#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i69 n PRO 5 N 0.00 1.14 -3.90 1.97 -0.02 -1.26 -4.62 135.00 128.30 3i69 n PRO 5 Ca 0.00 0.40 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 3i69 n PRO 5 Cb 0.00 -1.83 -0.14 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.74 2.42 -0.45 -0.52 2.20 -1.03 -1.12 119.74 120.50 3i69 s LYS 6 Ca 0.69 -1.28 -0.21 0.00 -0.36 0.00 0.00 55.97 54.81 3i69 s LYS 6 Cb -0.82 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 32.33 3i69 s LYS 6 CO 0.55 -0.63 0.66 -0.51 -0.36 0.00 0.00 175.35 175.05 3i69 s LEU 7 N 1.25 4.51 -0.31 5.43 1.02 0.11 -2.31 118.68 128.37 3i69 s LEU 7 Ca -0.05 -0.37 -0.19 0.00 0.02 0.00 0.00 54.13 53.55 3i69 s LEU 7 Cb -0.20 -2.73 -0.01 0.00 0.02 0.00 0.00 46.19 43.27 3i69 s LEU 7 CO -0.01 -0.81 0.56 -1.00 0.02 0.00 0.00 176.35 175.11 3i69 s HIS 8 N 2.87 3.21 0.15 0.29 3.76 0.09 -1.68 115.29 123.98 3i69 s HIS 8 Ca 0.23 0.44 -0.22 0.00 -0.15 0.00 0.00 55.06 55.36 3i69 s HIS 8 Cb -0.14 -2.92 0.08 0.00 1.11 0.00 0.00 32.58 30.70 3i69 s HIS 8 CO 0.19 -0.47 1.03 0.98 -0.85 0.00 0.00 174.74 175.62 3i69 n TYR 9 N 5.78 -1.17 -1.47 1.40 9.36 -1.20 -2.37 117.16 127.48 3i69 n TYR 9 Ca -0.03 -1.14 -0.31 0.00 3.32 0.00 0.00 57.90 59.74 3i69 n TYR 9 Cb 0.49 0.55 0.07 0.00 -0.63 0.00 0.00 39.34 39.82 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 -2.23 2.82 -1.35 2.98 0.40 -1.26 -1.17 117.98 118.17 3i69 s PHE 10 Ca 0.23 1.50 -0.17 0.00 -0.60 0.00 0.00 56.93 57.89 3i69 s PHE 10 Cb -0.02 -2.99 0.06 0.00 0.51 0.00 0.00 43.02 40.58 3i69 s PHE 10 CO 0.04 -1.52 1.89 -1.71 0.70 0.00 0.00 175.22 174.62 3i69 n ASN 11 N -3.18 4.60 -1.89 1.36 5.15 -1.26 -4.83 115.26 115.21 3i69 n ASN 11 Ca 0.09 -2.90 0.01 0.00 -0.60 0.00 0.00 54.58 51.18 3i69 n ASN 11 Cb 0.53 -1.72 0.00 0.00 -0.53 0.00 0.00 39.78 38.06 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 4.98 0.36 0.00 8.20 0.00 -1.26 -5.04 105.19 112.43 3i69 n GLY 12 Ca 0.50 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.29 0.00 0.00 1.61 1.74 -1.26 -4.72 116.66 113.74 3i69 n ARG 13 Ca 0.02 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 3i69 n ARG 13 Cb 0.17 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 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 0.83 2.03 0.43 -0.13 0.00 -1.26 -1.43 105.19 105.67 3i69 n GLY 14 Ca 0.00 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 13.88 1.45 0.02 1.61 1.74 -1.26 -3.78 116.66 130.32 3i69 n ARG 15 Ca 0.00 -0.87 0.11 0.00 -0.77 0.00 0.00 57.85 56.32 3i69 n ARG 15 Cb 0.00 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 29.93 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 -0.01 0.27 -0.18 5.56 1.56 -0.91 -4.58 117.12 118.83 3i69 n MET 16 Ca 0.17 -0.03 -0.09 0.00 -0.27 0.00 0.00 57.70 57.48 3i69 n MET 16 Cb 0.36 -1.56 0.01 0.00 2.15 0.00 0.00 33.22 34.18 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 0.86 0.00 2.12 4.57 -1.34 -2.23 114.58 118.56 3i69 h GLU 17 Ca 0.00 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 57.86 3i69 h GLU 17 Cb 0.71 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 3i69 h GLU 17 CO 0.00 0.86 -0.36 0.66 -1.18 0.00 0.00 179.01 179.00 3i69 h SER 18 N 0.73 0.00 -0.25 1.04 4.64 -1.84 -1.06 113.55 116.82 3i69 h SER 18 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3i69 h SER 18 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3i69 h SER 18 CO 0.02 0.36 0.09 0.74 -0.87 0.00 0.00 176.83 177.16 3i69 h THR 19 N 0.00 1.18 0.60 2.95 2.02 -1.74 -0.84 112.91 117.09 3i69 h THR 19 Ca -0.00 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 3i69 h THR 19 Cb 0.81 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3i69 h THR 19 CO 0.05 0.18 -0.41 0.03 0.37 0.00 0.00 175.52 175.74 3i69 h ARG 20 N 0.25 -0.93 -0.94 6.66 3.08 -0.77 0.47 114.38 122.20 3i69 h ARG 20 Ca 0.08 0.06 0.30 0.00 0.07 0.00 0.00 59.98 60.50 3i69 h ARG 20 Cb 0.20 0.21 -0.17 0.00 0.08 0.00 0.00 29.97 30.28 3i69 h ARG 20 CO -0.01 -0.62 0.17 0.91 -1.07 0.00 0.00 179.97 179.35 3i69 n TRP 21 N -4.97 0.75 0.04 3.04 7.02 -0.47 -0.50 117.44 122.33 3i69 n TRP 21 Ca -0.12 1.13 -0.20 0.00 -1.02 0.00 0.00 57.50 57.29 3i69 n TRP 21 Cb 0.41 -1.30 -0.11 0.00 -2.42 0.00 0.00 31.31 27.89 3i69 n TRP 21 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3i69 h LEU 22 N 0.00 0.86 0.68 -0.99 5.85 -0.56 -0.55 115.31 120.60 3i69 h LEU 22 Ca 0.64 -0.74 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3i69 h LEU 22 Cb 1.46 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 42.23 3i69 h LEU 22 CO -0.84 1.49 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.36 3i69 h LEU 23 N 0.33 -0.77 -0.66 2.25 3.38 -0.30 -0.55 115.31 118.98 3i69 h LEU 23 Ca -0.12 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 57.98 3i69 h LEU 23 Cb 1.64 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 42.48 3i69 h LEU 23 CO 0.19 -0.45 0.05 0.00 0.09 0.00 0.00 178.44 178.33 3i69 h ALA 24 N -0.87 0.72 -0.90 1.53 0.00 -0.89 0.17 119.26 119.02 3i69 h ALA 24 Ca -0.09 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3i69 h ALA 24 Cb 0.73 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3i69 h ALA 24 CO 0.15 -0.38 0.58 0.00 0.00 0.00 0.00 179.25 179.60 3i69 h ALA 25 N 1.59 1.19 0.00 0.00 0.00 -1.05 -2.19 119.26 118.79 3i69 h ALA 25 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3i69 h ALA 25 Cb 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i69 h ALA 25 CO -0.53 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.14 3i69 n ALA 26 N -2.35 2.26 -1.00 0.00 0.00 0.52 -4.78 120.51 115.14 3i69 n ALA 26 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i69 n ALA 26 Cb 0.10 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 0.37 0.50 3.60 0.00 0.00 -0.75 -5.05 105.19 103.85 3i69 n GLY 27 Ca 0.15 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 4.44 0.73 1.61 1.01 -0.84 -5.02 120.40 120.33 3i69 s VAL 28 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 3i69 s VAL 28 Cb 0.00 -2.96 0.07 0.00 0.00 0.00 0.00 36.38 33.48 3i69 s VAL 28 CO 0.00 0.49 1.06 -1.61 0.00 0.00 0.00 175.10 175.04 3i69 s GLU 29 N 0.19 2.12 -0.17 2.72 2.02 -1.26 -3.81 118.70 120.51 3i69 s GLU 29 Ca 0.02 -0.17 -0.28 0.00 0.02 0.00 0.00 54.97 54.56 3i69 s GLU 29 Cb -0.13 -2.11 0.10 0.00 0.10 0.00 0.00 34.13 32.09 3i69 s GLU 29 CO 0.01 -1.34 0.85 -0.59 0.02 0.00 0.00 175.26 174.22 3i69 s PHE 30 N -3.34 -0.56 0.09 1.61 -0.12 -1.26 -4.31 117.98 110.08 3i69 s PHE 30 Ca 0.61 1.15 -0.26 0.00 -0.05 0.00 0.00 56.93 58.37 3i69 s PHE 30 Cb -0.11 0.38 -0.06 0.00 -0.63 0.00 0.00 43.02 42.61 3i69 s PHE 30 CO 0.46 -0.41 0.82 -1.21 -0.05 0.00 0.00 175.22 174.83 3i69 s GLU 31 N -0.56 4.57 -0.27 1.99 2.02 -0.28 -4.95 118.70 121.21 3i69 s GLU 31 Ca -0.03 1.19 -0.06 0.00 0.02 0.00 0.00 54.97 56.09 3i69 s GLU 31 Cb -0.02 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.86 3i69 s GLU 31 CO 0.02 0.32 0.04 -1.21 0.02 0.00 0.00 175.26 174.45 3i69 s GLU 32 N -0.24 3.20 -0.38 1.61 2.02 -1.26 0.09 118.70 123.74 3i69 s GLU 32 Ca 0.40 -0.77 -0.10 0.00 0.02 0.00 0.00 54.97 54.52 3i69 s GLU 32 Cb -0.22 -3.25 0.04 0.00 0.10 0.00 0.00 34.13 30.80 3i69 s GLU 