#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i69 s GLU 3 N 0.00 1.98 0.31 0.00 8.01 -1.26 -5.05 118.70 122.70 3i69 s GLU 3 Ca 0.00 -0.88 -0.29 0.00 0.01 0.00 0.00 54.97 53.81 3i69 s GLU 3 Cb 0.00 -2.34 -0.10 0.00 -4.31 0.00 0.00 34.13 27.37 3i69 s GLU 3 CO 0.00 -1.22 1.30 0.15 0.01 0.00 0.00 175.26 175.50 3i69 s LYS 4 N -5.06 4.37 0.13 1.61 1.02 -1.26 -4.91 119.74 115.65 3i69 s LYS 4 Ca 0.63 2.18 -0.35 0.00 0.02 0.00 0.00 55.97 58.45 3i69 s LYS 4 Cb -0.08 -3.09 -0.16 0.00 -0.52 0.00 0.00 37.83 33.99 3i69 s LYS 4 CO 0.43 -0.18 1.37 -2.30 -0.92 0.00 0.00 175.35 173.75 3i69 n PRO 5 N 1.03 1.47 -3.72 -1.68 -0.01 -1.26 -4.73 135.00 126.10 3i69 n PRO 5 Ca 0.01 0.53 -0.37 0.00 -0.01 0.00 0.00 63.50 63.66 3i69 n PRO 5 Cb 0.42 -2.18 -0.12 0.00 -0.01 0.00 0.00 33.50 31.61 3i69 n PRO 5 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 175.50 175.70 3i69 s LYS 6 N 0.35 3.77 -0.31 -0.52 2.20 -0.03 -1.82 119.74 123.38 3i69 s LYS 6 Ca 0.80 -0.42 -0.16 0.00 -0.36 0.00 0.00 55.97 55.83 3i69 s LYS 6 Cb -0.84 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.04 3i69 s LYS 6 CO 0.46 -0.15 0.42 -0.51 -0.36 0.00 0.00 175.35 175.21 3i69 s LEU 7 N 1.57 4.21 -0.40 5.43 1.02 -0.37 -0.29 118.68 129.85 3i69 s LEU 7 Ca 0.06 0.11 -0.11 0.00 0.02 0.00 0.00 54.13 54.22 3i69 s LEU 7 Cb -0.15 -2.47 0.05 0.00 0.02 0.00 0.00 46.19 43.64 3i69 s LEU 7 CO 0.06 -0.31 0.25 -1.00 0.02 0.00 0.00 176.35 175.37 3i69 s HIS 8 N 2.17 3.28 0.22 0.29 3.76 0.84 -1.68 115.29 124.17 3i69 s HIS 8 Ca 0.16 -1.21 -0.23 0.00 -0.15 0.00 0.00 55.06 53.63 3i69 s HIS 8 Cb -0.16 -2.73 0.05 0.00 1.11 0.00 0.00 32.58 30.85 3i69 s HIS 8 CO 0.11 -0.75 0.88 -0.47 -0.85 0.00 0.00 174.74 173.66 3i69 s TYR 9 N 1.50 -0.10 0.86 1.40 5.04 -1.20 -2.50 117.35 122.35 3i69 s TYR 9 Ca 0.02 -0.29 -0.11 0.00 -2.44 0.00 0.00 57.07 54.25 3i69 s TYR 9 Cb -0.21 0.69 0.11 0.00 0.35 0.00 0.00 41.96 42.90 3i69 s TYR 9 CO 0.05 -1.03 1.15 -0.06 -1.34 0.00 0.00 175.55 174.31 3i69 s PHE 10 N -3.27 1.86 -1.11 4.97 0.08 -1.26 -1.37 117.98 117.87 3i69 s PHE 10 Ca 0.13 1.72 -0.21 0.00 0.12 0.00 0.00 56.93 58.69 3i69 s PHE 10 Cb -0.03 -3.31 0.05 0.00 -0.57 0.00 0.00 43.02 39.16 3i69 s PHE 10 CO 0.05 -2.59 1.58 1.21 -0.10 0.00 0.00 175.22 175.37 3i69 s ASN 11 N -2.71 6.51 0.00 1.36 3.84 -1.26 -4.77 114.94 117.91 3i69 s ASN 11 Ca 0.67 -1.76 0.00 0.00 0.21 0.00 0.00 52.86 51.98 3i69 s ASN 11 Cb -0.23 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.90 3i69 s ASN 11 CO 0.56 -1.50 0.00 0.61 -2.79 0.00 0.00 177.10 173.98 3i69 n GLY 12 N 6.36 -1.63 0.00 1.21 0.00 -1.26 -4.97 105.19 104.90 3i69 n GLY 12 Ca 0.39 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3i69 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i69 n ARG 13 N -0.23 0.00 0.00 1.61 1.74 -1.26 -4.71 116.66 113.81 3i69 n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i69 n ARG 13 Cb 0.00 -0.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 3i69 n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i69 n GLY 14 N 1.90 2.43 0.76 -0.13 0.00 -1.26 -2.12 105.19 106.76 3i69 n GLY 14 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.07 3i69 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i69 n ARG 15 N 14.00 1.99 -0.02 1.61 1.74 -1.26 -3.62 116.66 131.11 3i69 n ARG 15 Ca 0.00 -1.49 0.03 0.00 -0.77 0.00 0.00 57.85 55.62 3i69 n ARG 15 Cb 0.00 -1.43 -0.13 0.00 -1.02 0.00 0.00 32.46 29.87 3i69 n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3i69 n MET 16 N 0.72 0.66 -0.30 5.56 1.56 -0.91 -4.63 117.12 119.78 3i69 n MET 16 Ca 0.17 -0.04 0.02 0.00 -0.27 0.00 0.00 57.70 57.58 3i69 n MET 16 Cb 0.43 -1.60 0.16 0.00 2.15 0.00 0.00 33.22 34.35 3i69 n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 3i69 h GLU 17 N 0.00 0.83 0.00 2.12 4.57 -1.49 -1.21 114.58 119.40 3i69 h GLU 17 Ca -0.18 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3i69 h GLU 17 Cb 1.46 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3i69 h GLU 17 CO 0.02 0.55 0.00 0.66 -1.18 0.00 0.00 179.01 179.06 3i69 h SER 18 N 0.85 0.00 0.55 1.04 4.64 -1.82 -1.03 113.55 117.78 3i69 h SER 18 Ca 0.39 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.50 3i69 h SER 18 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3i69 h SER 18 CO -0.22 0.00 -0.93 0.74 -0.87 0.00 0.00 176.83 175.55 3i69 h THR 19 N 0.00 1.48 -0.34 2.95 2.02 -1.53 -2.55 112.91 114.95 3i69 h THR 19 Ca 0.00 -2.66 -0.05 0.00 0.77 0.00 0.00 66.41 64.47 3i69 h THR 19 Cb 0.69 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 3i69 h THR 19 CO 0.00 0.78 0.02 0.03 0.37 0.00 0.00 175.52 176.71 3i69 h ARG 20 N 0.13 0.59 -0.10 6.66 3.08 -0.61 -1.37 114.38 122.75 3i69 h ARG 20 Ca -0.06 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 59.84 3i69 h ARG 20 Cb 1.58 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.54 3i69 h ARG 20 CO 0.15 0.70 -0.08 -1.49 -1.07 0.00 0.00 179.97 178.18 3i69 h TRP 21 N 0.40 -0.19 -0.61 3.04 4.06 -1.36 -1.95 115.95 119.35 3i69 h TRP 21 Ca 0.10 0.01 -0.10 0.00 2.06 0.00 0.00 58.89 60.96 3i69 h TRP 21 Cb 0.42 0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 3i69 h TRP 21 CO 0.03 -0.12 -0.00 1.25 -3.56 0.00 0.00 178.44 176.04 3i69 h LEU 22 N -0.09 1.06 0.10 -4.49 5.85 -1.39 0.32 115.31 116.67 3i69 h LEU 22 Ca 0.07 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3i69 h LEU 22 Cb 0.18 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3i69 h LEU 22 CO -0.15 1.11 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.94 3i69 h LEU 23 N 0.98 -0.12 -0.43 2.25 3.38 -1.19 -1.91 115.31 118.27 3i69 h LEU 23 Ca 0.17 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3i69 h LEU 23 Cb 0.57 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3i69 h LEU 23 CO 0.03 0.08 0.24 0.00 0.09 0.00 0.00 178.44 178.89 3i69 h ALA 24 N 0.57 0.54 -0.85 1.53 0.00 -1.25 -1.08 119.26 118.72 3i69 h ALA 24 Ca -0.01 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.04 3i69 h ALA 24 Cb 0.26 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3i69 h ALA 24 CO 0.02 -0.09 0.55 0.00 0.00 0.00 0.00 179.25 179.74 3i69 h ALA 25 N 1.20 1.93 -0.05 0.00 0.00 -0.29 0.31 119.26 122.36 3i69 h ALA 25 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i69 h ALA 25 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i69 h ALA 25 CO -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.00 3i69 n ALA 26 N -2.46 2.60 -1.11 0.00 0.00 -0.71 -4.70 120.51 114.12 3i69 n ALA 26 Ca 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 3i69 n ALA 26 Cb 0.49 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3i69 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i69 n GLY 27 N 0.99 0.67 3.57 0.00 0.00 0.10 -5.00 105.19 105.52 3i69 n GLY 27 Ca 0.18 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 3i69 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i69 s VAL 28 N -2.05 5.27 0.32 1.61 1.01 -0.49 -5.00 120.40 121.08 3i69 s VAL 28 Ca 0.00 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 3i69 s VAL 28 Cb 0.00 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 3i69 s VAL 28 CO 0.00 0.12 1.17 -1.61 0.00 0.00 0.00 175.10 174.78 3i69 s GLU 29 N 1.81 4.42 0.08 2.72 2.02 -1.26 -4.19 118.70 124.30 3i69 s GLU 29 Ca 0.08 1.92 -0.00 0.00 0.02 0.00 0.00 54.97 56.99 3i69 s GLU 29 Cb -0.16 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 3i69 s GLU 29 CO 0.11 -0.02 -0.03 -0.59 0.02 0.00 0.00 175.26 174.75 3i69 s PHE 30 N -1.23 0.71 0.23 1.61 -0.12 -1.26 -4.32 117.98 113.60 3i69 s PHE 30 Ca 0.49 -1.04 0.08 0.00 -0.05 0.00 0.00 56.93 56.41 3i69 s PHE 30 Cb -0.33 -0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 41.56 3i69 s PHE 30 CO 0.43 -0.32 0.05 -1.21 -0.05 0.00 0.00 175.22 174.13 3i69 s GLU 31 