#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 2.50 -0.20 0.00 2.12 -1.26 -5.10 118.70 116.77 3i69 s GLU 3 Ca 0.00 -1.50 -0.29 0.00 0.36 0.00 0.00 54.97 53.54 3i69 s GLU 3 Cb 0.00 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 32.10 3i69 s GLU 3 CO 0.00 0.01 1.09 0.15 -0.54 0.00 0.00 175.26 175.97 3i69 s LYS 4 N -3.96 4.27 0.01 4.30 1.02 -1.26 -4.98 119.74 119.14 3i69 s LYS 4 Ca 0.41 1.44 -0.36 0.00 0.02 0.00 0.00 55.97 57.49 3i69 s LYS 4 Cb -0.03 -3.65 -0.14 0.00 -0.52 0.00 0.00 37.83 33.48 3i69 s LYS 4 CO 0.25 -0.61 1.62 -2.30 -0.92 0.00 0.00 175.35 173.39 3i69 n PRO 5 N 6.20 1.75 -3.60 -1.68 -0.02 -1.26 -4.69 135.00 131.69 3i69 n PRO 5 Ca 0.12 0.63 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 3i69 n PRO 5 Cb 0.46 -2.38 -0.11 0.00 -0.02 0.00 0.00 33.50 31.46 3i69 n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i69 s LYS 6 N 2.01 2.75 -0.23 -0.52 2.20 0.12 -2.41 119.74 123.65 3i69 s LYS 6 Ca 0.87 -1.21 -0.17 0.00 -0.36 0.00 0.00 55.97 55.10 3i69 s LYS 6 Cb -0.81 -3.74 -0.03 0.00 -1.51 0.00 0.00 37.83 31.73 3i69 s LYS 6 CO 0.48 -0.78 0.47 -0.51 -0.36 0.00 0.00 175.35 174.64 3i69 s LEU 7 N 1.51 4.10 -0.35 5.43 1.02 -0.63 -1.35 118.68 128.41 3i69 s LEU 7 Ca 0.02 0.53 -0.08 0.00 0.02 0.00 0.00 54.13 54.62 3i69 s LEU 7 Cb -0.20 -2.60 0.03 0.00 0.02 0.00 0.00 46.19 43.43 3i69 s LEU 7 CO 0.05 -0.19 0.13 -1.00 0.02 0.00 0.00 176.35 175.36 3i69 s HIS 8 N 1.86 3.24 0.36 0.29 3.76 -0.57 -1.25 115.29 122.99 3i69 s HIS 8 Ca 0.20 -1.26 -0.10 0.00 -0.15 0.00 0.00 55.06 53.75 3i69 s HIS 8 Cb -0.15 -2.32 0.04 0.00 1.11 0.00 0.00 32.58 31.26 3i69 s HIS 8 CO 0.09 -0.69 0.67 0.98 -0.85 0.00 0.00 174.74 174.93 3i69 n TYR 9 N 4.87 -2.04 -0.66 1.40 9.36 -1.25 -3.14 117.16 125.71 3i69 n TYR 9 Ca -0.12 -1.90 -0.30 0.00 3.32 0.00 0.00 57.90 58.89 3i69 n TYR 9 Cb 0.45 0.78 0.19 0.00 -0.63 0.00 0.00 39.34 40.13 3i69 n TYR 9 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 3i69 s PHE 10 N -2.70 1.55 -1.31 2.98 2.99 -1.26 -0.86 117.98 119.37 3i69 s PHE 10 Ca 0.19 1.63 -0.16 0.00 0.00 0.00 0.00 56.93 58.59 3i69 s PHE 10 Cb -0.04 -3.27 0.09 0.00 0.00 0.00 0.00 43.02 39.80 3i69 s PHE 10 CO 0.14 -3.10 1.79 -1.71 -0.00 0.00 0.00 175.22 172.33 3i69 n ASN 11 N -4.42 4.80 -3.05 1.36 5.15 -1.26 -4.74 115.26 113.10 3i69 n ASN 11 Ca 0.09 -2.93 0.03 0.00 -0.60 0.00 0.00 54.58 51.18 3i69 n ASN 11 Cb 0.53 -1.69 0.01 0.00 -0.53 0.00 0.00 39.78 38.10 3i69 n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i69 n GLY 12 N 4.77 0.19 0.01 8.20 0.00 -1.26 -5.01 105.19 112.09 3i69 n GLY 12 Ca 0.47 -0.95 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 3i69 n GLY 12 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i69 h ARG 13 N 0.00 -0.01 0.00 1.61 3.08 -1.87 -3.45 114.38 113.73 3i69 h ARG 13 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3i69 h ARG 13 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3i69 h ARG 13 CO 0.20 -0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.50 3i69 n GLY 14 N 0.50 1.58 0.80 0.04 0.00 -1.26 -2.28 105.19 104.58 3i69 n GLY 14 Ca -0.00 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 2.02 -0.00 1.61 1.74 -1.26 -3.96 116.66 130.81 3i69 n ARG 15 Ca 0.00 -1.57 0.09 0.00 -0.77 0.00 0.00 57.85 55.60 3i69 n ARG 15 Cb 0.00 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 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 0.78 0.82 0.08 5.56 1.56 -0.97 -4.59 117.12 120.36 3i69 n MET 16 Ca 0.16 -0.02 -0.08 0.00 -0.27 0.00 0.00 57.70 57.48 3i69 n MET 16 Cb 0.39 -1.39 0.01 0.00 2.15 0.00 0.00 33.22 34.38 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 0.20 0.00 2.12 4.57 -1.58 -1.71 114.58 118.18 3i69 h GLU 17 Ca 0.00 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 3i69 h GLU 17 Cb 0.49 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3i69 h GLU 17 CO 0.00 0.93 -0.03 0.66 -1.18 0.00 0.00 179.01 179.39 3i69 h SER 18 N 0.12 0.00 0.04 1.04 4.64 -1.85 0.53 113.55 118.06 3i69 h SER 18 Ca -0.04 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.09 3i69 h SER 18 Cb 1.46 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.56 3i69 h SER 18 CO 0.13 0.03 -0.76 0.74 -0.87 0.00 0.00 176.83 176.09 3i69 h THR 19 N 0.00 1.41 -0.93 2.95 2.02 -1.76 -2.30 112.91 114.30 3i69 h THR 19 Ca -0.00 -2.23 0.03 0.00 0.77 0.00 0.00 66.41 64.98 3i69 h THR 19 Cb 0.54 2.70 -0.05 0.00 -1.74 0.00 0.00 68.15 69.59 3i69 h THR 19 CO 0.00 0.65 0.62 0.03 0.37 0.00 0.00 175.52 177.19 3i69 h ARG 20 N -0.05 1.17 -0.08 6.66 3.08 -0.55 0.07 114.38 124.67 3i69 h ARG 20 Ca -0.11 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3i69 h ARG 20 Cb 1.49 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 3i69 h ARG 20 CO 0.15 0.78 -0.00 -1.49 -1.07 0.00 0.00 179.97 178.33 3i69 h TRP 21 N 1.21 0.17 -0.21 3.04 4.06 -0.97 -2.63 115.95 120.62 3i69 h TRP 21 Ca 0.36 -0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.23 3i69 h TRP 21 Cb -0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 3i69 h TRP 21 CO -0.00 0.42 -0.07 1.25 -3.56 0.00 0.00 178.44 176.48 3i69 h LEU 22 N -0.14 0.42 -0.63 -4.49 5.85 -1.22 -0.99 115.31 114.11 3i69 h LEU 22 Ca 0.02 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3i69 h LEU 22 Cb 0.36 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3i69 h LEU 22 CO 0.00 0.70 0.36 -0.07 -0.34 0.00 0.00 178.44 179.09 3i69 h LEU 23 N 0.12 0.55 -0.50 2.25 3.38 -1.07 -2.35 115.31 117.69 3i69 h LEU 23 Ca 0.05 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3i69 h LEU 23 Cb 0.53 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3i69 h LEU 23 CO 0.02 0.37 -0.69 0.00 0.09 0.00 0.00 178.44 178.23 3i69 h ALA 24 N 1.31 0.77 0.00 1.53 0.00 -1.44 -2.30 119.26 119.14 3i69 h ALA 24 Ca 0.27 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3i69 h ALA 24 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i69 h ALA 24 CO -0.15 0.86 -0.20 0.00 0.00 0.00 0.00 179.25 179.76 3i69 h ALA 25 N 1.31 1.30 -0.50 0.00 0.00 -0.89 -2.90 119.26 117.59 3i69 h ALA 25 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i69 h ALA 25 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3i69 h ALA 25 CO 0.09 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3i69 n ALA 26 N -2.34 2.42 -0.87 0.00 0.00 -0.91 -4.80 120.51 114.01 3i69 n ALA 26 Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3i69 n ALA 26 Cb 0.31 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.50 0.91 3.60 0.00 0.00 -1.10 -5.01 105.19 105.09 3i69 n GLY 27 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.60 4.77 0.69 1.61 1.01 -0.88 -5.02 120.40 118.99 3i69 s VAL 28 Ca 0.00 1.