32 CO 0.25 -0.35 0.21 0.21 0.02 0.00 0.00 175.26 175.60 3i69 s LYS 33 N 1.49 2.77 0.05 1.61 2.20 -0.68 -4.95 119.74 122.23 3i69 s LYS 33 Ca 0.03 -1.14 -0.22 0.00 -0.36 0.00 0.00 55.97 54.28 3i69 s LYS 33 Cb -0.16 -3.72 -0.06 0.00 -1.51 0.00 0.00 37.83 32.38 3i69 s LYS 33 CO 0.01 -0.74 0.64 -0.06 -0.36 0.00 0.00 175.35 174.85 3i69 s PHE 34 N 1.52 3.75 -0.71 4.03 0.08 -1.26 -3.24 117.98 122.15 3i69 s PHE 34 Ca 0.02 1.33 -0.21 0.00 0.12 0.00 0.00 56.93 58.18 3i69 s PHE 34 Cb -0.20 -2.64 0.09 0.00 -0.57 0.00 0.00 43.02 39.70 3i69 s PHE 34 CO 0.06 0.41 0.97 0.42 -0.10 0.00 0.00 175.22 176.99 3i69 s ILE 35 N -0.50 4.46 -0.00 0.64 1.01 -0.31 -4.88 121.20 121.61 3i69 s ILE 35 Ca 0.33 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.33 3i69 s ILE 35 Cb -0.20 -4.69 -0.25 0.00 0.01 0.00 0.00 42.46 37.34 3i69 s ILE 35 CO 0.20 -1.44 0.82 0.11 0.00 0.00 0.00 174.94 174.63 3i69 h LYS 36 N 9.38 0.12 -4.93 2.79 1.79 -1.95 -3.42 116.57 120.35 3i69 h LYS 36 Ca -0.19 -0.20 -0.40 0.00 -2.18 0.00 0.00 60.65 57.67 3i69 h LYS 36 Cb 1.06 0.08 -0.14 0.00 -1.58 0.00 0.00 32.23 31.65 3i69 h LYS 36 CO 1.16 0.89 -0.58 -1.54 -1.08 0.00 0.00 179.45 178.30 3i69 s SER 37 N -6.63 1.56 0.31 0.86 1.04 -1.26 -4.96 113.70 104.62 3i69 s SER 37 Ca -0.07 -1.47 0.01 0.00 0.48 0.00 0.00 55.95 54.90 3i69 s SER 37 Cb 0.08 0.26 0.52 0.00 0.10 0.00 0.00 66.02 66.97 3i69 s SER 37 CO 0.83 -0.80 1.90 0.00 0.98 0.00 0.00 173.24 176.16 3i69 h ALA 38 N 2.25 1.36 -0.28 5.32 0.00 -1.93 -2.99 119.26 122.98 3i69 h ALA 38 Ca -0.36 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 3i69 h ALA 38 Cb 1.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3i69 h ALA 38 CO 0.58 0.48 -0.45 0.93 0.00 0.00 0.00 179.25 180.79 3i69 h GLU 39 N 0.78 0.72 -0.66 0.00 3.07 -1.97 -2.70 114.58 113.84 3i69 h GLU 39 Ca 0.19 -0.40 0.11 0.00 -0.50 0.00 0.00 59.36 58.76 3i69 h GLU 39 Cb 0.15 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.00 3i69 h GLU 39 CO -0.02 1.02 0.23 -0.44 -1.40 0.00 0.00 179.01 178.40 3i69 h ASP 40 N 0.58 0.19 -0.19 1.42 3.32 -1.94 0.87 116.42 120.66 3i69 h ASP 40 Ca 0.04 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3i69 h ASP 40 Cb 1.00 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 3i69 h ASP 40 CO 0.10 0.10 0.02 0.25 -1.72 0.00 0.00 179.24 177.98 3i69 h LEU 41 N 0.39 0.31 -1.38 1.55 5.85 -1.50 -0.41 115.31 120.12 3i69 h LEU 41 Ca 0.34 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3i69 h LEU 41 Cb 0.48 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3i69 h LEU 41 CO -0.36 0.50 -0.09 0.44 -0.34 0.00 0.00 178.44 178.59 3i69 h ASP 42 N 0.11 0.28 -0.06 1.25 3.32 -1.07 0.09 116.42 120.35 3i69 h ASP 42 Ca 0.06 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i69 h ASP 42 Cb 0.33 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3i69 h ASP 42 CO 0.01 0.41 0.02 0.50 -1.72 0.00 0.00 179.24 178.46 3i69 h LYS 43 N 0.29 0.09 -0.38 3.56 1.63 0.12 0.35 116.57 122.22 3i69 h LYS 43 Ca 0.06 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 3i69 h LYS 43 Cb 0.35 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 3i69 h LYS 43 CO 0.02 0.24 0.16 -0.07 -3.45 0.00 0.00 179.45 176.35 3i69 h LEU 44 N -0.08 0.21 0.31 5.20 3.38 -0.74 -2.01 115.31 121.58 3i69 h LEU 44 Ca 0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3i69 h LEU 44 Cb 0.19 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3i69 h LEU 44 CO -0.00 0.16 -0.22 0.03 0.09 0.00 0.00 178.44 178.50 3i69 h ARG 45 N 0.34 -0.51 -0.70 1.13 3.08 -0.82 -2.96 114.38 113.94 3i69 h ARG 45 Ca 0.17 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.41 3i69 h ARG 45 Cb 0.12 0.12 -0.11 0.00 0.08 0.00 0.00 29.97 30.17 3i69 h ARG 45 CO -0.15 -0.34 0.10 -0.91 -1.07 0.00 0.00 179.97 177.60 3i69 h ASN 46 N -0.53 -0.13 0.00 7.04 4.21 -0.13 -0.40 115.58 125.64 3i69 h ASN 46 Ca -0.02 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.64 3i69 h ASN 46 Cb 0.45 0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 3i69 h ASN 46 CO 0.01 -0.08 0.00 0.47 -1.29 0.00 0.00 177.43 176.53 3i69 n ASP 47 N -5.22 0.00 -2.04 5.81 8.00 -0.77 -4.84 116.55 117.49 3i69 n ASP 47 Ca 0.12 -0.95 -0.19 0.00 0.71 0.00 0.00 54.79 54.48 3i69 n ASP 47 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.03 0.13 0.03 0.44 0.00 -0.16 -4.88 105.19 100.77 3i69 n GLY 48 Ca 0.02 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.64 0.27 -3.71 1.61 4.01 -1.22 -4.76 117.16 109.73 3i69 n TYR 49 Ca -0.22 0.08 -0.38 0.00 -0.16 0.00 0.00 57.90 57.22 3i69 n TYR 49 Cb 0.67 -0.44 -0.11 0.00 -0.31 0.00 0.00 39.34 39.15 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 -3.95 5.40 0.26 7.72 1.43 -1.26 -4.86 118.68 123.41 3i69 s LEU 50 Ca 0.04 -2.00 -0.03 0.00 -1.03 0.00 0.00 54.13 51.10 3i69 s LEU 50 Cb 0.14 -1.89 0.52 0.00 0.03 0.00 0.00 46.19 45.00 3i69 s LEU 50 CO 0.80 -0.59 1.68 -0.03 0.23 0.00 0.00 176.35 178.44 3i69 h MET 51 N 8.17 0.25 -0.53 1.70 1.85 -1.87 -0.54 114.93 123.96 3i69 h MET 51 Ca -0.15 -0.02 -0.29 0.00 -0.61 0.00 0.00 59.70 58.63 3i69 h MET 51 Cb 1.05 -0.06 -0.17 0.00 0.43 0.00 0.00 31.60 32.86 3i69 h MET 51 CO 0.75 0.17 0.08 1.19 -0.40 0.00 0.00 176.91 178.70 3i69 n PHE 52 N -5.17 1.66 -3.74 1.39 3.72 -1.26 -4.95 117.46 109.11 3i69 n PHE 52 Ca 0.16 -1.75 -0.29 0.00 -0.05 0.00 0.00 57.45 55.52 3i69 n PHE 52 Cb 0.51 -0.63 0.01 0.00 -0.94 0.00 0.00 39.48 38.44 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 -1.11 -4.46 -3.88 -1.08 1.13 -0.21 -4.94 117.38 102.83 3i69 n GLN 53 Ca 0.41 0.55 -0.11 0.00 -1.94 0.00 0.00 57.00 55.90 3i69 n GLN 53 Cb 1.16 -5.36 -0.11 0.00 0.11 0.00 0.00 30.24 26.04 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 -6.43 0.32 0.11 -1.09 -0.21 -1.26 -5.05 119.66 106.05 3i69 s GLN 54 Ca 0.58 -0.23 0.03 0.00 0.02 0.00 0.00 55.36 55.75 3i69 s GLN 54 Cb -0.30 0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.81 3i69 s GLN 54 CO 0.71 -0.07 0.18 0.14 -2.12 0.00 0.00 175.29 174.13 3i69 s VAL 55 N -0.86 4.95 0.34 1.09 -7.23 -1.26 -4.50 120.40 112.92 3i69 s VAL 55 Ca -0.09 -0.72 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 3i69 s VAL 55 Cb -0.06 -3.47 -0.10 0.00 0.56 0.00 0.00 36.38 33.31 3i69 s VAL 55 CO 0.01 0.02 1.32 -2.84 -0.31 0.00 0.00 175.10 173.29 3i69 s PRO 56 N -2.81 4.33 0.00 4.82 0.02 -1.26 -5.00 135.00 135.10 3i69 s PRO 56 Ca 0.32 2.25 0.04 0.00 0.02 0.00 0.00 61.00 63.63 3i69 s PRO 56 Cb -0.12 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 3i69 s PRO 56 CO 0.26 -0.22 -0.13 1.41 -0.33 0.00 0.00 177.00 177.98 3i69 s MET 57 N -1.83 0.99 -0.01 5.54 1.75 -1.00 -3.79 119.30 120.95 3i69 s MET 57 Ca 0.49 -0.52 0.00 0.00 -1.25 0.00 0.00 55.69 54.41 3i69 s MET 57 Cb -0.40 -0.96 0.01 0.00 2.84 0.00 0.00 34.83 36.32 3i69 s MET 57 CO 0.54 0.26 0.00 0.08 -0.65 0.00 0.00 175.02 175.25 3i69 s VAL 58 N -0.44 0.09 -0.15 10.11 1.01 -0.65 -0.73 120.40 129.64 3i69 s VAL 58 Ca 0.04 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 3i69 s VAL 58 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3i69 s VAL 58 CO -0.00 0.08 0.35 -1.61 0.00 0.00 0.00 175.10 173.92 3i69 s GLU 59 N 0.55 4.27 -0.29 2.72 2.02 -0.98 -2.08 118.70 124.91 