N -3.91 2.51 -0.02 1.99 2.02 -0.76 -5.01 118.70 115.53 3i69 s GLU 31 Ca 0.11 -1.21 0.05 0.00 0.02 0.00 0.00 54.97 53.94 3i69 s GLU 31 Cb 0.07 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 31.95 3i69 s GLU 31 CO -0.06 0.41 -0.17 -1.21 0.02 0.00 0.00 175.26 174.24 3i69 s GLU 32 N -3.48 1.50 -0.23 1.61 2.02 -1.26 -1.23 118.70 117.63 3i69 s GLU 32 Ca 0.31 -0.60 -0.01 0.00 0.02 0.00 0.00 54.97 54.68 3i69 s GLU 32 Cb -0.08 -1.40 0.02 0.00 0.10 0.00 0.00 34.13 32.78 3i69 s GLU 32 CO 0.21 0.32 -0.09 0.21 0.02 0.00 0.00 175.26 175.93 3i69 s LYS 33 N -0.24 2.87 0.19 1.61 2.20 -0.67 -4.92 119.74 120.77 3i69 s LYS 33 Ca 0.03 -0.94 -0.23 0.00 -0.36 0.00 0.00 55.97 54.46 3i69 s LYS 33 Cb -0.08 -2.89 -0.08 0.00 -1.51 0.00 0.00 37.83 33.27 3i69 s LYS 33 CO 0.00 -0.35 0.76 -0.06 -0.36 0.00 0.00 175.35 175.34 3i69 s PHE 34 N 1.31 3.82 -0.56 4.03 0.08 -1.26 -3.22 117.98 122.18 3i69 s PHE 34 Ca 0.01 1.56 -0.20 0.00 0.12 0.00 0.00 56.93 58.42 3i69 s PHE 34 Cb -0.16 -2.72 0.07 0.00 -0.57 0.00 0.00 43.02 39.64 3i69 s PHE 34 CO -0.06 0.45 0.73 0.42 -0.10 0.00 0.00 175.22 176.66 3i69 s ILE 35 N -1.28 4.73 -0.16 0.64 1.01 -0.47 -4.90 121.20 120.77 3i69 s ILE 35 Ca 0.38 -0.58 0.19 0.00 0.00 0.00 0.00 60.65 60.64 3i69 s ILE 35 Cb -0.21 -4.45 -0.10 0.00 0.01 0.00 0.00 42.46 37.72 3i69 s ILE 35 CO 0.24 -1.05 0.88 0.29 0.00 0.00 0.00 174.94 175.31 3i69 n LYS 36 N 6.58 0.62 -4.07 2.79 4.76 -1.26 -4.51 118.16 123.06 3i69 n LYS 36 Ca -0.06 0.18 -0.10 0.00 -2.87 0.00 0.00 58.31 55.46 3i69 n LYS 36 Cb 0.44 -1.80 -0.09 0.00 -1.84 0.00 0.00 35.03 31.74 3i69 n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3i69 s SER 37 N -5.60 0.21 0.54 4.39 1.04 -1.26 -4.91 113.70 108.10 3i69 s SER 37 Ca -0.02 -1.06 0.24 0.00 0.48 0.00 0.00 55.95 55.58 3i69 s SER 37 Cb 0.09 0.35 1.49 0.00 0.10 0.00 0.00 66.02 68.05 3i69 s SER 37 CO 0.81 -0.79 2.15 0.00 0.98 0.00 0.00 173.24 176.39 3i69 h ALA 38 N 2.75 1.60 -0.09 5.32 0.00 -1.80 -2.67 119.26 124.36 3i69 h ALA 38 Ca -0.34 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 3i69 h ALA 38 Cb 1.21 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3i69 h ALA 38 CO 0.55 0.07 -0.88 1.49 0.00 0.00 0.00 179.25 180.48 3i69 h GLU 39 N 0.00 0.74 -0.98 0.00 4.81 -1.96 -2.16 114.58 115.04 3i69 h GLU 39 Ca -0.00 -0.68 0.04 0.00 -0.13 0.00 0.00 59.36 58.60 3i69 h GLU 39 Cb 0.13 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 3i69 h GLU 39 CO 0.01 1.27 0.64 -0.44 -0.73 0.00 0.00 179.01 179.76 3i69 h ASP 40 N 0.47 1.05 -0.30 1.04 3.32 -1.89 0.00 116.42 120.13 3i69 h ASP 40 Ca -0.08 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 3i69 h ASP 40 Cb 1.52 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 3i69 h ASP 40 CO 0.18 0.71 -0.08 0.25 -1.72 0.00 0.00 179.24 178.58 3i69 h LEU 41 N 1.21 0.58 -0.19 1.55 5.85 -1.43 -3.14 115.31 119.75 3i69 h LEU 41 Ca 0.39 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3i69 h LEU 41 Cb 0.04 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3i69 h LEU 41 CO -0.13 0.82 0.03 0.44 -0.34 0.00 0.00 178.44 179.26 3i69 h ASP 42 N 0.34 -0.01 -1.01 1.25 3.32 -0.71 -1.87 116.42 117.74 3i69 h ASP 42 Ca 0.07 0.03 0.19 0.00 0.02 0.00 0.00 57.03 57.35 3i69 h ASP 42 Cb 0.57 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.06 3i69 h ASP 42 CO 0.03 0.02 0.61 0.50 -1.72 0.00 0.00 179.24 178.68 3i69 h LYS 43 N 0.10 0.74 0.02 3.56 1.63 -1.05 0.22 116.57 121.79 3i69 h LYS 43 Ca 0.08 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3i69 h LYS 43 Cb 0.09 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 3i69 h LYS 43 CO -0.12 0.49 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.29 3i69 h LEU 44 N 0.76 -0.02 0.13 5.20 3.38 -1.40 -1.85 115.31 121.50 3i69 h LEU 44 Ca 0.58 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 58.24 3i69 h LEU 44 Cb 0.92 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 3i69 h LEU 44 CO -0.39 0.32 -0.25 0.03 0.09 0.00 0.00 178.44 178.23 3i69 h ARG 45 N -0.36 -0.45 -0.00 1.13 3.08 -0.59 -2.50 114.38 114.68 3i69 h ARG 45 Ca -0.00 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3i69 h ARG 45 Cb 0.35 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3i69 h ARG 45 CO 0.00 -0.30 -0.18 -0.91 -1.07 0.00 0.00 179.97 177.51 3i69 h ASN 46 N -0.47 0.01 0.39 7.04 2.35 -0.64 0.24 115.58 124.50 3i69 h ASN 46 Ca 0.03 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3i69 h ASN 46 Cb 0.49 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3i69 h ASN 46 CO -0.13 0.19 0.00 0.47 -1.65 0.00 0.00 177.43 176.30 3i69 n ASP 47 N -4.32 0.38 -0.48 5.81 8.00 -0.70 -4.89 116.55 120.35 3i69 n ASP 47 Ca -0.02 0.62 -0.02 0.00 0.71 0.00 0.00 54.79 56.07 3i69 n ASP 47 Cb 0.24 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 3i69 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i69 n GLY 48 N -0.53 0.49 0.00 0.44 0.00 0.83 -4.96 105.19 101.46 3i69 n GLY 48 Ca 0.01 -0.71 0.09 0.00 0.00 0.00 0.00 46.02 45.42 3i69 n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i69 n TYR 49 N -3.51 0.00 -3.66 1.61 4.01 -0.96 -4.80 117.16 109.85 3i69 n TYR 49 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 3i69 n TYR 49 Cb 0.51 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 39.21 3i69 n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i69 s LEU 50 N -3.66 5.23 0.53 7.72 1.43 -1.26 -4.89 118.68 123.79 3i69 s LEU 50 Ca -0.00 -1.73 0.19 0.00 -1.03 0.00 0.00 54.13 51.56 3i69 s LEU 50 Cb 0.13 -1.93 1.37 0.00 0.03 0.00 0.00 46.19 45.79 3i69 s LEU 50 CO 0.80 -0.56 2.16 -0.03 0.23 0.00 0.00 176.35 178.95 3i69 h MET 51 N 8.30 0.00 0.00 1.70 1.85 -1.87 -1.65 114.93 123.26 3i69 h MET 51 Ca -0.20 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.88 3i69 h MET 51 Cb 1.07 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.08 3i69 h MET 51 CO 0.75 0.01 -0.25 1.19 -0.40 0.00 0.00 176.91 178.21 3i69 n PHE 52 N -4.38 0.00 -1.61 1.39 3.72 -1.26 -4.97 117.46 110.35 3i69 n PHE 52 Ca -0.03 -1.08 -0.21 0.00 -0.05 0.00 0.00 57.45 56.08 3i69 n PHE 52 Cb 0.10 -0.18 -0.09 0.00 -0.94 0.00 0.00 39.48 38.37 3i69 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i69 n GLN 53 N -1.14 -1.46 -4.34 -1.08 1.13 -0.62 -4.98 117.38 104.89 3i69 n GLN 53 Ca 0.15 1.24 -0.24 0.00 -1.94 0.00 0.00 57.00 56.21 3i69 n GLN 53 Cb 0.68 -5.63 -0.12 0.00 0.11 0.00 0.00 30.24 25.29 3i69 n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3i69 s GLN 54 N -3.77 1.28 0.34 -1.09 -0.21 -1.26 -5.02 119.66 109.92 3i69 s GLN 54 Ca 0.00 -1.34 0.07 0.00 0.02 0.00 0.00 55.36 54.12 3i69 s GLN 54 Cb 0.00 -1.52 -0.02 0.00 1.00 0.00 0.00 33.01 32.47 3i69 s GLN 54 CO 0.00 0.34 0.33 0.14 -2.12 0.00 0.00 175.29 173.98 3i69 s VAL 55 N -1.54 3.61 0.48 1.09 -7.23 -1.26 -4.70 120.40 110.85 3i69 s VAL 55 Ca 0.13 -1.29 -0.24 0.00 -1.81 0.00 0.00 61.98 58.77 3i69 s VAL 55 Cb -0.08 -3.22 -0.08 0.00 0.56 0.00 0.00 36.38 33.56 3i69 s VAL 55 CO 0.06 -0.16 1.31 -2.65 -0.31 0.00 0.00 175.10 173.35 3i69 n PRO 56 N -1.44 1.85 -4.23 4.82 -0.02 -1.26 -4.95 135.00 129.78 3i69 n PRO 56 Ca -0.01 0.67 -0.18 0.00 -2.02 0.00 0.00 63.50 61.96 3i69 n PRO 56 Cb 0.59 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.45 3i69 n PRO 56 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3i69 s MET 57 N -2.50 0.60 -0.09 -0.52 1.75 -1.04 -3.73 119.30 113.77 3i69 s MET 57 Ca 0.65 -0.22 0.04 0.00 -1.25 0.00 0.00 55.69 54.92 3i69 s MET 57 Cb -0.46 -0.59 0.00 0.00 2.84 0.00 0.00 34.83 36.62 3i69 s MET 57 CO 0.54 0.10 -0.22 0.08 -0.65 0.00 0.00 175.02 174.87 3i69 s VAL 58 N 0.05 1.93 -0.26 10.11 1.01 0.25 -0.11 120.40 133.38 3i69 s VAL 58 Ca -0.00 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.84 3i69 s VAL 58 Cb -0.05 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3i69 