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.87 3i69 s VAL 28 Cb 0.00 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.23 3i69 s VAL 28 CO 0.00 -0.32 1.14 -1.61 0.00 0.00 0.00 175.10 174.31 3i69 s GLU 29 N 3.00 2.51 0.04 2.72 2.02 -1.26 -4.38 118.70 123.35 3i69 s GLU 29 Ca 0.32 1.51 -0.22 0.00 0.02 0.00 0.00 54.97 56.59 3i69 s GLU 29 Cb -0.14 -1.90 0.05 0.00 0.10 0.00 0.00 34.13 32.24 3i69 s GLU 29 CO 0.14 -1.50 0.51 -0.59 0.02 0.00 0.00 175.26 173.85 3i69 s PHE 30 N -2.25 -0.41 0.50 1.61 -0.12 -1.26 -4.21 117.98 111.83 3i69 s PHE 30 Ca 0.69 0.48 -0.02 0.00 -0.05 0.00 0.00 56.93 58.04 3i69 s PHE 30 Cb -0.23 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.48 3i69 s PHE 30 CO 0.44 -0.62 0.75 -1.21 -0.05 0.00 0.00 175.22 174.52 3i69 s GLU 31 N -2.32 3.02 0.02 1.99 2.02 -1.01 -5.00 118.70 117.42 3i69 s GLU 31 Ca -0.06 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.63 3i69 s GLU 31 Cb -0.01 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 3i69 s GLU 31 CO -0.01 -0.41 -0.10 -1.21 0.02 0.00 0.00 175.26 173.56 3i69 s GLU 32 N -4.70 0.68 -0.35 1.61 2.02 -1.26 -1.61 118.70 115.09 3i69 s GLU 32 Ca 0.50 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.94 3i69 s GLU 32 Cb -0.10 -0.61 0.11 0.00 0.10 0.00 0.00 34.13 33.63 3i69 s GLU 32 CO 0.40 0.15 0.12 0.21 0.02 0.00 0.00 175.26 176.16 3i69 s LYS 33 N -0.89 1.07 0.72 1.61 2.20 -0.38 -4.93 119.74 119.14 3i69 s LYS 33 Ca -0.01 -1.52 -0.12 0.00 -0.36 0.00 0.00 55.97 53.96 3i69 s LYS 33 Cb -0.06 -2.44 0.03 0.00 -1.51 0.00 0.00 37.83 33.84 3i69 s LYS 33 CO 0.00 -1.01 1.08 -0.06 -0.36 0.00 0.00 175.35 175.01 3i69 s PHE 34 N 1.12 2.76 -0.66 4.03 0.08 -1.26 -3.75 117.98 120.30 3i69 s PHE 34 Ca 0.12 1.52 -0.08 0.00 0.12 0.00 0.00 56.93 58.61 3i69 s PHE 34 Cb -0.19 -3.02 0.17 0.00 -0.57 0.00 0.00 43.02 39.40 3i69 s PHE 34 CO -0.15 -1.57 0.53 0.42 -0.10 0.00 0.00 175.22 174.35 3i69 s ILE 35 N -2.79 4.45 0.24 0.64 1.01 -0.04 -4.91 121.20 119.80 3i69 s ILE 35 Ca 0.62 -2.56 0.04 0.00 0.00 0.00 0.00 60.65 58.74 3i69 s ILE 35 Cb -0.17 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 3i69 s ILE 35 CO 0.51 -0.91 1.57 0.11 0.00 0.00 0.00 174.94 176.23 3i69 h LYS 36 N 7.56 0.27 -4.67 2.79 1.79 -1.95 -3.43 116.57 118.94 3i69 h LYS 36 Ca -0.01 -0.18 -0.27 0.00 -2.18 0.00 0.00 60.65 58.01 3i69 h LYS 36 Cb 1.01 0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 31.53 3i69 h LYS 36 CO 0.76 0.77 -0.63 -1.54 -1.08 0.00 0.00 179.45 177.73 3i69 s SER 37 N -6.90 0.56 0.55 0.86 1.04 -1.26 -4.91 113.70 103.63 3i69 s SER 37 Ca -0.04 -1.34 0.32 0.00 0.48 0.00 0.00 55.95 55.36 3i69 s SER 37 Cb 0.12 0.28 1.52 0.00 0.10 0.00 0.00 66.02 68.05 3i69 s SER 37 CO 0.80 -0.77 2.06 0.00 0.98 0.00 0.00 173.24 176.31 3i69 h ALA 38 N 2.60 1.10 0.00 5.32 0.00 -1.82 -2.55 119.26 123.91 3i69 h ALA 38 Ca -0.37 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 3i69 h ALA 38 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3i69 h ALA 38 CO 0.57 0.09 -0.38 0.93 0.00 0.00 0.00 179.25 180.46 3i69 h GLU 39 N 0.00 0.00 0.07 0.00 3.07 -1.95 0.37 114.58 116.14 3i69 h GLU 39 Ca -0.00 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.58 3i69 h GLU 39 Cb 0.39 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3i69 h GLU 39 CO 0.01 0.38 -1.14 -0.44 -1.40 0.00 0.00 179.01 176.42 3i69 h ASP 40 N 0.00 0.77 -0.40 1.42 3.32 -1.90 -2.55 116.42 117.07 3i69 h ASP 40 Ca -0.00 -0.68 -0.04 0.00 0.02 0.00 0.00 57.03 56.33 3i69 h ASP 40 Cb 1.22 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3i69 h ASP 40 CO 0.05 1.49 0.09 0.25 -1.72 0.00 0.00 179.24 179.39 3i69 h LEU 41 N 0.27 0.62 -0.50 1.55 5.85 -1.30 -2.88 115.31 118.92 3i69 h LEU 41 Ca -0.15 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.38 3i69 h LEU 41 Cb 1.81 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.63 3i69 h LEU 41 CO 0.21 0.70 0.24 0.44 -0.34 0.00 0.00 178.44 179.69 3i69 h ASP 42 N 0.51 0.33 -0.56 1.25 3.32 -0.35 -2.08 116.42 118.84 3i69 h ASP 42 Ca 0.12 0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.32 3i69 h ASP 42 Cb 0.33 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 39.75 3i69 h ASP 42 CO 0.00 0.23 -0.28 0.50 -1.72 0.00 0.00 179.24 177.97 3i69 h LYS 43 N 0.46 -0.13 -0.48 3.56 1.63 -1.27 0.15 116.57 120.49 3i69 h LYS 43 Ca 0.23 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.97 3i69 h LYS 43 Cb 0.16 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 3i69 h LYS 43 CO -0.17 -0.09 0.06 -0.07 -3.45 0.00 0.00 179.45 175.73 3i69 h LEU 44 N -0.14 0.77 -0.06 5.20 3.38 -1.28 0.10 115.31 123.28 3i69 h LEU 44 Ca 0.24 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i69 h LEU 44 Cb 0.53 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3i69 h LEU 44 CO -0.64 0.84 0.03 0.03 0.09 0.00 0.00 178.44 178.78 3i69 h ARG 45 N 0.66 0.09 -0.33 1.13 3.08 -0.81 -0.94 114.38 117.26 3i69 h ARG 45 Ca 0.14 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3i69 h ARG 45 Cb 0.41 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3i69 h ARG 45 CO 0.01 0.20 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.15 3i69 h ASN 46 N -0.04 0.51 0.25 7.04 2.35 -0.65 -1.51 115.58 123.52 3i69 h ASN 46 Ca 0.02 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3i69 h ASN 46 Cb 0.14 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3i69 h ASN 46 CO -0.00 0.62 0.00 0.47 -1.65 0.00 0.00 177.43 176.87 3i69 n ASP 47 N -4.24 0.00 -2.80 5.81 9.92 0.01 -4.89 116.55 120.36 3i69 n ASP 47 Ca 0.01 -0.03 -0.19 0.00 -0.53 0.00 0.00 54.79 54.05 3i69 n ASP 47 Cb 0.28 -0.24 0.05 0.00 -0.64 0.00 0.00 41.12 40.57 3i69 n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i69 n GLY 48 N 0.04 -0.28 0.13 0.44 0.00 -0.57 -4.94 105.19 100.00 3i69 n GLY 48 Ca 0.08 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 3i69 n GLY 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i69 h TYR 49 N -1.77 0.47 -3.62 1.61 -1.99 -1.37 -3.45 116.97 106.86 3i69 h TYR 49 Ca -0.45 -0.34 -0.67 0.00 2.00 0.00 0.00 58.73 59.27 3i69 h TYR 49 Cb 1.30 -0.02 -0.17 0.00 2.00 0.00 0.00 36.73 39.84 3i69 h TYR 49 CO 0.42 1.56 -0.24 -0.51 -0.00 0.00 0.00 178.16 179.38 3i69 s LEU 50 N -6.96 4.55 0.22 3.88 1.43 -1.25 -4.92 118.68 115.63 3i69 s LEU 50 Ca -0.15 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 3i69 s LEU 50 Cb 0.07 -2.38 0.25 0.00 0.03 0.00 0.00 46.19 44.15 3i69 s LEU 50 CO 0.82 -0.42 1.84 -0.03 0.23 0.00 0.00 176.35 178.79 3i69 h MET 51 N 8.54 0.86 -0.47 1.70 1.85 -1.85 -2.16 114.93 123.40 3i69 h MET 51 Ca -0.29 -0.05 -0.21 0.00 -0.61 0.00 0.00 59.70 58.55 3i69 h MET 51 Cb 1.13 -0.19 -0.12 0.00 0.43 0.00 0.00 31.60 32.85 3i69 h MET 51 CO 0.73 0.57 0.08 1.19 -0.40 0.00 0.00 176.91 179.07 3i69 n PHE 52 N -4.66 1.47 -1.46 1.39 3.72 -1.26 -4.93 117.46 111.73 3i69 n PHE 52 Ca 0.09 -1.49 -0.16 0.00 -0.05 0.00 0.00 57.45 55.84 3i69 n PHE 52 Cb 0.13 -0.55 -0.07 0.00 -0.94 0.00 0.00 39.48 38.05 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 -0.96 -1.31 -4.18 -1.08 1.13 -0.81 -4.98 117.38 105.18 3i69 n GLN 53 Ca 0.36 1.05 -0.17 0.00 -1.94 0.00 0.00 57.00 56.30 3i69 n GLN 53 Cb 1.14 -5.32 -0.11 0.00 0.11 0.00 0.00 30.24 26.06 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 -3.31 0.86 0.28 -1.09 -0.21 -1.26 -4.95 119.66 109.98 3i69 s GLN 54 Ca 0.00 -1.06 0.06 0.00 0.02 0.00 0.00 55.36 54.38 3i69 s GLN 54 Cb 0.00 -0.76 -0.02 0.00 1.00 0.00 0.00 33.01 33.22 3i69 s GLN 54 CO 0.00 0.15 0.36 0.14 -2.12 0.00 0.00 175.29 173.83 3i69 s VAL 55 N -1.74 4.60 0.60 1.09 -7.23 -1.26 -4.67 120.40 111.79 3i69 s VAL 55 Ca 0.02 -1.09 -0.19 0.00 -1.81 0.00 0.00 61.98 58.91 3i69 s VAL 55 Cb -0.07 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 3i69 s VAL 55 CO 0.02 -0.26 1.25 -2.16 -0.31 0.00 0.00 175.10 173.64 3i69 s PRO 56 N -4.02 2.91 -0.08 4.82 0.04 -1.26 -4.99 135.00 132.42 3i69 s PRO 56 Ca 0.38 1.96 -0.07 0.00 0.04 0.00 0.00 61.00 63.31 3i69 s PRO 56 Cb -0.09 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.50 3i69 s PRO 56 CO 0.29 -1.29 0.21 1.41 0.04 0.00 0.00 177.00 177.66 3i69 s MET 57 N -3.25 0.22 -0.07 4.56 1.75 -1.19 -3.76 119.30 117.57 3i69 s MET 57 Ca 0.77 0.33 0.03 0.00 -1.25 0.00 0.00 55.69 55.58 3i69 s MET 57 Cb -0.34 0.06 0.01 0.00 2.84 0.00 0.00 34.83 37.39 3i69 s MET 57 CO 0.37 -0.06 -0.16 0.08 -0.65 0.00 0.00 175.02 174.60 3i69 s VAL 58 N 0.38 1.43 -0.13 10.11 1.01 -0.92 -1.51 120.40 130.77 3i69 s VAL 58 Ca -0.02 