEU 140 Cb 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3i6a h LEU 140 CO -0.04 0.78 -0.41 0.50 0.09 0.00 0.00 178.44 179.36 3i6a h LYS 141 N 1.08 0.79 -0.97 1.13 3.64 -0.61 -0.35 116.57 121.28 3i6a h LYS 141 Ca 0.27 -0.42 0.17 0.00 -1.27 0.00 0.00 60.65 59.40 3i6a h LYS 141 Cb 0.04 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.79 3i6a h LYS 141 CO -0.04 1.06 0.61 0.66 -2.27 0.00 0.00 179.45 179.46 3i6a h SER 142 N 0.64 0.73 -0.00 4.20 4.64 -0.43 -3.18 113.55 120.16 3i6a h SER 142 Ca 0.05 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3i6a h SER 142 Cb 0.98 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3i6a h SER 142 CO 0.09 0.31 -0.07 0.00 -0.87 0.00 0.00 176.83 176.30 3i6a n HIS 143 N -4.66 0.00 -1.20 4.77 1.44 -1.22 -5.03 115.22 109.33 3i6a n HIS 143 Ca 0.21 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.85 3i6a n HIS 143 Cb 0.54 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.62 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 0.89 0.68 3.95 -1.39 0.00 -0.14 -4.97 105.19 104.20 3i6a n GLY 144 Ca 0.00 -0.03 -0.23 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 -2.49 3.24 0.51 1.61 -0.21 -1.26 -5.00 119.66 116.06 3i6a s GLN 145 Ca 0.00 -0.40 0.30 0.00 0.02 0.00 0.00 55.36 55.28 3i6a s GLN 145 Cb 0.00 -2.59 1.09 0.00 1.00 0.00 0.00 33.01 32.51 3i6a s GLN 145 CO 0.00 -0.11 1.88 -0.44 -2.12 0.00 0.00 175.29 174.50 3i6a h ASP 146 N 0.52 0.00 -2.94 5.90 3.32 -1.94 -3.45 116.42 117.83 3i6a h ASP 146 Ca -0.47 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 55.98 3i6a h ASP 146 Cb 1.24 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.62 3i6a h ASP 146 CO 0.59 0.04 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.05 3i6a s TYR 147 N -3.57 2.16 0.20 4.55 2.02 -1.26 -4.90 117.35 116.55 3i6a s TYR 147 Ca 0.02 -0.39 -0.08 0.00 -0.37 0.00 0.00 57.07 56.25 3i6a s TYR 147 Cb 0.08 -1.02 0.13 0.00 -0.40 0.00 0.00 41.96 40.75 3i6a s TYR 147 CO 0.58 0.53 1.72 -0.07 -1.57 0.00 0.00 175.55 176.75 3i6a h LEU 148 N 2.85 1.09 -7.62 -1.29 3.38 -1.87 -3.42 115.31 108.42 3i6a h LEU 148 Ca -0.43 -0.23 -0.34 0.00 0.09 0.00 0.00 57.88 56.98 3i6a h LEU 148 Cb 1.23 -0.29 -0.33 0.00 0.09 0.00 0.00 40.66 41.36 3i6a h LEU 148 CO 0.54 1.03 -0.75 -0.69 0.09 0.00 0.00 178.44 178.66 3i6a s VAL 149 N -5.32 0.17 -1.39 1.22 1.01 -1.26 -4.87 120.40 109.95 3i6a s VAL 149 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.93 3i6a s VAL 149 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.28 3i6a s VAL 149 CO 0.85 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.69 3i6a n GLY 150 N 4.04 1.36 4.11 4.51 0.00 -1.26 -2.92 105.19 115.03 3i6a n GLY 150 Ca -0.26 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.13 -3.74 -3.53 1.61 5.15 -1.26 -4.94 115.26 108.41 3i6a n ASN 151 Ca -0.13 -0.92 -0.16 0.00 -0.60 