s VAL 58 CO -0.00 0.53 0.57 -1.61 0.00 0.00 0.00 175.10 174.59 3i69 s GLU 59 N 0.33 4.09 -0.24 2.72 2.02 0.61 -1.05 118.70 127.18 3i69 s GLU 59 Ca -0.17 0.42 -0.14 0.00 0.02 0.00 0.00 54.97 55.10 3i69 s GLU 59 Cb -0.17 -3.65 0.07 0.00 0.10 0.00 0.00 34.13 30.48 3i69 s GLU 59 CO 0.08 -0.37 0.60 -1.50 0.02 0.00 0.00 175.26 174.08 3i69 s ILE 60 N 2.38 -0.01 -1.65 -1.63 2.07 -0.84 -0.85 121.20 120.68 3i69 s ILE 60 Ca 0.23 0.03 -0.12 0.00 -1.41 0.00 0.00 60.65 59.38 3i69 s ILE 60 Cb -0.16 -0.87 0.11 0.00 0.13 0.00 0.00 42.46 41.68 3i69 s ILE 60 CO 0.09 0.01 0.54 0.47 -1.91 0.00 0.00 174.94 174.14 3i69 n ASP 61 N 4.17 -1.67 0.00 4.50 8.00 -1.26 -1.40 116.55 128.89 3i69 n ASP 61 Ca -0.21 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.20 3i69 n ASP 61 Cb 0.58 -2.41 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 3i69 n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i69 n GLY 62 N -1.66 0.58 3.70 0.44 0.00 -1.26 -5.01 105.19 101.98 3i69 n GLY 62 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 3i69 n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i69 s MET 63 N -0.29 2.50 -0.34 1.61 -1.94 -0.49 -5.10 119.30 115.24 3i69 s MET 63 Ca 0.00 -1.28 -0.01 0.00 -1.71 0.00 0.00 55.69 52.70 3i69 s MET 63 Cb 0.00 -2.30 0.08 0.00 2.01 0.00 0.00 34.83 34.62 3i69 s MET 63 CO 0.00 0.38 0.06 0.15 -0.01 0.00 0.00 175.02 175.61 3i69 s LYS 64 N -3.66 2.10 -0.22 2.03 1.02 -1.26 -1.98 119.74 117.77 3i69 s LYS 64 Ca 0.32 -1.57 -0.10 0.00 0.02 0.00 0.00 55.97 54.64 3i69 s LYS 64 Cb -0.07 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 3i69 s LYS 64 CO 0.21 -0.82 0.14 -0.51 -0.92 0.00 0.00 175.35 173.45 3i69 s LEU 65 N 1.14 4.14 0.48 3.17 1.43 -0.21 -4.93 118.68 123.90 3i69 s LEU 65 Ca 0.02 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3i69 s LEU 65 Cb -0.21 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3i69 s LEU 65 CO -0.04 0.12 0.01 0.68 0.23 0.00 0.00 176.35 177.35 3i69 s VAL 66 N 0.69 1.40 0.02 -1.59 -7.23 -1.26 -0.59 120.40 111.84 3i69 s VAL 66 Ca 0.07 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3i69 s VAL 66 Cb -0.12 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.43 3i69 s VAL 66 CO 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.80 3i69 n GLN 67 N -1.19 -2.07 -0.22 4.82 1.13 -1.24 -4.34 117.38 114.27 3i69 n GLN 67 Ca -0.15 1.80 0.03 0.00 -1.94 0.00 0.00 57.00 56.73 3i69 n GLN 67 Cb 0.67 -2.09 0.14 0.00 0.11 0.00 0.00 30.24 29.07 3i69 n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3i69 h THR 68 N 1.68 0.58 0.00 5.09 2.02 -1.90 0.61 112.91 120.98 3i69 h THR 68 Ca 0.00 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3i69 h THR 68 Cb 0.00 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3i69 h THR 68 CO 0.00 0.05 -0.21 0.03 0.37 0.00 0.00 175.52 175.76 3i69 h ARG 69 N 0.26 0.00 -0.13 6.66 3.08 -1.98 -0.61 114.38 121.67 3i69 h ARG 69 Ca 0.36 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.34 3i69 h ARG 69 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3i69 h ARG 69 CO -0.46 0.21 -0.19 0.00 -1.07 0.00 0.00 179.97 178.46 3i69 h ALA 70 N 1.79 0.19 -0.03 0.04 0.00 -1.14 -2.82 119.26 117.30 3i69 h ALA 70 Ca -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i69 h ALA 70 Cb 0.66 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3i69 h ALA 70 CO 0.03 0.12 0.01 0.82 0.00 0.00 0.00 179.25 180.23 3i69 h ILE 71 N -0.06 1.08 -0.04 0.00 2.04 -0.71 -2.62 117.51 117.20 3i69 h ILE 71 Ca 0.01 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3i69 h ILE 71 Cb 0.75 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3i69 h ILE 71 CO 0.04 0.07 0.02 -0.07 0.00 0.00 0.00 178.15 178.21 3i69 h LEU 72 N -0.06 0.05 -0.48 1.44 3.38 -1.22 -2.83 115.31 115.60 3i69 h LEU 72 Ca 0.01 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 57.92 3i69 h LEU 72 Cb 0.10 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 3i69 h LEU 72 CO -0.00 0.19 -0.21 0.78 0.09 0.00 0.00 178.44 179.29 3i69 h ASN 73 N -0.09 -0.73 -0.07 -0.43 4.21 -1.52 0.07 115.58 117.02 3i69 h ASN 73 Ca 0.01 0.17 0.02 0.00 1.21 0.00 0.00 56.30 57.72 3i69 h ASN 73 Cb 0.15 0.40 -0.02 0.00 -1.12 0.00 0.00 38.32 37.73 3i69 h ASN 73 CO -0.00 -0.24 -0.05 0.22 -1.29 0.00 0.00 177.43 176.07 3i69 h TYR 74 N -0.11 -0.13 -0.18 1.19 3.20 -1.34 -0.17 116.97 119.44 3i69 h TYR 74 Ca 0.22 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 3i69 h TYR 74 Cb 0.46 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3i69 h TYR 74 CO -0.48 -0.08 -0.16 0.82 -1.64 0.00 0.00 178.16 176.61 3i69 h ILE 75 N -0.06 1.21 -0.11 1.81 2.04 -1.24 0.25 117.51 121.41 3i69 h ILE 75 Ca 0.05 -0.93 -0.20 0.00 1.00 0.00 0.00 64.86 64.77 3i69 h ILE 75 Cb 0.13 1.26 0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3i69 h ILE 75 CO -0.11 0.29 -0.72 0.00 0.00 0.00 0.00 178.15 177.61 3i69 h ALA 76 N 1.56 0.23 0.11 1.87 0.00 -0.41 -2.51 119.26 120.12 3i69 h ALA 76 Ca 0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3i69 h ALA 76 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i69 h ALA 76 CO 0.03 0.57 -0.05 1.03 0.00 0.00 0.00 179.25 180.82 3i69 h SER 77 N 0.35 -0.13 -0.33 0.00 0.87 -0.73 0.37 113.55 113.95 3i69 h SER 77 Ca -0.06 -0.29 0.07 0.00 -1.23 0.00 0.00 61.79 60.28 3i69 h SER 77 Cb 1.37 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 63.28 3i69 h SER 77 CO 0.15 0.24 -0.28 0.50 -0.53 0.00 0.00 176.83 176.90 3i69 h LYS 78 N -0.51 -0.24 -0.88 2.24 3.64 -1.02 -2.38 116.57 117.41 3i69 h LYS 78 Ca -0.02 0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 3i69 h LYS 78 Cb 0.42 0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.14 3i69 h LYS 78 CO 0.03 -0.16 0.32 0.66 -2.27 0.00 0.00 179.45 178.02 3i69 n TYR 79 N -5.40 2.07 -2.95 1.91 4.01 -0.95 -4.91 117.16 110.94 3i69 n TYR 79 Ca 0.00 -1.17 -0.21 0.00 -0.16 0.00 0.00 57.90 56.36 3i69 n TYR 79 Cb 0.32 -0.65 0.02 0.00 -0.31 0.00 0.00 39.34 38.72 3i69 n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i69 n ASN 80 N -0.30 -5.35 -1.21 7.72 3.02 -0.90 -4.86 115.26 113.37 3i69 n ASN 80 Ca 0.37 -0.22 0.08 0.00 -0.03 0.00 0.00 54.58 54.77 3i69 n ASN 80 Cb 1.24 -4.38 0.29 0.00 -0.61 0.00 0.00 39.78 36.33 3i69 n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i69 n LEU 81 N -3.71 4.25 -1.70 3.41 4.77 0.13 -4.53 117.00 119.61 3i69 n LEU 81 Ca -0.11 -2.62 -0.17 0.00 -0.03 0.00 0.00 56.01 53.07 3i69 n LEU 81 Cb 0.61 -0.51 0.12 0.00 -2.33 0.00 0.00 43.42 41.30 3i69 n LEU 81 CO 0.43 0.73 0.69 0.00 -1.33 0.00 0.00 177.39 177.90 3i69 n TYR 82 N 0.39 2.10 -4.44 -1.77 4.19 -1.12 -0.72 117.16 115.79 3i69 n TYR 82 Ca 0.22 -2.11 0.00 0.00 3.31 0.00 0.00 57.90 59.32 3i69 n TYR 82 Cb 0.84 -0.65 0.00 0.00 0.49 0.00 0.00 39.34 40.02 3i69 n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3i69 n GLY 83 N -0.95 -1.34 0.00 2.98 0.00 -1.26 -4.41 105.19 100.21 3i69 n GLY 83 Ca 0.43 -1.21 0.02 0.00 0.00 0.00 0.00 46.02 45.26 3i69 n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i69 n LYS 84 N -0.70 2.05 -4.03 1.61 2.85 -1.26 -4.98 118.16 113.69 3i69 n LYS 84 Ca 0.00 -0.02 -0.13 0.00 -1.05 0.00 0.00 58.31 57.11 3i69 n LYS 84 Cb 0.00 -0.94 -0.04 0.00 -0.65 0.00 0.00 35.03 33.41 3i69 n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3i69 s ASP 85 N -2.03 0.55 0.29 -5.58 1.47 -1.26 -5.05 116.67 105.06 3i69 s ASP 85 Ca -0.00 -1.31 0.01 0.00 1.18 0.00 0.00 52.55 52.42 3i69 s ASP 85 Cb 0.02 0.67 0.52 0.00 -0.34 0.00 0.00 42.92 43.79 3i69 s ASP 85 CO 0.14 -1.31 1.87 -0.29 0.68 0.00 0.00 175.17 176.26 3i69 h ILE 86 N 2.14 1.01 -0.22 2.11 2.10 -1.98 -0.69 117.51 121.97 3i69 h ILE 86 Ca -0.28 -0.36 -0.06 0.00 1.08 0.00 0.00 64.86 65.24 3i69 h ILE 86 Cb 1.24 -0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 