3i69 s GLU 59 Ca -0.05 0.20 -0.17 0.00 0.02 0.00 0.00 54.97 54.97 3i69 s GLU 59 Cb -0.07 -3.44 0.12 0.00 0.10 0.00 0.00 34.13 30.84 3i69 s GLU 59 CO -0.01 0.18 0.89 -1.50 0.02 0.00 0.00 175.26 174.84 3i69 s ILE 60 N 0.62 0.00 -1.47 -1.63 2.07 -0.94 -2.46 121.20 117.37 3i69 s ILE 60 Ca 0.19 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.40 3i69 s ILE 60 Cb -0.14 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.48 3i69 s ILE 60 CO 0.06 0.00 0.46 0.47 -1.91 0.00 0.00 174.94 174.02 3i69 n ASP 61 N 3.77 -0.80 0.00 4.50 8.00 -1.26 -1.86 116.55 128.90 3i69 n ASP 61 Ca -0.19 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.29 3i69 n ASP 61 Cb 0.58 -2.89 0.00 0.00 -0.02 0.00 0.00 41.12 38.79 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 -1.93 2.39 3.94 0.44 0.00 -1.26 -5.01 105.19 103.76 3i69 n GLY 62 Ca -0.24 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 2.67 -0.60 1.61 -1.94 -0.78 -5.05 119.30 115.21 3i69 s MET 63 Ca 0.00 -0.28 0.05 0.00 -1.71 0.00 0.00 55.69 53.74 3i69 s MET 63 Cb 0.00 -2.32 0.17 0.00 2.01 0.00 0.00 34.83 34.69 3i69 s MET 63 CO 0.00 -0.80 0.44 0.15 -0.01 0.00 0.00 175.02 174.80 3i69 s LYS 64 N -4.96 1.89 0.21 2.03 1.02 -1.26 -2.22 119.74 116.43 3i69 s LYS 64 Ca 0.55 -2.89 -0.30 0.00 0.02 0.00 0.00 55.97 53.36 3i69 s LYS 64 Cb -0.10 -2.68 -0.09 0.00 -0.52 0.00 0.00 37.83 34.44 3i69 s LYS 64 CO 0.43 -1.32 1.23 -0.51 -0.92 0.00 0.00 175.35 174.26 3i69 s LEU 65 N -0.89 4.44 0.47 3.17 1.43 -0.88 -4.82 118.68 121.60 3i69 s LEU 65 Ca 0.28 2.32 0.04 0.00 -1.03 0.00 0.00 54.13 55.74 3i69 s LEU 65 Cb -0.02 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 3i69 s LEU 65 CO -0.18 -0.41 0.11 0.68 0.23 0.00 0.00 176.35 176.78 3i69 s VAL 66 N -0.15 1.66 0.01 -1.59 -7.23 -1.26 -1.63 120.40 110.21 3i69 s VAL 66 Ca 0.53 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 3i69 s VAL 66 Cb -0.34 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.08 3i69 s VAL 66 CO 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.17 3i69 n GLN 67 N -1.28 -1.87 -0.30 4.82 1.13 -1.25 -4.33 117.38 114.30 3i69 n GLN 67 Ca -0.09 1.68 -0.06 0.00 -1.94 0.00 0.00 57.00 56.58 3i69 n GLN 67 Cb 0.66 -1.98 -0.04 0.00 0.11 0.00 0.00 30.24 28.99 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 0.66 -0.47 0.40 5.09 -1.04 -1.26 -0.32 114.28 117.33 3i69 n THR 68 Ca 0.00 1.76 0.13 0.00 -2.04 0.00 0.00 64.05 63.90 3i69 n THR 68 Cb 0.00 -2.22 0.51 0.00 -1.82 0.00 0.00 70.33 66.80 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 0.00 0.00 -2.82 3.08 -1.97 0.14 114.38 112.81 3i69 h ARG 69 Ca 0.16 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3i69 h ARG 69 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3i69 h ARG 69 CO -0.70 0.00 -0.00 0.00 -1.07 0.00 0.00 179.97 178.20 3i69 h ALA 70 N 2.25 -0.00 -0.24 0.04 0.00 -0.89 -1.23 119.26 119.18 3i69 h ALA 70 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.48 3i69 h ALA 70 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 3i69 h ALA 70 CO 0.00 -0.00 -0.35 0.82 0.00 0.00 0.00 179.25 179.72 3i69 h ILE 71 N -1.00 0.22 0.13 0.00 2.04 -1.22 -0.93 117.51 116.76 3i69 h ILE 71 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3i69 h ILE 71 Cb 0.98 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3i69 h ILE 71 CO 0.00 0.00 -0.06 -0.07 0.00 0.00 0.00 178.15 178.02 3i69 h LEU 72 N -0.36 -0.15 -1.89 1.44 3.38 -0.84 -2.63 115.31 114.26 3i69 h LEU 72 Ca 0.12 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i69 h LEU 72 Cb 0.56 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3i69 h LEU 72 CO -0.44 -0.07 0.02 0.78 0.09 0.00 0.00 178.44 178.82 3i69 h ASN 73 N -0.21 0.08 0.29 -0.43 2.35 -1.00 -0.62 115.58 116.04 3i69 h ASN 73 Ca -0.02 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3i69 h ASN 73 Cb 0.17 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3i69 h ASN 73 CO 0.03 0.08 -0.14 0.22 -1.65 0.00 0.00 177.43 175.97 3i69 h TYR 74 N 0.09 -0.36 -0.53 1.19 3.20 -1.01 -2.69 116.97 116.87 3i69 h TYR 74 Ca 0.02 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 3i69 h TYR 74 Cb 0.03 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3i69 h TYR 74 CO 0.00 -0.01 0.32 0.82 -1.64 0.00 0.00 178.16 177.66 3i69 h ILE 75 N -0.82 1.08 -0.77 1.81 2.04 -1.18 -0.08 117.51 119.59 3i69 h ILE 75 Ca -0.04 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.66 3i69 h ILE 75 Cb 0.51 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 3i69 h ILE 75 CO 0.07 0.12 0.45 0.00 0.00 0.00 0.00 178.15 178.79 3i69 h ALA 76 N 1.22 1.05 0.12 1.87 0.00 -1.18 -2.07 119.26 120.27 3i69 h ALA 76 Ca 0.21 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.83 3i69 h ALA 76 Cb -0.01 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.63 3i69 h ALA 76 CO -0.08 0.16 -1.23 1.03 0.00 0.00 0.00 179.25 179.13 3i69 h SER 77 N 0.83 0.74 -0.65 0.00 0.87 -1.16 0.35 113.55 114.52 3i69 h SER 77 Ca 0.34 -0.70 0.09 0.00 -1.23 0.00 0.00 61.79 60.30 3i69 h SER 77 Cb 0.20 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 61.85 3i69 h SER 77 CO -0.18 1.52 0.28 0.50 -0.53 0.00 0.00 176.83 178.41 3i69 h LYS 78 N 0.22 0.46 -0.79 2.24 3.64 -0.72 -3.10 116.57 118.52 3i69 h LYS 78 Ca -0.17 -0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 58.68 3i69 h LYS 78 Cb 1.91 -0.10 -0.28 0.00 -0.41 0.00 0.00 32.23 33.34 3i69 h LYS 78 CO 0.23 0.31 0.22 0.66 -2.27 0.00 0.00 179.45 178.59 3i69 n TYR 79 N -4.95 2.59 -1.81 1.91 4.01 -0.81 -4.93 117.16 113.18 3i69 n TYR 79 Ca 0.10 -2.32 -0.20 0.00 -0.16 0.00 0.00 57.90 55.31 3i69 n TYR 79 Cb 0.28 -0.89 -0.07 0.00 -0.31 0.00 0.00 39.34 38.35 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 -0.96 -5.53 -1.57 7.72 3.02 -1.17 -4.86 115.26 111.90 3i69 n ASN 80 Ca 0.51 0.36 0.08 0.00 -0.03 0.00 0.00 54.58 55.50 3i69 n ASN 80 Cb 0.99 -4.74 0.36 0.00 -0.61 0.00 0.00 39.78 35.77 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 -2.47 4.93 -1.11 3.41 4.77 0.12 -4.29 117.00 122.36 3i69 n LEU 81 Ca -0.21 -2.66 0.04 0.00 -0.03 0.00 0.00 56.01 53.15 3i69 n LEU 81 Cb 0.67 -0.60 0.26 0.00 -2.33 0.00 0.00 43.42 41.42 3i69 n LEU 81 CO 0.30 0.73 0.75 0.00 -1.33 0.00 0.00 177.39 177.85 3i69 n TYR 82 N 0.73 1.20 -2.75 -1.77 4.19 -0.95 -1.12 117.16 116.70 3i69 n TYR 82 Ca 0.25 -1.05 0.01 0.00 3.31 0.00 0.00 57.90 60.42 3i69 n TYR 82 Cb 0.98 -0.40 -0.00 0.00 0.49 0.00 0.00 39.34 40.40 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 -0.55 -2.03 0.07 2.98 0.00 -1.26 -4.39 105.19 100.01 3i69 n GLY 83 Ca 0.26 -1.40 -0.06 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.75 1.45 -4.31 1.61 2.85 -1.26 -5.01 118.16 112.74 3i69 n LYS 84 Ca 0.00 -0.02 -0.23 0.00 -1.05 0.00 0.00 58.31 57.01 3i69 n LYS 84 Cb 0.04 -1.38 -0.07 0.00 -0.65 0.00 0.00 35.03 32.96 3i69 n LYS 84 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3i69 n ASP 85 N -2.50 0.53 -0.11 -5.58 5.68 -1.26 -5.05 116.55 108.25 3i69 n ASP 85 Ca -0.22 -3.15 -0.07 0.00 -0.50 0.00 0.00 54.79 50.84 3i69 n ASP 85 Cb 0.92 1.25 0.09 0.00 -1.14 0.00 0.00 41.12 42.24 3i69 n ASP 85 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3i69 h ILE 86 N 1.81 1.26 0.00 2.12 