0.00 0.00 54.58 52.77 3i6a n ASN 151 Cb 0.44 -3.04 -0.05 0.00 -0.53 0.00 0.00 39.78 36.59 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 -6.82 1.06 0.06 1.20 -2.85 -1.15 -4.91 119.74 106.33 3i6a s LYS 152 Ca 0.72 0.02 -0.36 0.00 -1.00 0.00 0.00 55.97 55.35 3i6a s LYS 152 Cb -0.38 0.49 -0.15 0.00 -2.06 0.00 0.00 37.83 35.73 3i6a s LYS 152 CO 0.88 -0.36 1.52 -0.11 0.10 0.00 0.00 175.35 177.38 3i6a n LEU 153 N 0.64 2.42 -4.35 2.77 7.94 -1.26 -4.55 117.00 120.61 3i6a n LEU 153 Ca -0.19 1.09 -0.19 0.00 -1.11 0.00 0.00 56.01 55.61 3i6a n LEU 153 Cb 0.59 -1.29 -0.09 0.00 0.53 0.00 0.00 43.42 43.16 3i6a n LEU 153 CO 0.21 -0.61 -0.20 -0.94 -1.11 0.00 0.00 177.39 174.74 3i6a s SER 154 N 1.31 1.67 0.58 1.96 1.04 -1.26 -4.81 113.70 114.18 3i6a s SER 154 Ca 0.85 -1.55 0.28 0.00 0.48 0.00 0.00 55.95 56.01 3i6a s SER 154 Cb -0.84 0.36 1.51 0.00 0.10 0.00 0.00 66.02 67.15 3i6a s SER 154 CO 0.46 -0.87 1.96 0.08 0.98 0.00 0.00 173.24 175.85 3i6a h ARG 155 N 2.18 0.00 -0.60 4.02 0.11 -0.77 -2.77 114.38 116.55 3i6a h ARG 155 Ca -0.34 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.64 3i6a h ARG 155 Cb 1.25 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.31 3i6a h ARG 155 CO 0.54 0.00 -0.02 0.00 0.10 0.00 0.00 179.97 180.58 3i6a h ALA 156 N 1.58 0.82 -0.54 0.08 0.00 -1.90 -0.56 119.26 118.73 3i6a h ALA 156 Ca 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i6a h ALA 156 Cb 1.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3i6a h ALA 156 CO -0.00 0.68 0.35 -0.44 0.00 0.00 0.00 179.25 179.83 3i6a h ASP 157 N 0.98 0.64 -0.19 0.00 3.32 -1.90 0.14 116.42 119.42 3i6a h ASP 157 Ca 0.17 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3i6a h ASP 157 Cb 0.59 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3i6a h ASP 157 CO 0.04 0.49 0.01 0.40 -1.72 0.00 0.00 179.24 178.45 3i6a h ILE 158 N 0.73 1.25 -0.35 0.35 1.08 -1.43 -0.80 117.51 118.34 3i6a h ILE 158 Ca 0.20 -0.82 -0.15 0.00 -0.39 0.00 0.00 64.86 63.70 3i6a h ILE 158 Cb -0.05 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 3i6a h ILE 158 CO -0.04 0.25 -0.36 0.45 -0.69 0.00 0.00 178.15 177.76 3i6a h HIS 159 N 0.09 0.98 -0.18 1.37 3.86 -1.04 -1.61 115.15 118.61 3i6a h HIS 159 Ca 0.05 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 3i6a h HIS 159 Cb 0.37 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 3i6a h HIS 159 CO 0.03 1.06 0.10 1.25 0.86 0.00 0.00 177.93 181.24 3i6a h LEU 160 N 0.68 0.22 -0.93 2.43 5.85 -0.62 -2.44 115.31 120.51 3i6a h LEU 160 Ca 0.06 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3i6a h LEU 160 Cb 0.92 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 3i6a h LEU 160 CO 0.09 0.22 -0.11 0.58 -0.34 0.00 0.00 178.44 178.88 3i6a h VAL 161 N 0.20 1.25 -0.22 1.05 2.07 -0.99 0.59 116.25 120.20 3i6a h VAL 161 Ca 0.06 