36.84 3i69 h ILE 86 CO 0.39 0.19 -0.08 0.11 -1.08 0.00 0.00 178.15 177.68 3i69 h LYS 87 N 1.04 0.44 -0.91 2.19 1.57 -2.00 -2.22 116.57 116.68 3i69 h LYS 87 Ca 0.44 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3i69 h LYS 87 Cb 0.33 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 3i69 h LYS 87 CO -0.20 0.70 0.56 0.93 -0.57 0.00 0.00 179.45 180.87 3i69 h GLU 88 N 0.16 1.24 -0.77 3.15 5.08 -1.84 -1.96 114.58 119.64 3i69 h GLU 88 Ca 0.05 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3i69 h GLU 88 Cb 0.55 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3i69 h GLU 88 CO 0.03 0.86 0.50 0.00 -1.00 0.00 0.00 179.01 179.40 3i69 h ARG 89 N 1.26 0.86 -0.25 2.33 3.08 -0.98 -0.82 114.38 119.86 3i69 h ARG 89 Ca 0.33 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 3i69 h ARG 89 Cb -0.07 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3i69 h ARG 89 CO -0.06 0.57 -0.02 0.00 -1.07 0.00 0.00 179.97 179.39 3i69 h ALA 90 N 1.57 0.34 0.08 0.04 0.00 -0.73 0.16 119.26 120.71 3i69 h ALA 90 Ca 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i69 h ALA 90 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i69 h ALA 90 CO -0.10 0.09 -0.04 -0.07 0.00 0.00 0.00 179.25 179.13 3i69 h LEU 91 N 0.21 -0.09 -0.58 0.00 3.38 -1.17 -0.56 115.31 116.51 3i69 h LEU 91 Ca 0.07 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.79 3i69 h LEU 91 Cb 0.45 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 3i69 h LEU 91 CO 0.02 0.31 -0.41 0.40 0.09 0.00 0.00 178.44 178.84 3i69 h ILE 92 N -0.51 0.10 -0.94 1.22 2.04 -1.14 0.20 117.51 118.48 3i69 h ILE 92 Ca -0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.96 3i69 h ILE 92 Cb 0.43 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.53 3i69 h ILE 92 CO 0.02 0.00 0.57 0.44 0.00 0.00 0.00 178.15 179.18 3i69 h ASP 93 N -0.21 0.84 0.14 1.72 3.32 -0.61 0.56 116.42 122.17 3i69 h ASP 93 Ca 0.19 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3i69 h ASP 93 Cb 0.56 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3i69 h ASP 93 CO -0.69 0.46 -0.07 -0.03 -1.72 0.00 0.00 179.24 177.20 3i69 h MET 94 N 0.93 -0.19 -0.01 3.56 4.05 0.32 -0.61 114.93 122.98 3i69 h MET 94 Ca 0.46 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.89 3i69 h MET 94 Cb 0.42 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.26 3i69 h MET 94 CO -0.25 0.01 -0.01 1.88 0.23 0.00 0.00 176.91 178.76 3i69 h TYR 95 N -0.35 -0.03 0.00 1.39 0.05 -0.08 -2.79 116.97 115.16 3i69 h TYR 95 Ca -0.02 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 3i69 h TYR 95 Cb 0.28 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 3i69 h TYR 95 CO -0.02 -0.02 -0.38 -0.84 -1.05 0.00 0.00 178.16 175.85 3i69 h ILE 96 N -0.02 0.81 0.00 -2.88 3.07 -0.86 -2.24 117.51 115.38 3i69 h ILE 96 Ca 0.01 -1.61 -0.10 0.00 1.55 0.00 0.00 64.86 64.70 3i69 h ILE 96 Cb 0.03 2.02 -0.01 0.00 -0.27 0.00 0.00 36.82 38.59 3i69 h ILE 96 CO -0.02 0.37 -0.50 -0.33 -1.05 0.00 0.00 178.15 176.62 3i69 h GLU 97 N 0.00 0.00 -0.09 0.16 4.39 -0.94 0.12 114.58 118.22 3i69 h GLU 97 Ca -0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 3i69 h GLU 97 Cb 0.99 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3i69 h GLU 97 CO 0.05 0.50 -0.73 0.78 -1.16 0.00 0.00 179.01 178.45 3i69 h GLY 98 N 2.54 0.51 0.96 -3.84 0.00 -1.22 -1.68 103.07 100.34 3i69 h GLY 98 Ca -0.00 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.55 3i69 h GLY 98 CO 0.06 0.64 0.05 -2.22 0.00 0.00 0.00 176.54 175.08 3i69 h ILE 99 N 0.32 1.25 -0.78 2.60 2.04 -1.08 -2.98 117.51 118.87 3i69 h ILE 99 Ca -0.03 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 64.93 3i69 h ILE 99 Cb 1.31 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 3i69 h ILE 99 CO 0.13 0.32 0.50 0.00 0.00 0.00 0.00 178.15 179.10 3i69 h ALA 100 N 0.93 1.02 -0.91 1.87 0.00 -0.72 0.26 119.26 121.71 3i69 h ALA 100 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3i69 h ALA 100 Cb 0.41 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3i69 h ALA 100 CO 0.01 0.32 0.50 -0.44 0.00 0.00 0.00 179.25 179.63 3i69 h ASP 101 N 0.98 1.14 -0.16 0.00 3.32 -1.27 0.11 116.42 120.53 3i69 h ASP 101 Ca 0.31 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 3i69 h ASP 101 Cb -0.00 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 3i69 h ASP 101 CO -0.11 0.91 -0.25 0.25 -1.72 0.00 0.00 179.24 178.32 3i69 h LEU 102 N 1.27 0.49 -0.84 1.55 5.85 -1.32 -3.29 115.31 119.02 3i69 h LEU 102 Ca 0.32 -0.53 0.08 0.00 0.84 0.00 0.00 57.88 58.59 3i69 h LEU 102 Cb 0.03 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3i69 h LEU 102 CO -0.05 0.93 0.50 1.23 -0.34 0.00 0.00 178.44 180.71 3i69 h GLY 103 N 0.07 1.30 0.45 3.75 0.00 -0.09 -1.55 103.07 107.00 3i69 h GLY 103 Ca 0.01 -0.35 0.10 0.00 0.00 0.00 0.00 47.33 47.10 3i69 h GLY 103 CO 0.06 0.18 0.42 -2.09 0.00 0.00 0.00 176.54 175.11 3i69 h GLU 104 N 0.87 0.67 -0.23 4.80 4.57 -0.87 -0.05 114.58 124.33 3i69 h GLU 104 Ca 0.39 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.40 3i69 h GLU 104 Cb 0.30 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3i69 h GLU 104 CO -0.22 0.44 -0.42 0.52 -1.18 0.00 0.00 179.01 178.15 3i69 h MET 105 N 0.69 0.56 -0.04 1.92 2.86 -1.36 -0.93 114.93 118.64 3i69 h MET 105 Ca 0.39 -0.29 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 3i69 h MET 105 Cb 0.42 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3i69 h MET 105 CO -0.28 0.88 -0.56 0.82 1.06 0.00 0.00 176.91 178.84 3i69 h ILE 106 N 0.46 1.39 -0.27 -1.22 2.04 -1.01 -2.06 117.51 116.83 3i69 h ILE 106 Ca 0.04 -1.89 -0.17 0.00 1.00 0.00 0.00 64.86 63.83 3i69 h ILE 106 Cb 0.93 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 3i69 h ILE 106 CO 0.08 0.55 -0.50 0.40 0.00 0.00 0.00 178.15 178.68 3i69 h ILE 107 N 0.08 1.29 0.00 -0.67 2.04 -0.38 -3.27 117.51 116.60 3i69 h ILE 107 Ca -0.00 -1.69 -0.05 0.00 1.00 0.00 0.00 64.86 64.11 3i69 h ILE 107 Cb 1.01 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 3i69 h ILE 107 CO 0.08 0.55 -0.25 0.24 0.00 0.00 0.00 178.15 178.77 3i69 h MET 108 N 0.59 0.00 -0.91 2.37 2.86 -1.12 -3.38 114.93 115.33 3i69 h MET 108 Ca 0.01 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.78 3i69 h MET 108 Cb 1.11 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.69 3i69 h MET 108 CO 0.11 0.25 0.53 1.25 1.06 0.00 0.00 176.91 180.11 3i69 h LEU 109 N 0.00 0.73 0.00 1.22 5.85 -1.42 -1.08 115.31 120.61 3i69 h LEU 109 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3i69 h LEU 109 Cb 1.04 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3i69 h LEU 109 CO 0.03 0.37 0.00 -2.65 -0.34 0.00 0.00 178.44 175.85 3i69 n PRO 110 N -4.74 0.06 -0.21 5.25 -0.02 -1.26 -2.29 135.00 131.80 3i69 n PRO 110 Ca 0.17 0.20 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 3i69 n PRO 110 Cb 0.37 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.53 3i69 n PRO 110 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i69 n PHE 111 N -1.45 0.55 -2.39 6.00 3.01 -0.42 -5.00 117.46 117.76 3i69 n PHE 111 Ca 0.05 -0.47 -0.36 0.00 1.01 0.00 0.00 57.45 57.68 3i69 n PHE 111 Cb 0.17 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.60 3i69 n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i69 s PRO 113 N -2.73 3.52 0.61 0.00 0.04 -1.26 -4.88 135.00 130.31 3i69 s PRO 113 Ca 0.63 1.66 0.36 0.00 0.04 0.00 0.00 61.00 63.69 3i69 s PRO 113 Cb -0.25 -2.16 1.98 0.00 0.04 0.00 0.00 34.50 34.12 3i69 s PRO 113 CO 0.30 -0.72 2.25 -1.35 0.04 0.00 0.00 177.00 177.52 3i69 h PRO 114 N 1.53 0.00 -0.59 0.56 0.11 -1.98 -0.61 132.00 131.03 3i69 h PRO 114 Ca -0.50 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.72 3i69 h PRO 114 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3i69 