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 3i69 s VAL 58 Cb -0.04 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3i69 s VAL 58 CO -0.02 0.42 0.56 -1.61 0.00 0.00 0.00 175.10 174.45 3i69 s GLU 59 N 0.41 4.33 -0.30 2.72 2.02 -0.45 -2.53 118.70 124.89 3i69 s GLU 59 Ca -0.13 0.58 -0.13 0.00 0.02 0.00 0.00 54.97 55.31 3i69 s GLU 59 Cb -0.15 -3.48 0.15 0.00 0.10 0.00 0.00 34.13 30.76 3i69 s GLU 59 CO 0.05 0.04 0.87 -1.50 0.02 0.00 0.00 175.26 174.73 3i69 s ILE 60 N 0.99 -0.65 -1.27 -1.63 2.07 -1.22 -0.71 121.20 118.79 3i69 s ILE 60 Ca 0.29 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.49 3i69 s ILE 60 Cb -0.16 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.44 3i69 s ILE 60 CO 0.12 0.00 1.08 0.47 -1.91 0.00 0.00 174.94 174.70 3i69 n ASP 61 N 5.09 -4.11 0.00 4.50 8.00 -1.26 -2.47 116.55 126.30 3i69 n ASP 61 Ca -0.10 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.82 3i69 n ASP 61 Cb 0.52 -5.05 0.00 0.00 -0.02 0.00 0.00 41.12 36.57 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 -1.55 0.48 3.99 0.44 0.00 -1.26 -5.00 105.19 102.28 3i69 n GLY 62 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.56 3.14 -0.55 1.61 -1.94 -1.03 -5.07 119.30 114.90 3i69 s MET 63 Ca 0.00 -0.96 0.06 0.00 -1.71 0.00 0.00 55.69 53.08 3i69 s MET 63 Cb 0.00 -2.81 0.23 0.00 2.01 0.00 0.00 34.83 34.26 3i69 s MET 63 CO 0.00 0.07 0.59 1.63 -0.01 0.00 0.00 175.02 177.30 3i69 n LYS 64 N -1.65 1.60 -2.64 2.03 5.02 -1.26 -3.44 118.16 117.82 3i69 n LYS 64 Ca -0.01 -4.04 -0.43 0.00 -2.02 0.00 0.00 58.31 51.82 3i69 n LYS 64 Cb 0.58 -1.88 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 3i69 n LYS 64 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i69 s LEU 65 N -1.63 4.09 0.57 -0.35 1.43 -1.05 -4.74 118.68 117.00 3i69 s LEU 65 Ca 0.35 1.38 0.09 0.00 -1.03 0.00 0.00 54.13 54.92 3i69 s LEU 65 Cb 0.11 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.87 3i69 s LEU 65 CO -0.09 -0.70 0.70 0.68 0.23 0.00 0.00 176.35 177.18 3i69 s VAL 66 N 3.27 1.99 -0.02 -1.59 -7.23 -1.26 -2.17 120.40 113.38 3i69 s VAL 66 Ca 0.45 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.48 3i69 s VAL 66 Cb -0.15 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.68 3i69 s VAL 66 CO 0.08 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 174.90 3i69 n GLN 67 N -2.14 -1.17 -0.26 4.82 1.13 -1.25 -4.53 117.38 113.99 3i69 n GLN 67 Ca 0.11 1.25 0.00 0.00 -1.94 0.00 0.00 57.00 56.42 3i69 n GLN 67 Cb 0.62 -1.77 0.04 0.00 0.11 0.00 0.00 30.24 29.25 3i69 n GLN 67 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3i69 n THR 68 N 0.42 -0.35 0.06 5.09 -1.04 -1.26 -1.22 114.28 115.98 3i69 n THR 68 Ca -0.06 1.60 0.01 0.00 -2.04 0.00 0.00 64.05 63.56 3i69 n THR 68 Cb 0.09 -2.13 0.33 0.00 -1.82 0.00 0.00 70.33 66.79 3i69 n THR 68 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3i69 h ARG 69 N 0.00 0.38 -0.13 -2.82 3.08 -1.96 -0.10 114.38 112.83 3i69 h ARG 69 Ca 0.25 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 3i69 h ARG 69 Cb 0.43 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3i69 h ARG 69 CO -0.69 0.48 -0.30 0.00 -1.07 0.00 0.00 179.97 178.40 3i69 h ALA 70 N 1.55 0.21 -0.39 0.04 0.00 -1.42 -1.20 119.26 118.04 3i69 h ALA 70 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i69 h ALA 70 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3i69 h ALA 70 CO 0.02 0.23 0.26 0.82 0.00 0.00 0.00 179.25 180.58 3i69 h ILE 71 N 0.01 1.10 0.08 0.00 2.04 -1.17 -1.39 117.51 118.19 3i69 h ILE 71 Ca -0.00 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3i69 h ILE 71 Cb 0.90 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3i69 h ILE 71 CO 0.06 0.10 -0.04 -0.07 0.00 0.00 0.00 178.15 178.20 3i69 h LEU 72 N 0.53 -0.09 -0.77 1.44 3.38 -1.00 -2.51 115.31 116.29 3i69 h LEU 72 Ca 0.14 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3i69 h LEU 72 Cb -0.06 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3i69 h LEU 72 CO -0.03 0.03 0.45 0.78 0.09 0.00 0.00 178.44 179.77 3i69 h ASN 73 N -0.22 0.69 -0.52 -0.43 2.35 -1.10 0.15 115.58 116.50 3i69 h ASN 73 Ca -0.01 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3i69 h ASN 73 Cb 0.18 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3i69 h ASN 73 CO 0.02 0.44 0.13 0.22 -1.65 0.00 0.00 177.43 176.59 3i69 h TYR 74 N 0.82 0.92 -0.10 1.19 3.20 -1.19 -1.46 116.97 120.35 3i69 h TYR 74 Ca 0.35 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 3i69 h TYR 74 Cb 0.21 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3i69 h TYR 74 CO -0.06 0.77 -0.23 0.82 -1.64 0.00 0.00 178.16 177.83 3i69 h ILE 75 N 0.85 1.39 -0.69 1.81 2.04 -0.93 -2.27 117.51 119.71 3i69 h ILE 75 Ca 0.18 -1.53 0.06 0.00 1.00 0.00 0.00 64.86 64.57 3i69 h ILE 75 Cb 0.32 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 3i69 h ILE 75 CO 0.00 0.44 0.39 0.00 0.00 0.00 0.00 178.15 178.99 3i69 h ALA 76 N 0.50 0.94 -0.28 1.87 0.00 -0.58 -1.70 119.26 120.02 3i69 h ALA 76 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3i69 h ALA 76 Cb 0.82 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i69 h ALA 76 CO 0.05 0.08 -0.36 1.03 0.00 0.00 0.00 179.25 180.05 3i69 h SER 77 N 0.73 0.80 0.27 0.00 0.87 -1.34 0.38 113.55 115.27 3i69 h SER 77 Ca 0.31 -0.50 -0.12 0.00 -1.23 0.00 0.00 61.79 60.25 3i69 h SER 77 Cb 0.18 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3i69 h SER 77 CO -0.18 1.14 -0.48 0.50 -0.53 0.00 0.00 176.83 177.28 3i69 h LYS 78 N 0.48 0.25 -1.03 2.24 3.64 -1.07 -2.99 116.57 118.08 3i69 h LYS 78 Ca 0.03 -0.14 -0.64 0.00 -1.27 0.00 0.00 60.65 58.64 3i69 h LYS 78 Cb 0.95 0.01 -0.34 0.00 -0.41 0.00 0.00 32.23 32.43 3i69 h LYS 78 CO 0.09 0.68 0.22 0.66 -2.27 0.00 0.00 179.45 178.82 3i69 n TYR 79 N -3.97 3.06 -3.54 1.91 4.01 -0.67 -4.96 117.16 113.00 3i69 n TYR 79 Ca -0.02 -2.70 -0.17 0.00 -0.16 0.00 0.00 57.90 54.85 3i69 n TYR 79 Cb 0.53 -0.97 -0.03 0.00 -0.31 0.00 0.00 39.34 38.56 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 -0.79 -0.32 -0.06 7.72 3.02 -1.11 -4.76 115.26 118.96 3i69 n ASN 80 Ca 0.54 -0.62 0.08 0.00 -0.03 0.00 0.00 54.58 54.55 3i69 n ASN 80 Cb 0.73 -0.76 0.11 0.00 -0.61 0.00 0.00 39.78 39.25 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 -2.79 2.24 -1.79 3.41 4.77 0.13 -4.69 117.00 118.28 3i69 n LEU 81 Ca -0.12 -2.84 -0.15 0.00 -0.03 0.00 0.00 56.01 52.86 3i69 n LEU 81 Cb 0.31 -0.34 0.19 0.00 -2.33 0.00 0.00 43.42 41.25 3i69 n LEU 81 CO 0.39 0.66 1.04 0.00 -1.33 0.00 0.00 177.39 178.15 3i69 n TYR 82 N -1.24 2.25 -0.63 -1.77 4.19 -0.91 -1.42 117.16 117.63 3i69 n TYR 82 Ca 0.13 -1.73 0.08 0.00 3.31 0.00 0.00 57.90 59.69 3i69 n TYR 82 Cb 0.57 -0.76 -0.03 0.00 0.49 0.00 0.00 39.34 39.62 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 -1.11 -2.03 0.05 2.98 0.00 -1.26 -4.47 105.19 99.35 3i69 n GLY 83 Ca 0.49 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.02 1.09 -4.58 1.61 2.85 -1.26 -4.94 118.16 109.91 3i69 n LYS 84 Ca -0.01 -0.06 -0.27 0.00 -1.05 0.00 0.00 58.31 56.92 3i69 n LYS 84 Cb 0.29 -1.41 -0.09 0.00 -0.65 0.00 0.00 35.03 33.17 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 -4.62 3.23 0.26 -5.58 1.47 -1.26 -5.06 116.67 105.11 3i69 s ASP 85 Ca -0.07 -1.55 -0.04 0.00 1.18 0.00 0.00 52.55 52.07 3i69 s ASP 85 Cb 0.07 0.23 0.32 0.00 -0.34 0.00 0.00 42.92 43.20 3i69 s ASP 85 CO 0.67 -0.76 1.85 -0.29 0.68 0.00 0.00 175.17 177.32 3i69 h ILE 86 N 1.74 1.24 -0.16 2.11 2.10 -1.96 -1.76 117.51 120.82 3i69 h ILE 86 Ca -0.40 -0.71 -0.02 0.00 1.08 0.00 0.00 64.86 64.81 3i69 h ILE 86 Cb 1.27 0.36 -0.01 