#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6a n GLU 3 N 0.00 0.00 -3.57 0.00 -0.00 -1.26 -5.12 120.64 110.70 3i6a n GLU 3 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.16 56.80 3i6a n GLU 3 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.37 3i6a n GLU 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3i6a s LYS 4 N -0.24 4.25 0.50 3.44 1.02 -1.26 -5.00 119.74 122.45 3i6a s LYS 4 Ca 0.00 0.05 -0.23 0.00 0.02 0.00 0.00 55.97 55.80 3i6a s LYS 4 Cb 0.00 -3.43 -0.06 0.00 -0.52 0.00 0.00 37.83 33.82 3i6a s LYS 4 CO 0.00 0.25 1.38 -2.14 -0.92 0.00 0.00 175.35 173.91 3i6a s PRO 5 N 0.46 3.39 -0.21 -1.68 0.02 -1.26 -4.80 135.00 130.91 3i6a s PRO 5 Ca 0.15 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.45 3i6a s PRO 5 Cb -0.13 -2.43 0.01 0.00 0.02 0.00 0.00 34.50 31.98 3i6a s PRO 5 CO 0.03 -1.01 -0.11 0.21 -0.33 0.00 0.00 177.00 175.79 3i6a s LYS 6 N -2.71 3.06 -0.25 5.54 2.20 -0.18 -1.57 119.74 125.82 3i6a s LYS 6 Ca 0.67 -0.81 -0.18 0.00 -0.36 0.00 0.00 55.97 55.29 3i6a s LYS 6 Cb -0.41 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 3i6a s LYS 6 CO 0.51 -0.27 0.51 -0.51 -0.36 0.00 0.00 175.35 175.23 3i6a s LEU 7 N 1.36 4.07 -0.43 5.43 1.02 0.89 -1.42 118.68 129.60 3i6a s LEU 7 Ca 0.04 0.54 -0.12 0.00 0.02 0.00 0.00 54.13 54.60 3i6a s LEU 7 Cb -0.15 -2.65 0.06 0.00 0.02 0.00 0.00 46.19 43.47 3i6a s LEU 7 CO -0.07 -0.26 0.30 -1.00 0.02 0.00 0.00 176.35 175.34 3i6a s HIS 8 N 2.16 3.28 0.34 0.29 3.76 0.56 -1.20 115.29 124.49 3i6a s HIS 8 Ca 0.21 -1.12 -0.16 0.00 -0.15 0.00 0.00 55.06 53.85 3i6a s HIS 8 Cb -0.16 -2.89 0.04 0.00 1.11 0.00 0.00 32.58 30.68 3i6a s HIS 8 CO 0.09 -0.77 0.73 -0.47 -0.85 0.00 0.00 174.74 173.48 3i6a s TYR 9 N 1.55 0.10 0.83 1.40 5.04 -1.21 -2.48 117.35 122.58 3i6a s TYR 9 Ca 0.03 -0.67 -0.11 0.00 -2.44 0.00 0.00 57.07 53.88 3i6a s TYR 9 Cb -0.22 0.70 0.09 0.00 0.35 0.00 0.00 41.96 42.88 3i6a s TYR 9 CO 0.05 -1.41 1.09 -0.59 -1.34 0.00 0.00 175.55 173.35 3i6a s PHE 10 N -2.94 2.61 -1.29 4.97 -0.71 -1.26 -0.80 117.98 118.56 3i6a s PHE 10 Ca 0.16 1.27 -0.18 0.00 -1.04 0.00 0.00 56.93 57.14 3i6a s PHE 10 Cb -0.05 -3.11 0.08 0.00 -1.21 0.00 0.00 43.02 38.73 3i6a s PHE 10 CO 0.11 -1.98 1.71 1.21 -1.34 0.00 0.00 175.22 174.92 3i6a s ASN 11 N -3.63 6.85 0.00 1.98 3.84 -1.26 -4.80 114.94 117.91 3i6a s ASN 11 Ca 0.62 -2.47 0.00 0.00 0.21 0.00 0.00 52.86 51.22 3i6a s ASN 11 Cb -0.16 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 3i6a s ASN 11 CO 0.56 -1.15 0.00 0.61 -2.79 0.00 0.00 177.10 174.33 3i6a n GLY 12 N 5.34 -0.40 0.00 1.21 0.00 -1.26 -5.02 105.19 105.06 3i6a n GLY 12 Ca 0.48 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.03 0.00 0.00 1.61 1.74 -1.26 -4.74 116.66 113.98 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 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 3i6a n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i6a n GLY 14 N 0.85 2.61 0.37 -0.13 0.00 -1.26 -2.45 105.19 105.18 3i6a n GLY 14 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3i6a n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6a n ARG 15 N 14.00 1.08 0.07 1.61 1.74 -1.26 -3.93 116.66 129.97 3i6a n ARG 15 Ca 0.00 -0.75 0.11 0.00 -0.77 0.00 0.00 57.85 56.44 3i6a n ARG 15 Cb 0.00 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 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 -0.31 0.55 -0.13 5.56 1.56 -1.02 -4.56 117.12 118.77 3i6a n MET 16 Ca 0.12 0.04 -0.04 0.00 -0.27 0.00 0.00 57.70 57.55 3i6a n MET 16 Cb 0.40 -1.73 0.17 0.00 2.15 0.00 0.00 33.22 34.21 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 0.83 0.00 2.12 4.57 -1.61 -0.79 114.58 119.69 3i6a h GLU 17 Ca 0.00 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 3i6a h GLU 17 Cb 0.94 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 3i6a h GLU 17 CO 0.00 0.78 -0.07 0.66 -1.18 0.00 0.00 179.01 179.20 3i6a h SER 18 N 0.79 0.00 0.17 1.04 4.64 -1.85 -1.15 113.55 117.19 3i6a h SER 18 Ca 0.16 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.23 3i6a h SER 18 Cb 0.36 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3i6a h SER 18 CO 0.01 0.07 -1.01 0.74 -0.87 0.00 0.00 176.83 175.77 3i6a h THR 19 N 0.00 1.34 0.08 2.95 2.02 -1.45 -1.78 112.91 116.07 3i6a h THR 19 Ca -0.00 -2.36 -0.00 0.00 0.77 0.00 0.00 66.41 64.82 3i6a h THR 19 Cb 0.15 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 3i6a h THR 19 CO 0.01 0.72 -0.04 0.03 0.37 0.00 0.00 175.52 176.61 3i6a h ARG 20 N 0.31 -0.11 -0.39 6.66 3.08 -0.84 -0.03 114.38 123.07 3i6a h ARG 20 Ca -0.11 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.03 3i6a h ARG 20 Cb 1.66 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.65 3i6a h ARG 20 CO 0.19 0.00 -0.32 -1.49 -1.07 0.00 0.00 179.97 177.28 3i6a h TRP 21 N -0.20 -0.88 -0.15 3.04 4.06 -1.26 -1.40 115.95 119.17 3i6a h TRP 21 Ca -0.01 0.06 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 3i6a h TRP 21 Cb 0.16 0.44 -0.01 0.00 -1.00 0.00 0.00 29.16 28.76 3i6a h TRP 21 CO -0.05 -0.38 0.04 1.25 -3.56 0.00 0.00 178.44 175.75 3i6a h LEU 22 N -0.25 0.22 -0.82 -4.49 5.85 -1.12 0.17 115.31 114.86 3i6a h LEU 22 Ca 0.17 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.77 3i6a h LEU 22 Cb 0.53 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 3i6a h LEU 22 CO -0.53 0.38 0.47 -0.07 -0.34 0.00 0.00 178.44 178.35 3i6a h LEU 23 N 0.05 0.68 -0.09 2.25 3.38 -0.99 -2.13 115.31 118.46 3i6a h LEU 23 Ca 0.05 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3i6a h LEU 23 Cb 0.24 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3i6a h LEU 23 CO -0.00 0.39 -0.13 0.00 0.09 0.00 0.00 178.44 178.78 3i6a h ALA 24 N 1.45 0.13 -0.95 1.53 0.00 -0.66 -0.72 119.26 120.04 3i6a h ALA 24 Ca 0.40 -0.33 0.24 0.00 0.00 0.00 0.00 54.91 55.21 3i6a h ALA 24 Cb 0.36 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.00 3i6a h ALA 24 CO -0.24 0.02 0.50 0.00 0.00 0.00 0.00 179.25 179.53 3i6a h ALA 25 N 0.53 1.64 -0.08 0.00 0.00 -0.61 -1.27 119.26 119.48 3i6a h ALA 25 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i6a h ALA 25 Cb 0.69 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3i6a h ALA 25 CO 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 178.97 3i6a n ALA 26 N -2.39 2.57 -1.88 0.00 0.00 -0.81 -4.74 120.51 113.26 3i6a n ALA 26 Ca 0.25 -0.37 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 3i6a n ALA 26 Cb 0.72 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 1.03 0.30 3.38 0.00 0.00 -0.48 -5.03 105.19 104.40 3i6a n GLY 27 Ca 0.17 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 3i6a n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6a s VAL 28 N -2.18 3.98 0.31 1.61 1.01 -0.31 -5.03 120.40 119.80 3i6a s VAL 28 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 3i6a s VAL 28 Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.36 3i6a s VAL 28 CO 0.00 0.26 1.12 -1.61 0.00 0.00 0.00 175.10 174.87 3i6a s GLU 29 N 1.54 4.50 0.19 2.72 2.02 -1.26 -4.37 118.70 124.04 3i6a s GLU 29 Ca 0.05 1.81 -0.03 0.00 0.02 0.00 0.00 54.97 56.81 3i6a s GLU 29 Cb -0.16 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.00 3i6a s GLU 29 CO 0.02 0.08 0.18 -0.59 0.02 0.00 0.00 175.26 174.97 3i6a s PHE 30 N -1.25 0.94 0.23 1.61 -0.12 -1.26 -4.13 117.98 114.00 3i6a s PHE 30 Ca 0.48 -1.22 0.11 0.00 -0.05 0.00 0.00 56.93 56.26 3i6a s PHE 30 Cb -0.31 -0.40 -0.05 0.00 -0.63 0.00 0.00 43.02 41.63 3i6a s PHE 30 CO 0.40 -0.68 -0.20 -1.21 -0.05 0.00 0.00 175.22 