h PRO 114 CO 0.58 0.02 0.40 0.93 -0.21 0.00 0.00 178.00 179.72 3i69 h GLU 115 N 0.00 0.36 -0.01 1.05 4.39 -2.05 -3.07 114.58 115.25 3i69 h GLU 115 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3i69 h GLU 115 Cb 0.12 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3i69 h GLU 115 CO 0.00 0.24 -0.27 0.39 -1.16 0.00 0.00 179.01 178.21 3i69 n GLU 116 N -4.46 1.80 0.07 2.33 1.02 -0.26 -4.75 120.64 116.38 3i69 n GLU 116 Ca 0.10 -0.76 -0.13 0.00 -0.02 0.00 0.00 57.16 56.35 3i69 n GLU 116 Cb 0.39 -1.20 -0.08 0.00 -0.02 0.00 0.00 31.44 30.52 3i69 n GLU 116 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3i69 h LYS 117 N 1.58 -0.17 -0.11 3.49 1.57 -1.38 -2.36 116.57 119.18 3i69 h LYS 117 Ca 0.00 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3i69 h LYS 117 Cb 0.47 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 3i69 h LYS 117 CO 0.00 0.13 -0.15 -0.44 -0.57 0.00 0.00 179.45 178.42 3i69 h ASP 118 N -0.47 -0.47 -0.98 0.86 3.32 -1.85 -0.02 116.42 116.80 3i69 h ASP 118 Ca -0.02 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3i69 h ASP 118 Cb 0.38 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 3i69 h ASP 118 CO 0.03 -0.20 0.64 0.00 -1.72 0.00 0.00 179.24 177.99 3i69 h ALA 119 N 0.84 1.24 -0.56 3.45 0.00 -1.89 -0.94 119.26 121.40 3i69 h ALA 119 Ca 0.09 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3i69 h ALA 119 Cb 0.32 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3i69 h ALA 119 CO -0.23 0.64 -0.06 -0.22 0.00 0.00 0.00 179.25 179.38 3i69 h LYS 120 N 1.33 1.03 -0.38 0.00 1.63 -0.88 -1.06 116.57 118.24 3i69 h LYS 120 Ca 0.36 -0.35 -0.09 0.00 -0.85 0.00 0.00 60.65 59.72 3i69 h LYS 120 Cb -0.14 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 3i69 h LYS 120 CO -0.08 1.04 -0.09 1.25 -3.45 0.00 0.00 179.45 178.12 3i69 h LEU 121 N 0.93 0.74 -0.95 5.20 5.85 -0.75 -1.48 115.31 124.85 3i69 h LEU 121 Ca 0.15 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3i69 h LEU 121 Cb 0.62 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3i69 h LEU 121 CO 0.04 0.94 0.37 0.00 -0.34 0.00 0.00 178.44 179.44 3i69 h ALA 122 N 0.83 1.18 0.01 1.25 0.00 -0.98 -2.28 119.26 119.28 3i69 h ALA 122 Ca 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i69 h ALA 122 Cb 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i69 h ALA 122 CO 0.04 0.62 -0.01 1.25 0.00 0.00 0.00 179.25 181.15 3i69 h LEU 123 N 1.11 -0.01 -0.56 0.00 5.85 -1.07 -0.94 115.31 119.68 3i69 h LEU 123 Ca 0.27 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.95 3i69 h LEU 123 Cb 0.12 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.07 3i69 h LEU 123 CO -0.03 0.14 0.08 0.40 -0.34 0.00 0.00 178.44 178.68 3i69 h ILE 124 N -0.17 0.62 0.15 4.05 2.04 -0.95 0.16 117.51 123.41 3i69 h ILE 124 Ca -0.00 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3i69 h ILE 124 Cb 0.16 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3i69 h ILE 124 CO 0.00 0.04 -0.07 0.11 0.00 0.00 0.00 178.15 178.23 3i69 h LYS 125 N 0.20 -0.20 -0.68 2.37 1.57 -1.36 -1.03 116.57 117.44 3i69 h LYS 125 Ca 0.29 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.22 3i69 h LYS 125 Cb 0.44 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 32.66 3i69 h LYS 125 CO -0.41 0.08 -0.15 0.93 -0.57 0.00 0.00 179.45 179.32 3i69 h GLU 126 N -0.46 0.01 -0.43 3.15 5.08 -0.77 0.22 114.58 121.38 3i69 h GLU 126 Ca -0.02 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3i69 h GLU 126 Cb 0.36 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3i69 h GLU 126 CO 0.03 0.01 0.09 0.87 -1.00 0.00 0.00 179.01 179.01 3i69 h LYS 127 N 0.01 0.64 -0.43 2.33 1.57 -0.55 0.08 116.57 120.22 3i69 h LYS 127 Ca 0.33 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 3i69 h LYS 127 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3i69 h LYS 127 CO -0.70 0.60 -0.04 0.82 -0.57 0.00 0.00 179.45 179.56 3i69 h ILE 128 N 0.62 1.27 -0.11 1.86 2.04 0.30 -1.13 117.51 122.36 3i69 h ILE 128 Ca 0.14 -1.11 -0.19 0.00 1.00 0.00 0.00 64.86 64.70 3i69 h ILE 128 Cb 0.26 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3i69 h ILE 128 CO -0.00 0.38 -0.73 0.50 0.00 0.00 0.00 178.15 178.30 3i69 h LYS 129 N 0.62 0.53 0.00 2.37 3.64 -0.14 -2.11 116.57 121.48 3i69 h LYS 129 Ca 0.12 -0.42 -0.09 0.00 -1.27 0.00 0.00 60.65 58.99 3i69 h LYS 129 Cb 0.55 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3i69 h LYS 129 CO 0.03 1.05 -1.61 -1.71 -2.27 0.00 0.00 179.45 174.94 3i69 n ASN 130 N -3.87 2.42 -0.03 4.20 2.85 -0.03 -4.52 115.26 116.28 3i69 n ASN 130 Ca -0.05 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.37 3i69 n ASN 130 Cb 0.71 1.17 -0.02 0.00 1.24 0.00 0.00 39.78 42.89 3i69 n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3i69 n ARG 131 N -2.12 0.27 -0.07 1.20 0.63 -0.59 -4.78 116.66 111.21 3i69 n ARG 131 Ca -0.09 0.11 -0.08 0.00 -0.92 0.00 0.00 57.85 56.87 3i69 n ARG 131 Cb 0.54 -0.98 -0.05 0.00 0.45 0.00 0.00 32.46 32.42 3i69 n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3i69 h TYR 132 N -0.51 0.00 -0.90 -0.14 0.05 -1.35 -2.81 116.97 111.31 3i69 h TYR 132 Ca -0.03 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.82 3i69 h TYR 132 Cb 0.57 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.25 3i69 h TYR 132 CO -0.21 0.44 0.58 0.74 -1.05 0.00 0.00 178.16 178.67 3i69 h PHE 133 N -1.00 1.02 -0.09 4.88 -1.00 -1.61 0.54 116.94 119.68 3i69 h PHE 133 Ca -0.06 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.65 3i69 h PHE 133 Cb 0.55 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 3i69 h PHE 133 CO 0.01 0.52 -0.38 -1.35 -1.61 0.00 0.00 178.31 175.51 3i69 h PRO 134 N 1.00 0.18 -0.07 1.51 0.11 -1.78 -0.37 132.00 132.58 3i69 h PRO 134 Ca 0.39 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 3i69 h PRO 134 Cb 0.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3i69 h PRO 134 CO -0.15 0.54 0.04 0.00 -0.21 0.00 0.00 178.00 178.22 3i69 h ALA 135 N 1.46 0.09 0.09 -0.75 0.00 -0.65 -1.37 119.26 118.13 3i69 h ALA 135 Ca 0.02 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 3i69 h ALA 135 Cb 0.75 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3i69 h ALA 135 CO 0.06 -0.39 -1.15 0.74 0.00 0.00 0.00 179.25 178.50 3i69 h PHE 136 N 0.06 0.66 -0.67 0.00 0.04 -1.25 -2.60 116.94 113.18 3i69 h PHE 136 Ca 0.03 -0.42 0.12 0.00 2.80 0.00 0.00 57.97 60.49 3i69 h PHE 136 Cb 0.03 -0.05 -0.09 0.00 2.20 0.00 0.00 35.95 38.05 3i69 h PHE 136 CO -0.06 1.29 0.24 1.49 -0.60 0.00 0.00 178.31 180.66 3i69 h GLU 137 N 0.17 0.38 -0.55 1.51 4.57 -1.08 -1.29 114.58 118.28 3i69 h GLU 137 Ca -0.13 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 3i69 h GLU 137 Cb 1.83 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 30.31 3i69 h GLU 137 CO 0.20 0.25 0.20 -0.22 -1.18 0.00 0.00 179.01 178.26 3i69 h LYS 138 N 0.39 0.84 -0.69 1.92 3.64 -1.09 -0.69 116.57 120.90 3i69 h LYS 138 Ca 0.35 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3i69 h LYS 138 Cb 0.50 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3i69 h LYS 138 CO -0.37 0.75 0.28 0.28 -2.27 0.00 0.00 179.45 178.12 3i69 h VAL 139 N 0.76 1.23 0.00 2.00 2.07 -1.04 -0.68 116.25 120.59 3i69 h VAL 139 Ca 0.18 -0.72 -0.17 0.00 0.82 0.00 0.00 66.70 66.81 3i69 h VAL 139 Cb 0.24 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3i69 h VAL 139 CO -0.01 0.29 -0.82 -0.07 0.02 0.00 0.00 177.57 176.98 3i69 h LEU 140 N 0.99 0.03 -0.43 2.57 3.38 -0.89 -3.09 115.31 117.87 3i69 h LEU 140 Ca 0.23 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 3i69 h LEU 140 Cb 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3i69 h LEU 140 CO -0.02 0.84 -0.76 0.50 0.09 0.00 0.00 178.44 179.09 3i69 h LYS 141 N 0.01 0.25 -0.57 1.13 