2.10 -1.97 -2.47 117.51 120.36 3i69 h ILE 86 Ca -0.28 -1.24 -0.07 0.00 1.08 0.00 0.00 64.86 64.35 3i69 h ILE 86 Cb 1.19 1.07 -0.01 0.00 -1.09 0.00 0.00 36.82 37.99 3i69 h ILE 86 CO 0.44 0.42 -0.32 0.11 -1.08 0.00 0.00 178.15 177.72 3i69 h LYS 87 N 0.74 0.00 -0.04 2.19 1.57 -2.00 -1.03 116.57 118.01 3i69 h LYS 87 Ca 0.12 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.70 3i69 h LYS 87 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 3i69 h LYS 87 CO 0.05 0.32 -0.82 0.93 -0.57 0.00 0.00 179.45 179.36 3i69 h GLU 88 N 0.00 0.39 -0.48 3.15 5.08 -1.91 -3.10 114.58 117.70 3i69 h GLU 88 Ca -0.00 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 3i69 h GLU 88 Cb 0.72 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3i69 h GLU 88 CO 0.04 1.02 0.03 0.00 -1.00 0.00 0.00 179.01 179.09 3i69 h ARG 89 N 0.24 0.83 -0.05 2.33 3.08 -0.96 0.20 114.38 120.06 3i69 h ARG 89 Ca -0.05 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 59.79 3i69 h ARG 89 Cb 1.42 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.33 3i69 h ARG 89 CO 0.14 0.86 -0.38 0.00 -1.07 0.00 0.00 179.97 179.52 3i69 h ALA 90 N 0.94 -0.56 -0.37 0.04 0.00 -1.25 0.58 119.26 118.63 3i69 h ALA 90 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i69 h ALA 90 Cb 0.47 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3i69 h ALA 90 CO 0.02 -0.89 0.24 -0.07 0.00 0.00 0.00 179.25 178.54 3i69 h LEU 91 N -0.51 0.44 -0.33 0.00 3.38 -1.51 -0.84 115.31 115.95 3i69 h LEU 91 Ca 0.06 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3i69 h LEU 91 Cb 0.61 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3i69 h LEU 91 CO -0.33 0.34 -0.04 0.40 0.09 0.00 0.00 178.44 178.91 3i69 h ILE 92 N 0.50 0.72 -0.38 1.22 2.04 0.01 -0.58 117.51 121.04 3i69 h ILE 92 Ca 0.14 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3i69 h ILE 92 Cb -0.03 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3i69 h ILE 92 CO -0.03 0.01 0.16 0.44 0.00 0.00 0.00 178.15 178.73 3i69 h ASP 93 N 0.05 0.52 -0.10 1.72 3.32 0.24 -0.69 116.42 121.47 3i69 h ASP 93 Ca 0.16 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3i69 h ASP 93 Cb 0.23 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3i69 h ASP 93 CO -0.30 0.53 -0.13 -0.03 -1.72 0.00 0.00 179.24 177.59 3i69 h MET 94 N 0.47 -0.16 0.51 3.56 4.05 -0.70 0.16 114.93 122.82 3i69 h MET 94 Ca 0.13 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 3i69 h MET 94 Cb 0.17 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 3i69 h MET 94 CO -0.01 -0.11 -0.34 1.88 0.23 0.00 0.00 176.91 178.56 3i69 h TYR 95 N -0.17 -0.90 0.00 1.39 0.05 -1.00 -2.85 116.97 113.50 3i69 h TYR 95 Ca 0.08 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 3i69 h TYR 95 Cb 0.28 0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 3i69 h TYR 95 CO -0.24 -0.51 -0.31 -0.84 -1.05 0.00 0.00 178.16 175.22 3i69 h ILE 96 N -0.81 0.92 0.00 -2.88 3.07 -0.78 -1.67 117.51 115.36 3i69 h ILE 96 Ca -0.06 -1.18 -0.10 0.00 1.55 0.00 0.00 64.86 65.07 3i69 h ILE 96 Cb 0.67 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 38.90 3i69 h ILE 96 CO 0.04 0.30 -0.49 -0.33 -1.05 0.00 0.00 178.15 176.62 3i69 h GLU 97 N 0.00 0.00 -0.11 0.16 4.39 -0.60 -0.92 114.58 117.50 3i69 h GLU 97 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3i69 h GLU 97 Cb 0.67 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 3i69 h GLU 97 CO 0.04 0.49 -0.03 0.78 -1.16 0.00 0.00 179.01 179.13 3i69 h GLY 98 N 1.98 0.23 0.27 -3.84 0.00 -1.07 -0.96 103.07 99.68 3i69 h GLY 98 Ca -0.00 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.21 3i69 h GLY 98 CO 0.06 0.17 -0.12 -2.22 0.00 0.00 0.00 176.54 174.43 3i69 h ILE 99 N -0.11 0.59 -0.89 2.60 2.04 -1.37 -0.19 117.51 120.18 3i69 h ILE 99 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3i69 h ILE 99 Cb 0.44 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3i69 h ILE 99 CO 0.01 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.75 3i69 h ALA 100 N 1.22 1.37 -0.04 1.87 0.00 -1.06 0.94 119.26 123.58 3i69 h ALA 100 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i69 h ALA 100 Cb 0.31 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i69 h ALA 100 CO -0.36 0.58 0.02 -0.44 0.00 0.00 0.00 179.25 179.04 3i69 h ASP 101 N 1.20 0.04 0.03 0.00 3.32 -0.51 0.01 116.42 120.51 3i69 h ASP 101 Ca 0.33 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 3i69 h ASP 101 Cb -0.12 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3i69 h ASP 101 CO -0.08 0.04 -0.02 0.25 -1.72 0.00 0.00 179.24 177.72 3i69 h LEU 102 N 0.04 -0.04 -1.89 1.55 5.85 -0.32 -2.89 115.31 117.61 3i69 h LEU 102 Ca 0.01 -0.10 0.35 0.00 0.84 0.00 0.00 57.88 58.98 3i69 h LEU 102 Cb 0.01 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3i69 h LEU 102 CO -0.00 0.08 0.85 1.23 -0.34 0.00 0.00 178.44 180.26 3i69 h GLY 103 N -0.15 0.21 1.33 3.75 0.00 0.12 -1.86 103.07 106.48 3i69 h GLY 103 Ca -0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 3i69 h GLY 103 CO 0.01 -0.03 -0.12 -2.09 0.00 0.00 0.00 176.54 174.31 3i69 h GLU 104 N 0.06 0.79 -0.06 4.80 4.57 -0.77 -2.32 114.58 121.66 3i69 h GLU 104 Ca 0.59 -0.27 -0.15 0.00 -1.18 0.00 0.00 59.36 58.36 3i69 h GLU 104 Cb 2.23 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 30.77 3i69 h GLU 104 CO -0.06 0.87 -0.54 0.52 -1.18 0.00 0.00 179.01 178.62 3i69 h MET 105 N 0.71 0.47 -0.10 1.92 2.86 -1.43 -2.94 114.93 116.42 3i69 h MET 105 Ca 0.12 -0.43 0.04 0.00 -2.06 0.00 0.00 59.70 57.37 3i69 h MET 105 Cb 0.60 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.31 3i69 h MET 105 CO 0.04 1.07 -0.30 0.82 1.06 0.00 0.00 176.91 179.60 3i69 h ILE 106 N 0.02 0.32 0.00 -1.22 2.04 -1.59 -0.55 117.51 116.52 3i69 h ILE 106 Ca -0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3i69 h ILE 106 Cb 1.21 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3i69 h ILE 106 CO 0.11 0.00 -0.20 0.40 0.00 0.00 0.00 178.15 178.46 3i69 h ILE 107 N -0.39 1.04 0.00 -0.67 2.04 -1.47 -2.33 117.51 115.73 3i69 h ILE 107 Ca 0.09 -0.70 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 3i69 h ILE 107 Cb 0.53 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3i69 h ILE 107 CO -0.32 0.19 -0.72 0.24 0.00 0.00 0.00 178.15 177.54 3i69 h MET 108 N 0.00 0.00 -0.78 2.37 2.86 -1.37 -3.41 114.93 114.61 3i69 h MET 108 Ca -0.00 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.78 3i69 h MET 108 Cb 0.37 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.89 3i69 h MET 108 CO 0.03 0.48 -0.26 1.25 1.06 0.00 0.00 176.91 179.47 3i69 h LEU 109 N 0.00 -0.93 0.00 1.22 5.85 -0.51 0.20 115.31 121.14 3i69 h LEU 109 Ca -0.04 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3i69 h LEU 109 Cb 1.45 0.55 0.00 0.00 0.37 0.00 0.00 40.66 43.03 3i69 h LEU 109 CO 0.06 -0.28 0.00 -2.65 -0.34 0.00 0.00 178.44 175.24 3i69 n PRO 110 N -5.50 0.31 -1.07 5.25 -0.02 -1.26 -2.02 135.00 130.69 3i69 n PRO 110 Ca 0.10 0.10 -0.14 0.00 -2.02 0.00 0.00 63.50 61.53 3i69 n PRO 110 Cb 0.40 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.60 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 -1.22 2.51 -3.54 6.00 3.01 0.71 -5.00 117.46 119.93 