173.48 3i6a s GLU 31 N -4.11 1.68 -0.04 1.99 2.02 -0.61 -4.99 118.70 114.65 3i6a s GLU 31 Ca 0.33 -1.60 0.04 0.00 0.02 0.00 0.00 54.97 53.76 3i6a s GLU 31 Cb 0.06 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.43 3i6a s GLU 31 CO 0.09 0.37 -0.15 -1.21 0.02 0.00 0.00 175.26 174.39 3i6a s GLU 32 N -3.09 1.60 -0.39 1.61 2.02 -1.26 -0.08 118.70 119.10 3i6a s GLU 32 Ca 0.26 -0.52 -0.09 0.00 0.02 0.00 0.00 54.97 54.63 3i6a s GLU 32 Cb -0.07 -1.39 0.06 0.00 0.10 0.00 0.00 34.13 32.83 3i6a s GLU 32 CO 0.13 0.19 0.22 0.21 0.02 0.00 0.00 175.26 176.03 3i6a s LYS 33 N 0.15 2.67 -0.07 1.61 2.20 -0.34 -4.92 119.74 121.04 3i6a s LYS 33 Ca -0.05 -1.31 -0.28 0.00 -0.36 0.00 0.00 55.97 53.97 3i6a s LYS 33 Cb -0.11 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 3i6a s LYS 33 CO 0.02 -0.84 0.89 -0.06 -0.36 0.00 0.00 175.35 175.00 3i6a s PHE 34 N 1.46 3.56 -0.35 4.03 0.08 -1.26 -3.35 117.98 122.15 3i6a s PHE 34 Ca 0.02 1.49 -0.29 0.00 0.12 0.00 0.00 56.93 58.27 3i6a s PHE 34 Cb -0.21 -3.04 0.02 0.00 -0.57 0.00 0.00 43.02 39.21 3i6a s PHE 34 CO 0.04 -0.08 1.13 0.42 -0.10 0.00 0.00 175.22 176.63 3i6a s ILE 35 N 1.39 4.38 -0.50 0.64 1.01 0.02 -4.91 121.20 123.23 3i6a s ILE 35 Ca 0.45 1.55 0.14 0.00 0.00 0.00 0.00 60.65 62.79 3i6a s ILE 35 Cb -0.19 -4.41 -0.17 0.00 0.01 0.00 0.00 42.46 37.70 3i6a s ILE 35 CO 0.21 -0.60 0.52 0.29 0.00 0.00 0.00 174.94 175.36 3i6a n LYS 36 N 7.16 1.91 -3.80 2.79 4.76 -1.26 -4.29 118.16 125.43 3i6a n LYS 36 Ca 0.12 -0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.44 3i6a n LYS 36 Cb 0.47 -1.20 -0.06 0.00 -1.84 0.00 0.00 35.03 32.40 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 -2.65 0.01 0.39 4.39 1.04 -1.26 -4.92 113.70 110.71 3i6a s SER 37 Ca 0.03 -0.58 0.22 0.00 0.48 0.00 0.00 55.95 56.10 3i6a s SER 37 Cb 0.10 0.39 1.24 0.00 0.10 0.00 0.00 66.02 67.85 3i6a s SER 37 CO 0.58 -0.78 1.66 0.00 0.98 0.00 0.00 173.24 175.68 3i6a h ALA 38 N 2.62 2.32 -0.21 5.32 0.00 -1.70 -1.91 119.26 125.70 3i6a h ALA 38 Ca -0.34 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3i6a h ALA 38 Cb 1.22 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3i6a h ALA 38 CO 0.53 -0.92 -0.43 0.93 0.00 0.00 0.00 179.25 179.35 3i6a h GLU 39 N 0.22 0.52 -0.34 0.00 3.07 -1.93 -0.46 114.58 115.66 3i6a h GLU 39 Ca 0.75 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 59.30 3i6a h GLU 39 Cb 2.04 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.94 3i6a h GLU 39 CO -0.49 0.86 0.08 -0.44 -1.40 0.00 0.00 179.01 177.62 3i6a h ASP 40 N 0.42 0.52 0.05 1.42 3.32 -1.75 -1.23 116.42 119.17 3i6a h ASP 40 Ca 0.03 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3i6a h ASP 40 Cb 0.93 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3i6a h ASP 40 CO 0.08 0.62 -0.02 0.25 -1.72 0.00 0.00 179.24 178.44 3i6a h LEU 41 N 0.40 -0.06 -1.58 1.55 5.85 -1.32 -2.26 115.31 117.88 3i6a h LEU 41 Ca 0.11 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3i6a h LEU 41 Cb 0.30 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3i6a h LEU 41 CO 0.00 -0.02 -0.20 0.44 -0.34 0.00 0.00 178.44 178.33 3i6a h ASP 42 N -0.09 0.00 -0.39 1.25 3.32 -1.00 -1.20 116.42 118.31 3i6a h ASP 42 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3i6a h ASP 42 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3i6a h ASP 42 CO 0.01 0.20 0.01 0.50 -1.72 0.00 0.00 179.24 178.24 3i6a h LYS 43 N 0.00 0.69 -0.24 3.56 1.63 -0.88 -1.07 116.57 120.26 3i6a h LYS 43 Ca -0.00 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.58 3i6a h LYS 43 Cb 0.50 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 3i6a h LYS 43 CO 0.03 0.77 0.14 -0.07 -3.45 0.00 0.00 179.45 176.87 3i6a h LEU 44 N 0.52 0.29 0.30 5.20 3.38 -0.76 -1.59 115.31 122.65 3i6a h LEU 44 Ca 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i6a h LEU 44 Cb 0.45 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3i6a h LEU 44 CO 0.02 0.25 -0.15 0.03 0.09 0.00 0.00 178.44 178.68 3i6a h ARG 45 N 0.30 -0.39 -0.58 1.13 3.08 -1.20 -2.47 114.38 114.24 3i6a h ARG 45 Ca 0.09 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.23 3i6a h ARG 45 Cb 0.02 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3i6a h ARG 45 CO -0.02 -0.25 0.39 -0.91 -1.07 0.00 0.00 179.97 178.11 3i6a h ASN 46 N -0.42 0.48 0.33 7.04 4.21 -1.15 -1.63 115.58 124.43 3i6a h ASN 46 Ca -0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.47 3i6a h ASN 46 Cb 0.32 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 3i6a h ASN 46 CO 0.07 0.31 0.00 0.47 -1.29 0.00 0.00 177.43 176.99 3i6a n ASP 47 N -4.48 0.00 -0.52 5.81 8.00 -0.60 -4.91 116.55 119.85 3i6a n ASP 47 Ca 0.08 -0.36 -0.05 0.00 0.71 0.00 0.00 54.79 55.17 3i6a n ASP 47 Cb 0.25 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.91 0.30 0.13 0.44 0.00 -0.61 -4.95 105.19 101.41 3i6a n GLY 48 Ca 0.16 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.75 0.00 -4.00 1.61 4.01 -0.95 -4.76 117.16 109.32 3i6a n TYR 49 Ca -0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.37 3i6a n TYR 49 Cb 0.46 -0.18 -0.15 0.00 -0.31 0.00 0.00 39.34 39.17 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 4.70 0.22 7.72 1.43 -1.26 -4.90 118.68 123.85 3i6a s LEU 50 Ca 0.18 -2.07 -0.08 0.00 -1.03 0.00 0.00 54.13 51.13 3i6a s LEU 50 Cb 0.18 -1.65 0.36 0.00 0.03 0.00 0.00 46.19 45.12 3i6a s LEU 50 CO 0.61 -0.38 1.69 -0.03 0.23 0.00 0.00 176.35 178.48 3i6a h MET 51 N 7.68 0.25 -0.62 1.70 1.85 -1.86 -0.65 114.93 123.29 3i6a h MET 51 Ca -0.07 -0.02 -0.20 0.00 -0.61 0.00 0.00 59.70 58.80 3i6a h MET 51 Cb 1.03 -0.06 -0.12 0.00 0.43 0.00 0.00 31.60 32.88 3i6a h MET 51 CO 0.53 0.17 0.20 1.19 -0.40 0.00 0.00 176.91 178.61 3i6a n PHE 52 N -5.15 2.03 -1.30 1.39 3.72 -1.26 -4.95 117.46 111.94 3i6a n PHE 52 Ca 0.11 -1.29 -0.10 0.00 -0.05 0.00 0.00 57.45 56.12 3i6a n PHE 52 Cb 0.38 -0.62 -0.04 0.00 -0.94 0.00 0.00 39.48 38.26 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 -0.49 -1.37 -4.30 -1.08 6.02 -0.25 -4.98 117.38 110.92 3i6a n GLN 53 Ca 0.38 0.83 -0.21 0.00 -0.01 0.00 0.00 57.00 58.00 3i6a n GLN 53 Cb 1.28 -5.06 -0.11 0.00 1.02 0.00 0.00 30.24 27.37 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 -2.74 1.20 0.27 -1.09 -0.21 -1.26 -4.96 119.66 110.86 3i6a s GLN 54 Ca 0.00 -1.36 0.07 0.00 0.02 0.00 0.00 55.36 54.09 3i6a s GLN 54 Cb 0.00 -1.19 -0.03 0.00 1.00 0.00 0.00 33.01 32.78 3i6a s GLN 54 CO 0.00 0.24 0.21 0.14 -2.12 0.00 0.00 175.29 173.76 3i6a s VAL 55 N -2.10 4.21 0.39 1.09 -7.23 -1.26 -4.64 120.40 110.87 3i6a s VAL 55 Ca 0.14 -1.42 -0.27 0.00 -1.81 0.00 0.00 61.98 58.63 3i6a s VAL 55 Cb -0.05 -3.34 -0.11 0.00 0.56 0.00 0.00 36.38 33.44 3i6a s VAL 55 CO 0.05 -0.31 1.28 -2.65 -0.31 0.00 0.00 175.10 173.16 3i6a n PRO 56 N -1.21 2.03 -4.19 4.82 -0.02 -1.26 -5.00 135.00 130.17 3i6a n PRO 56 Ca -0.06 0.72 -0.17 0.00 -2.02 0.00 0.00 63.50 61.96 3i6a n PRO 56 Cb 0.58 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.07 0.55 -0.11 -0.52 1.75 -1.04 -3.82 119.30 114.04 3i6a s MET 57 Ca 0.58 -0.18 0.03 0.00 -1.25 0.00 0.00 55.69 54.87 3i6a s MET 57 Cb -0.53 -0.55 -0.00 0.00 2.84 0.00 0.00 34.83 36.59 3i6a s MET 57 CO 0.60 0.08 -0.21 0.08 -0.65 0.00 0.00 175.02 174.92 3i6a s VAL 58 N 0.12 2.34 -0.35 10.11 1.01 0.29 -0.32 120.40 133.60 3i6a s VAL 58 Ca -0.01 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.83 3i6a s VAL 58 Cb -0.05 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.41 3i6a s VAL 58 CO -0.00 0.55 0.77 -1.61 0.00 0.00 0.00 