3.64 -0.98 -2.18 116.57 117.87 3i69 h LYS 141 Ca -0.01 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3i69 h LYS 141 Cb 1.45 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.29 3i69 h LYS 141 CO 0.11 0.89 0.37 0.66 -2.27 0.00 0.00 179.45 179.21 3i69 h SER 142 N 0.16 0.66 0.00 4.20 4.64 -1.03 -3.19 113.55 118.99 3i69 h SER 142 Ca -0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3i69 h SER 142 Cb 1.33 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3i69 h SER 142 CO 0.12 0.49 0.00 0.00 -0.87 0.00 0.00 176.83 176.57 3i69 n HIS 143 N -4.44 0.00 -0.67 4.77 1.44 -1.24 -5.03 115.22 110.05 3i69 n HIS 143 Ca 0.05 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 3i69 n HIS 143 Cb 0.05 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.16 3i69 n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i69 n GLY 144 N -0.00 0.00 3.87 -1.39 0.00 -0.82 -4.94 105.19 101.91 3i69 n GLY 144 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3i69 n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i69 s GLN 145 N -1.34 1.86 0.30 1.61 -0.21 -1.26 -4.99 119.66 115.63 3i69 s GLN 145 Ca 0.00 0.19 0.16 0.00 0.02 0.00 0.00 55.36 55.73 3i69 s GLN 145 Cb 0.00 -1.93 0.11 0.00 1.00 0.00 0.00 33.01 32.19 3i69 s GLN 145 CO 0.00 -1.68 1.46 -0.44 -2.12 0.00 0.00 175.29 172.51 3i69 h ASP 146 N -1.12 0.00 -2.80 5.90 3.32 -1.94 -3.46 116.42 116.32 3i69 h ASP 146 Ca -0.47 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 55.94 3i69 h ASP 146 Cb 1.32 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.71 3i69 h ASP 146 CO 0.65 0.41 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.48 3i69 s TYR 147 N -3.00 2.29 0.17 4.55 2.02 -1.26 -4.92 117.35 117.19 3i69 s TYR 147 Ca 0.04 -0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.27 3i69 s TYR 147 Cb 0.07 -1.08 0.07 0.00 -0.40 0.00 0.00 41.96 40.62 3i69 s TYR 147 CO 0.73 0.59 1.72 -0.07 -1.57 0.00 0.00 175.55 176.95 3i69 h LEU 148 N 2.83 0.81 -7.99 -1.29 3.38 -1.88 -3.41 115.31 107.75 3i69 h LEU 148 Ca -0.44 -0.18 -0.53 0.00 0.09 0.00 0.00 57.88 56.83 3i69 h LEU 148 Cb 1.23 -0.21 -0.34 0.00 0.09 0.00 0.00 40.66 41.43 3i69 h LEU 148 CO 0.53 0.77 -0.82 -0.69 0.09 0.00 0.00 178.44 178.32 3i69 s VAL 149 N -5.52 1.20 -1.59 1.22 1.01 -1.26 -4.84 120.40 110.62 3i69 s VAL 149 Ca -0.13 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3i69 s VAL 149 Cb 0.13 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3i69 s VAL 149 CO 0.79 0.37 0.14 0.61 0.00 0.00 0.00 175.10 177.02 3i69 n GLY 150 N 3.88 -0.50 4.04 4.51 0.00 -1.26 -2.82 105.19 113.04 3i69 n GLY 150 Ca -0.22 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3i69 n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i69 n ASN 151 N -2.09 -2.66 -3.50 1.61 5.15 -1.26 -4.93 115.26 107.58 3i69 n ASN 151 Ca -0.19 -0.85 -0.11 0.00 -0.60 0.00 0.00 54.58 52.82 3i69 n ASN 151 Cb 0.66 -2.23 -0.03 0.00 -0.53 0.00 0.00 39.78 37.65 3i69 n ASN 151 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3i69 s LYS 152 N -6.71 1.24 0.09 1.20 -2.85 -1.13 -4.89 119.74 106.69 3i69 s LYS 152 Ca 0.66 -0.56 -0.31 0.00 -1.00 0.00 0.00 55.97 54.75 3i69 s LYS 152 Cb -0.37 0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 35.87 3i69 s LYS 152 CO 0.81 -0.53 1.73 -1.17 0.10 0.00 0.00 175.35 176.29 3i69 s LEU 153 N -2.77 4.38 0.38 2.77 2.96 -1.26 -4.57 118.68 120.57 3i69 s LEU 153 Ca 0.02 2.60 0.04 0.00 -0.22 0.00 0.00 54.13 56.56 3i69 s LEU 153 Cb -0.00 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 3i69 s LEU 153 CO -0.12 -0.94 0.10 -0.94 -1.32 0.00 0.00 176.35 173.14 3i69 s SER 154 N 2.61 2.66 0.56 3.68 1.04 -1.26 -4.85 113.70 118.15 3i69 s SER 154 Ca 0.77 -1.59 0.26 0.00 0.48 0.00 0.00 55.95 55.88 3i69 s SER 154 Cb -0.42 0.34 1.49 0.00 0.10 0.00 0.00 66.02 67.53 3i69 s SER 154 CO 0.34 -0.84 2.03 0.08 0.98 0.00 0.00 173.24 175.84 3i69 h ARG 155 N 1.88 0.00 -0.06 4.02 0.11 -1.30 -2.48 114.38 116.54 3i69 h ARG 155 Ca -0.37 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.64 3i69 h ARG 155 Cb 1.27 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 3i69 h ARG 155 CO 0.61 0.00 -0.27 0.00 0.10 0.00 0.00 179.97 180.40 3i69 h ALA 156 N 1.73 1.42 -0.19 0.08 0.00 -1.89 -1.20 119.26 119.22 3i69 h ALA 156 Ca 0.16 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3i69 h ALA 156 Cb 0.76 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3i69 h ALA 156 CO -0.00 0.41 -0.46 -0.44 0.00 0.00 0.00 179.25 178.76 3i69 h ASP 157 N 0.10 0.52 0.01 0.00 3.32 -1.85 -2.49 116.42 116.05 3i69 h ASP 157 Ca 0.02 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 3i69 h ASP 157 Cb 0.55 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3i69 h ASP 157 CO 0.04 0.91 -0.20 0.40 -1.72 0.00 0.00 179.24 178.67 3i69 h ILE 158 N 0.39 1.62 -0.69 0.35 1.08 -1.46 -2.48 117.51 116.32 3i69 h ILE 158 Ca 0.03 -2.09 -0.00 0.00 -0.39 0.00 0.00 64.86 62.40 3i69 h ILE 158 Cb 0.96 3.00 -0.03 0.00 -3.07 0.00 0.00 36.82 37.67 3i69 h ILE 158 CO 0.08 0.56 0.43 0.45 -0.69 0.00 0.00 178.15 178.98 3i69 h HIS 159 N -0.67 0.89 -0.24 1.37 3.86 -1.34 -0.08 115.15 118.94 3i69 h HIS 159 Ca -0.03 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 3i69 h HIS 159 Cb 1.03 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 3i69 h HIS 159 CO 0.21 0.59 0.09 1.25 0.86 0.00 0.00 177.93 180.93 3i69 h LEU 160 N 0.93 0.34 -0.82 2.43 5.85 -1.54 -1.86 115.31 120.65 3i69 h LEU 160 Ca 0.25 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3i69 h LEU 160 Cb -0.05 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3i69 h LEU 160 CO -0.05 0.43 -0.55 0.58 -0.34 0.00 0.00 178.44 178.51 3i69 h VAL 161 N 0.23 1.29 -0.00 1.05 2.07 -1.25 0.10 116.25 119.73 3i69 h VAL 161 Ca 0.08 -1.94 0.01 0.00 0.82 0.00 0.00 66.70 65.67 3i69 h VAL 161 Cb 0.20 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3i69 h VAL 161 CO -0.00 0.54 -0.07 -0.08 0.02 0.00 0.00 177.57 177.97 3i69 h GLU 162 N 0.00 -0.11 -0.78 1.57 4.81 -0.96 -2.25 114.58 116.86 3i69 h GLU 162 Ca -0.01 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3i69 h GLU 162 Cb 1.03 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 3i69 h GLU 162 CO 0.07 -0.08 0.51 1.25 -0.73 0.00 0.00 179.01 180.04 3i69 h LEU 163 N -0.12 0.77 -1.25 1.64 5.85 -0.33 -1.51 115.31 120.36 3i69 h LEU 163 Ca 0.03 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3i69 h LEU 163 Cb 0.15 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3i69 h LEU 163 CO -0.07 0.51 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.47 3i69 h LEU 164 N 0.89 0.47 -0.66 2.25 3.38 -0.45 -1.24 115.31 119.96 3i69 h LEU 164 Ca 0.33 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 3i69 h LEU 164 Cb 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3i69 h LEU 164 CO -0.11 0.54 -0.17 1.88 0.09 0.00 0.00 178.44 180.68 3i69 h TYR 165 N 0.49 0.98 -0.13 1.13 0.05 -0.70 -1.89 116.97 116.89 3i69 h TYR 165 Ca 0.11 -0.21 -0.16 0.00 0.05 0.00 0.00 58.73 58.52 3i69 h TYR 165 Cb 0.32 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 3i69 h TYR 165 CO 0.01 0.97 -0.59 1.88 -1.05 0.00 0.00 178.16 179.38 3i69 h TYR 166 N 0.77 0.54 -0.37 4.88 0.05 -1.23 -2.73 116.97 118.86 3i69 h TYR 166 Ca 0.11 -0.20 -0.15 0.00 0.05 0.00 0.00 58.73 58.54 3i69 h TYR 166 Cb 0.70 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 3i69 h TYR 166 CO 0.04 0.91 -0.37 0.28 -1.05 0.00 0.00 178.16 177.97 3i69 h VAL 167 N 0.32 1.27 -0.46 -2.88 2.07 -1.23 -1.83 116.25 113.52 3i69 h VAL 167 Ca -0.00 -1.54 0.09 0.00 0.82 0.00 0.00 66.70 66.07 3i69 h VAL 167 Cb 1.12 1.40 -0.09 0.00 -1.52 0.00 0.00 31.29 32.20 3i69 h VAL 167 CO 0.10 0.51 -0.18 -0.08 0.02 0.00 0.00 177.57 177.94 3i69 h GLU 168 N 0.72 -0.08 -0.85 1.57 4.81 -1.30 -1.79 