0.00 -1.09 0.00 0.00 36.82 37.35 3i69 h ILE 86 CO 0.68 0.29 0.02 0.11 -1.08 0.00 0.00 178.15 178.18 3i69 h LYS 87 N 1.02 0.27 -0.70 2.19 1.57 -1.99 0.88 116.57 119.82 3i69 h LYS 87 Ca 0.24 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 3i69 h LYS 87 Cb 0.16 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3i69 h LYS 87 CO -0.03 0.45 0.46 0.93 -0.57 0.00 0.00 179.45 180.70 3i69 h GLU 88 N 0.05 0.65 -0.50 3.15 5.08 -1.93 -0.51 114.58 120.57 3i69 h GLU 88 Ca 0.05 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3i69 h GLU 88 Cb 0.31 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3i69 h GLU 88 CO 0.00 0.43 -0.16 0.00 -1.00 0.00 0.00 179.01 178.29 3i69 h ARG 89 N 0.67 0.97 -0.31 2.33 3.08 -0.92 -1.09 114.38 119.13 3i69 h ARG 89 Ca 0.31 -0.38 0.06 0.00 0.07 0.00 0.00 59.98 60.04 3i69 h ARG 89 Cb 0.34 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 3i69 h ARG 89 CO -0.10 1.05 -0.08 0.00 -1.07 0.00 0.00 179.97 179.77 3i69 h ALA 90 N 0.96 0.19 -0.28 0.04 0.00 0.70 -0.63 119.26 120.24 3i69 h ALA 90 Ca 0.12 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 3i69 h ALA 90 Cb 0.72 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3i69 h ALA 90 CO 0.05 -0.47 -0.36 -0.07 0.00 0.00 0.00 179.25 178.41 3i69 h LEU 91 N -0.01 0.80 -0.32 0.00 3.38 -1.17 -1.75 115.31 116.24 3i69 h LEU 91 Ca 0.15 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.69 3i69 h LEU 91 Cb 0.23 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3i69 h LEU 91 CO -0.32 1.14 -0.11 0.40 0.09 0.00 0.00 178.44 179.64 3i69 h ILE 92 N 0.48 0.62 -0.47 1.22 2.04 -0.97 -0.76 117.51 119.66 3i69 h ILE 92 Ca 0.03 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.78 3i69 h ILE 92 Cb 0.94 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3i69 h ILE 92 CO 0.08 0.00 -0.15 0.44 0.00 0.00 0.00 178.15 178.52 3i69 h ASP 93 N -0.04 0.91 -0.10 1.72 3.32 -1.03 0.19 116.42 121.38 3i69 h ASP 93 Ca 0.16 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.91 3i69 h ASP 93 Cb 0.28 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3i69 h ASP 93 CO -0.35 1.05 0.02 -0.03 -1.72 0.00 0.00 179.24 178.22 3i69 h MET 94 N 0.80 0.07 0.34 3.56 1.85 -1.15 -2.18 114.93 118.21 3i69 h MET 94 Ca 0.12 -0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.19 3i69 h MET 94 Cb 0.69 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.70 3i69 h MET 94 CO 0.05 0.04 -0.16 1.88 -0.40 0.00 0.00 176.91 178.32 3i69 h TYR 95 N 0.07 -0.42 0.00 1.39 0.05 -0.81 -2.86 116.97 114.39 3i69 h TYR 95 Ca 0.04 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 3i69 h TYR 95 Cb 0.03 0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 3i69 h TYR 95 CO -0.11 -0.12 -0.17 -0.84 -1.05 0.00 0.00 178.16 175.87 3i69 h ILE 96 N -0.72 1.10 -0.02 -2.88 3.07 -0.68 -1.62 117.51 115.76 3i69 h ILE 96 Ca -0.05 -0.60 -0.14 0.00 1.55 0.00 0.00 64.86 65.63 3i69 h ILE 96 Cb 0.49 1.32 -0.02 0.00 -0.27 0.00 0.00 36.82 38.35 3i69 h ILE 96 CO 0.08 0.17 -0.64 -0.33 -1.05 0.00 0.00 178.15 176.38 3i69 h GLU 97 N 0.00 0.08 0.08 0.16 4.39 -1.40 0.29 114.58 118.18 3i69 h GLU 97 Ca -0.00 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.65 3i69 h GLU 97 Cb 0.31 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3i69 h GLU 97 CO 0.02 0.69 -0.14 0.78 -1.16 0.00 0.00 179.01 179.20 3i69 h GLY 98 N 1.76 -0.25 0.75 -3.84 0.00 -1.08 -0.87 103.07 99.54 3i69 h GLY 98 Ca -0.01 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.54 3i69 h GLY 98 CO 0.09 -0.14 0.46 -2.22 0.00 0.00 0.00 176.54 174.72 3i69 h ILE 99 N -0.28 1.03 -0.36 2.60 2.04 -1.05 -2.51 117.51 118.98 3i69 h ILE 99 Ca 0.02 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 3i69 h ILE 99 Cb 0.30 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3i69 h ILE 99 CO -0.08 0.16 0.03 0.00 0.00 0.00 0.00 178.15 178.26 3i69 h ALA 100 N 1.36 1.38 -0.41 1.87 0.00 -0.05 0.86 119.26 124.27 3i69 h ALA 100 Ca 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i69 h ALA 100 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i69 h ALA 100 CO -0.16 0.43 0.13 -0.44 0.00 0.00 0.00 179.25 179.21 3i69 h ASP 101 N 0.53 0.60 0.12 0.00 5.19 -0.72 -1.64 116.42 120.51 3i69 h ASP 101 Ca 0.12 -0.21 -0.20 0.00 -0.62 0.00 0.00 57.03 56.12 3i69 h ASP 101 Cb 0.30 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 3i69 h ASP 101 CO 0.01 0.65 -0.74 0.25 -3.12 0.00 0.00 179.24 176.29 3i69 h LEU 102 N 0.53 0.63 -1.41 1.55 5.85 -1.32 -3.08 115.31 118.06 3i69 h LEU 102 Ca 0.13 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3i69 h LEU 102 Cb 0.26 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3i69 h LEU 102 CO -0.00 1.17 0.10 1.23 -0.34 0.00 0.00 178.44 180.60 3i69 h GLY 103 N 1.05 0.53 0.93 3.75 0.00 -0.81 -2.43 103.07 106.09 3i69 h GLY 103 Ca -0.04 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.05 3i69 h GLY 103 CO 0.14 0.25 0.38 -2.09 0.00 0.00 0.00 176.54 175.21 3i69 h GLU 104 N 0.49 0.74 0.00 4.80 4.57 -1.21 -0.88 114.58 123.09 3i69 h GLU 104 Ca 0.12 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3i69 h GLU 104 Cb 0.17 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3i69 h GLU 104 CO -0.01 0.49 -0.21 0.52 -1.18 0.00 0.00 179.01 178.62 3i69 h MET 105 N 0.76 0.00 0.19 1.92 2.86 -1.41 -1.78 114.93 117.47 3i69 h MET 105 Ca 0.23 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.56 3i69 h MET 105 Cb -0.03 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.65 3i69 h MET 105 CO -0.08 0.21 -1.48 0.82 1.06 0.00 0.00 176.91 177.44 3i69 h ILE 106 N 0.00 1.13 -0.13 -1.22 2.04 -1.27 -2.84 117.51 115.22 3i69 h ILE 106 Ca -0.00 -2.55 -0.03 0.00 1.00 0.00 0.00 64.86 63.29 3i69 h ILE 106 Cb 0.54 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 3i69 h ILE 106 CO 0.03 0.80 -0.04 0.40 0.00 0.00 0.00 178.15 179.34 3i69 h ILE 107 N -0.03 1.11 0.00 -0.67 2.04 -0.95 -2.83 117.51 116.19 3i69 h ILE 107 Ca -0.29 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3i69 h ILE 107 Cb 1.99 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3i69 h ILE 107 CO 0.18 0.15 -0.85 0.23 0.00 0.00 0.00 178.15 177.86 3i69 n MET 108 N -4.38 0.10 -0.13 2.37 2.81 -0.69 -4.55 117.12 112.65 3i69 n MET 108 Ca -0.01 -0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.78 3i69 n MET 108 Cb 0.18 -1.53 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 3i69 n MET 108 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3i69 h LEU 109 N 0.00 0.59 0.00 4.03 5.85 -1.24 -2.15 115.31 122.40 3i69 h LEU 109 Ca 0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3i69 h LEU 109 Cb 0.58 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3i69 h LEU 109 CO 0.00 0.71 0.00 -0.81 -0.34 0.00 0.00 178.44 178.00 3i69 n PRO 110 N -4.55 0.34 -0.01 5.25 -0.04 -1.26 -2.21 135.00 132.52 3i69 n PRO 110 Ca -0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 3i69 n PRO 110 Cb 0.23 -1.15 0.04 0.00 -0.04 0.00 0.00 33.50 32.59 3i69 n PRO 110 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3i69 n PHE 111 N -0.65 0.03 -1.60 0.54 3.01 -0.81 -5.01 117.46 112.98 3i69 n PHE 111 Ca 0.02 -0.05 -0.36 0.00 1.01 0.00 0.00 57.45 58.08 3i69 n PHE 111 Cb 0.01 -0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.56 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 -3.64 3.76 0.51 0.00 0.02 -1.26 -4.83 135.00 129.56 3i69 s PRO 113 Ca 0.78 2.24 0.31 0.00 0.02 0.00 0.00 61.00 64.36 3i69 s PRO 113 Cb -0.33 -2.64 1.43 0.00 0.02 0.00 0.00 34.50 32.98 3i69 s PRO 113 CO 0.42 -0.70 1.82 -1.35 -0.33 0.00 0.00 177.00 176.86 3i69 h PRO 