175.10 174.81 3i6a s GLU 59 N 0.38 3.81 -0.22 2.72 2.02 -0.51 -0.37 118.70 126.54 3i6a s GLU 59 Ca -0.16 0.37 -0.12 0.00 0.02 0.00 0.00 54.97 55.08 3i6a s GLU 59 Cb -0.17 -3.78 0.07 0.00 0.10 0.00 0.00 34.13 30.35 3i6a s GLU 59 CO 0.07 -0.78 0.52 -1.50 0.02 0.00 0.00 175.26 173.59 3i6a s ILE 60 N 3.02 -0.10 -1.51 -1.63 2.07 -0.57 -1.01 121.20 121.46 3i6a s ILE 60 Ca 0.31 0.06 -0.09 0.00 -1.41 0.00 0.00 60.65 59.52 3i6a s ILE 60 Cb -0.14 -0.77 0.07 0.00 0.13 0.00 0.00 42.46 41.75 3i6a s ILE 60 CO 0.15 0.02 0.70 0.47 -1.91 0.00 0.00 174.94 174.38 3i6a n ASP 61 N 4.41 -2.39 0.00 4.50 8.00 -1.26 -0.90 116.55 128.91 3i6a n ASP 61 Ca -0.21 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3i6a n ASP 61 Cb 0.56 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 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 -1.69 0.62 3.47 0.44 0.00 -1.26 -5.01 105.19 101.75 3i6a n GLY 62 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.05 1.70 -0.89 1.61 -1.94 -0.08 -5.07 119.30 114.58 3i6a s MET 63 Ca 0.00 -1.22 -0.08 0.00 -1.71 0.00 0.00 55.69 52.68 3i6a s MET 63 Cb 0.00 -2.07 0.23 0.00 2.01 0.00 0.00 34.83 35.00 3i6a s MET 63 CO 0.00 0.47 0.81 0.15 -0.01 0.00 0.00 175.02 176.44 3i6a s LYS 64 N -2.12 3.53 -0.17 2.03 1.02 -1.26 -1.51 119.74 121.26 3i6a s LYS 64 Ca 0.17 -2.86 -0.23 0.00 0.02 0.00 0.00 55.97 53.07 3i6a s LYS 64 Cb -0.10 -4.25 -0.02 0.00 -0.52 0.00 0.00 37.83 32.94 3i6a s LYS 64 CO 0.09 -1.25 0.73 -0.51 -0.92 0.00 0.00 175.35 173.49 3i6a s LEU 65 N -0.60 4.18 0.49 3.17 1.43 0.50 -4.86 118.68 123.00 3i6a s LEU 65 Ca 0.23 1.03 0.06 0.00 -1.03 0.00 0.00 54.13 54.42 3i6a s LEU 65 Cb -0.11 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.04 3i6a s LEU 65 CO -0.08 -0.31 0.30 0.68 0.23 0.00 0.00 176.35 177.17 3i6a s VAL 66 N 1.85 1.88 0.02 -1.59 -7.23 -1.26 -0.55 120.40 113.52 3i6a s VAL 66 Ca 0.34 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3i6a s VAL 66 Cb -0.16 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3i6a s VAL 66 CO 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.91 3i6a n GLN 67 N -1.56 -1.85 -0.26 4.82 1.13 -1.25 -4.45 117.38 113.96 3i6a n GLN 67 Ca -0.03 1.66 0.01 0.00 -1.94 0.00 0.00 57.00 56.70 3i6a n GLN 67 Cb 0.64 -1.91 0.08 0.00 0.11 0.00 0.00 30.24 29.16 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 1.50 0.24 -0.19 5.09 2.02 -1.90 0.25 112.91 119.91 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 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3i6a h THR 68 CO 0.00 0.00 -0.19 0.03 0.37 0.00 0.00 175.52 175.73 3i6a h ARG 69 N -0.02 0.33 -0.41 6.66 3.08 -1.97 -0.00 114.38 122.04 3i6a h ARG 69 Ca 0.35 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 3i6a h ARG 69 Cb 0.55 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3i6a h ARG 69 CO -0.77 0.52 0.03 0.00 -1.07 0.00 0.00 179.97 178.68 3i6a h ALA 70 N 1.50 0.55 0.42 0.04 0.00 -1.25 -0.78 119.26 119.75 3i6a h ALA 70 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3i6a h ALA 70 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i6a h ALA 70 CO 0.03 0.31 -0.20 0.82 0.00 0.00 0.00 179.25 180.21 3i6a h ILE 71 N 0.55 0.58 -0.43 0.00 2.04 -0.59 -2.66 117.51 117.01 3i6a h ILE 71 Ca 0.12 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 3i6a h ILE 71 Cb 0.44 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3i6a h ILE 71 CO 0.02 0.03 -0.22 -0.07 0.00 0.00 0.00 178.15 177.91 3i6a h LEU 72 N -0.66 0.87 -0.90 1.44 3.38 -0.95 -1.41 115.31 117.08 3i6a h LEU 72 Ca -0.06 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 3i6a h LEU 72 Cb 0.49 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3i6a h LEU 72 CO 0.10 1.06 0.37 0.78 0.09 0.00 0.00 178.44 180.83 3i6a h ASN 73 N 0.74 1.06 -0.16 -0.43 4.21 -1.16 0.07 115.58 119.93 3i6a h ASN 73 Ca 0.10 -0.13 -0.06 0.00 1.21 0.00 0.00 56.30 57.42 3i6a h ASN 73 Cb 0.75 -0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 37.67 3i6a h ASN 73 CO 0.06 0.91 -0.13 0.22 -1.29 0.00 0.00 177.43 177.20 3i6a h TYR 74 N 1.15 0.43 -0.30 1.19 3.20 -1.11 -1.97 116.97 119.57 3i6a h TYR 74 Ca 0.27 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 3i6a h TYR 74 Cb 0.14 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3i6a h TYR 74 CO 0.02 0.73 0.17 0.82 -1.64 0.00 0.00 178.16 178.26 3i6a h ILE 75 N 0.01 1.12 -0.22 1.81 2.04 -1.06 0.03 117.51 121.24 3i6a h ILE 75 Ca 0.03 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.61 3i6a h ILE 75 Cb 0.65 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3i6a h ILE 75 CO 0.03 0.12 0.04 0.00 0.00 0.00 0.00 178.15 178.35 3i6a h ALA 76 N 1.05 0.23 -0.12 1.87 0.00 -0.98 -1.47 119.26 119.84 3i6a h ALA 76 Ca 0.11 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 3i6a h ALA 76 Cb 0.04 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i6a h ALA 76 CO -0.02 -0.38 -0.76 1.03 0.00 0.00 0.00 179.25 179.13 3i6a h SER 77 N 0.13 0.72 -0.97 0.00 0.87 -1.26 0.23 113.55 113.26 3i6a h SER 77 Ca 0.10 -0.47 0.05 0.00 -1.23 0.00 0.00 61.79 60.24 3i6a h SER 77 Cb 0.10 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.78 3i6a h SER 77 CO -0.13 1.24 0.63 0.50 -0.53 0.00 0.00 176.83 178.54 3i6a h LYS 78 N 0.41 1.16 -0.58 2.24 3.64 -0.59 -2.87 116.57 119.98 3i6a h LYS 78 Ca -0.04 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.06 3i6a h LYS 78 Cb 1.36 -0.26 -0.12 0.00 -0.41 0.00 0.00 32.23 32.79 3i6a h LYS 78 CO 0.14 0.77 0.18 0.66 -2.27 0.00 0.00 179.45 178.94 3i6a n TYR 79 N -4.49 1.89 -3.91 1.91 4.01 -0.59 -4.95 117.16 111.03 3i6a n TYR 79 Ca 0.14 -1.34 -0.27 0.00 -0.16 0.00 0.00 57.90 56.26 3i6a n TYR 79 Cb 0.12 -0.60 0.01 0.00 -0.31 0.00 0.00 39.34 38.56 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 -0.64 -2.26 -0.14 7.72 3.02 -0.91 -4.87 115.26 117.18 3i6a n ASN 80 Ca 0.38 -0.89 0.06 0.00 -0.03 0.00 0.00 54.58 54.10 3i6a n ASN 80 Cb 1.24 -3.53 0.10 0.00 -0.61 0.00 0.00 39.78 36.98 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 -4.44 2.38 -1.45 3.41 4.77 0.75 -4.60 117.00 117.81 3i6a n LEU 81 Ca -0.15 -2.63 -0.12 0.00 -0.03 0.00 0.00 56.01 53.08 3i6a n LEU 81 Cb 0.61 -0.27 0.15 0.00 -2.33 0.00 0.00 43.42 41.57 3i6a n LEU 81 CO 0.75 0.63 0.63 0.00 -1.33 0.00 0.00 177.39 178.07 3i6a n TYR 82 N -0.92 1.62 -3.36 -1.77 4.19 -1.20 -0.24 117.16 115.49 3i6a n TYR 82 Ca 0.10 -1.90 0.05 0.00 3.31 0.00 0.00 57.90 59.46 3i6a n TYR 82 Cb 0.51 -0.55 -0.01 0.00 0.49 0.00 0.00 39.34 39.78 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 -1.01 -1.57 0.02 2.98 0.00 -1.26 -4.49 105.19 99.87 3i6a n GLY 83 Ca 0.38 -1.19 0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 4.37 -3.89 1.61 2.85 -1.26 -4.98 118.16 114.85 3i6a n LYS 84 Ca 0.00 -0.08 -0.09 0.00 -1.05 0.00 0.00 58.31 57.10 3i6a n LYS 84 Cb 0.16 -0.85 -0.01 0.00 -0.65 0.00 0.00 35.03 33.68 3i6a n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3i6a s ASP 85 N -1.57 -0.01 0.37 -5.58 1.47 -1.26 -5.05 116.67 105.04 3i6a s ASP 85 Ca 0.03 -0.95 0.04 0.00 1.18 0.00 0.00 52.55 52.85 3i6a s ASP 85 Cb 0.05 0.74 0.71 0.00 -0.34 0.00 0.00 42.92 44.08 3i6a s ASP 85 CO 0.27 -1.42 2.02 -0.29 0.68 0.00 0.00 175.17 176.42 3i6a h ILE 86 N 2.06 1.15 -0.18 2.11 2.10 -1.97 -1.65 117.51 121.13 3i6a h ILE 86 Ca -0.26 -0.30 -0.15 0.00 1.08 0.00 0.00 64.86 65.23 3i6a h ILE 86 Cb 1.25 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.37 3i6a h ILE 86 CO 0.33 0.15 -0.46 0.11 -1.08 0.00 0.00 178.15 177.20 3i6a h LYS 87 N 0.72 0.63 -0.75 2.19 1.57 -1.99 -1.83 116.57 117.11 3i6a h LYS 87 Ca 0.19 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3i6a h LYS 87 Cb -0.05 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3i6a h LYS 87 CO -0.04 1.05 0.50 0.93 -0.57 0.00 0.00 179.45 181.32 3i6a h GLU 88 N 0.30 0.97 -0.85 3.15 5.08 -1.88 -2.26 114.58 119.09 3i6a h GLU 88 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3i6a h GLU 88 Cb 1.07 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 3i6a h GLU 88 CO 0.10 0.64 0.42 0.00 -1.00 0.00 0.00 179.01 179.17 3i6a h ARG 89 N 1.00 1.21 -0.08 2.33 3.08 -1.09 0.83 114.38 121.66 3i6a h ARG 89 Ca 0.28 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3i6a h ARG 89 Cb -0.09 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 3i6a h ARG 89 CO -0.06 0.92 0.03 0.00 -1.07 0.00 0.00 179.97 179.79 3i6a h ALA 90 N 1.25 0.09 -0.26 0.04 0.00 -0.93 0.46 119.26 119.92 3i6a h ALA 90 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3i6a h ALA 90 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i6a h ALA 90 CO -0.04 -0.43 0.13 -0.07 0.00 0.00 0.00 179.25 178.84 3i6a h LEU 91 N 0.08 0.34 -0.11 0.00 3.38 -1.09 -1.18 115.31 116.71 3i6a h LEU 91 Ca 0.03 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3i6a h LEU 91 Cb 0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3i6a h LEU 91 CO -0.03 0.35 -0.07 0.40 0.09 0.00 0.00 178.44 179.18 3i6a h ILE 92 N 0.30 0.79 -0.50 1.22 2.04 -0.53 -1.87 117.51 118.96 3i6a h ILE 92 Ca 0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 3i6a h ILE 92 Cb 0.09 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3i6a h ILE 92 CO -0.01 0.00 0.32 0.44 0.00 0.00 0.00 178.15 178.90 3i6a h ASP 93 N -0.07 0.55 -0.38 1.72 3.32 0.14 -1.28 116.42 120.43 3i6a h ASP 93 Ca 0.07 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3i6a h ASP 93 Cb 0.16 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3i6a h ASP 93 CO -0.15 0.40 0.23 -0.03 -1.72 0.00 0.00 179.24 177.97 3i6a h MET 94 N 0.66 0.46 -0.30 3.56 4.05 -1.03 -1.70 114.93 120.62 3i6a h MET 94 Ca 0.19 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 3i6a h MET 94 Cb -0.05 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 3i6a h MET 94 CO -0.05 0.30 0.08 1.88 0.23 0.00 0.00 176.91 179.35 3i6a h TYR 95 N 0.47 0.50 0.00 1.39 0.05 -0.91 -2.89 116.97 115.59 3i6a h TYR 95 Ca 0.15 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 3i6a h TYR 95 Cb -0.02 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 3i6a h TYR 95 CO -0.06 0.53 -0.20 -0.84 -1.05 0.00 0.00 178.16 176.53 3i6a h ILE 96 N 0.33 0.38 -0.07 -2.88 3.07 -1.12 -2.02 117.51 115.20 3i6a h ILE 96 Ca 0.10 -1.39 -0.16 0.00 1.55 0.00 0.00 64.86 64.96 3i6a h ILE 96 Cb 0.27 2.07 -0.01 0.00 -0.27 0.00 0.00 36.82 38.88 3i6a h ILE 96 CO -0.00 0.20 -0.64 -0.33 -1.05 0.00 0.00 178.15 176.33 3i6a h GLU 97 N 0.00 0.27 -0.47 0.16 4.39 -1.26 0.20 114.58 117.86 3i6a h GLU 97 Ca -0.00 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 3i6a h GLU 97 Cb 1.05 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 3i6a h GLU 97 CO 0.03 0.82 0.05 0.78 -1.16 0.00 0.00 179.01 179.53 3i6a h GLY 98 N 1.47 0.86 1.01 -3.84 0.00 -1.25 -0.72 103.07 100.59 3i6a h GLY 98 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3i6a h GLY 98 CO 0.10 0.55 0.45 -2.22 0.00 0.00 0.00 176.54 175.42 3i6a h ILE 99 N 0.66 1.20 -0.57 2.60 2.04 -1.20 -2.10 117.51 120.14 3i6a h ILE 99 Ca 0.14 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3i6a h ILE 99 Cb 0.43 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3i6a h ILE 99 CO 0.01 0.20 0.29 0.00 0.00 0.00 0.00 178.15 178.65 3i6a h ALA 100 N 1.24 0.74 -0.43 1.87 0.00 -0.33 0.14 119.26 122.49 3i6a h ALA 100 Ca 0.26 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3i6a h ALA 100 Cb -0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 3i6a h ALA 100 CO -0.05 0.28 0.15 -0.44 0.00 0.00 0.00 179.25 179.19 3i6a h ASP 101 N 0.78 0.15 -0.05 0.00 5.19 -0.77 0.26 116.42 121.98 3i6a h ASP 101 Ca 0.20 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.61 3i6a h ASP 101 Cb 0.09 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.64 3i6a h ASP 101 CO -0.03 0.12 -0.15 0.25 -3.12 0.00 0.00 179.24 176.31 3i6a h LEU 102 N 0.31 0.22 -0.86 1.55 5.85 -1.26 -3.05 115.31 118.07 3i6a h LEU 102 Ca 0.20 -0.62 0.19 0.00 0.84 0.00 0.00 57.88 58.50 3i6a h LEU 102 Cb 0.20 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.05 3i6a h LEU 102 CO -0.21 0.80 0.38 1.23 -0.34 0.00 0.00 178.44 180.30 3i6a h GLY 103 N -0.34 1.43 0.58 3.75 0.00 -0.62 -1.81 103.07 106.06 3i6a h GLY 103 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.20 3i6a h GLY 103 CO 0.03 -0.19 0.13 -2.09 0.00 0.00 0.00 176.54 174.42 3i6a h GLU 104 N 0.45 0.27 -0.50 4.80 4.57 -0.43 -0.49 114.58 123.25 3i6a h GLU 104 Ca 0.51 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.70 3i6a h GLU 104 Cb 0.90 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 3i6a h GLU 104 CO -0.47 0.18 0.31 0.52 -1.18 0.00 0.00 179.01 178.37 3i6a h MET 105 N 0.28 0.61 -0.33 1.92 2.86 -1.23 -0.08 114.93 118.95 3i6a h MET 105 Ca 0.20 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3i6a h MET 105 Cb 0.21 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3i6a h MET 105 CO -0.22 0.40 0.18 0.82 1.06 0.00 0.00 176.91 179.15 3i6a h ILE 106 N 0.63 1.14 -0.65 -1.22 2.04 -1.21 -0.92 117.51 117.32 3i6a h ILE 106 Ca 0.20 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.75 3i6a h ILE 106 Cb -0.02 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3i6a h ILE 106 CO -0.07 0.14 0.32 0.40 0.00 0.00 0.00 178.15 178.95 3i6a h ILE 107 N 0.41 0.89 0.00 -0.67 2.04 -0.58 -2.59 117.51 117.01 3i6a h ILE 107 Ca 0.12 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3i6a h ILE 107 Cb 0.07 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3i6a h ILE 107 CO -0.02 0.11 -0.02 0.24 0.00 0.00 0.00 178.15 178.46 3i6a h MET 108 N 0.58 0.00 -0.75 2.37 2.86 -0.85 -3.37 114.93 115.77 3i6a h MET 108 Ca 0.31 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.09 3i6a h MET 108 Cb 0.27 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.83 3i6a h MET 108 CO -0.23 0.00 0.27 1.25 1.06 0.00 0.00 176.91 179.26 3i6a h LEU 109 N 0.00 0.21 -2.21 1.22 5.85 -0.74 -1.75 115.31 117.90 3i6a h LEU 109 Ca 0.00 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3i6a h LEU 109 Cb 0.87 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3i6a h LEU 109 CO 0.00 0.07 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.46 3i6a h PRO 110 N 0.40 0.00 -0.04 5.25 0.11 -1.75 -2.62 132.00 133.35 3i6a h PRO 110 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3i6a h PRO 110 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 3i6a h PRO 110 CO -0.43 0.06 0.00 1.19 -0.21 0.00 0.00 178.00 178.60 3i6a n PHE 111 N -3.46 0.02 -1.80 0.65 3.01 -0.66 -4.93 117.46 110.29 3i6a n PHE 111 Ca -0.02 -0.01 -0.35 0.00 1.01 0.00 0.00 57.45 58.08 3i6a n PHE 111 Cb 0.18 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.71 3i6a n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i6a s PRO 113 N -3.57 3.69 0.42 0.00 0.02 -1.26 -4.90 135.00 129.42 3i6a s PRO 113 Ca 0.76 2.35 0.19 0.00 0.02 0.00 0.00 61.00 64.32 3i6a s PRO 113 Cb -0.30 -2.64 1.13 0.00 0.02 0.00 0.00 34.50 32.72 3i6a s PRO 113 CO 0.38 -0.78 1.83 -1.35 -0.33 0.00 0.00 177.00 176.74 3i6a h PRO 114 N 2.31 0.35 -0.00 5.54 0.11 -1.97 -0.16 132.00 138.19 3i6a h PRO 114 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3i6a