114.58 117.67 3i69 h GLU 168 Ca 0.06 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3i69 h GLU 168 Cb 0.96 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 3i69 h GLU 168 CO 0.09 -0.06 0.53 0.93 -0.73 0.00 0.00 179.01 179.78 3i69 h GLU 169 N -0.09 0.97 -0.53 1.92 5.08 -1.24 -2.71 114.58 117.98 3i69 h GLU 169 Ca 0.22 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3i69 h GLU 169 Cb 0.42 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3i69 h GLU 169 CO -0.51 0.64 0.10 1.25 -1.00 0.00 0.00 179.01 179.49 3i69 h LEU 170 N 1.00 0.78 0.00 1.33 6.46 -0.70 -3.43 115.31 120.74 3i69 h LEU 170 Ca 0.36 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3i69 h LEU 170 Cb 0.10 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 3i69 h LEU 170 CO -0.15 0.78 0.00 -0.67 -0.62 0.00 0.00 178.44 177.78 3i69 n ASP 171 N -4.26 0.00 -0.04 1.25 -0.08 -0.73 -5.06 116.55 107.62 3i69 n ASP 171 Ca 0.04 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.47 3i69 n ASP 171 Cb 0.24 0.00 0.81 0.00 2.34 0.00 0.00 41.12 44.51 3i69 n ASP 171 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3i69 n SER 172 N 0.00 0.16 0.11 1.67 3.41 -1.05 -3.40 113.62 114.51 3i69 n SER 172 Ca 0.00 -0.67 0.09 0.00 -0.26 0.00 0.00 58.87 58.03 3i69 n SER 172 Cb 0.00 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 63.85 3i69 n SER 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3i69 h SER 173 N 0.22 0.00 0.21 4.04 4.64 -1.90 -3.39 113.55 117.37 3i69 h SER 173 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3i69 h SER 173 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3i69 h SER 173 CO 0.00 0.15 -0.07 -0.07 -0.87 0.00 0.00 176.83 175.97 3i69 h LEU 174 N 0.00 0.00 0.00 5.97 3.38 -1.90 -0.80 115.31 121.96 3i69 h LEU 174 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i69 h LEU 174 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3i69 h LEU 174 CO 0.01 0.07 -0.45 0.00 0.09 0.00 0.00 178.44 178.16 3i69 n ILE 175 N -3.70 0.35 0.21 1.22 3.06 -1.26 -4.44 119.36 114.81 3i69 n ILE 175 Ca -0.02 -0.24 0.06 0.00 -2.50 0.00 0.00 62.75 60.05 3i69 n ILE 175 Cb 0.17 -0.20 0.52 0.00 0.54 0.00 0.00 39.64 40.67 3i69 n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3i69 h SER 176 N 0.00 0.04 -0.35 9.51 4.64 -1.39 0.25 113.55 126.25 3i69 h SER 176 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3i69 h SER 176 Cb 0.71 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3i69 h SER 176 CO 0.00 0.16 0.00 -0.24 -0.87 0.00 0.00 176.83 175.88 3i69 n SER 177 N -4.37 2.61 -3.39 4.97 2.88 -1.26 -4.49 113.62 110.56 3i69 n SER 177 Ca -0.02 -2.19 -0.26 0.00 -1.33 0.00 0.00 58.87 55.06 3i69 n SER 177 Cb 0.20 -0.39 -0.08 0.00 -0.75 0.00 0.00 64.21 63.19 3i69 n SER 177 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3i69 n PHE 178 N 0.50 2.52 -0.32 0.66 3.72 0.89 -4.98 117.46 120.45 3i69 n PHE 178 Ca 0.13 -4.00 0.12 0.00 -0.05 0.00 0.00 57.45 53.65 3i69 n PHE 178 Cb 0.49 -0.49 0.29 0.00 -0.94 0.00 0.00 39.48 38.83 3i69 n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3i69 h PRO 179 N 4.23 0.55 -0.45 -1.08 0.13 -1.79 -2.27 132.00 131.32 3i69 h PRO 179 Ca 0.17 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.12 3i69 h PRO 179 Cb 0.73 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 3i69 h PRO 179 CO 0.73 0.37 -0.27 -0.07 -0.23 0.00 0.00 178.00 178.52 3i69 h LEU 180 N 0.57 1.02 -0.23 1.56 3.38 -1.94 -1.99 115.31 117.69 3i69 h LEU 180 Ca 0.54 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3i69 h LEU 180 Cb 0.91 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3i69 h LEU 180 CO -0.44 1.22 0.06 -0.07 0.09 0.00 0.00 178.44 179.31 3i69 h LEU 181 N 0.83 0.04 -1.06 1.67 3.38 -1.80 0.07 115.31 118.45 3i69 h LEU 181 Ca 0.09 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3i69 h LEU 181 Cb 0.86 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 3i69 h LEU 181 CO 0.08 0.06 0.62 0.11 0.09 0.00 0.00 178.44 179.40 3i69 h LYS 182 N 0.16 1.01 -0.27 1.13 1.57 -1.28 0.84 116.57 119.73 3i69 h LYS 182 Ca 0.10 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3i69 h LYS 182 Cb 0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3i69 h LYS 182 CO -0.13 0.67 -0.10 0.00 -0.57 0.00 0.00 179.45 179.32 3i69 h ALA 183 N 1.51 0.37 -0.95 3.86 0.00 -0.85 -2.41 119.26 120.80 3i69 h ALA 183 Ca 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3i69 h ALA 183 Cb 0.33 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3i69 h ALA 183 CO -0.20 0.22 0.57 1.25 0.00 0.00 0.00 179.25 181.08 3i69 h LEU 184 N 0.28 1.14 -1.24 0.00 5.85 -0.09 -1.71 115.31 119.54 3i69 h LEU 184 Ca 0.06 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3i69 h LEU 184 Cb 0.59 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3i69 h LEU 184 CO 0.03 0.88 0.46 0.50 -0.34 0.00 0.00 178.44 179.98 3i69 h LYS 185 N 1.31 0.97 -0.05 1.25 3.64 -0.71 -2.05 116.57 120.93 3i69 h LYS 185 Ca 0.34 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 3i69 h LYS 185 Cb -0.05 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3i69 h LYS 185 CO -0.06 0.66 -0.18 1.15 -2.27 0.00 0.00 179.45 178.75 3i69 h THR 186 N 1.00 1.45 0.29 1.00 2.02 -0.86 -2.36 112.91 115.45 3i69 h THR 186 Ca 0.27 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 3i69 h THR 186 Cb -0.08 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 3i69 h THR 186 CO -0.05 0.45 -0.14 0.03 0.37 0.00 0.00 175.52 176.17 3i69 h ARG 187 N -0.32 -0.37 -0.86 6.66 3.08 -1.23 -2.40 114.38 118.94 3i69 h ARG 187 Ca -0.01 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i69 h ARG 187 Cb 0.82 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 3i69 h ARG 187 CO 0.04 -0.24 0.53 0.82 -1.07 0.00 0.00 179.97 180.04 3i69 h ILE 188 N -0.39 1.24 -0.17 2.04 1.08 -1.48 -1.06 117.51 118.75 3i69 h ILE 188 Ca -0.04 -0.50 0.05 0.00 -0.39 0.00 0.00 64.86 63.98 3i69 h ILE 188 Cb 0.30 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 3i69 h ILE 188 CO 0.06 0.24 0.13 0.28 -0.69 0.00 0.00 178.15 178.18 3i69 h SER 189 N 1.18 0.00 0.49 1.72 0.02 -1.28 -2.28 113.55 113.40 3i69 h SER 189 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3i69 h SER 189 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3i69 h SER 189 CO -0.06 0.00 -0.58 0.59 -1.14 0.00 0.00 176.83 175.64 3i69 n ASN 190 N -4.33 0.56 -4.72 3.07 3.02 -0.45 -3.15 115.26 109.26 3i69 n ASN 190 Ca 0.01 -0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 3i69 n ASN 190 Cb 0.27 0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 3i69 n ASN 190 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i69 n LEU 191 N -1.59 4.01 -0.26 3.41 4.77 -0.86 -4.75 117.00 121.73 3i69 n LEU 191 Ca 0.05 1.10 0.06 0.00 -0.03 0.00 0.00 56.01 57.19 3i69 n LEU 191 Cb 0.35 -1.56 0.18 0.00 -2.33 0.00 0.00 43.42 40.06 3i69 n LEU 191 CO 0.36 0.09 0.88 -0.65 -1.33 0.00 0.00 177.39 176.74 3i69 h PRO 192 N 5.77 0.17 -0.35 3.23 0.11 -1.89 0.18 132.00 139.22 3i69 h PRO 192 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3i69 h PRO 192 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3i69 h PRO 192 CO 0.88 0.11 0.17 1.79 -0.21 0.00 0.00 178.00 180.73 3i69 h THR 193 N 0.17 1.16 -0.06 -1.15 1.35 -1.87 -1.80 112.91 110.72 3i69 h THR 193 Ca 0.43 -0.46 -0.15 0.00 -0.55 0.00 0.00 66.41 65.67 3i69 h THR 193 Cb 0.77 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 3i69 h THR 193 CO -0.61 0.17 -0.64 0.58 -0.25 0.00 0.00 175.52 174.77 3i69 h VAL 194 N 0.42 1.40 -0.54 6.82 2.07 -1.52 -2.76 116.25 122.14 3i69 h VAL 194 Ca 0.12 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 3i69 h VAL 194 Cb 0.12 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3i69 h VAL 194 CO -0.02 0.61 0.28 0.50 0.02 0.00 0.00 