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.52 3i6a h VAL 161 Cb 0.05 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3i6a h VAL 161 CO -0.01 0.37 -0.01 -0.08 0.02 0.00 0.00 177.57 177.86 3i6a h GLU 162 N 0.61 0.06 -0.69 1.57 4.81 -1.22 -1.58 114.58 118.13 3i6a h GLU 162 Ca 0.11 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 3i6a h GLU 162 Cb 0.54 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 3i6a h GLU 162 CO 0.03 0.04 0.34 1.25 -0.73 0.00 0.00 179.01 179.94 3i6a h LEU 163 N 0.06 0.44 -1.21 1.64 5.85 -0.80 -2.09 115.31 119.20 3i6a h LEU 163 Ca 0.10 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3i6a h LEU 163 Cb 0.13 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3i6a h LEU 163 CO -0.18 0.26 0.31 -0.07 -0.34 0.00 0.00 178.44 178.42 3i6a h LEU 164 N 0.58 0.77 -0.83 2.25 3.38 -0.41 -0.92 115.31 120.14 3i6a h LEU 164 Ca 0.34 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3i6a h LEU 164 Cb 0.35 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3i6a h LEU 164 CO -0.26 0.64 0.43 1.88 0.09 0.00 0.00 178.44 181.22 3i6a h TYR 165 N 0.87 1.17 -0.41 1.13 0.05 -0.84 -1.80 116.97 117.14 3i6a h TYR 165 Ca 0.22 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.87 3i6a h TYR 165 Cb 0.06 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 3i6a h TYR 165 CO 0.01 0.83 -0.09 -0.92 -1.05 0.00 0.00 178.16 176.94 3i6a h TYR 166 N 1.17 0.88 -0.15 4.88 5.03 -0.89 -2.69 116.97 125.19 3i6a h TYR 166 Ca 0.29 -0.18 -0.11 0.00 2.58 0.00 0.00 58.73 61.30 3i6a h TYR 166 Cb 0.07 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.13 3i6a h TYR 166 CO 0.01 0.90 -0.39 0.28 -1.32 0.00 0.00 178.16 177.64 3i6a h VAL 167 N 0.61 1.30 -0.18 1.81 2.07 -1.12 -1.04 116.25 119.70 3i6a h VAL 167 Ca 0.11 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.14 3i6a h VAL 167 Cb 0.61 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 3i6a h VAL 167 CO 0.04 0.46 0.01 -0.08 0.02 0.00 0.00 177.57 178.02 3i6a h GLU 168 N 0.28 0.08 -0.70 1.57 4.81 -1.29 -0.22 114.58 119.11 3i6a h GLU 168 Ca 0.03 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3i6a h GLU 168 Cb 0.82 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.13 3i6a h GLU 168 CO 0.07 0.05 0.40 0.93 -0.73 0.00 0.00 179.01 179.73 3i6a h GLU 169 N 0.08 0.72 -0.03 1.92 5.08 -1.01 -2.97 114.58 118.36 3i6a h GLU 169 Ca 0.08 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3i6a h GLU 169 Cb 0.09 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3i6a h GLU 169 CO -0.13 0.47 -0.01 1.25 -1.00 0.00 0.00 179.01 179.60 3i6a h LEU 170 N 0.74 0.06 -6.00 1.33 6.46 -1.00 -3.44 115.31 113.45 3i6a h LEU 170 Ca 0.31 -0.36 0.09 0.00 -0.12 0.00 0.00 57.88 57.80 3i6a h LEU 170 Cb 0.18 -0.02 -0.21 0.00 -0.73 0.00 0.00 40.66 39.88 3i6a h LEU 170 CO -0.18 0.40 -0.26 -0.62 -0.62 0.00 0.00 178.44 177.16 3i6a