3i69 n PHE 111 Ca 0.09 -1.57 -0.25 0.00 1.01 0.00 0.00 57.45 56.73 3i69 n PHE 111 Cb 0.12 -0.78 -0.02 0.00 -0.01 0.00 0.00 39.48 38.79 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 -3.88 1.22 0.10 0.00 0.02 -1.26 -4.87 135.00 126.33 3i69 s PRO 113 Ca 0.39 1.05 -0.32 0.00 0.02 0.00 0.00 61.00 62.14 3i69 s PRO 113 Cb -0.10 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.50 3i69 s PRO 113 CO 0.32 -2.33 1.59 -1.35 -0.33 0.00 0.00 177.00 174.91 3i69 h PRO 114 N -1.62 -0.73 0.00 5.54 0.11 -2.00 -2.72 132.00 130.57 3i69 h PRO 114 Ca -0.48 0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 3i69 h PRO 114 Cb 1.27 0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.54 3i69 h PRO 114 CO 0.51 -0.49 -0.17 1.49 -0.21 0.00 0.00 178.00 179.13 3i69 h GLU 115 N -0.76 0.00 -0.00 1.05 4.81 -2.05 -2.80 114.58 114.83 3i69 h GLU 115 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3i69 h GLU 115 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3i69 h GLU 115 CO -0.13 0.17 -0.43 0.39 -0.73 0.00 0.00 179.01 178.28 3i69 n GLU 116 N -3.69 0.15 -0.16 1.92 1.02 -1.10 -4.11 120.64 114.67 3i69 n GLU 116 Ca -0.02 -0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.94 3i69 n GLU 116 Cb 0.29 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.21 0.81 -0.63 3.49 1.57 -1.20 -1.32 116.57 119.50 3i69 h LYS 117 Ca 0.00 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3i69 h LYS 117 Cb 0.50 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3i69 h LYS 117 CO 0.00 0.88 0.28 -0.44 -0.57 0.00 0.00 179.45 179.60 3i69 h ASP 118 N 0.66 0.84 0.03 0.86 3.32 -1.74 -1.41 116.42 118.97 3i69 h ASP 118 Ca 0.13 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3i69 h ASP 118 Cb 0.52 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3i69 h ASP 118 CO 0.03 0.75 -0.04 0.00 -1.72 0.00 0.00 179.24 178.26 3i69 h ALA 119 N 1.12 -0.06 -0.20 3.45 0.00 -1.72 -2.81 119.26 119.04 3i69 h ALA 119 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3i69 h ALA 119 Cb 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3i69 h ALA 119 CO -0.02 -0.54 0.09 0.87 0.00 0.00 0.00 179.25 179.64 3i69 h LYS 120 N -0.08 0.19 -0.60 0.00 1.57 -0.92 -1.40 116.57 115.34 3i69 h LYS 120 Ca 0.01 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3i69 h LYS 120 Cb 0.09 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3i69 h LYS 120 CO -0.02 0.13 0.22 1.25 -0.57 0.00 0.00 179.45 180.46 3i69 h LEU 121 N 0.20 0.84 -1.00 2.94 5.85 -1.33 -0.09 115.31 122.71 3i69 h LEU 121 Ca 0.08 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3i69 h LEU 121 Cb 0.03 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3i69 h LEU 121 CO -0.07 0.79 0.41 0.00 -0.34 0.00 0.00 178.44 179.23 3i69 h ALA 122 N 1.08 1.23 -0.15 1.25 0.00 -1.40 -2.06 119.26 119.21 3i69 h ALA 122 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i69 h ALA 122 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i69 h ALA 122 CO -0.01 0.61 0.04 1.25 0.00 0.00 0.00 179.25 181.13 3i69 h LEU 123 N 1.11 0.23 -0.09 0.00 5.85 -0.73 -1.82 115.31 119.86 3i69 h LEU 123 Ca 0.28 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3i69 h LEU 123 Cb 0.07 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3i69 h LEU 123 CO -0.04 0.40 -0.06 0.40 -0.34 0.00 0.00 178.44 178.80 3i69 h ILE 124 N 0.06 0.82 -0.52 4.05 2.04 -0.84 -1.63 117.51 121.49 3i69 h ILE 124 Ca 0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.00 3i69 h ILE 124 Cb 0.25 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 3i69 h ILE 124 CO 0.00 0.00 0.12 0.11 0.00 0.00 0.00 178.15 178.38 3i69 h LYS 125 N -0.06 0.25 -0.71 2.37 1.57 -1.37 -0.86 116.57 117.77 3i69 h LYS 125 Ca 0.05 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 3i69 h LYS 125 Cb 0.14 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 3i69 h LYS 125 CO -0.12 0.17 0.35 1.49 -0.57 0.00 0.00 179.45 180.77 3i69 h GLU 126 N 0.26 0.58 -0.09 3.15 4.22 -0.62 -1.80 114.58 120.28 3i69 h GLU 126 Ca 0.26 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.52 3i69 h GLU 126 Cb 0.35 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3i69 h GLU 126 CO -0.33 0.38 -0.59 0.87 -2.18 0.00 0.00 179.01 177.16 3i69 h LYS 127 N 0.60 0.29 -0.11 1.92 1.57 -0.50 -1.62 116.57 118.71 3i69 h LYS 127 Ca 0.35 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3i69 h LYS 127 Cb 0.38 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3i69 h LYS 127 CO -0.27 0.80 0.06 0.82 -0.57 0.00 0.00 179.45 180.28 3i69 h ILE 128 N 0.21 1.08 0.03 1.86 2.04 -0.38 0.17 117.51 122.52 3i69 h ILE 128 Ca -0.00 -0.21 -0.23 0.00 1.00 0.00 0.00 64.86 65.41 3i69 h ILE 128 Cb 1.10 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3i69 h ILE 128 CO 0.09 0.07 -1.00 0.11 0.00 0.00 0.00 178.15 177.43 3i69 h LYS 129 N 0.09 0.34 0.00 2.37 1.57 -1.32 -1.46 116.57 118.16 3i69 h LYS 129 Ca 0.04 -0.40 -0.18 0.00 -1.87 0.00 0.00 60.65 58.24 3i69 h LYS 129 Cb 0.06 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3i69 h LYS 129 CO -0.01 1.10 -2.07 0.09 -0.57 0.00 0.00 179.45 178.00 3i69 n ASN 130 N -3.68 0.61 -0.01 0.86 3.02 -0.62 -4.44 115.26 111.00 3i69 n ASN 130 Ca -0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.46 3i69 n ASN 130 Cb 0.87 1.36 -0.01 0.00 -0.61 0.00 0.00 39.78 41.40 3i69 n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3i69 n ARG 131 N -2.44 0.15 -0.09 3.52 0.63 0.48 -4.79 116.66 114.13 3i69 n ARG 131 Ca -0.17 0.06 -0.18 0.00 -0.92 0.00 0.00 57.85 56.64 3i69 n ARG 131 Cb 0.82 -0.67 -0.11 0.00 0.45 0.00 0.00 32.46 32.95 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 -0.29 0.00 -0.31 -0.14 0.05 -1.36 -3.13 116.97 111.78 3i69 h TYR 132 Ca 0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 3i69 h TYR 132 Cb 0.29 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 3i69 h TYR 132 CO -0.13 1.21 0.06 0.74 -1.05 0.00 0.00 178.16 179.00 3i69 h PHE 133 N -1.00 0.10 -0.98 4.88 -1.00 -1.49 -1.51 116.94 115.94 3i69 h PHE 133 Ca -0.20 0.02 0.17 0.00 2.81 0.00 0.00 57.97 60.76 3i69 h PHE 133 Cb 1.13 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.60 3i69 h PHE 133 CO 0.14 0.02 0.61 -1.35 -1.61 0.00 0.00 178.31 176.12 3i69 h PRO 134 N 0.17 0.77 -0.02 1.51 0.11 -1.74 0.11 132.00 132.91 3i69 h PRO 134 Ca 0.15 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.04 3i69 h PRO 134 Cb 0.16 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3i69 h PRO 134 CO -0.20 0.51 -0.75 0.00 -0.21 0.00 0.00 178.00 177.35 3i69 h ALA 135 N 1.60 0.69 0.00 -0.75 0.00 -1.25 0.21 119.26 119.77 3i69 h ALA 135 Ca 0.53 -0.65 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 3i69 h ALA 135 Cb 0.79 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3i69 h ALA 135 CO -0.31 0.85 -1.10 0.74 0.00 0.00 0.00 179.25 179.43 3i69 h PHE 136 N 0.11 0.00 -0.04 0.00 0.04 -0.91 -2.37 116.94 113.76 3i69 h PHE 136 Ca -0.02 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.76 3i69 h PHE 136 Cb 1.