114 N 2.37 0.09 0.00 5.54 0.11 -1.98 0.23 132.00 138.37 3i69 h PRO 114 Ca -0.50 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3i69 h PRO 114 Cb 1.26 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3i69 h PRO 114 CO 0.61 0.06 -0.26 1.49 -0.21 0.00 0.00 178.00 179.69 3i69 h GLU 115 N 0.10 0.00 0.00 1.05 4.22 -2.04 -3.12 114.58 114.79 3i69 h GLU 115 Ca 0.53 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.97 3i69 h GLU 115 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 3i69 h GLU 115 CO -0.07 0.26 -1.67 0.39 -2.18 0.00 0.00 179.01 175.73 3i69 n GLU 116 N -4.09 0.45 -0.11 1.92 1.02 0.76 -4.56 120.64 116.03 3i69 n GLU 116 Ca -0.02 -0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 56.90 3i69 n GLU 116 Cb 0.32 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 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 0.00 -0.29 -0.90 3.49 1.57 -1.33 -2.11 116.57 117.00 3i69 h LYS 117 Ca 0.00 0.02 0.22 0.00 -1.87 0.00 0.00 60.65 59.02 3i69 h LYS 117 Cb 0.84 0.07 -0.16 0.00 0.08 0.00 0.00 32.23 33.05 3i69 h LYS 117 CO 0.00 -0.19 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.24 3i69 h ASP 118 N -0.30 -0.47 -0.04 0.86 3.32 -1.80 -0.63 116.42 117.35 3i69 h ASP 118 Ca 0.15 0.25 -0.06 0.00 0.02 0.00 0.00 57.03 57.39 3i69 h ASP 118 Cb 0.57 0.44 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3i69 h ASP 118 CO -0.54 -0.28 -0.21 0.00 -1.72 0.00 0.00 179.24 176.49 3i69 h ALA 119 N 1.88 0.08 -0.85 3.45 0.00 -1.68 -2.72 119.26 119.41 3i69 h ALA 119 Ca 0.51 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3i69 h ALA 119 Cb 0.97 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3i69 h ALA 119 CO -0.83 0.06 0.47 -0.22 0.00 0.00 0.00 179.25 178.73 3i69 h LYS 120 N -0.34 1.19 -0.41 0.00 3.64 -1.02 -0.85 116.57 118.78 3i69 h LYS 120 Ca -0.01 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.30 3i69 h LYS 120 Cb 0.87 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.39 3i69 h LYS 120 CO 0.04 0.87 0.01 1.25 -2.27 0.00 0.00 179.45 179.35 3i69 h LEU 121 N 1.19 -0.15 -0.91 5.20 5.85 -1.19 0.32 115.31 125.62 3i69 h LEU 121 Ca 0.30 0.09 0.10 0.00 0.84 0.00 0.00 57.88 59.22 3i69 h LEU 121 Cb 0.03 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 3i69 h LEU 121 CO -0.05 -0.04 0.55 0.00 -0.34 0.00 0.00 178.44 178.56 3i69 h ALA 122 N 1.36 1.33 -0.10 1.25 0.00 -0.96 -1.46 119.26 120.66 3i69 h ALA 122 Ca 0.20 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 3i69 h ALA 122 Cb 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i69 h ALA 122 CO -0.33 0.17 -0.73 1.25 0.00 0.00 0.00 179.25 179.61 3i69 h LEU 123 N 0.90 0.59 -0.30 0.00 5.85 0.00 -2.06 115.31 120.30 3i69 h LEU 123 Ca 0.44 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3i69 h LEU 123 Cb 0.40 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3i69 h LEU 123 CO -0.25 1.14 0.19 0.40 -0.34 0.00 0.00 178.44 179.58 3i69 h ILE 124 N 0.34 1.09 -0.68 4.05 2.04 0.00 -2.28 117.51 122.08 3i69 h ILE 124 Ca -0.03 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3i69 h ILE 124 Cb 1.32 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3i69 h ILE 124 CO 0.13 0.09 0.31 0.11 0.00 0.00 0.00 178.15 178.80 3i69 h LYS 125 N 0.39 0.99 -0.41 2.37 1.57 -1.26 -1.34 116.57 118.89 3i69 h LYS 125 Ca 0.11 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3i69 h LYS 125 Cb -0.01 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.07 3i69 h LYS 125 CO -0.02 0.80 0.11 1.49 -0.57 0.00 0.00 179.45 181.25 3i69 h GLU 126 N 0.95 0.24 -0.10 3.15 4.22 -1.23 -0.36 114.58 121.45 3i69 h GLU 126 Ca 0.23 -0.01 -0.17 0.00 0.08 0.00 0.00 59.36 59.49 3i69 h GLU 126 Cb 0.14 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3i69 h GLU 126 CO -0.03 0.16 -0.66 0.87 -2.18 0.00 0.00 179.01 177.17 3i69 h LYS 127 N 0.25 0.41 0.41 1.92 1.57 -1.20 -1.04 116.57 118.89 3i69 h LYS 127 Ca 0.19 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3i69 h LYS 127 Cb 0.21 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3i69 h LYS 127 CO -0.23 0.93 -0.20 0.82 -0.57 0.00 0.00 179.45 180.20 3i69 h ILE 128 N 0.29 0.49 -0.43 1.86 2.04 -1.07 0.23 117.51 120.92 3i69 h ILE 128 Ca -0.02 -0.53 0.07 0.00 1.00 0.00 0.00 64.86 65.39 3i69 h ILE 128 Cb 1.22 0.71 -0.09 0.00 -0.74 0.00 0.00 36.82 37.91 3i69 h ILE 128 CO 0.11 0.08 -0.41 0.50 0.00 0.00 0.00 178.15 178.43 3i69 h LYS 129 N -0.90 -0.29 0.00 2.37 3.64 -1.06 -2.31 116.57 118.02 3i69 h LYS 129 Ca -0.06 0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.08 3i69 h LYS 129 Cb 0.55 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 3i69 h LYS 129 CO 0.09 -0.19 -2.25 0.09 -2.27 0.00 0.00 179.45 174.92 3i69 n ASN 130 N -5.41 0.04 0.00 4.20 5.03 -0.40 -4.40 115.26 114.32 3i69 n ASN 130 Ca 0.00 0.02 -0.03 0.00 0.87 0.00 0.00 54.58 55.44 3i69 n ASN 130 Cb 0.35 1.22 -0.01 0.00 -1.02 0.00 0.00 39.78 40.32 3i69 n ASN 130 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3i69 n ARG 131 N -2.63 0.16 -0.01 3.52 0.63 -0.55 -4.65 116.66 113.13 3i69 n ARG 131 Ca -0.24 0.06 -0.12 0.00 -0.92 0.00 0.00 57.85 56.63 3i69 n ARG 131 Cb 0.99 -0.74 -0.10 0.00 0.45 0.00 0.00 32.46 33.06 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 -0.30 -0.07 -0.26 -0.14 0.05 -0.67 -2.99 116.97 112.59 3i69 h TYR 132 Ca 0.00 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 3i69 h TYR 132 Cb 0.30 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 3i69 h TYR 132 CO -0.13 0.54 -0.03 0.74 -1.05 0.00 0.00 178.16 178.23 3i69 h PHE 133 N -0.78 0.54 -0.83 4.88 -1.00 -1.62 -2.63 116.94 115.49 3i69 h PHE 133 Ca -0.01 -0.11 0.11 0.00 2.81 0.00 0.00 57.97 60.78 3i69 h PHE 133 Cb 0.64 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 40.00 3i69 h PHE 133 CO 0.14 0.67 0.54 -1.35 -1.61 0.00 0.00 178.31 176.70 3i69 h PRO 134 N 0.25 0.70 0.00 1.51 0.11 -1.77 -0.87 132.00 131.94 3i69 h PRO 134 Ca 0.07 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 3i69 h PRO 134 Cb 0.48 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3i69 h PRO 134 CO 0.02 0.47 -0.28 0.00 -0.21 0.00 0.00 178.00 178.00 3i69 h ALA 135 N 1.60 1.28 0.00 -0.75 0.00 -1.32 -2.33 119.26 117.74 3i69 h ALA 135 Ca 0.39 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3i69 h ALA 135 Cb 0.53 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3i69 h ALA 135 CO -0.16 0.34 -1.57 1.19 0.00 0.00 0.00 179.25 179.05 3i69 n PHE 136 N -3.83 0.73 -0.11 0.00 3.72 -0.88 -3.43 117.46 113.67 3i69 n PHE 136 Ca -0.01 0.24 -0.09 0.00 -0.05 0.00 0.00 57.45 57.53 3i69 n PHE 136 Cb 0.36 -0.99 0.05 0.00 -0.94 0.00 0.00 39.48 37.97 3i69 n PHE 136 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3i69 h GLU 137 N 0.00 0.85 -0.33 -1.08 4.57 -1.08 -2.75 114.58 114.75 3i69 h GLU 137 Ca -0.17 -0.36 -0.16 0.00 -1.18 0.00 0.00 59.36 57.48 3i69 h GLU 137 Cb 1.53 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.08 3i69 h GLU 137 CO 0.03 1.00 -0.43 -0.22 -1.18 0.00 0.00 179.01 178.22 3i69 h LYS 138 N 0.73 0.85 -0.38 1.92 3.64 -1.55 0.17 116.57 121.94 3i69 h LYS 138 Ca 0.09 -0.46 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 3i69 h LYS 138 Cb 0.78 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 3i69 h LYS 138 CO 0.06 1.10 0.20 0.28 -2.27 0.00 0.00 179.45 178.83 3i69 h VAL 139 N 0.68 1.16 -0.56 2.00 2.07 -1.59 0.24 116.25 120.25 3i69 h VAL 139 Ca 0.05 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 3i69 h VAL 139 Cb 1.01 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3i69 h VAL 139 CO 0.10 0.16 -0.06 -0.07 0.02 0.00 