h PRO 114 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i6a h PRO 114 CO 0.61 0.23 -0.02 -0.85 -0.21 0.00 0.00 178.00 177.76 3i6a n GLU 115 N -4.52 0.45 -0.00 1.05 0.00 -1.26 -3.02 120.64 113.34 3i6a n GLU 115 Ca 0.21 -0.03 0.07 0.00 0.00 0.00 0.00 57.16 57.41 3i6a n GLU 115 Cb 0.79 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.65 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 -1.25 2.04 -0.14 3.44 1.02 -0.10 -4.78 120.64 120.87 3i6a n GLU 116 Ca 0.14 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 3i6a n GLU 116 Cb 0.25 -1.20 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.76 -0.63 3.49 1.57 -1.39 -1.90 116.57 118.47 3i6a h LYS 117 Ca 0.00 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 3i6a h LYS 117 Cb 0.38 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3i6a h LYS 117 CO 0.00 0.88 0.13 -0.44 -0.57 0.00 0.00 179.45 179.45 3i6a h ASP 118 N 0.58 0.96 -0.33 0.86 3.32 -1.87 -1.40 116.42 118.55 3i6a h ASP 118 Ca 0.11 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 3i6a h ASP 118 Cb 0.58 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3i6a h ASP 118 CO 0.03 0.94 -0.17 0.00 -1.72 0.00 0.00 179.24 178.33 3i6a h ALA 119 N 1.17 0.91 0.05 3.45 0.00 -1.82 -1.13 119.26 121.89 3i6a h ALA 119 Ca 0.20 -0.35 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 3i6a h ALA 119 Cb 0.38 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.03 3i6a h ALA 119 CO 0.01 0.62 -1.12 -0.22 0.00 0.00 0.00 179.25 178.54 3i6a h LYS 120 N 0.71 0.66 -0.72 0.00 3.64 -1.24 -2.91 116.57 116.71 3i6a h LYS 120 Ca 0.11 -0.77 -0.06 0.00 -1.27 0.00 0.00 60.65 58.65 3i6a h LYS 120 Cb 0.67 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 3i6a h LYS 120 CO 0.05 1.34 0.21 1.25 -2.27 0.00 0.00 179.45 180.03 3i6a h LEU 121 N 0.34 1.06 -0.83 5.20 5.85 -1.23 -1.10 115.31 124.59 3i6a h LEU 121 Ca -0.15 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3i6a h LEU 121 Cb 1.78 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 42.48 3i6a h LEU 121 CO 0.22 0.99 0.52 0.00 -0.34 0.00 0.00 178.44 179.83 3i6a h ALA 122 N 1.14 1.12 -0.14 1.25 0.00 -1.26 -1.65 119.26 119.72 3i6a h ALA 122 Ca 0.23 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3i6a h ALA 122 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i6a h ALA 122 CO -0.00 0.30 -0.58 1.25 0.00 0.00 0.00 179.25 180.22 3i6a h LEU 123 N 0.98 0.50 0.57 0.00 5.85 -1.26 -1.89 115.31 120.05 3i6a h LEU 123 Ca 0.35 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3i6a h LEU 123 Cb 0.10 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.00 3i6a h LEU 123 CO -0.15 0.97 -0.27 0.40 -0.34 0.00 0.00 178.44 179.05 3i6a h ILE 124 N 0.34 0.42 -0.78 4.05 2.04 -0.95 -1.56 117.51 121.08 3i6a h ILE 124 Ca 0.00 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 65.84 3i6a h ILE 124 Cb 1.11 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 3i6a h ILE 124 CO 0.10 0.02 0.42 0.11 0.00 0.00 0.00 178.15 178.80 3i6a h LYS 125 N -0.84 0.68 -0.66 2.37 1.57 -1.28 0.39 116.57 118.80 3i6a h LYS 125 Ca -0.08 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3i6a h LYS 125 Cb 0.61 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3i6a h LYS 125 CO 0.13 0.45 0.43 1.49 -0.57 0.00 0.00 179.45 181.37 3i6a h GLU 126 N 0.70 0.84 -0.41 3.15 4.22 -1.27 -1.80 114.58 120.01 3i6a h GLU 126 Ca 0.38 -0.05 -0.14 0.00 0.08 0.00 0.00 59.36 59.63 3i6a h GLU 126 Cb 0.39 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3i6a h GLU 126 CO -0.26 0.55 -0.31 0.87 -2.18 0.00 0.00 179.01 177.68 3i6a h LYS 127 N 0.86 0.91 -0.44 1.92 1.57 -0.21 0.75 116.57 121.93 3i6a h LYS 127 Ca 0.25 -0.44 0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3i6a h LYS 127 Cb -0.06 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3i6a h LYS 127 CO -0.07 1.09 0.18 0.82 -0.57 0.00 0.00 179.45 180.90 3i6a h ILE 128 N 0.76 0.91 0.14 1.86 2.04 -0.78 0.31 117.51 122.75 3i6a h ILE 128 Ca 0.08 -0.13 -0.29 0.00 1.00 0.00 0.00 64.86 65.52 3i6a h ILE 128 Cb 0.89 0.50 0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3i6a h ILE 128 CO 0.08 0.07 -1.26 0.50 0.00 0.00 0.00 178.15 177.54 3i6a h LYS 129 N 0.37 0.45 0.00 2.37 3.64 -1.13 -0.48 116.57 121.79 3i6a h LYS 129 Ca 0.20 -0.67 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 3i6a h LYS 129 Cb 0.16 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3i6a h LYS 129 CO -0.18 1.30 -1.89 0.09 -2.27 0.00 0.00 179.45 176.50 3i6a n ASN 130 N -3.67 0.75 0.02 4.20 3.02 0.24 -4.41 115.26 115.40 3i6a n ASN 130 Ca -0.12 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.42 3i6a n ASN 130 Cb 1.01 1.74 -0.01 0.00 -0.61 0.00 0.00 39.78 41.91 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 -2.21 0.10 -0.01 3.52 0.63 0.77 -4.77 116.66 114.69 3i6a n ARG 131 Ca -0.06 0.04 -0.19 0.00 -0.92 0.00 0.00 57.85 56.72 3i6a n ARG 131 Cb 0.56 -0.62 -0.14 0.00 0.45 0.00 0.00 32.46 32.71 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 -0.19 0.31 -0.55 -0.14 0.05 -0.76 -2.84 116.97 112.86 3i6a h TYR 132 Ca 0.00 -0.22 -0.03 0.00 0.05 0.00 0.00 58.73 58.53 3i6a h TYR 132 Cb 0.19 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 3i6a h TYR 132 CO -0.08 1.31 0.24 0.74 -1.05 0.00 0.00 178.16 179.32 3i6a h PHE 133 N -0.60 0.81 -0.83 4.88 -1.00 -1.29 -2.56 116.94 116.35 3i6a h PHE 133 Ca -0.17 -0.05 0.09 0.00 2.81 0.00 0.00 57.97 60.65 3i6a h PHE 133 Cb 1.46 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 40.71 3i6a h PHE 133 CO 0.19 0.65 0.54 -1.35 -1.61 0.00 0.00 178.31 176.72 3i6a h PRO 134 N 0.74 0.78 -0.01 1.51 0.11 -1.76 -1.06 132.00 132.30 3i6a h PRO 134 Ca 0.18 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3i6a h PRO 134 Cb 0.16 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 3i6a h PRO 134 CO -0.02 0.52 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 3i6a h ALA 135 N 1.58 0.01 -0.04 -0.75 0.00 -1.21 -1.88 119.26 116.97 3i6a h ALA 135 Ca 0.38 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 3i6a h ALA 135 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i6a h ALA 135 CO -0.15 -0.40 -0.85 0.74 0.00 0.00 0.00 179.25 178.59 3i6a h PHE 136 N -0.16 0.62 -0.73 0.00 0.04 -1.21 -2.62 116.94 112.88 3i6a h PHE 136 Ca 0.00 -0.31 0.06 0.00 2.80 0.00 0.00 57.97 60.52 3i6a h PHE 136 Cb 0.18 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.19 3i6a h PHE 136 CO -0.02 1.11 0.43 1.49 -0.60 0.00 0.00 178.31 180.72 3i6a h GLU 137 N 0.27 0.76 -0.74 1.51 4.57 -1.24 -2.32 114.58 117.39 3i6a h GLU 137 Ca -0.06 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 3i6a h GLU 137 Cb 1.46 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 3i6a h GLU 137 CO 0.15 0.50 0.36 -0.22 -1.18 0.00 0.00 179.01 178.62 3i6a h LYS 138 N 0.78 1.06 -0.18 1.92 3.64 -1.15 -0.42 116.57 122.22 3i6a h LYS 138 Ca 0.33 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3i6a h LYS 138 Cb 0.19 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3i6a h LYS 138 CO -0.18 0.82 0.09 0.28 -2.27 0.00 0.00 179.45 178.19 3i6a h VAL 139 N 1.03 1.00 -0.49 2.00 2.07 -1.18 -0.52 116.25 120.16 3i6a h VAL 139 Ca 0.25 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 3i6a h VAL 139 Cb 0.11 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3i6a h VAL 139 CO -0.03 0.04 0.06 -0.07 0.02 0.00 0.00 177.57 177.59 3i6a h LEU 140 N 0.20 0.80 -0.58 2.57 3.38 -1.23 -2.96 115.31 117.49 3i6a h LEU 140 Ca 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3i6a