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.46 3i69 h PHE 136 CO 0.02 0.95 -0.03 1.49 -0.60 0.00 0.00 178.31 180.14 3i69 h GLU 137 N 0.00 -0.02 -0.50 1.51 4.57 -0.50 -1.75 114.58 117.89 3i69 h GLU 137 Ca -0.06 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3i69 h GLU 137 Cb 1.78 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 30.33 3i69 h GLU 137 CO 0.11 -0.02 0.24 -0.22 -1.18 0.00 0.00 179.01 177.94 3i69 h LYS 138 N -0.02 0.45 -0.00 1.92 3.64 -0.58 0.48 116.57 122.45 3i69 h LYS 138 Ca 0.03 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3i69 h LYS 138 Cb 0.06 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3i69 h LYS 138 CO -0.06 0.30 -0.11 0.28 -2.27 0.00 0.00 179.45 177.58 3i69 h VAL 139 N 0.46 0.72 -0.28 2.00 2.07 -1.30 0.48 116.25 120.40 3i69 h VAL 139 Ca 0.23 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.69 3i69 h VAL 139 Cb 0.16 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3i69 h VAL 139 CO -0.18 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.28 3i69 h LEU 140 N -0.19 0.43 -0.31 2.57 3.38 -0.70 -2.50 115.31 117.99 3i69 h LEU 140 Ca 0.04 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 3i69 h LEU 140 Cb 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i69 h LEU 140 CO -0.11 0.54 -0.70 0.50 0.09 0.00 0.00 178.44 178.76 3i69 h LYS 141 N 0.43 0.66 0.01 1.13 3.64 -0.63 0.14 116.57 121.95 3i69 h LYS 141 Ca 0.09 -0.50 0.02 0.00 -1.27 0.00 0.00 60.65 58.99 3i69 h LYS 141 Cb 0.39 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 3i69 h LYS 141 CO 0.02 1.12 -0.10 0.66 -2.27 0.00 0.00 179.45 178.87 3i69 h SER 142 N 0.47 -0.29 0.33 4.20 4.64 -0.44 -2.92 113.55 119.54 3i69 h SER 142 Ca -0.03 0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 61.01 3i69 h SER 142 Cb 1.29 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 3i69 h SER 142 CO 0.14 -0.15 -1.69 1.12 -0.87 0.00 0.00 176.83 175.38 3i69 h HIS 143 N -0.18 0.50 -0.32 4.77 2.07 -1.70 -3.49 115.15 116.80 3i69 h HIS 143 Ca 0.03 -0.36 -0.09 0.00 -2.85 0.00 0.00 60.37 57.10 3i69 h HIS 143 Cb 0.22 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 30.15 3i69 h HIS 143 CO -0.16 1.50 -0.09 0.41 -3.07 0.00 0.00 177.93 176.52 3i69 n GLY 144 N 1.77 0.59 4.01 6.13 0.00 0.48 -5.04 105.19 113.13 3i69 n GLY 144 Ca -0.21 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.84 1.87 0.46 1.61 -0.21 -1.25 -5.01 119.66 114.28 3i69 s GLN 145 Ca 0.00 -1.32 0.24 0.00 0.02 0.00 0.00 55.36 54.31 3i69 s GLN 145 Cb 0.00 -2.44 1.06 0.00 1.00 0.00 0.00 33.01 32.63 3i69 s GLN 145 CO 0.00 -1.27 1.89 -0.44 -2.12 0.00 0.00 175.29 173.36 3i69 h ASP 146 N -0.30 0.00 -4.50 5.90 3.32 -1.94 -3.47 116.42 115.43 3i69 h ASP 146 Ca -0.34 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.47 3i69 h ASP 146 Cb 1.27 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.68 3i69 h ASP 146 CO 0.40 0.22 -0.70 -0.31 -1.72 0.00 0.00 179.24 177.13 3i69 s TYR 147 N -3.83 0.97 0.10 4.55 2.02 -1.26 -4.90 117.35 115.01 3i69 s TYR 147 Ca -0.01 -0.90 -0.29 0.00 -0.37 0.00 0.00 57.07 55.50 3i69 s TYR 147 Cb 0.11 -0.55 -0.11 0.00 -0.40 0.00 0.00 41.96 41.02 3i69 s TYR 147 CO 0.63 -0.12 1.62 -0.07 -1.57 0.00 0.00 175.55 176.04 3i69 h LEU 148 N 2.92 -0.88 -8.29 -1.29 3.38 -1.90 -3.41 115.31 105.84 3i69 h LEU 148 Ca -0.36 0.09 -0.58 0.00 0.09 0.00 0.00 57.88 57.13 3i69 h LEU 148 Cb 1.17 0.31 -0.31 0.00 0.09 0.00 0.00 40.66 41.93 3i69 h LEU 148 CO 0.64 -0.43 -0.84 -0.69 0.09 0.00 0.00 178.44 177.21 3i69 s VAL 149 N -6.02 1.50 0.00 1.22 1.01 -1.26 -4.82 120.40 112.02 3i69 s VAL 149 Ca -0.16 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3i69 s VAL 149 Cb 0.07 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.18 3i69 s VAL 149 CO 0.64 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.78 3i69 n GLY 150 N 2.97 1.25 2.34 4.51 0.00 -1.26 -3.02 105.19 111.98 3i69 n GLY 150 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -4.51 -4.30 1.61 5.15 -1.26 -5.04 115.26 106.91 3i69 n ASN 151 Ca 0.00 0.18 -0.16 0.00 -0.60 0.00 0.00 54.58 54.00 3i69 n ASN 151 Cb 0.00 -3.45 -0.10 0.00 -0.53 0.00 0.00 39.78 35.70 3i69 n ASN 151 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3i69 s LYS 152 N -3.90 1.25 0.22 1.20 -0.14 -1.17 -4.86 119.74 112.34 3i69 s LYS 152 Ca 0.00 -1.61 -0.31 0.00 -1.36 0.00 0.00 55.97 52.68 3i69 s LYS 152 Cb 0.00 -0.53 -0.11 0.00 -1.68 0.00 0.00 37.83 35.51 3i69 s LYS 152 CO 0.00 -0.09 1.64 -1.17 -0.76 0.00 0.00 175.35 174.97 3i69 s LEU 153 N -3.26 4.37 0.22 3.17 2.96 -1.26 -4.61 118.68 120.27 3i69 s LEU 153 Ca 0.26 2.81 -0.00 0.00 -0.22 0.00 0.00 54.13 56.98 3i69 s LEU 153 Cb 0.05 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 3i69 s LEU 153 CO 0.07 -0.91 0.12 -0.94 -1.32 0.00 0.00 176.35 173.37 3i69 s SER 154 N 0.96 0.51 0.55 3.68 1.04 -1.26 -4.82 113.70 114.36 3i69 s SER 154 Ca 0.70 -1.40 0.26 0.00 0.48 0.00 0.00 55.95 55.99 3i69 s SER 154 Cb -0.47 0.32 1.46 0.00 0.10 0.00 0.00 66.02 67.43 3i69 s SER 154 CO 0.36 -0.81 2.02 0.08 0.98 0.00 0.00 173.24 175.87 3i69 h ARG 155 N 2.53 0.00 -0.76 4.02 0.11 -1.49 -2.12 114.38 116.67 3i69 h ARG 155 Ca -0.36 0.00 0.10 0.00 0.10 0.00 0.00 59.98 59.81 3i69 h ARG 155 Cb 1.25 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.26 3i69 h ARG 155 CO 0.55 0.00 0.40 0.00 0.10 0.00 0.00 179.97 181.02 3i69 h ALA 156 N 1.73 1.07 -0.31 0.08 0.00 -1.88 0.40 119.26 120.35 3i69 h ALA 156 Ca 0.19 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 3i69 h ALA 156 Cb 0.83 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3i69 h ALA 156 CO -0.00 -0.00 -0.48 -0.44 0.00 0.00 0.00 179.25 178.32 3i69 h ASP 157 N 0.67 0.97 -0.34 0.00 3.32 -1.78 -2.06 116.42 117.19 3i69 h ASP 157 Ca 0.38 -0.51 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 3i69 h ASP 157 Cb 0.39 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3i69 h ASP 157 CO -0.27 1.30 0.03 0.40 -1.72 0.00 0.00 179.24 178.97 3i69 h ILE 158 N 0.68 1.25 -0.19 0.35 1.08 -1.32 -2.43 117.51 116.93 3i69 h ILE 158 Ca 0.03 -0.91 -0.04 0.00 -0.39 0.00 0.00 64.86 63.56 3i69 h ILE 158 Cb 1.09 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 3i69 h ILE 158 CO 0.11 0.30 -0.02 0.45 -0.69 0.00 0.00 178.15 178.30 3i69 h HIS 159 N 0.40 0.39 0.70 1.37 3.86 -0.96 -2.93 115.15 117.98 3i69 h HIS 159 Ca 0.10 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 3i69 h HIS 159 Cb 0.41 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.78 3i69 h HIS 159 CO 0.03 0.58 -0.36 1.25 0.86 0.00 0.00 177.93 180.29 3i69 h LEU 160 N 0.09 -0.86 -1.93 2.43 5.85 -1.36 -2.44 115.31 117.08 3i69 h LEU 160 Ca 0.05 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.92 3i69 h LEU 160 Cb 0.44 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3i69 h LEU 160 CO 0.01 -0.59 0.31 0.58 -0.34 0.00 0.00 178.44 178.41 3i69 h VAL 161 N -0.97 0.82 -0.71 1.05 2.07 -1.55 0.19 116.25 117.14 3i69 h VAL 161 Ca -0.09 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3i69 h VAL 161 Cb 0.75 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3i69 h VAL 161 CO 0.14 0.01 0.28 -0.08 0.02 0.00 0.00 177.57 177.94 3i69 h GLU 162 N 0.08 1.08 -0.29 1.57 4.81 -1.29 -1.36 114.58 119.18 3i69 h GLU 162 Ca 0.21 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 3i69 h GLU 162 Cb 0.72 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3i69 