0.00 177.57 177.72 3i69 h LEU 140 N 0.49 1.00 -0.33 2.57 3.38 -1.39 -3.23 115.31 117.79 3i69 h LEU 140 Ca 0.13 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3i69 h LEU 140 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3i69 h LEU 140 CO -0.02 1.09 -0.19 0.50 0.09 0.00 0.00 178.44 179.91 3i69 h LYS 141 N 0.91 0.72 -0.32 1.13 3.64 -0.46 0.38 116.57 122.57 3i69 h LYS 141 Ca 0.15 -0.33 0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3i69 h LYS 141 Cb 0.61 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3i69 h LYS 141 CO 0.04 0.93 0.22 0.66 -2.27 0.00 0.00 179.45 179.03 3i69 h SER 142 N 0.49 0.20 0.00 4.20 4.64 -0.54 -2.89 113.55 119.64 3i69 h SER 142 Ca 0.07 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3i69 h SER 142 Cb 0.74 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3i69 h SER 142 CO 0.05 0.13 -0.63 0.00 -0.87 0.00 0.00 176.83 175.51 3i69 n HIS 143 N -4.48 0.00 -0.57 4.77 1.44 -1.23 -5.02 115.22 110.13 3i69 n HIS 143 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 3i69 n HIS 143 Cb 0.23 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.29 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 1.47 0.42 3.80 -1.39 0.00 0.13 -4.96 105.19 104.67 3i69 n GLY 144 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.57 2.06 0.34 1.61 -0.21 -1.25 -4.96 119.66 116.67 3i69 s GLN 145 Ca 0.00 0.67 0.05 0.00 0.02 0.00 0.00 55.36 56.10 3i69 s GLN 145 Cb 0.00 -1.91 0.62 0.00 1.00 0.00 0.00 33.01 32.71 3i69 s GLN 145 CO 0.00 -1.65 1.88 -0.44 -2.12 0.00 0.00 175.29 172.97 3i69 h ASP 146 N -1.11 0.48 -1.32 5.90 5.19 -1.92 -3.46 116.42 120.19 3i69 h ASP 146 Ca -0.47 -0.09 -0.63 0.00 -0.62 0.00 0.00 57.03 55.22 3i69 h ASP 146 Cb 1.27 -0.13 -0.12 0.00 0.18 0.00 0.00 39.33 40.53 3i69 h ASP 146 CO 0.59 0.55 -0.56 -0.31 -3.12 0.00 0.00 179.24 176.39 3i69 s TYR 147 N -4.98 2.35 0.01 4.55 2.02 -1.26 -4.88 117.35 115.15 3i69 s TYR 147 Ca -0.08 -0.73 -0.19 0.00 -0.37 0.00 0.00 57.07 55.70 3i69 s TYR 147 Cb 0.16 -1.76 -0.24 0.00 -0.40 0.00 0.00 41.96 39.71 3i69 s TYR 147 CO 0.76 0.34 1.10 -0.07 -1.57 0.00 0.00 175.55 176.11 3i69 h LEU 148 N 1.60 0.56 -7.88 -1.29 3.38 -1.88 -3.43 115.31 106.37 3i69 h LEU 148 Ca -0.44 -0.77 -0.28 0.00 0.09 0.00 0.00 57.88 56.48 3i69 h LEU 148 Cb 1.26 -0.17 -0.27 0.00 0.09 0.00 0.00 40.66 41.57 3i69 h LEU 148 CO 0.78 1.25 -0.74 -0.69 0.09 0.00 0.00 178.44 179.13 3i69 s VAL 149 N -3.18 0.27 -1.00 1.22 1.01 -1.26 -4.89 120.40 112.58 3i69 s VAL 149 Ca -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3i69 s VAL 149 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.16 3i69 s VAL 149 CO 0.83 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.54 3i69 n GLY 150 N 2.80 1.06 2.64 4.51 0.00 -1.26 -3.75 105.19 111.19 3i69 n GLY 150 Ca -0.14 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.15 -1.43 -4.27 1.61 5.15 -1.26 -4.93 115.26 109.98 3i69 n ASN 151 Ca -0.09 0.34 -0.15 0.00 -0.60 0.00 0.00 54.58 54.08 3i69 n ASN 151 Cb 0.38 -1.34 -0.10 0.00 -0.53 0.00 0.00 39.78 38.19 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 -5.17 1.27 0.36 1.20 -2.85 -1.25 -4.88 119.74 108.43 3i69 s LYS 152 Ca 0.06 -1.66 -0.28 0.00 -1.00 0.00 0.00 55.97 53.08 3i69 s LYS 152 Cb -0.04 -0.19 -0.11 0.00 -2.06 0.00 0.00 37.83 35.43 3i69 s LYS 152 CO 0.07 -0.25 1.49 -0.11 0.10 0.00 0.00 175.35 176.66 3i69 n LEU 153 N -0.36 4.61 -4.21 2.77 7.94 -1.26 -4.66 117.00 121.82 3i69 n LEU 153 Ca -0.02 1.21 -0.14 0.00 -1.11 0.00 0.00 56.01 55.95 3i69 n LEU 153 Cb 0.65 -1.61 -0.09 0.00 0.53 0.00 0.00 43.42 42.91 3i69 n LEU 153 CO 0.35 0.11 -0.16 -0.94 -1.11 0.00 0.00 177.39 175.64 3i69 s SER 154 N -0.02 0.69 0.55 1.96 1.04 -1.26 -4.85 113.70 111.80 3i69 s SER 154 Ca 0.55 -1.50 0.31 0.00 0.48 0.00 0.00 55.95 55.79 3i69 s SER 154 Cb -0.49 0.46 1.63 0.00 0.10 0.00 0.00 66.02 67.72 3i69 s SER 154 CO 0.61 -0.95 2.13 0.08 0.98 0.00 0.00 173.24 176.09 3i69 h ARG 155 N 2.42 0.00 -0.53 4.02 0.11 -1.64 -2.45 114.38 116.30 3i69 h ARG 155 Ca -0.31 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.74 3i69 h ARG 155 Cb 1.24 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.30 3i69 h ARG 155 CO 0.46 0.08 0.23 0.00 0.10 0.00 0.00 179.97 180.84 3i69 h ALA 156 N 1.92 1.41 -0.23 0.08 0.00 -1.90 -1.14 119.26 119.40 3i69 h ALA 156 Ca -0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3i69 h ALA 156 Cb 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i69 h ALA 156 CO 0.01 0.46 -0.35 -0.44 0.00 0.00 0.00 179.25 178.93 3i69 h ASP 157 N 0.75 0.71 -0.01 0.00 3.32 -1.86 -2.76 116.42 116.58 3i69 h ASP 157 Ca 0.18 -0.52 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 3i69 h ASP 157 Cb 0.12 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3i69 h ASP 157 CO -0.02 1.09 -0.00 0.40 -1.72 0.00 0.00 179.24 178.99 3i69 h ILE 158 N 0.35 1.33 -0.23 0.35 1.08 -1.42 -1.19 117.51 117.78 3i69 h ILE 158 Ca 0.02 -0.98 -0.04 0.00 -0.39 0.00 0.00 64.86 63.47 3i69 h ILE 158 Cb 0.94 1.98 -0.01 0.00 -3.07 0.00 0.00 36.82 36.66 3i69 h ILE 158 CO 0.08 0.26 -0.06 0.45 -0.69 0.00 0.00 178.15 178.19 3i69 h HIS 159 N -0.40 0.36 0.09 1.37 3.86 -1.34 -1.74 115.15 117.35 3i69 h HIS 159 Ca 0.00 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3i69 h HIS 159 Cb 0.42 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.79 3i69 h HIS 159 CO 0.07 0.41 -0.04 1.25 0.86 0.00 0.00 177.93 180.48 3i69 h LEU 160 N 0.33 -0.10 -0.11 2.43 5.85 -1.40 -2.60 115.31 119.71 3i69 h LEU 160 Ca 0.07 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.36 3i69 h LEU 160 Cb 0.32 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3i69 h LEU 160 CO 0.01 0.44 -0.03 0.58 -0.34 0.00 0.00 178.44 179.11 3i69 h VAL 161 N -0.68 0.89 -0.86 1.05 2.07 -1.15 -1.09 116.25 116.48 3i69 h VAL 161 Ca -0.01 -0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.70 3i69 h VAL 161 Cb 0.55 0.89 -0.16 0.00 -1.52 0.00 0.00 31.29 31.05 3i69 h VAL 161 CO 0.02 0.00 -0.09 -0.08 0.02 0.00 0.00 177.57 177.44 3i69 h GLU 162 N 0.00 0.04 -0.50 1.57 4.81 -1.37 0.08 114.58 119.21 3i69 h GLU 162 Ca 0.05 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3i69 h GLU 162 Cb 0.08 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3i69 h GLU 162 CO -0.11 0.02 0.12 1.25 -0.73 0.00 0.00 179.01 179.56 3i69 h LEU 163 N 0.04 0.75 -1.46 1.64 5.85 -0.87 -2.71 115.31 118.56 3i69 h LEU 163 Ca 0.46 -0.23 0.12 0.00 0.84 0.00 0.00 57.88 59.07 3i69 h LEU 163 Cb 0.80 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3i69 h LEU 163 CO -0.82 0.79 0.51 -0.07 -0.34 0.00 0.00 178.44 178.50 3i69 h LEU 164 N 0.68 0.52 -0.99 2.25 3.38 0.18 0.23 115.31 121.57 3i69 h LEU 164 Ca 0.16 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3i69 h LEU 164 Cb 0.33 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3i69 h LEU 164 CO 0.00 0.29 -0.32 1.88 0.09 0.00 0.00 178.44 180.38 3i69 h TYR 165 N 0.57 0.38 -0.02 1.13 0.05 -1.05 -1.65 116.97 116.38 3i69 h TYR 165 Ca 0.37 -0.09 -0.20 0.00 0.05 0.00 0.00 58.73 58.87 3i69 h TYR 165 Cb 0.65 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 3i69 h TYR 165 CO -0.00 0.62 -0.84 1.88 -1.05 0.00 0.00 178.16 178.77 3i69 h TYR 166 N 0.29 0.41 -0.78 4.88 0.05 -0.70 -2.91 116.97 118.22 3i69 h TYR 166 Ca 0.04 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.61 3i69 h TYR 166 Cb 0.71 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.36 3i69 h TYR 166 CO 0.02 1.00 0.50 0.28 -1.05 0.00 0.00 178.16 178.91 3i69 h VAL 167 N 0.17 1.21 -0.17 -2.88 2.07 -0.37 -2.34 116.25 113.93 3i69 h VAL 167 Ca -0.05 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 3i69 h VAL 167 Cb 1.45 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3i69 h VAL 167 CO 0.14 0.20 -0.51 -0.08 0.02 0.00 0.00 177.57 177.35 3i69 h GLU 168 N 1.06 0.46 -0.57 1.57 4.81 -1.15 0.23 114.58 120.99 3i69 h GLU 168 Ca 0.28 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3i69 h GLU 168 Cb -0.09 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3i69 h GLU 168 CO -0.06 0.86 0.15 0.93 -0.73 0.00 0.00 179.01 180.16 3i69 h GLU 169 N 0.36 0.90 0.21 1.92 5.08 -1.38 -3.20 114.58 118.48 3i69 h GLU 169 Ca 0.01 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3i69 h GLU 169 Cb 1.