h LEU 140 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3i6a h LEU 140 CO -0.04 0.87 0.38 0.50 0.09 0.00 0.00 178.44 180.24 3i6a h LYS 141 N 0.70 0.77 -0.17 1.13 1.63 -1.01 -0.84 116.57 118.78 3i6a h LYS 141 Ca 0.15 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.80 3i6a h LYS 141 Cb 0.42 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 3i6a h LYS 141 CO 0.01 0.51 -0.31 0.77 -3.45 0.00 0.00 179.45 176.99 3i6a h SER 142 N 0.79 0.33 -0.00 4.20 0.02 -0.98 -3.18 113.55 114.73 3i6a h SER 142 Ca 0.21 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3i6a h SER 142 Cb -0.08 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3i6a h SER 142 CO -0.05 0.63 -0.68 0.00 -1.14 0.00 0.00 176.83 175.60 3i6a n HIS 143 N -4.10 0.00 -0.71 3.45 1.44 -1.13 -4.99 115.22 109.18 3i6a n HIS 143 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 3i6a n HIS 143 Cb 0.42 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.53 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 1.34 0.02 3.89 -1.39 0.00 -0.32 -4.97 105.19 103.75 3i6a n GLY 144 Ca 0.03 0.00 -0.29 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 -1.37 3.59 0.40 1.61 -0.21 -1.26 -4.98 119.66 117.45 3i6a s GLN 145 Ca 0.00 0.39 0.29 0.00 0.02 0.00 0.00 55.36 56.06 3i6a s GLN 145 Cb 0.00 -2.29 1.31 0.00 1.00 0.00 0.00 33.01 33.03 3i6a s GLN 145 CO 0.00 -0.29 1.86 -0.44 -2.12 0.00 0.00 175.29 174.31 3i6a h ASP 146 N 0.21 0.00 -3.67 5.90 3.32 -1.94 -3.45 116.42 116.79 3i6a h ASP 146 Ca -0.46 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.14 3i6a h ASP 146 Cb 1.20 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.58 3i6a h ASP 146 CO 0.62 0.00 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.07 3i6a s TYR 147 N -3.56 1.60 0.22 4.55 2.02 -1.26 -4.91 117.35 116.00 3i6a s TYR 147 Ca 0.01 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 56.14 3i6a s TYR 147 Cb 0.09 -0.79 0.20 0.00 -0.40 0.00 0.00 41.96 41.06 3i6a s TYR 147 CO 0.40 0.25 1.59 -0.07 -1.57 0.00 0.00 175.55 176.15 3i6a h LEU 148 N 3.12 0.64 -7.41 -1.29 3.38 -1.87 -3.43 115.31 108.45 3i6a h LEU 148 Ca -0.40 -0.28 -0.21 0.00 0.09 0.00 0.00 57.88 57.09 3i6a h LEU 148 Cb 1.21 -0.18 -0.30 0.00 0.09 0.00 0.00 40.66 41.48 3i6a h LEU 148 CO 0.55 0.95 -0.52 -0.69 0.09 0.00 0.00 178.44 178.82 3i6a s VAL 149 N -4.30 -0.04 -0.36 1.22 1.01 -1.26 -4.89 120.40 111.78 3i6a s VAL 149 Ca -0.08 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3i6a s VAL 149 Cb 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.19 3i6a s VAL 149 CO 0.83 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.59 3i6a n GLY 150 N 3.99 0.59 3.85 4.51 0.00 -1.26 -3.11 105.19 113.76 3i6a n GLY 150 Ca -0.23 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 0.02 -3.55 -3.59 1.61 5.15 -1.26 -4.95 115.26 108.69 3i6a n ASN 151 Ca -0.03 -0.73 -0.10 0.00 -0.60 0.00 0.00 54.58 53.11 3i6a n ASN 151 Cb 0.23 -2.91 -0.02 0.00 -0.53 0.00 0.00 39.78 36.54 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 -6.53 1.44 -0.21 1.20 -2.85 -1.18 -4.91 119.74 106.70 3i6a s LYS 152 Ca 0.60 -0.67 -0.40 0.00 -1.00 0.00 0.00 55.97 54.50 3i6a s LYS 152 Cb -0.32 0.59 -0.17 0.00 -2.06 0.00 0.00 37.83 35.86 3i6a s LYS 152 CO 0.74 -0.64 1.59 -0.11 0.10 0.00 0.00 175.35 177.03 3i6a n LEU 153 N -0.40 1.90 -4.38 2.77 7.94 -1.26 -4.53 117.00 119.04 3i6a n LEU 153 Ca -0.12 1.11 -0.20 0.00 -1.11 0.00 0.00 56.01 55.68 3i6a n LEU 153 Cb 0.63 -1.10 -0.09 0.00 0.53 0.00 0.00 43.42 43.39 3i6a n LEU 153 CO 0.14 -0.72 -0.21 -0.94 -1.11 0.00 0.00 177.39 174.54 3i6a s SER 154 N 2.54 1.82 0.54 1.96 1.04 -1.26 -4.81 113.70 115.53 3i6a s SER 154 Ca 0.96 -1.54 0.29 0.00 0.48 0.00 0.00 55.95 56.13 3i6a s SER 154 Cb -1.12 0.33 1.45 0.00 0.10 0.00 0.00 66.02 66.79 3i6a s SER 154 CO 0.63 -0.85 1.94 0.08 0.98 0.00 0.00 173.24 176.02 3i6a h ARG 155 N 2.14 0.00 -0.58 4.02 0.11 -0.99 -1.82 114.38 117.25 3i6a h ARG 155 Ca -0.35 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.70 3i6a h ARG 155 Cb 1.25 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.31 3i6a h ARG 155 CO 0.55 0.00 0.24 0.00 0.10 0.00 0.00 179.97 180.86 3i6a h ALA 156 N 1.62 0.75 -0.58 0.08 0.00 -1.92 0.81 119.26 120.03 3i6a h ALA 156 Ca 0.32 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3i6a h ALA 156 Cb 1.32 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3i6a h ALA 156 CO -0.00 0.36 0.25 -0.44 0.00 0.00 0.00 179.25 179.42 3i6a h ASP 157 N 0.80 0.79 -0.21 0.00 3.32 -1.73 -0.95 116.42 118.44 3i6a h ASP 157 Ca 0.19 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3i6a h ASP 157 Cb 0.19 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3i6a h ASP 157 CO -0.02 0.73 0.07 0.40 -1.72 0.00 0.00 179.24 178.71 3i6a h ILE 158 N 0.80 1.18 -0.53 0.35 1.08 -1.40 -0.55 117.51 118.45 3i6a h ILE 158 Ca 0.20 -0.56 -0.09 0.00 -0.39 0.00 0.00 64.86 64.02 3i6a h ILE 158 Cb 0.17 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 3i6a h ILE 158 CO -0.02 0.18 -0.01 0.45 -0.69 0.00 0.00 178.15 178.06 3i6a h HIS 159 N 0.18 0.98 -0.18 1.37 3.86 -0.75 -1.29 115.15 119.31 3i6a h HIS 159 Ca 0.07 -0.16 -0.12 0.00 -1.16 0.00 0.00 60.37 59.00 3i6a h HIS 159 Cb 0.21 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.42 3i6a h HIS 159 CO -0.00 0.89 -0.36 1.25 0.86 0.00 0.00 177.93 180.56 3i6a h LEU 160 N 0.83 0.64 -0.68 2.43 5.85 -1.07 -2.27 115.31 121.03 3i6a h LEU 160 Ca 0.15 -0.55 -0.11 0.00 0.84 0.00 0.00 57.88 58.21 3i6a h LEU 160 Cb 0.51 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3i6a h LEU 160 CO 0.03 1.07 -0.15 0.58 -0.34 0.00 0.00 178.44 179.62 3i6a h VAL 161 N 0.23 1.27 -0.43 1.05 2.07 -0.95 0.09 116.25 119.57 3i6a h VAL 161 Ca 0.01 -1.27 0.09 0.00 0.82 0.00 0.00 66.70 66.35 3i6a h VAL 161 Cb 0.96 1.08 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 3i6a h VAL 161 CO 0.08 0.44 -0.16 -0.08 0.02 0.00 0.00 177.57 177.87 3i6a h GLU 162 N 0.77 -0.06 -0.42 1.57 4.81 -1.25 -1.91 114.58 118.08 3i6a h GLU 162 Ca 0.12 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3i6a h GLU 162 Cb 0.68 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3i6a h GLU 162 CO 0.05 -0.04 0.06 1.25 -0.73 0.00 0.00 179.01 179.60 3i6a h LEU 163 N -0.07 0.60 -0.80 1.64 5.85 -0.75 -2.39 115.31 119.40 3i6a h LEU 163 Ca 0.21 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3i6a h LEU 163 Cb 0.39 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3i6a h LEU 163 CO -0.48 0.63 0.49 -0.07 -0.34 0.00 0.00 178.44 178.68 3i6a h LEU 164 N 0.62 0.95 -0.72 2.25 3.38 -0.27 -1.54 115.31 119.99 3i6a h LEU 164 Ca 0.14 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3i6a h LEU 164 Cb 0.30 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3i6a h LEU 164 CO 0.00 0.73 0.38 1.88 0.09 0.00 0.00 178.44 181.52 3i6a h TYR 165 N 1.09 0.68 -0.52 1.13 0.05 -0.88 -0.21 116.97 118.32 3i6a h TYR 165 Ca 0.29 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 59.02 3i6a h TYR 165 Cb -0.06 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 3i6a h TYR 165 CO -0.01 0.27 0.02 1.88 -1.05 0.00 0.00 178.16 179.27 3i6a h TYR 166 N 0.65 0.92 -0.45 4.88 0.05 -1.16 -2.24 116.97 119.62 3i6a h TYR 166 Ca 0.34 -0.13 -0.13 0.00 0.05 0.00 0.00 58.73 58.87 3i6a h TYR 166 Cb 0.32 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3i6a h TYR 166 CO -0.09 0.83 -0.21 0.28 -1.05 0.00 0.00 178.16 177.91 3i6a h VAL 167 N 0.80 1.27 -0.58 -2.88 2.07 -0.95 -2.03 116.25 113.96 3i6a h VAL 167 Ca 