s ASP 171 N -5.62 -1.33 0.00 1.25 -1.08 -0.11 -5.04 116.67 104.73 3i6a s ASP 171 Ca -0.15 0.49 0.18 0.00 -0.52 0.00 0.00 52.55 52.56 3i6a s ASP 171 Cb 0.03 1.98 0.80 0.00 -1.46 0.00 0.00 42.92 44.27 3i6a s ASP 171 CO 0.68 -0.25 1.59 -1.54 0.52 0.00 0.00 175.17 176.17 3i6a n SER 172 N 5.41 0.00 0.17 -0.34 3.41 -1.13 -2.35 113.62 118.78 3i6a n SER 172 Ca 0.02 0.47 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 3i6a n SER 172 Cb 0.53 -0.49 0.37 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.08 4.04 4.64 -1.89 -3.37 113.55 117.04 3i6a h SER 173 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3i6a h SER 173 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3i6a h SER 173 CO 0.00 0.00 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.68 3i6a h LEU 174 N 0.00 0.24 0.00 5.97 3.38 -1.79 -1.42 115.31 121.68 3i6a h LEU 174 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3i6a h LEU 174 Cb 0.75 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3i6a h LEU 174 CO 0.00 0.46 -0.11 0.00 0.09 0.00 0.00 178.44 178.88 3i6a n ILE 175 N -4.20 0.09 -0.03 1.22 3.06 -1.26 -4.35 119.36 113.88 3i6a n ILE 175 Ca -0.01 -0.05 0.06 0.00 -2.50 0.00 0.00 62.75 60.26 3i6a n ILE 175 Cb 0.33 -0.37 0.44 0.00 0.54 0.00 0.00 39.64 40.57 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 0.46 0.14 9.51 4.64 -1.47 0.48 113.55 127.31 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 0.54 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3i6a h SER 176 CO 0.00 0.32 -0.01 -0.24 -0.87 0.00 0.00 176.83 176.03 3i6a n SER 177 N -4.47 0.13 -3.68 4.97 2.88 -1.26 -4.55 113.62 107.63 3i6a n SER 177 Ca 0.05 -0.83 -0.29 0.00 -1.33 0.00 0.00 58.87 56.47 3i6a n SER 177 Cb 0.15 -0.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.46 3i6a n SER 177 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3i6a n PHE 178 N -0.98 3.51 0.18 0.66 3.72 0.16 -4.96 117.46 119.75 3i6a n PHE 178 Ca 0.21 -4.13 0.06 0.00 -0.05 0.00 0.00 57.45 53.55 3i6a n PHE 178 Cb 0.16 -0.67 0.55 0.00 -0.94 0.00 0.00 39.48 38.58 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 4.81 0.14 -0.11 -1.08 0.13 -1.80 -2.11 132.00 131.98 3i6a h PRO 179 Ca 0.18 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 65.10 3i6a h PRO 179 Cb 0.70 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3i6a h PRO 179 CO 0.83 0.13 -0.74 -0.07 -0.23 0.00 0.00 178.00 177.92 3i6a h LEU 180 N 0.15 0.67 -0.63 1.56 3.38 -1.94 -1.84 115.31 116.65 3i6a h LEU 180 Ca 0.04 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3i6a h LEU 180 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3i6a h LEU 180 CO -0.00 1.20 0.40 -0.07 0.09 0.00 0.00 178.44 180.06 3i6a h LEU 181 N 0.39 0.74 -0.38 1.67 3.38 -1.81 -0.33 115.31 118.97 3i6a h LEU 181 Ca -0.04 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3i6a