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3i69 h GLU 169 CO 0.09 0.84 -0.10 1.25 -1.00 0.00 0.00 179.01 180.09 3i69 h LEU 170 N 0.81 -0.24 -6.64 1.33 6.46 -0.99 -3.45 115.31 112.59 3i69 h LEU 170 Ca 0.18 -0.23 0.10 0.00 -0.12 0.00 0.00 57.88 57.81 3i69 h LEU 170 Cb 0.33 0.06 -0.21 0.00 -0.73 0.00 0.00 40.66 40.12 3i69 h LEU 170 CO 0.00 0.12 -0.10 -0.62 -0.62 0.00 0.00 178.44 177.22 3i69 s ASP 171 N -5.23 -1.09 0.00 1.25 2.15 0.77 -5.06 116.67 109.47 3i69 s ASP 171 Ca -0.14 1.24 0.25 0.00 0.43 0.00 0.00 52.55 54.32 3i69 s ASP 171 Cb 0.02 2.14 1.22 0.00 -0.30 0.00 0.00 42.92 46.00 3i69 s ASP 171 CO 0.58 -0.21 1.82 -1.54 -0.17 0.00 0.00 175.17 175.65 3i69 n SER 172 N 5.38 0.00 -0.02 -0.34 3.41 -1.21 -3.40 113.62 117.44 3i69 n SER 172 Ca -0.09 0.01 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 3i69 n SER 172 Cb 0.50 -0.32 0.40 0.00 -0.26 0.00 0.00 64.21 64.54 3i69 n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i69 n SER 173 N -1.32 0.37 -0.03 4.04 3.41 -1.26 -4.36 113.62 114.47 3i69 n SER 173 Ca 0.11 -0.08 -0.14 0.00 -0.26 0.00 0.00 58.87 58.50 3i69 n SER 173 Cb 0.21 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 3i69 n SER 173 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i69 h LEU 174 N 0.11 0.14 -1.51 1.04 3.38 -1.91 -3.22 115.31 113.33 3i69 h LEU 174 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3i69 h LEU 174 Cb 0.49 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i69 h LEU 174 CO 0.00 0.76 0.00 -0.29 0.09 0.00 0.00 178.44 179.00 3i69 h ILE 175 N -0.48 0.00 -0.64 1.22 2.10 -1.84 -3.34 117.51 114.53 3i69 h ILE 175 Ca -0.01 -0.13 0.07 0.00 1.08 0.00 0.00 64.86 65.87 3i69 h ILE 175 Cb 0.75 0.85 -0.04 0.00 -1.09 0.00 0.00 36.82 37.29 3i69 h ILE 175 CO 0.02 0.00 0.43 0.77 -1.08 0.00 0.00 178.15 178.29 3i69 h SER 176 N 0.00 0.54 0.67 2.19 4.64 -1.81 -0.84 113.55 118.94 3i69 h SER 176 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i69 h SER 176 Cb 0.17 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3i69 h SER 176 CO 0.00 0.35 0.00 -1.20 -0.87 0.00 0.00 176.83 175.11 3i69 n SER 177 N -4.48 0.00 -3.92 4.97 7.64 -1.25 -4.49 113.62 112.09 3i69 n SER 177 Ca 0.09 0.21 -0.29 0.00 1.01 0.00 0.00 58.87 59.90 3i69 n SER 177 Cb 0.25 -0.39 -0.12 0.00 -1.01 0.00 0.00 64.21 62.94 3i69 n SER 177 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i69 s PHE 178 N -2.79 3.57 0.28 1.43 0.08 -0.32 -4.96 117.98 115.27 3i69 s PHE 178 Ca 0.18 -3.31 0.01 0.00 0.12 0.00 0.00 56.93 53.92 3i69 s PHE 178 Cb 0.17 -2.75 0.54 0.00 -0.57 0.00 0.00 43.02 40.41 3i69 s PHE 178 CO 0.42 -0.57 1.82 -1.00 -0.10 0.00 0.00 175.22 175.79 3i69 h PRO 179 N 5.52 0.88 0.00 0.24 0.13 -1.79 -2.14 132.00 134.85 3i69 h PRO 179 Ca 0.13 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.18 3i69 h PRO 179 Cb 0.77 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 3i69 h PRO 179 CO 0.73 0.58 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.87 3i69 h LEU 180 N 0.91 0.00 -0.44 1.56 3.38 -1.94 -1.72 115.31 117.06 3i69 h LEU 180 Ca 0.49 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.28 3i69 h LEU 180 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3i69 h LEU 180 CO -0.28 0.14 -0.66 -0.07 0.09 0.00 0.00 178.44 177.65 3i69 h LEU 181 N 0.00 0.55 -0.26 1.67 3.38 -1.74 -1.87 115.31 117.04 3i69 h LEU 181 Ca -0.00 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.52 3i69 h LEU 181 Cb 0.42 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3i69 h LEU 181 CO 0.02 1.06 -0.29 0.11 0.09 0.00 0.00 178.44 179.42 3i69 h LYS 182 N 0.34 0.65 -0.27 1.13 1.57 -1.29 0.11 116.57 118.82 3i69 h LYS 182 Ca -0.02 -0.36 -0.18 0.00 -1.87 0.00 0.00 60.65 58.22 3i69 h LYS 182 Cb 1.22 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 3i69 h LYS 182 CO 0.12 0.97 -0.55 0.00 -0.57 0.00 0.00 179.45 179.41 3i69 h ALA 183 N 0.67 0.50 0.09 3.86 0.00 -1.48 -0.51 119.26 122.40 3i69 h ALA 183 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3i69 h ALA 183 Cb 0.87 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i69 h ALA 183 CO 0.07 0.68 -0.09 1.25 0.00 0.00 0.00 179.25 181.16 3i69 h LEU 184 N 0.63 -0.24 -1.03 0.00 5.85 -1.36 -0.36 115.31 118.80 3i69 h LEU 184 Ca 0.01 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.92 3i69 h LEU 184 Cb 1.15 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 3i69 h LEU 184 CO 0.12 -0.14 0.62 0.50 -0.34 0.00 0.00 178.44 179.20 3i69 h LYS 185 N -0.20 0.80 0.03 1.25 3.64 -0.66 -1.43 116.57 120.01 3i69 h LYS 185 Ca 0.01 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3i69 h LYS 185 Cb 0.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3i69 h LYS 185 CO -0.03 0.53 -0.02 1.15 -2.27 0.00 0.00 179.45 178.81 3i69 h THR 186 N 0.83 1.26 -0.05 1.00 2.02 -0.82 -2.58 112.91 114.58 3i69 h THR 186 Ca 0.55 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.81 3i69 h THR 186 Cb 0.78 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 69.03 3i69 h THR 186 CO -0.34 0.24 -0.15 0.03 0.37 0.00 0.00 175.52 175.67 3i69 h ARG 187 N -0.46 -0.22 -0.45 6.66 3.08 -0.44 -0.06 114.38 122.50 3i69 h ARG 187 Ca -0.00 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3i69 h ARG 187 Cb 0.43 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3i69 h ARG 187 CO 0.01 -0.14 0.06 0.82 -1.07 0.00 0.00 179.97 179.65 3i69 h ILE 188 N -0.22 1.25 -0.48 2.04 1.08 -1.39 -1.50 117.51 118.29 3i69 h ILE 188 Ca 0.07 -0.92 0.07 0.00 -0.39 0.00 0.00 64.86 63.69 3i69 h ILE 188 Cb 0.31 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 3i69 h ILE 188 CO -0.18 0.32 0.32 0.28 -0.69 0.00 0.00 178.15 178.20 3i69 h SER 189 N 0.61 0.33 1.42 1.72 0.02 -1.26 -1.89 113.55 114.50 3i69 h SER 189 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3i69 h SER 189 Cb 0.40 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3i69 h SER 189 CO 0.01 0.21 0.00 0.78 -1.14 0.00 0.00 176.83 176.69 3i69 h ASN 190 N 0.37 0.00 -2.53 3.07 2.35 0.02 -2.89 115.58 115.97 3i69 h ASN 190 Ca 0.21 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.43 3i69 h ASN 190 Cb 0.36 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.75 3i69 h ASN 190 CO -0.05 0.00 1.12 -0.76 -1.65 0.00 0.00 177.43 176.09 3i69 s LEU 191 N -6.06 4.39 0.28 1.61 1.43 -0.71 -4.70 118.68 114.92 3i69 s LEU 191 Ca 0.04 2.62 0.08 0.00 -1.03 0.00 0.00 54.13 55.84 3i69 s LEU 191 Cb 0.07 -3.55 0.84 0.00 0.03 0.00 0.00 46.19 43.58 3i69 s LEU 191 CO 0.59 -0.98 1.34 -2.65 0.23 0.00 0.00 176.35 174.88 3i69 n PRO 192 N 6.33 -0.06 -0.07 1.29 -0.02 -1.26 -0.36 135.00 140.85 3i69 n PRO 192 Ca 0.18 1.24 -0.12 0.00 -2.02 0.00 0.00 63.50 62.78 3i69 n PRO 192 Cb 0.40 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 3i69 n PRO 192 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3i69 h THR 193 N 0.00 1.28 -0.40 3.45 1.35 -1.88 -0.99 112.91 115.72 3i69 h THR 