h GLU 162 CO -0.02 0.89 -0.31 1.25 -0.73 0.00 0.00 179.01 180.10 3i69 h LEU 163 N 1.03 0.62 -0.56 1.64 5.85 -0.23 -2.39 115.31 121.26 3i69 h LEU 163 Ca 0.24 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3i69 h LEU 163 Cb 0.23 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3i69 h LEU 163 CO -0.02 0.89 0.21 -0.07 -0.34 0.00 0.00 178.44 179.12 3i69 h LEU 164 N 0.51 0.78 -0.74 2.25 3.38 -0.73 0.17 115.31 120.94 3i69 h LEU 164 Ca 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3i69 h LEU 164 Cb 0.79 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3i69 h LEU 164 CO 0.06 0.74 0.41 1.88 0.09 0.00 0.00 178.44 181.63 3i69 h TYR 165 N 0.77 1.02 -0.64 1.13 0.05 -1.17 -1.91 116.97 116.22 3i69 h TYR 165 Ca 0.19 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.86 3i69 h TYR 165 Cb 0.22 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 3i69 h TYR 165 CO 0.01 0.71 0.09 -0.92 -1.05 0.00 0.00 178.16 177.01 3i69 h TYR 166 N 1.02 1.12 -0.20 4.88 5.03 -0.97 -2.83 116.97 125.03 3i69 h TYR 166 Ca 0.26 -0.15 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 3i69 h TYR 166 Cb 0.03 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 37.99 3i69 h TYR 166 CO -0.00 0.95 -0.09 0.28 -1.32 0.00 0.00 178.16 177.98 3i69 h VAL 167 N 0.99 1.18 -0.13 1.81 2.07 -0.47 -2.75 116.25 118.95 3i69 h VAL 167 Ca 0.20 -0.75 -0.12 0.00 0.82 0.00 0.00 66.70 66.85 3i69 h VAL 167 Cb 0.44 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3i69 h VAL 167 CO 0.01 0.24 -0.43 -0.08 0.02 0.00 0.00 177.57 177.34 3i69 h GLU 168 N 0.29 0.31 -0.61 1.57 4.81 -1.11 -1.50 114.58 118.34 3i69 h GLU 168 Ca 0.06 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 3i69 h GLU 168 Cb 0.34 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3i69 h GLU 168 CO 0.02 0.69 0.18 0.93 -0.73 0.00 0.00 179.01 180.09 3i69 h GLU 169 N 0.26 0.92 0.36 1.92 5.08 -1.32 -3.14 114.58 118.66 3i69 h GLU 169 Ca 0.02 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3i69 h GLU 169 Cb 0.86 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3i69 h GLU 169 CO 0.07 0.80 -0.17 1.25 -1.00 0.00 0.00 179.01 179.96 3i69 h LEU 170 N 0.89 -0.41 -6.00 1.33 6.46 -1.21 -3.46 115.31 112.91 3i69 h LEU 170 Ca 0.20 -0.13 0.24 0.00 -0.12 0.00 0.00 57.88 58.08 3i69 h LEU 170 Cb 0.28 0.11 -0.21 0.00 -0.73 0.00 0.00 40.66 40.10 3i69 h LEU 170 CO -0.01 -0.09 0.14 -0.62 -0.62 0.00 0.00 178.44 177.25 3i69 s ASP 171 N -4.96 -0.40 0.00 1.25 2.15 -0.59 -5.07 116.67 109.05 3i69 s ASP 171 Ca -0.15 0.23 0.25 0.00 0.43 0.00 0.00 52.55 53.31 3i69 s ASP 171 Cb 0.03 1.33 1.32 0.00 -0.30 0.00 0.00 42.92 45.30 3i69 s ASP 171 CO 0.56 -0.08 1.82 -1.54 -0.17 0.00 0.00 175.17 175.76 3i69 n SER 172 N 5.45 0.00 0.08 -0.34 3.41 -1.19 -2.22 113.62 118.80 3i69 n SER 172 Ca -0.06 -0.33 0.12 0.00 -0.26 0.00 0.00 58.87 58.34 3i69 n SER 172 Cb 0.54 -0.18 0.18 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.00 0.00 -1.01 4.04 4.64 -1.92 -3.39 113.55 115.92 3i69 h SER 173 Ca 0.00 -0.14 0.13 0.00 -0.47 0.00 0.00 61.79 61.30 3i69 h SER 173 Cb 0.14 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.15 3i69 h SER 173 CO 0.00 0.07 0.63 -0.07 -0.87 0.00 0.00 176.83 176.59 3i69 h LEU 174 N 0.00 0.92 -0.02 5.97 3.38 -1.79 -0.81 115.31 122.97 3i69 h LEU 174 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i69 h LEU 174 Cb 0.80 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3i69 h LEU 174 CO 0.00 0.48 -0.05 0.00 0.09 0.00 0.00 178.44 178.96 3i69 n ILE 175 N -4.63 0.00 -0.16 1.22 3.06 -1.26 -4.51 119.36 113.08 3i69 n ILE 175 Ca 0.19 -0.00 0.16 0.00 -2.50 0.00 0.00 62.75 60.59 3i69 n ILE 175 Cb 0.37 -0.41 0.51 0.00 0.54 0.00 0.00 39.64 40.65 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 0.04 0.38 -0.60 9.51 4.64 -1.38 0.01 113.55 126.16 3i69 h SER 176 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3i69 h SER 176 Cb 0.43 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3i69 h SER 176 CO 0.00 0.20 0.00 -1.20 -0.87 0.00 0.00 176.83 174.96 3i69 n SER 177 N -4.47 4.49 -3.85 4.97 7.64 -1.26 -4.64 113.62 116.48 3i69 n SER 177 Ca 0.14 -2.44 -0.28 0.00 1.01 0.00 0.00 58.87 57.30 3i69 n SER 177 Cb 0.53 -0.56 -0.12 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.88 3.31 0.38 1.43 0.08 -0.01 -4.97 117.98 116.33 3i69 s PHE 178 Ca 0.47 -3.23 0.09 0.00 0.12 0.00 0.00 56.93 54.38 3i69 s PHE 178 Cb 0.31 -2.54 0.77 0.00 -0.57 0.00 0.00 43.02 40.99 3i69 s PHE 178 CO 0.22 -0.58 1.91 -1.00 -0.10 0.00 0.00 175.22 175.67 3i69 h PRO 179 N 5.49 0.25 -0.20 0.24 0.13 -1.82 -3.00 132.00 133.08 3i69 h PRO 179 Ca 0.14 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 3i69 h PRO 179 Cb 0.78 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3i69 h PRO 179 CO 0.68 0.39 -0.40 -0.07 -0.23 0.00 0.00 178.00 178.37 3i69 h LEU 180 N 0.24 0.49 -0.76 1.56 3.38 -1.95 -1.86 115.31 116.40 3i69 h LEU 180 Ca 0.05 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 3i69 h LEU 180 Cb 0.38 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i69 h LEU 180 CO 0.02 0.84 -0.02 -0.07 0.09 0.00 0.00 178.44 179.30 3i69 h LEU 181 N 0.38 0.90 -0.74 1.67 3.38 -1.90 -0.97 115.31 118.04 3i69 h LEU 181 Ca 0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3i69 h LEU 181 Cb 0.87 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3i69 h LEU 181 CO 0.07 0.97 0.26 0.11 0.09 0.00 0.00 178.44 179.95 3i69 h LYS 182 N 0.85 1.12 0.00 1.13 1.57 -1.38 -1.33 116.57 118.53 3i69 h LYS 182 Ca 0.16 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 3i69 h LYS 182 Cb 0.53 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3i69 h LYS 182 CO 0.03 0.94 -0.47 0.00 -0.57 0.00 0.00 179.45 179.38 3i69 h ALA 183 N 1.13 1.13 -0.09 3.86 0.00 -1.16 -2.83 119.26 121.30 3i69 h ALA 183 Ca 0.24 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3i69 h ALA 183 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i69 h ALA 183 CO -0.01 0.59 -0.25 1.25 0.00 0.00 0.00 179.25 180.83 3i69 h LEU 184 N 0.00 0.38 -0.86 0.00 5.85 -0.97 -2.97 115.31 116.73 3i69 h LEU 184 Ca -0.00 -0.59 0.11 0.00 0.84 0.00 0.00 57.88 58.24 3i69 h LEU 184 Cb 0.88 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 3i69 h LEU 184 CO 0.06 0.90 0.49 0.50 -0.34 0.00 0.00 178.44 180.05 3i69 h LYS 185 N -0.13 0.75 -0.16 1.25 3.64 -1.18 -1.53 116.57 119.22 3i69 h LYS 185 Ca -0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3i69 h LYS 185 Cb 0.86 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3i69 h LYS 185 CO 0.05 0.50 0.00 1.15 -2.27 0.00 0.00 179.45 178.88 3i69 h THR 186 N 0.78 1.25 -0.50 1.00 2.02 -1.56 -1.72 112.91 114.17 3i69 h THR 186 Ca 0.44 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3i69 h THR 186 Cb 0.47 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 3i69 h THR 186 CO -0.28 0.25 0.27 -0.09 0.37 0.00 0.00 175.52 176.04 3i69 h ARG 187 N 0.02 0.70 -0.37 6.66 2.43 -1.19 -0.23 114.38 122.40 3i69 h ARG 187 Ca 0.04 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 3i69 h ARG 187 Cb 0.37 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3i69 h ARG 187 CO 0.01 0.55 -0.36 0.82 -1.51 0.00 0.00 179.97 179.48 3i69 h ILE 188 N 0.67 1.28 0.00 1.20 1.08 -1.37 -2.96 117.51 117.41 3i69 h ILE 188 Ca 0.18 -1.53 -0.02 0.00 -0.39 0.00 0.00 64.86 63.10 3i69 h ILE 188 Cb 0.05 1.40 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 3i69 h ILE 188 CO -0.03 0.51 -0.08 0.28 -0.69 0.00 0.00 178.15 178.14 3i69 h SER 189 N 0.71 0.00 0.56 1.72 0.02 -0.89 -2.31 113.55 113.36 3i69 h SER 189 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3i69 h SER 189 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3i69 h SER 189 CO 0.09 0.08 -0.09 0.59 -1.14 0.00 0.00 176.83 176.36 3i69 n ASN 190 N -4.15 0.23 -4.72 3.07 3.02 -0.13 -3.16 115.26 109.42 3i69 n ASN 190 Ca -0.03 -0.20 -0.42 0.00 -0.03 0.00 0.00 54.58 53.90 3i69 n ASN 190 Cb 0.16 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 3i69 n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i69 s LEU 191 N -2.65 4.37 0.31 3.41 1.43 -0.87 -4.83 118.68 119.85 3i69 s LEU 191 Ca 0.24 2.