h LEU 181 Cb 1.34 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3i6a h LEU 181 CO 0.14 0.56 0.23 0.11 0.09 0.00 0.00 178.44 179.57 3i6a h LYS 182 N 0.86 0.46 -0.61 1.13 1.57 -1.19 -0.68 116.57 118.10 3i6a h LYS 182 Ca 0.23 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3i6a h LYS 182 Cb -0.07 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3i6a h LYS 182 CO -0.05 0.30 0.22 0.00 -0.57 0.00 0.00 179.45 179.36 3i6a h ALA 183 N 1.16 0.80 -0.52 3.86 0.00 -1.03 -2.02 119.26 121.51 3i6a h ALA 183 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i6a h ALA 183 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3i6a h ALA 183 CO -0.06 0.44 0.34 1.25 0.00 0.00 0.00 179.25 181.23 3i6a h LEU 184 N 0.87 0.60 -1.04 0.00 5.85 -0.86 -1.37 115.31 119.36 3i6a h LEU 184 Ca 0.20 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3i6a h LEU 184 Cb 0.25 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3i6a h LEU 184 CO -0.01 0.44 0.64 0.50 -0.34 0.00 0.00 178.44 179.67 3i6a h LYS 185 N 0.71 1.10 0.20 1.25 3.64 -0.66 -1.18 116.57 121.63 3i6a h LYS 185 Ca 0.19 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3i6a h LYS 185 Cb -0.07 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.50 3i6a h LYS 185 CO -0.04 0.73 -0.10 1.15 -2.27 0.00 0.00 179.45 178.92 3i6a h THR 186 N 1.13 0.87 -0.16 1.00 2.02 -1.04 -2.15 112.91 114.58 3i6a h THR 186 Ca 0.43 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.80 3i6a h THR 186 Cb 0.20 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 3i6a h THR 186 CO -0.17 0.18 -0.34 0.03 0.37 0.00 0.00 175.52 175.58 3i6a h ARG 187 N -0.73 -0.39 -0.96 6.66 3.08 -1.12 -2.54 114.38 118.38 3i6a h ARG 187 Ca -0.03 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i6a h ARG 187 Cb 0.50 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 3i6a h ARG 187 CO 0.05 -0.26 0.60 0.82 -1.07 0.00 0.00 179.97 180.11 3i6a h ILE 188 N -0.40 1.26 0.00 2.04 1.08 -1.29 -2.15 117.51 118.04 3i6a h ILE 188 Ca 0.10 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 64.04 3i6a h ILE 188 Cb 0.56 -0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3i6a h ILE 188 CO -0.38 0.26 -0.01 0.28 -0.69 0.00 0.00 178.15 177.61 3i6a h SER 189 N 1.32 0.00 0.24 1.72 0.02 -1.18 -2.28 113.55 113.39 3i6a h SER 189 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3i6a h SER 189 Cb -0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3i6a h SER 189 CO -0.07 0.01 -0.37 0.59 -1.14 0.00 0.00 176.83 175.85 3i6a n ASN 190 N -3.89 1.05 -4.72 3.07 3.02 -0.82 -2.88 115.26 110.08 3i6a n ASN 190 Ca -0.03 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 3i6a n ASN 190 Cb 0.10 0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 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 -2.62 4.37 0.26 3.41 1.43 -0.86 -4.77 118.68 119.90 3i6a