177.57 178.97 3i69 h LYS 195 N 0.17 0.77 -0.35 1.57 3.64 -0.59 -0.58 116.57 121.19 3i69 h LYS 195 Ca -0.01 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3i69 h LYS 195 Cb 1.17 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 3i69 h LYS 195 CO 0.10 0.61 0.15 -0.22 -2.27 0.00 0.00 179.45 177.82 3i69 h LYS 196 N 0.73 0.49 0.01 1.90 3.64 -1.16 -2.32 116.57 119.86 3i69 h LYS 196 Ca 0.19 -0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.30 3i69 h LYS 196 Cb 0.08 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3i69 h LYS 196 CO -0.03 0.40 -1.02 0.35 -2.27 0.00 0.00 179.45 176.88 3i69 h PHE 197 N 0.49 0.06 0.00 1.91 3.57 -1.17 -3.24 116.94 118.56 3i69 h PHE 197 Ca 0.12 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3i69 h PHE 197 Cb 0.08 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3i69 h PHE 197 CO 0.00 1.02 0.00 -0.07 -2.23 0.00 0.00 178.31 177.04 3i69 h LEU 198 N 0.01 0.00-10.19 0.59 3.38 -0.78 -3.41 115.31 104.90 3i69 h LEU 198 Ca -0.02 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.41 3i69 h LEU 198 Cb 1.78 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.68 3i69 h LEU 198 CO 0.14 0.00 0.38 -1.10 0.09 0.00 0.00 178.44 177.94 3i69 s GLN 199 N -3.26 2.09 0.46 1.13 -0.21 -0.90 -4.95 119.66 114.00 3i69 s GLN 199 Ca 0.07 1.71 -0.24 0.00 0.02 0.00 0.00 55.36 56.92 3i69 s GLN 199 Cb 0.07 -1.83 -0.09 0.00 1.00 0.00 0.00 33.01 32.16 3i69 s GLN 199 CO 0.63 -1.86 1.23 -2.30 -2.12 0.00 0.00 175.29 170.86 3i69 n PRO 200 N -2.84 1.74 -0.88 2.91 -0.02 -1.26 -3.20 135.00 131.44 3i69 n PRO 200 Ca 0.13 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3i69 n PRO 200 Cb 0.50 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3i69 n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i69 n GLY 201 N 0.89 0.58 3.97 -1.23 0.00 -1.26 -5.05 105.19 103.08 3i69 n GLY 201 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3i69 n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i69 s SER 202 N -2.04 4.09 0.00 1.61 1.04 -1.19 -4.96 113.70 112.24 3i69 s SER 202 Ca 0.00 -0.10 0.18 0.00 0.48 0.00 0.00 55.95 56.50 3i69 s SER 202 Cb 0.00 -0.23 0.97 0.00 0.10 0.00 0.00 66.02 66.86 3i69 s SER 202 CO 0.00 -2.05 1.49 -2.65 0.98 0.00 0.00 173.24 171.01 3i69 n PRO 203 N -3.08 0.40 -1.80 4.02 -0.02 -1.26 -4.79 135.00 128.47 3i69 n PRO 203 Ca 0.14 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3i69 n PRO 203 Cb 0.60 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.56 3i69 n PRO 203 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i69 s ARG 204 N -2.29 4.15 0.11 -0.52 3.52 -1.26 -4.97 118.95 117.69 3i69 s ARG 204 Ca 0.22 2.54 0.03 0.00 -0.13 0.00 0.00 55.73 58.39 3i69 s ARG 204 Cb 0.12 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 3i69 s ARG 204 CO 0.24 -0.65 0.12 0.15 -0.81 0.00 0.00 175.30 174.35 3i69 s LYS 205 N 0.29 2.97 0.93 5.12 -0.14 -1.26 -4.99 119.74 122.66 3i69 s LYS 205 Ca 0.68 -0.73 -0.12 0.00 -1.36 0.00 0.00 55.97 54.44 3i69 s LYS 205 Cb -0.47 -2.74 0.15 0.00 -1.68 0.00 0.00 37.83 33.08 3i69 s LYS 205 CO 0.40 0.54 1.10 -1.25 -0.76 0.00 0.00 175.35 175.38 3i69 s PRO 206 N -2.71 0.99 0.72 -1.68 0.04 -1.26 -4.87 135.00 126.23 3i69 s PRO 206 Ca 0.31 0.59 -0.16 0.00 0.04 0.00 0.00 61.00 61.77 3i69 s PRO 206 Cb -0.11 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.66 3i69 s PRO 206 CO 0.23 -2.37 1.26 -0.35 0.04 0.00 0.00 177.00 175.82 3i69 n PRO 207 N -3.93 0.73 -1.96 0.56 -0.04 -1.26 -4.45 135.00 124.65 3i69 n PRO 207 Ca 0.06 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.41 3i69 n PRO 207 Cb 0.57 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 3i69 n PRO 207 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3i69 s PRO 208 N -3.68 4.11 0.58 0.54 0.04 -1.26 -5.00 135.00 130.32 3i69 s PRO 208 Ca 0.79 2.18 0.05 0.00 0.04 0.00 0.00 61.00 64.07 3i69 s PRO 208 Cb -0.34 -4.03 0.10 0.00 0.04 0.00 0.00 34.50 30.28 3i69 s PRO 208 CO 0.44 -0.94 0.80 -0.40 0.04 0.00 0.00 177.00 176.94 3i69 n ASP 209 N 7.46 1.63 0.22 6.66 5.68 -1.26 -4.94 116.55 132.00 3i69 n ASP 209 Ca 0.18 -2.24 0.06 0.00 -0.50 0.00 0.00 54.79 52.29 3i69 n ASP 209 Cb 0.43 -0.46 0.50 0.00 -1.14 0.00 0.00 41.12 40.45 3i69 n ASP 209 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i69 h GLU 210 N 0.00 0.00 -0.15 0.11 4.39 -1.98 -0.38 114.58 116.57 3i69 h GLU 210 Ca -0.27 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.21 3i69 h GLU 210 Cb 1.12 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3i69 h GLU 210 CO 0.34 0.24 -0.78 0.82 -1.16 0.00 0.00 179.01 178.47 3i69 h ILE 211 N 0.00 1.28 0.10 3.13 5.03 -1.98 0.29 117.51 125.35 3i69 h ILE 211 Ca -0.00 -1.98 -0.00 0.00 -0.12 0.00 0.00 64.86 62.75 3i69 h ILE 211 Cb 0.48 1.99 0.00 0.00 -3.03 0.00 0.00 36.82 36.26 3i69 h ILE 211 CO 0.03 0.63 -0.05 0.22 -0.68 0.00 0.00 178.15 178.30 3i69 h TYR 212 N 0.53 -0.12 -0.58 1.37 5.03 -1.88 -0.40 116.97 120.92 3i69 h TYR 212 Ca -0.05 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.34 3i69 h TYR 212 Cb 1.41 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.70 3i69 h TYR 212 CO 0.09 0.05 0.39 0.28 -1.32 0.00 0.00 178.16 177.65 3i69 h VAL 213 N -0.27 0.92 0.04 1.81 2.07 -0.82 0.08 116.25 120.08 3i69 h VAL 213 Ca -0.01 -0.15 -0.30 0.00 0.82 0.00 0.00 66.70 67.06 3i69 h VAL 213 Cb 0.23 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3i69 h VAL 213 CO 0.02 0.08 -1.65 0.08 0.02 0.00 0.00 177.57 176.12 3i69 h ARG 214 N 0.43 0.09 -0.52 1.57 0.11 -0.93 -3.03 114.38 112.10 3i69 h ARG 214 Ca 0.26 -0.16 0.09 0.00 0.10 0.00 0.00 59.98 60.28 3i69 h ARG 214 Cb 0.48 0.06 -0.07 0.00 1.11 0.00 0.00 29.97 31.54 3i69 h ARG 214 CO -0.07 0.78 0.09 1.15 0.10 0.00 0.00 179.97 182.02 3i69 h THR 215 N 0.02 0.69 0.03 0.08 2.02 -0.17 0.46 112.91 116.04 3i69 h THR 215 Ca -0.27 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 3i69 h THR 215 Cb 1.99 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3i69 h THR 215 CO 0.10 0.04 -0.01 0.58 0.37 0.00 0.00 175.52 176.60 3i69 h VAL 216 N 0.22 1.14 -0.86 3.16 2.07 -1.12 -2.49 116.25 118.38 3i69 h VAL 216 Ca 0.26 -0.52 0.10 0.00 0.82 0.00 0.00 66.70 67.36 3i69 h VAL 216 Cb 0.37 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 3i69 h VAL 216 CO -0.35 0.13 0.50 1.88 0.02 0.00 0.00 177.57 179.75 3i69 h TYR 217 N -0.26 0.91 0.00 1.57 0.05 -1.37 -1.41 116.97 116.46 3i69 h TYR 217 Ca -0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3i69 h TYR 217 Cb 0.25 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 3i69 h TYR 217 CO 0.00 0.37 -0.05 -0.91 -1.05 0.00 0.00 178.16 176.51 3i69 h ASN 218 N 0.83 0.00 0.91 3.88 2.35 -0.74 -1.15 115.58 121.66 3i69 h ASN 218 Ca 0.42 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.97 3i69 h ASN 218 Cb 0.40 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 3i69 h ASN 218 CO -0.25 0.05 -0.96 0.40 -1.65 0.00 0.00 177.43 175.02 3i69 h ILE 219 N 0.00 1.66 0.00 2.81 2.04 -0.79 -2.76 117.51 120.47 3i69 h ILE 219 Ca -0.00 -3.20 0.00 0.00 1.00 0.00 0.00 64.86 62.66 3i69 h ILE 219 Cb 0.11 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3i69 h ILE 219 CO 0.01 0.92 -1.24 0.49 0.00 0.00 0.00 178.15 178.32 3i69 n PHE 220 N -3.43 0.23 -2.83 1.37 3.72 -1.16 -4.15 117.46 111.21 3i69 n PHE 220 Ca -0.01 0.07 -0.05 0.00 -0.05 0.00 0.00 57.45 57.41 3i69 n PHE 220 Cb 0.90 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3i69 n PHE 220 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3i69 s ARG 221 N -3.26 1.05 0.00 -1.08 3.52 -0.44 -5.13 118.95 113.61 3i69 s ARG 221 Ca 0.01 -1.04 0.27 0.00 -0.13 0.00 0.00 55.73 54.84 3i69 s ARG 221 Cb 0.14 -0.09 0.74 0.00 -1.56 0.00 0.00 34.95 34.18 3i69 s ARG 221 CO 0.83 -1.32 1.57 -0.35 -0.81 0.00 0.00 175.30 175.22