0.16 -1.37 0.09 0.00 0.82 0.00 0.00 66.70 66.40 3i6a h VAL 167 Cb 0.45 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 3i6a h VAL 167 CO 0.02 0.47 0.18 -0.08 0.02 0.00 0.00 177.57 178.18 3i6a h GLU 168 N 0.78 0.34 -0.73 1.57 4.81 -0.77 0.16 114.58 120.74 3i6a h GLU 168 Ca 0.10 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3i6a h GLU 168 Cb 0.79 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 3i6a h GLU 168 CO 0.07 0.22 0.48 0.93 -0.73 0.00 0.00 179.01 179.98 3i6a h GLU 169 N 0.35 0.95 0.15 1.92 5.08 -1.05 -2.98 114.58 119.01 3i6a h GLU 169 Ca 0.29 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3i6a h GLU 169 Cb 0.38 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3i6a h GLU 169 CO -0.32 0.63 -0.07 1.25 -1.00 0.00 0.00 179.01 179.50 3i6a h LEU 170 N 0.98 -0.17 -6.00 1.33 6.46 -0.62 -3.45 115.31 113.84 3i6a h LEU 170 Ca 0.27 -0.33 0.15 0.00 -0.12 0.00 0.00 57.88 57.85 3i6a h LEU 170 Cb -0.10 0.04 -0.21 0.00 -0.73 0.00 0.00 40.66 39.66 3i6a h LEU 170 CO -0.06 0.28 -0.10 -0.62 -0.62 0.00 0.00 178.44 177.32 3i6a s ASP 171 N -5.40 -0.94 0.00 1.25 -1.08 0.47 -5.04 116.67 105.93 3i6a s ASP 171 Ca -0.14 0.46 0.13 0.00 -0.52 0.00 0.00 52.55 52.48 3i6a s ASP 171 Cb 0.02 1.74 0.63 0.00 -1.46 0.00 0.00 42.92 43.84 3i6a s ASP 171 CO 0.58 -0.18 1.35 -1.54 0.52 0.00 0.00 175.17 175.91 3i6a n SER 172 N 5.41 0.00 0.00 -0.34 3.41 -1.15 -2.70 113.62 118.25 3i6a n SER 172 Ca -0.01 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.91 3i6a n SER 172 Cb 0.53 -0.34 0.10 0.00 -0.26 0.00 0.00 64.21 64.24 3i6a n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i6a n SER 173 N -1.34 0.68 0.18 4.04 3.41 -1.26 -4.26 113.62 115.07 3i6a n SER 173 Ca 0.05 -0.51 0.03 0.00 -0.26 0.00 0.00 58.87 58.19 3i6a n SER 173 Cb 0.12 0.56 0.39 0.00 -0.26 0.00 0.00 64.21 65.01 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 0.04 -0.01 1.04 3.38 -1.86 -2.09 115.31 115.81 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 0.52 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3i6a h LEU 174 CO 0.00 0.34 -0.01 0.00 0.09 0.00 0.00 178.44 178.87 3i6a n ILE 175 N -4.17 0.00 -0.38 1.22 3.06 -1.26 -4.36 119.36 113.47 3i6a n ILE 175 Ca -0.02 -0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.21 3i6a n ILE 175 Cb 0.35 -0.48 0.11 0.00 0.54 0.00 0.00 39.64 40.17 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 0.03 1.15 -0.00 9.51 4.64 -1.62 -1.06 113.55 126.21 3i6a h SER 176 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3i6a h SER 176 Cb 0.23 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3i6a h SER 176 CO 0.00 0.84 0.00 -1.20 -0.87 0.00 0.00 176.83 175.60 3i6a n SER 177 N -4.38 0.07 -3.69 4.97 7.64 -1.26 -4.55 113.62 112.42 3i6a n SER 177 Ca 0.12 -1.13 -0.28 0.00 1.01 0.00 0.00 58.87 58.59 3i6a n SER 177 Cb 0.01 -0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.89 3.12 -0.14 1.43 3.72 -0.40 -4.96 117.46 119.34 3i6a n PHE 178 Ca 0.21 -4.20 -0.02 0.00 -0.05 0.00 0.00 57.45 53.39 3i6a n PHE 178 Cb 0.11 -0.56 0.20 0.00 -0.94 0.00 0.00 39.48 38.30 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 4.93 0.84 -0.21 -1.08 0.13 -1.80 -1.86 132.00 132.95 3i6a h PRO 179 Ca 0.17 -0.15 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 3i6a h PRO 179 Cb 0.73 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3i6a h PRO 179 CO 0.74 0.73 -0.35 -0.07 -0.23 0.00 0.00 178.00 178.81 3i6a h LEU 180 N 0.82 0.47 -0.64 1.56 3.38 -1.94 0.36 115.31 119.32 3i6a h LEU 180 Ca 0.19 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3i6a h LEU 180 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3i6a h LEU 180 CO -0.01 0.79 0.01 -0.07 0.09 0.00 0.00 178.44 179.25 3i6a h LEU 181 N 0.39 1.04 -0.78 1.67 3.38 -1.84 0.19 115.31 119.36 3i6a h LEU 181 Ca 0.04 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3i6a h LEU 181 Cb 0.80 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3i6a h LEU 181 CO 0.06 1.09 0.51 0.11 0.09 0.00 0.00 178.44 180.30 3i6a h LYS 182 N 0.98 1.01 -0.27 1.13 1.57 -0.87 -0.69 116.57 119.43 3i6a h LYS 182 Ca 0.17 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3i6a h LYS 182 Cb 0.55 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3i6a h LYS 182 CO 0.03 0.67 -0.15 0.00 -0.57 0.00 0.00 179.45 179.42 3i6a h ALA 183 N 1.29 0.38 -0.20 3.86 0.00 -0.64 -2.66 119.26 121.31 3i6a h ALA 183 Ca 0.29 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i6a h ALA 183 Cb -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3i6a h ALA 183 CO -0.07 0.28 0.11 1.25 0.00 0.00 0.00 179.25 180.82 3i6a h LEU 184 N 0.32 0.18 -0.67 0.00 5.85 -0.77 -0.81 115.31 119.40 3i6a h LEU 184 Ca 0.06 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.89 3i6a h LEU 184 Cb 0.68 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 3i6a h LEU 184 CO 0.04 0.13 0.27 0.50 -0.34 0.00 0.00 178.44 179.04 3i6a h LYS 185 N 0.23 0.43 -0.30 1.25 3.64 -1.03 -0.19 116.57 120.60 3i6a h LYS 185 Ca 0.08 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3i6a h LYS 185 Cb -0.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3i6a h LYS 185 CO -0.04 0.29 0.04 1.15 -2.27 0.00 0.00 179.45 178.62 3i6a h THR 186 N 0.45 1.24 0.20 1.00 2.02 -1.13 -1.25 112.91 115.44 3i6a h THR 186 Ca 0.35 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3i6a h THR 186 Cb 0.45 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3i6a h THR 186 CO -0.33 0.27 -0.10 0.03 0.37 0.00 0.00 175.52 175.76 3i6a h ARG 187 N 0.31 -0.26 -0.59 6.66 3.08 -0.59 -2.52 114.38 120.47 3i6a h ARG 187 Ca 0.09 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 3i6a h ARG 187 Cb 0.36 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3i6a h ARG 187 CO 0.01 -0.15 0.06 0.82 -1.07 0.00 0.00 179.97 179.64 3i6a h ILE 188 N -0.30 1.26 -0.00 2.04 1.08 -1.05 -2.71 117.51 117.82 3i6a h ILE 188 Ca -0.03 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 3i6a h ILE 188 Cb 0.23 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 34.77 3i6a h ILE 188 CO 0.05 0.38 0.01 0.28 -0.69 0.00 0.00 178.15 178.17 3i6a h SER 189 N 0.89 0.00 0.17 1.72 0.02 -1.16 -1.62 113.55 113.57 3i6a h SER 189 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3i6a h SER 189 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3i6a h SER 189 CO 0.02 0.00 -0.18 0.59 -1.14 0.00 0.00 176.83 176.12 3i6a n ASN 190 N -3.75 1.14 -4.71 3.07 3.02 -0.96 -2.40 115.26 110.67 3i6a n ASN 190 Ca -0.03 -1.05 -0.42 0.00 -0.03 0.00 0.00 54.58 53.05 3i6a n ASN 190 Cb 0.09 0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 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 -2.36 4.37 0.29 3.41 1.43 -0.61 -4.80 118.68 120.41 3i6a s LEU 191 Ca 0.28 2.68 -0.00 0.00 -1.03 0.00 0.00 54.13 56.06 3i6a s LEU 191 Cb 0.20 -3.59 0.67 0.00 0.03 0.00 0.00 46.19 43.50 3i6a s LEU 191 CO 0.47 -0.89 1.61 -0.65 0.23 0.00 0.00 176.35 177.11 3i6a h PRO 192 N 7.21 0.08 -0.49 1.29 0.11 -1.89 0.14 132.00 138.45 3i6a h PRO 192 Ca -0.43 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3i6a h PRO 192 Cb 1.20 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3i6a h PRO 192 CO 0.93 0.05 0.24 1.79 -0.21 0.00 0.00 178.00 180.81 3i6a h THR 193 N 0.08 1.19 -0.09 -1.15 1.35 -1.87 -1.62 112.91 110.80 3i6a h THR 193 Ca 0.54 -0.52 -0.20 0.00 -0.55 0.00 0.00 66.41 65.68 3i6a h THR 193 Cb 1.09 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3i6a h THR 193 CO -0.79 0.21 -0.78 0.58 -0.25 0.00 0.00 175.52 174.49 3i6a h