s LEU 191 Ca 0.20 2.54 -0.12 0.00 -1.03 0.00 0.00 54.13 55.72 3i6a s LEU 191 Cb 0.19 -3.60 0.36 0.00 0.03 0.00 0.00 46.19 43.17 3i6a s LEU 191 CO 0.58 -0.74 1.56 -0.65 0.23 0.00 0.00 176.35 177.33 3i6a h PRO 192 N 6.40 -0.00 -0.53 1.29 0.11 -1.90 0.33 132.00 137.71 3i6a h PRO 192 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 3i6a h PRO 192 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3i6a h PRO 192 CO 0.87 -0.00 0.03 1.79 -0.21 0.00 0.00 178.00 180.48 3i6a h THR 193 N -0.00 1.26 -0.13 -1.15 1.35 -1.87 -1.29 112.91 111.08 3i6a h THR 193 Ca 0.42 -1.04 -0.15 0.00 -0.55 0.00 0.00 66.41 65.08 3i6a h THR 193 Cb 0.67 0.89 0.01 0.00 -1.73 0.00 0.00 68.15 67.98 3i6a h THR 193 CO -1.00 0.37 -0.52 0.58 -0.25 0.00 0.00 175.52 174.71 3i6a h VAL 194 N 0.79 1.34 -0.69 6.82 2.07 -1.39 -1.99 116.25 123.20 3i6a h VAL 194 Ca 0.15 -1.80 0.10 0.00 0.82 0.00 0.00 66.70 65.97 3i6a h VAL 194 Cb 0.48 2.09 -0.08 0.00 -1.52 0.00 0.00 31.29 32.27 3i6a h VAL 194 CO 0.02 0.55 0.30 0.50 0.02 0.00 0.00 177.57 178.96 3i6a h LYS 195 N 0.22 0.49 -0.82 1.57 3.64 -0.27 0.21 116.57 121.62 3i6a h LYS 195 Ca -0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3i6a h LYS 195 Cb 1.15 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 3i6a h LYS 195 CO 0.11 0.32 0.43 -0.22 -2.27 0.00 0.00 179.45 177.82 3i6a h LYS 196 N 0.51 1.15 -0.02 1.90 3.64 -1.07 -2.11 116.57 120.56 3i6a h LYS 196 Ca 0.35 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3i6a h LYS 196 Cb 0.43 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3i6a h LYS 196 CO -0.31 0.87 -0.45 0.35 -2.27 0.00 0.00 179.45 177.63 3i6a h PHE 197 N 1.15 0.06 0.00 1.91 3.57 -0.39 -3.03 116.94 120.21 3i6a h PHE 197 Ca 0.29 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3i6a h PHE 197 Cb 0.07 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3i6a h PHE 197 CO 0.01 0.50 0.00 -0.07 -2.23 0.00 0.00 178.31 176.51 3i6a h LEU 198 N 0.04 0.00-10.14 0.59 3.38 -0.14 -3.41 115.31 105.63 3i6a h LEU 198 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3i6a h LEU 198 Cb 0.82 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.69 3i6a h LEU 198 CO 0.06 0.00 0.43 -1.10 0.09 0.00 0.00 178.44 177.92 3i6a s GLN 199 N -3.40 2.64 0.49 1.13 -0.21 -0.84 -4.97 119.66 114.50 3i6a s GLN 199 Ca 0.05 1.72 -0.22 0.00 0.02 0.00 0.00 55.36 56.93 3i6a s GLN 199 Cb 0.07 -1.90 -0.08 0.00 1.00 0.00 0.00 33.01 32.10 3i6a s GLN 199 CO 0.61 -1.44 1.02 -2.30 -2.12 0.00 0.00 175.29 171.06 3i6a n PRO 200 N -2.14 1.27 -0.68 2.91 -0.02 -1.26 -3.11 135.00 131.97 3i6a n PRO 200 Ca 0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3i6a n PRO 200 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.18 1.28 3.77 -1.23 0.00 -1.26 -5.05 105.19 103.88 3i6a n GLY 201 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.15 2.22 0.00 1.61 