193 Ca 0.60 -1.01 -0.13 0.00 -0.55 0.00 0.00 66.41 65.32 3i69 h THR 193 Cb 1.39 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 3i69 h THR 193 CO -0.75 0.31 -0.26 0.58 -0.25 0.00 0.00 175.52 175.15 3i69 h VAL 194 N 0.11 1.27 0.04 6.82 2.07 -0.94 0.88 116.25 126.50 3i69 h VAL 194 Ca 0.05 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.19 3i69 h VAL 194 Cb 0.48 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3i69 h VAL 194 CO 0.02 0.47 -0.11 0.50 0.02 0.00 0.00 177.57 178.46 3i69 h LYS 195 N 0.72 -0.21 0.32 1.57 3.64 -0.74 0.15 116.57 122.02 3i69 h LYS 195 Ca 0.09 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3i69 h LYS 195 Cb 0.80 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 3i69 h LYS 195 CO 0.07 -0.14 -0.32 -0.22 -2.27 0.00 0.00 179.45 176.57 3i69 h LYS 196 N -0.21 -0.65 -0.98 1.90 3.64 -1.00 -2.42 116.57 116.84 3i69 h LYS 196 Ca 0.03 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.60 3i69 h LYS 196 Cb 0.24 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.12 3i69 h LYS 196 CO -0.08 -0.43 0.62 0.35 -2.27 0.00 0.00 179.45 177.63 3i69 h PHE 197 N -0.67 1.05 0.00 1.91 3.57 -0.65 -0.48 116.94 121.67 3i69 h PHE 197 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3i69 h PHE 197 Cb 0.61 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3i69 h PHE 197 CO -0.19 0.36 0.00 1.28 -2.23 0.00 0.00 178.31 177.52 3i69 n LEU 198 N -4.64 0.72 -4.87 0.59 4.77 0.51 -4.57 117.00 109.51 3i69 n LEU 198 Ca 0.20 0.63 -0.31 0.00 -0.03 0.00 0.00 56.01 56.50 3i69 n LEU 198 Cb 0.45 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3i69 n LEU 198 CO 0.26 -0.41 0.72 -1.10 -1.33 0.00 0.00 177.39 175.53 3i69 s GLN 199 N -3.23 3.57 1.17 3.23 -0.21 -0.19 -5.05 119.66 118.96 3i69 s GLN 199 Ca 0.07 0.73 -0.13 0.00 0.02 0.00 0.00 55.36 56.05 3i69 s GLN 199 Cb 0.10 -2.08 0.29 0.00 1.00 0.00 0.00 33.01 32.32 3i69 s GLN 199 CO 0.47 -0.58 1.03 -2.14 -2.12 0.00 0.00 175.29 171.94 3i69 s PRO 200 N -5.18 -1.00 0.00 2.91 0.02 -1.26 -3.76 135.00 126.72 3i69 s PRO 200 Ca 0.55 0.76 0.00 0.00 0.02 0.00 0.00 61.00 62.33 3i69 s PRO 200 Cb -0.11 -1.55 0.00 0.00 0.02 0.00 0.00 34.50 32.86 3i69 s PRO 200 CO 0.54 -3.76 0.00 0.41 -0.33 0.00 0.00 177.00 173.86 3i69 n GLY 201 N 0.68 2.46 3.90 0.52 0.00 -1.26 -4.98 105.19 106.51 3i69 n GLY 201 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.18 3.37 0.00 1.61 1.04 -1.25 -4.97 113.70 110.33 3i69 s SER 202 Ca 0.00 0.44 0.26 0.00 0.48 0.00 0.00 55.95 57.13 3i69 s SER 202 Cb 0.00 -0.63 1.20 0.00 0.10 0.00 0.00 66.02 66.69 3i69 s SER 202 CO 0.00 -2.59 1.85 -2.65 0.98 0.00 0.00 173.24 170.84 3i69 n PRO 203 N -3.70 0.17 -1.65 4.02 -0.02 -1.26 -4.84 135.00 127.71 3i69 n PRO 203 Ca 0.13 0.05 -0.45 0.00 -2.02 0.00 0.00 63.50 61.21 3i69 n PRO 203 Cb 0.60 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.55 3i69 n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i69 n ARG 204 N -1.40 1.84 -4.08 -0.52 0.63 -1.26 -4.97 116.66 106.89 3i69 n ARG 204 Ca 0.09 0.65 -0.27 0.00 -0.92 0.00 0.00 57.85 57.41 3i69 n ARG 204 Cb 0.26 -2.24 -0.06 0.00 0.45 0.00 0.00 32.46 30.87 3i69 n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3i69 s LYS 205 N -0.80 2.87 0.82 -0.14 -0.14 -1.26 -5.01 119.74 116.08 3i69 s LYS 205 Ca 0.65 -0.86 -0.11 0.00 -1.36 0.00 0.00 55.97 54.29 3i69 s LYS 205 Cb -0.67 -2.64 0.08 0.00 -1.68 0.00 0.00 37.83 32.92 3i69 s LYS 205 CO 0.53 0.49 1.10 -1.25 -0.76 0.00 0.00 175.35 175.46 3i69 s PRO 206 N -3.01 1.91 0.58 -1.68 0.04 -1.26 -4.80 135.00 126.78 3i69 s PRO 206 Ca 0.31 0.69 -0.19 0.00 0.04 0.00 0.00 61.00 61.84 3i69 s PRO 206 Cb -0.10 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 3i69 s PRO 206 CO 0.23 -1.76 0.97 -2.30 0.04 0.00 0.00 177.00 174.18 3i69 n PRO 207 N -3.53 0.95 -2.14 0.56 -0.02 -1.26 -4.33 135.00 125.23 3i69 n PRO 207 Ca 0.07 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 3i69 n PRO 207 Cb 0.56 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3i69 n PRO 207 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3i69 s PRO 208 N -2.68 3.09 1.00 0.52 0.04 -1.26 -5.00 135.00 130.71 3i69 s PRO 208 Ca 0.74 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 3i69 s PRO 208 Cb -0.43 -4.24 0.19 0.00 0.04 0.00 0.00 34.50 30.07 3i69 s PRO 208 CO 0.48 -2.18 1.18 0.16 0.04 0.00 0.00 177.00 176.69 3i69 s ASP 209 N 6.25 2.74 0.47 6.66 1.47 -1.26 -4.89 116.67 128.11 3i69 s ASP 209 Ca 0.67 0.69 0.26 0.00 1.18 0.00 0.00 52.55 55.34 3i69 s ASP 209 Cb -0.15 -1.03 1.09 0.00 -0.34 0.00 0.00 42.92 42.48 3i69 s ASP 209 CO 0.27 -3.00 1.90 -0.33 0.68 0.00 0.00 175.17 174.68 3i69 h GLU 210 N -1.81 0.00 -0.54 2.11 4.39 -2.00 -1.95 114.58 114.78 3i69 h GLU 210 Ca -0.47 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 3i69 h GLU 210 Cb 1.30 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.92 3i69 h GLU 210 CO 0.48 0.18 0.24 0.82 -1.16 0.00 0.00 179.01 179.57 3i69 h ILE 211 N 0.00 1.19 -0.15 3.13 2.04 -1.99 -2.99 117.51 118.73 3i69 h ILE 211 Ca -0.00 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3i69 h ILE 211 Cb 0.63 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3i69 h ILE 211 CO 0.02 0.22 -0.08 0.22 0.00 0.00 0.00 178.15 178.54 3i69 h TYR 212 N 0.76 0.38 0.00 1.37 3.20 -1.71 -2.70 116.97 118.27 3i69 h TYR 212 Ca 0.19 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3i69 h TYR 212 Cb 0.12 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3i69 h TYR 212 CO 0.01 0.65 -0.24 0.28 -1.64 0.00 0.00 178.16 177.22 3i69 h VAL 213 N -0.00 0.75 0.00 1.81 2.07 -1.51 -0.80 116.25 118.56 3i69 h VAL 213 Ca 0.03 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3i69 h VAL 213 Cb 0.55 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3i69 h VAL 213 CO 0.02 0.23 -0.67 -2.11 0.02 0.00 0.00 177.57 175.06 3i69 n ARG 214 N -3.64 0.07 0.11 1.57 1.85 -1.13 -3.46 116.66 112.03 3i69 n ARG 214 Ca -0.01 0.01 -0.22 0.00 -1.00 0.00 0.00 57.85 56.62 3i69 n ARG 214 Cb 0.36 -1.53 -0.15 0.00 -1.05 0.00 0.00 32.46 30.09 3i69 n ARG 214 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 3i69 h THR 215 N 0.00 1.19 -0.63 8.89 2.02 -1.03 -3.14 112.91 120.21 3i69 h THR 215 Ca 0.00 -2.71 -0.02 0.00 0.77 0.00 0.00 66.41 64.45 3i69 h THR 215 Cb 0.56 2.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.86 3i69 h THR 215 CO 0.00 0.84 0.30 0.58 0.37 0.00 0.00 175.52 177.60 3i69 h VAL 216 N 0.12 1.22 -0.43 3.16 2.07 -1.29 -2.84 116.25 118.25 3i69 h VAL 216 Ca -0.27 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 66.52 3i69 h VAL 216 Cb 2.11 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3i69 h VAL 216 CO 0.23 0.25 -0.18 1.88 0.02 0.00 0.00 177.57 179.77 3i69 h TYR 217 N 0.87 0.94 -0.94 1.57 0.99 -1.70 -3.07 116.97 115.62 3i69 h TYR 217 Ca 0.22 -0.20 0.23 0.00 2.00 0.00 0.00 58.73 60.97 3i69 h TYR 217 Cb 0.12 -0.23 -0.12 0.00 1.00 0.00 0.00 36.73 37.50 3i69 h TYR 217 CO 0.00 0.95 0.49 -0.91 -0.00 0.00 0.00 178.16 178.69 3i69 h ASN 218 N 0.74 0.51 -0.49 3.88 4.21 -1.45 0.57 115.58 123.54 3i69 h ASN 218 Ca 0.11 0.14 -0.09 0.00 1.21 0.00 0.00 56.30 57.67 3i69 h ASN 218 Cb 0.70 0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.96 3i69 h ASN 218 CO 0.05 0.06 -0.04 0.40 -1.29 0.00 0.00 177.43 176.61 3i69 h ILE 219 N 0.50 1.27 -0.00 2.81 2.04 -1.47 -3.42 117.51 119.23 3i69 h ILE 219 Ca 0.59 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3i69 h ILE 219 Cb 1.11 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3i69 h ILE 219 CO -0.49 0.40 0.00 0.49 0.00 0.00 0.00 178.15 178.54