VAL 194 N 0.65 1.35 -0.41 6.82 2.07 -1.37 -1.74 116.25 123.62 3i6a h VAL 194 Ca 0.17 -2.13 0.03 0.00 0.82 0.00 0.00 66.70 65.59 3i6a h VAL 194 Cb 0.11 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 3i6a h VAL 194 CO -0.02 0.65 0.21 0.50 0.02 0.00 0.00 177.57 178.93 3i6a h LYS 195 N 0.35 0.42 -0.41 1.57 3.64 -0.44 0.72 116.57 122.42 3i6a h LYS 195 Ca -0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3i6a h LYS 195 Cb 1.38 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3i6a h LYS 195 CO 0.14 0.28 0.22 -0.22 -2.27 0.00 0.00 179.45 177.60 3i6a h LYS 196 N 0.43 0.58 -0.16 1.90 3.64 -1.23 -0.48 116.57 121.25 3i6a h LYS 196 Ca 0.17 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3i6a h LYS 196 Cb 0.06 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3i6a h LYS 196 CO -0.11 0.47 0.07 0.35 -2.27 0.00 0.00 179.45 177.96 3i6a h PHE 197 N 0.53 0.21 0.00 1.91 3.57 -0.91 -2.09 116.94 120.16 3i6a h PHE 197 Ca 0.14 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 3i6a h PHE 197 Cb 0.06 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3i6a h PHE 197 CO -0.02 0.17 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.12 3i6a h LEU 198 N 0.22 0.00-10.37 0.59 3.38 -0.08 -3.41 115.31 105.63 3i6a h LEU 198 Ca 0.06 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.53 3i6a h LEU 198 Cb 0.04 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.89 3i6a h LEU 198 CO -0.01 0.01 0.35 -1.10 0.09 0.00 0.00 178.44 177.79 3i6a s GLN 199 N -3.21 2.49 0.77 1.13 -0.21 -0.26 -5.00 119.66 115.37 3i6a s GLN 199 Ca 0.07 0.80 -0.14 0.00 0.02 0.00 0.00 55.36 56.10 3i6a s GLN 199 Cb 0.05 -1.95 0.05 0.00 1.00 0.00 0.00 33.01 32.16 3i6a s GLN 199 CO 0.67 -1.38 1.13 -2.30 -2.12 0.00 0.00 175.29 171.29 3i6a n PRO 200 N -3.29 0.36 -0.95 2.91 -0.02 -1.26 -3.47 135.00 129.27 3i6a n PRO 200 Ca 0.07 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3i6a n PRO 200 Cb 0.55 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3i6a n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6a n GLY 201 N 0.76 0.68 3.86 -1.23 0.00 -1.26 -5.02 105.19 102.98 3i6a n GLY 201 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3i6a n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i6a s SER 202 N -2.52 3.31 0.00 1.61 1.04 -1.23 -4.96 113.70 110.95 3i6a s SER 202 Ca 0.00 0.57 0.20 0.00 0.48 0.00 0.00 55.95 57.20 3i6a s SER 202 Cb 0.00 -0.84 1.21 0.00 0.10 0.00 0.00 66.02 66.49 3i6a s SER 202 CO 0.00 -2.64 1.61 -2.65 0.98 0.00 0.00 173.24 170.55 3i6a n PRO 203 N -3.76 0.69 -1.79 4.02 -0.02 -1.26 -4.85 135.00 128.02 3i6a n PRO 203 Ca 0.12 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 3i6a n PRO 203 Cb 0.60 -1.46 -0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3i6a n PRO 203 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i6a s ARG 204 N -2.00 4.11 0.08 -0.52 3.52 -1.26 -4.99 118.95 117.88 3i6a s ARG 204 Ca 0.30 2.58 0.03 0.00 -0.13 0.00 0.00 55.73 58.51 3i6a s ARG 204 Cb 0.14 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 3i6a s ARG 204 CO 0.24 -0.56 0.08 0.15 -0.81 0.00 0.00 175.30 174.39 3i6a s LYS 205 N -1.82 2.88 0.83 5.12 -0.14 -1.26 -5.01 119.74 120.33 3i6a s LYS 205 Ca 0.55 -0.68 -0.12 0.00 -1.36 0.00 0.00 55.97 54.35 3i6a s LYS 205 Cb -0.47 -2.73 0.09 0.00 -1.68 0.00 0.00 37.83 33.04 3i6a s LYS 205 CO 0.61 0.57 1.12 -1.25 -0.76 0.00 0.00 175.35 175.63 3i6a s PRO 206 N -2.35 1.84 0.46 -1.68 0.04 -1.26 -4.85 135.00 127.20 3i6a s PRO 206 Ca 0.29 0.45 -0.24 0.00 0.04 0.00 0.00 61.00 61.54 3i6a s PRO 206 Cb -0.12 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3i6a s PRO 206 CO 0.21 -1.75 1.17 -2.30 0.04 0.00 0.00 177.00 174.38 3i6a n PRO 207 N -3.49 1.61 -1.72 0.56 -0.02 -1.26 -4.39 135.00 126.29 3i6a n PRO 207 Ca 0.07 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 3i6a n PRO 207 Cb 0.58 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 3i6a n PRO 207 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3i6a s PRO 208 N -2.31 4.07 0.44 0.52 0.04 -1.26 -5.01 135.00 131.50 3i6a s PRO 208 Ca 0.65 2.49 0.02 0.00 0.04 0.00 0.00 61.00 64.21 3i6a s PRO 208 Cb -0.50 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 29.90 3i6a s PRO 208 CO 0.55 -1.03 0.64 0.16 0.04 0.00 0.00 177.00 177.36 3i6a s ASP 209 N 4.55 5.75 0.35 6.66 1.47 -1.26 -4.95 116.67 129.24 3i6a s ASP 209 Ca 0.87 0.08 0.09 0.00 1.18 0.00 0.00 52.55 54.77 3i6a s ASP 209 Cb -0.40 -1.29 0.83 0.00 -0.34 0.00 0.00 42.92 41.73 3i6a s ASP 209 CO 0.39 -0.73 1.84 -0.33 0.68 0.00 0.00 175.17 177.03 3i6a h GLU 210 N 0.46 0.65 0.43 2.11 4.39 -1.99 -0.43 114.58 120.21 3i6a h GLU 210 Ca -0.45 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 3i6a h GLU 210 Cb 1.26 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 3i6a h GLU 210 CO 0.55 0.43 -0.45 0.82 -1.16 0.00 0.00 179.01 179.20 3i6a h ILE 211 N 0.67 0.11 -0.98 3.13 2.04 -2.00 -1.34 117.51 119.15 3i6a h ILE 211 Ca 0.48 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.56 3i6a h ILE 211 Cb 0.83 0.11 -0.12 0.00 -0.74 0.00 0.00 36.82 36.91 3i6a h ILE 211 CO -0.24 0.00 0.57 0.22 0.00 0.00 0.00 178.15 178.70 3i6a h TYR 212 N -0.89 0.99 -0.29 1.37 3.20 -1.50 0.10 116.97 119.95 3i6a h TYR 212 Ca -0.04 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3i6a h TYR 212 Cb 0.79 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3i6a h TYR 212 CO -0.24 0.13 0.15 0.28 -1.64 0.00 0.00 178.16 176.84 3i6a h VAL 213 N 0.64 1.13 -1.00 1.81 2.07 -0.91 0.03 116.25 120.01 3i6a h VAL 213 Ca 0.60 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.80 3i6a h VAL 213 Cb 1.05 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3i6a h VAL 213 CO -0.44 0.13 0.66 -0.09 0.02 0.00 0.00 177.57 177.85 3i6a h ARG 214 N 0.34 1.28 -0.05 1.57 2.43 0.10 -2.30 114.38 117.75 3i6a h ARG 214 Ca 0.10 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 3i6a h ARG 214 Cb 0.07 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 3i6a h ARG 214 CO -0.02 0.84 -0.47 1.15 -1.51 0.00 0.00 179.97 179.97 3i6a h THR 215 N 1.32 1.34 -0.49 0.20 2.02 -0.63 -1.10 112.91 115.56 3i6a h THR 215 Ca 0.39 -1.65 -0.08 0.00 0.77 0.00 0.00 66.41 65.84 3i6a h THR 215 Cb -0.07 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 3i6a h THR 215 CO -0.10 0.48 -0.03 0.58 0.37 0.00 0.00 175.52 176.82 3i6a h VAL 216 N 0.10 1.25 0.08 3.16 2.07 -0.45 -1.72 116.25 120.75 3i6a h VAL 216 Ca 0.00 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3i6a h VAL 216 Cb 0.87 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3i6a h VAL 216 CO 0.07 0.38 -0.04 1.88 0.02 0.00 0.00 177.57 179.88 3i6a h TYR 217 N 0.78 -0.10 -1.00 1.57 0.05 -1.14 -1.28 116.97 115.85 3i6a h TYR 217 Ca 0.14 -0.00 0.29 0.00 0.05 0.00 0.00 58.73 59.21 3i6a h TYR 217 Cb 0.51 0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 3i6a h TYR 217 CO 0.03 0.26 0.75 -0.91 -1.05 0.00 0.00 178.16 177.24 3i6a h ASN 218 N -0.48 0.00 0.17 3.88 4.21 -1.16 -2.98 115.58 119.22 3i6a h ASN 218 Ca -0.01 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.14 3i6a h ASN 218 Cb 0.41 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.58 3i6a h ASN 218 CO 0.02 0.00 -1.99 -0.38 -1.29 0.00 0.00 177.43 173.79 3i6a n ILE 219 N -4.15 1.73 0.78 2.81 5.41 -0.65 -4.05 119.36 121.23 3i6a n ILE 219 Ca 0.21 -0.68 0.09 0.00 1.00 0.00 0.00 62.75 63.38 3i6a n ILE 219 Cb 1.09 -1.59 0.08 0.00 -0.71 0.00 0.00 39.64 38.51 3i6a n ILE 219 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04