1.04 -1.18 -4.94 113.70 109.30 3i6a s SER 202 Ca 0.00 0.49 0.16 0.00 0.48 0.00 0.00 55.95 57.08 3i6a s SER 202 Cb 0.00 -0.67 0.81 0.00 0.10 0.00 0.00 66.02 66.26 3i6a s SER 202 CO 0.00 -3.31 1.45 -2.65 0.98 0.00 0.00 173.24 169.71 3i6a n PRO 203 N -4.19 0.24 -1.65 4.02 -0.02 -1.26 -4.83 135.00 127.31 3i6a n PRO 203 Ca 0.13 0.13 -0.46 0.00 -2.02 0.00 0.00 63.50 61.28 3i6a n PRO 203 Cb 0.59 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.54 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 -1.27 1.86 -3.72 -0.52 0.63 -1.26 -4.96 116.66 107.41 3i6a n ARG 204 Ca 0.08 0.66 -0.29 0.00 -0.92 0.00 0.00 57.85 57.38 3i6a n ARG 204 Cb 0.12 -2.30 -0.04 0.00 0.45 0.00 0.00 32.46 30.69 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 -0.21 3.53 0.89 -0.14 -0.14 -1.26 -5.01 119.74 117.40 3i6a s LYS 205 Ca 0.71 -0.30 -0.12 0.00 -1.36 0.00 0.00 55.97 54.90 3i6a s LYS 205 Cb -0.70 -2.87 0.13 0.00 -1.68 0.00 0.00 37.83 32.71 3i6a s LYS 205 CO 0.49 0.45 1.10 -1.25 -0.76 0.00 0.00 175.35 175.37 3i6a s PRO 206 N -3.06 1.30 0.63 -1.68 0.04 -1.26 -4.90 135.00 126.08 3i6a s PRO 206 Ca 0.39 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 61.91 3i6a s PRO 206 Cb -0.11 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 3i6a s PRO 206 CO 0.28 -2.17 1.21 -1.25 0.04 0.00 0.00 177.00 175.11 3i6a s PRO 207 N -5.03 2.73 0.25 0.56 0.04 -1.26 -4.39 135.00 127.89 3i6a s PRO 207 Ca 0.63 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 3i6a s PRO 207 Cb -0.17 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 3i6a s PRO 207 CO 0.56 -1.39 1.43 -1.25 0.04 0.00 0.00 177.00 176.39 3i6a s PRO 208 N -3.51 4.27 0.51 0.56 0.04 -1.26 -5.01 135.00 130.61 3i6a s PRO 208 Ca 0.77 2.29 0.06 0.00 0.04 0.00 0.00 61.00 64.15 3i6a s PRO 208 Cb -0.30 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.14 3i6a s PRO 208 CO 0.37 -0.41 0.35 0.16 0.04 0.00 0.00 177.00 177.51 3i6a s ASP 209 N 0.34 4.62 0.63 6.66 1.47 -1.26 -4.99 116.67 124.15 3i6a s ASP 209 Ca 0.59 -1.19 0.41 0.00 1.18 0.00 0.00 52.55 53.54 3i6a s ASP 209 Cb -0.42 0.18 2.11 0.00 -0.34 0.00 0.00 42.92 44.46 3i6a s ASP 209 CO 0.43 -0.96 2.27 -0.33 0.68 0.00 0.00 175.17 177.26 3i6a h GLU 210 N 0.91 0.00 0.06 2.11 4.39 -1.99 -1.64 114.58 118.41 3i6a h GLU 210 Ca -0.39 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.14 3i6a h GLU 210 Cb 1.29 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.96 3i6a h GLU 210 CO 0.60 0.01 -0.73 0.82 -1.16 0.00 0.00 179.01 178.55 3i6a h ILE 211 N 0.00 1.45 -0.29 3.13 5.03 -1.98 -1.63 117.51 123.22 3i6a h ILE 211 Ca -0.00 -2.27 0.04 0.00 -0.12 0.00 0.00 64.86 62.51 3i6a h ILE 211 Cb 0.14 2.81 -0.03 0.00 -3.03 0.00 0.00 36.82 36.71 3i6a h ILE 211 CO 0.00 0.66 0.08 0.22 -0.68 0.00 0.00 178.15 178.43 3i6a h TYR 212 N -0.17 0.14 -0.50 1.37 5.03 -1.79 0.16 116.97 121.22 3i6a h TYR 212 Ca -0.11 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.29 3i6a h TYR 212 Cb 1.47 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 39.67 3i6a h TYR 212 CO 0.16 0.06 0.18 0.28 -1.32 0.00 0.00 178.16 177.52 3i6a h VAL 213 N 0.20 0.83 -0.09 1.81 2.07 -1.35 -0.43 116.25 119.29 3i6a h VAL 213 Ca 0.13 -0.12 -0.15 0.00 0.82 0.00 0.00 66.70 67.38 3i6a h VAL 213 Cb 0.12 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3i6a h VAL 213 CO -0.15 0.06 -0.60 -0.09 0.02 0.00 0.00 177.57 176.81 3i6a h ARG 214 N 0.36 0.30 -0.18 1.57 2.43 -0.81 -1.16 114.38 116.88 3i6a h ARG 214 Ca 0.24 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3i6a h ARG 214 Cb 0.26 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3i6a h ARG 214 CO -0.25 0.81 0.12 1.15 -1.51 0.00 0.00 179.97 180.29 3i6a h THR 215 N 0.22 1.05 -0.07 0.20 2.02 -0.20 0.47 112.91 116.61 3i6a h THR 215 Ca -0.01 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3i6a h THR 215 Cb 1.11 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 3i6a h THR 215 CO 0.10 0.05 -0.06 0.58 0.37 0.00 0.00 175.52 176.56 3i6a h VAL 216 N 0.24 0.82 -0.46 3.16 2.07 -0.68 -0.85 116.25 120.55 3i6a h VAL 216 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3i6a h VAL 216 Cb -0.02 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3i6a h VAL 216 CO -0.01 0.00 0.22 1.88 0.02 0.00 0.00 177.57 179.68 3i6a h TYR 217 N -0.08 0.41 -0.13 1.57 0.05 -1.19 -2.12 116.97 115.48 3i6a h TYR 217 Ca 0.05 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.89 3i6a h TYR 217 Cb 0.15 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3i6a h TYR 217 CO -0.16 0.20 0.10 -0.91 -1.05 0.00 0.00 178.16 176.33 3i6a h ASN 218 N 0.44 0.00 -0.00 3.88 4.21 -0.44 0.56 115.58 124.23 3i6a h ASN 218 Ca 0.20 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.70 3i6a h ASN 218 Cb 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3i6a h ASN 218 CO -0.15 0.00 -0.03 0.40 -1.29 0.00 0.00 177.43 176.36 3i6a h ILE 219 N 0.00 1.59 0.07 2.81 2.04 -0.56 -2.89 117.51 120.57 3i6a h ILE 219 Ca 0.06 -1.78 -0.24 0.00 1.00 0.00 0.00 64.86 63.90 3i6a h ILE 219 Cb 0.26 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 3i6a h ILE 219 CO -0.00 0.47 -1.10 -0.26 0.00 0.00 0.00 178.15 177.25 3i6a h PHE 220 N -0.71 0.30 -2.37 1.37 0.04 -1.02 -3.38 116.94 111.18 3i6a h PHE 220 Ca -0.00 -0.21 -0.59 0.00 2.80 0.00 0.00 57.97 59.97 3i6a h PHE 220 Cb 0.78 -0.02 -0.40 0.00 2.20 0.00 0.00 35.95 38.52 3i6a h PHE 220 CO 0.19 1.14 -0.89 2.89 -0.60 0.00 0.00 178.31 181.04 3i6a n ARG 221 N -3.49 0.96 0.00 1.51 1.85 0.19 -5.10 116.66 112.59 3i6a n ARG 221 Ca -0.05 -3.64 0.08 0.00 -1.00 0.00 0.00 57.85 53.25 3i6a n ARG 221 Cb 0.96 -1.73 0.50 0.00 -1.05 0.00 0.00 32.46 31.14 3i6a n ARG 221 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27