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.72 3i69 s LEU 191 Cb 0.20 -3.59 0.84 0.00 0.03 0.00 0.00 46.19 43.67 3i69 s LEU 191 CO 0.50 -0.62 1.72 -0.65 0.23 0.00 0.00 176.35 177.53 3i69 h PRO 192 N 6.67 0.52 -0.06 1.29 0.11 -1.89 0.19 132.00 138.82 3i69 h PRO 192 Ca -0.42 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3i69 h PRO 192 Cb 1.21 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i69 h PRO 192 CO 0.85 0.34 -0.06 1.79 -0.21 0.00 0.00 178.00 180.71 3i69 h THR 193 N 0.53 1.37 -0.77 -1.15 1.35 -1.90 -1.04 112.91 111.30 3i69 h THR 193 Ca 0.62 -1.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.27 3i69 h THR 193 Cb 1.17 2.03 -0.04 0.00 -1.73 0.00 0.00 68.15 69.59 3i69 h THR 193 CO -0.49 0.33 0.44 0.58 -0.25 0.00 0.00 175.52 176.13 3i69 h VAL 194 N -0.28 1.23 -0.31 6.82 2.07 -1.62 -1.56 116.25 122.60 3i69 h VAL 194 Ca 0.01 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.04 3i69 h VAL 194 Cb 0.56 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3i69 h VAL 194 CO 0.02 0.25 0.05 0.50 0.02 0.00 0.00 177.57 178.40 3i69 h LYS 195 N 1.06 0.15 -0.81 1.57 3.64 -0.61 -0.46 116.57 121.11 3i69 h LYS 195 Ca 0.27 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 3i69 h LYS 195 Cb 0.01 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3i69 h LYS 195 CO -0.05 0.10 0.52 -0.22 -2.27 0.00 0.00 179.45 177.53 3i69 h LYS 196 N 0.15 0.98 0.00 1.90 3.64 -0.89 -2.08 116.57 120.27 3i69 h LYS 196 Ca 0.15 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3i69 h LYS 196 Cb 0.17 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3i69 h LYS 196 CO -0.20 0.65 -0.23 0.35 -2.27 0.00 0.00 179.45 177.74 3i69 h PHE 197 N 1.01 0.00 0.00 1.91 3.57 -0.79 -3.04 116.94 119.60 3i69 h PHE 197 Ca 0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 3i69 h PHE 197 Cb 0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3i69 h PHE 197 CO -0.03 0.23 0.00 1.28 -2.23 0.00 0.00 178.31 177.56 3i69 n LEU 198 N -4.09 0.59 -4.84 0.59 4.77 -0.22 -4.67 117.00 109.12 3i69 n LEU 198 Ca -0.02 0.56 -0.32 0.00 -0.03 0.00 0.00 56.01 56.19 3i69 n LEU 198 Cb 0.30 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 3i69 n LEU 198 CO 0.36 -0.13 0.63 -1.10 -1.33 0.00 0.00 177.39 175.81 3i69 s GLN 199 N -3.07 4.00 0.41 3.23 -0.21 -1.13 -5.01 119.66 117.89 3i69 s GLN 199 Ca 0.12 0.93 -0.25 0.00 0.02 0.00 0.00 55.36 56.17 3i69 s GLN 199 Cb 0.14 -2.19 -0.10 0.00 1.00 0.00 0.00 33.01 31.86 3i69 s GLN 199 CO 0.58 -0.16 1.17 -2.30 -2.12 0.00 0.00 175.29 172.46 3i69 n PRO 200 N -1.24 1.71 0.00 2.91 -0.02 -1.26 -2.72 135.00 134.38 3i69 n PRO 200 Ca 0.06 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3i69 n PRO 200 Cb 0.54 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.95 2.97 3.70 -1.23 0.00 -1.26 -5.04 105.19 105.29 3i69 n GLY 201 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.30 3.72 0.00 1.61 1.04 -1.10 -4.84 113.70 112.84 3i69 s SER 202 Ca 0.00 2.31 0.10 0.00 0.48 0.00 0.00 55.95 58.84 3i69 s SER 202 Cb 0.00 -2.58 0.60 0.00 0.10 0.00 0.00 66.02 64.14 3i69 s SER 202 CO 0.00 -2.58 1.05 -2.65 0.98 0.00 0.00 173.24 170.04 3i69 n PRO 203 N -3.27 0.50 -1.68 4.02 -0.02 -1.26 -4.73 135.00 128.57 3i69 n PRO 203 Ca 0.13 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 61.16 3i69 n PRO 203 Cb 0.51 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.65 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 -0.81 2.10 -3.54 -0.52 0.63 -1.26 -4.99 116.66 108.27 3i69 n ARG 204 Ca 0.08 0.75 -0.23 0.00 -0.92 0.00 0.00 57.85 57.53 3i69 n ARG 204 Cb 0.03 -2.43 -0.01 0.00 0.45 0.00 0.00 32.46 30.50 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 -0.27 3.44 0.66 -0.14 -0.14 -1.26 -4.96 119.74 117.06 3i69 s LYS 205 Ca 0.69 -0.49 -0.06 0.00 -1.36 0.00 0.00 55.97 54.75 3i69 s LYS 205 Cb -0.64 -2.73 0.04 0.00 -1.68 0.00 0.00 37.83 32.82 3i69 s LYS 205 CO 0.48 0.21 0.96 -1.25 -0.76 0.00 0.00 175.35 175.00 3i69 s PRO 206 N -4.22 2.48 0.63 -1.68 0.04 -1.26 -4.86 135.00 126.13 3i69 s PRO 206 Ca 0.39 -0.19 -0.18 0.00 0.04 0.00 0.00 61.00 61.06 3i69 s PRO 206 Cb -0.09 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 3i69 s PRO 206 CO 0.34 -1.02 1.26 -1.25 0.04 0.00 0.00 177.00 176.37 3i69 s PRO 207 N -5.13 2.67 0.46 0.56 0.04 -1.26 -4.10 135.00 128.25 3i69 s PRO 207 Ca 0.58 1.97 -0.23 0.00 0.04 0.00 0.00 61.00 63.35 3i69 s PRO 207 Cb -0.11 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 3i69 s PRO 207 CO 0.45 -1.48 1.12 -0.35 0.04 0.00 0.00 177.00 176.78 3i69 n PRO 208 N -1.84 1.50 -4.57 0.56 -0.04 -1.26 -4.98 135.00 124.37 3i69 n PRO 208 Ca 0.15 0.54 -0.31 0.00 -0.04 0.00 0.00 63.50 63.84 3i69 n PRO 208 Cb 0.49 -2.22 -0.07 0.00 -0.04 0.00 0.00 33.50 31.66 3i69 n PRO 208 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3i69 n ASP 209 N 0.07 3.06 -0.11 3.54 5.68 -1.26 -5.00 116.55 122.53 3i69 n ASP 209 Ca 0.09 -3.16 0.12 0.00 -0.50 0.00 0.00 54.79 51.34 3i69 n ASP 209 Cb 0.41 0.44 0.48 0.00 -1.14 0.00 0.00 41.12 41.31 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 0.45 0.01 0.11 4.39 -1.98 -0.86 114.58 116.69 3i69 h GLU 210 Ca -0.40 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.09 3i69 h GLU 210 Cb 1.23 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 3i69 h GLU 210 CO 0.65 0.30 -0.87 0.82 -1.16 0.00 0.00 179.01 178.75 3i69 h ILE 211 N 0.46 1.58 -0.07 3.13 1.08 -1.99 -2.04 117.51 119.66 3i69 h ILE 211 Ca 0.30 -2.86 -0.15 0.00 -0.39 0.00 0.00 64.86 61.76 3i69 h ILE 211 Cb 0.56 2.56 0.01 0.00 -3.07 0.00 0.00 36.82 36.88 3i69 h ILE 211 CO -0.09 0.82 -0.56 0.22 -0.69 0.00 0.00 178.15 177.85 3i69 h TYR 212 N 0.03 0.70 -0.70 1.37 5.03 -1.82 -2.89 116.97 118.69 3i69 h TYR 212 Ca -0.02 -0.33 0.05 0.00 2.58 0.00 0.00 58.73 61.01 3i69 h TYR 212 Cb 1.53 -0.10 -0.05 0.00 1.55 0.00 0.00 36.73 39.66 3i69 h TYR 212 CO 0.01 1.12 0.41 0.28 -1.32 0.00 0.00 178.16 178.66 3i69 h VAL 213 N 0.07 1.01 0.37 1.81 2.07 -1.15 -2.57 116.25 117.86 3i69 h VAL 213 Ca -0.05 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3i69 h VAL 213 Cb 1.23 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3i69 h VAL 213 CO 0.11 0.14 -0.52 0.03 0.02 0.00 0.00 177.57 177.36 3i69 h ARG 214 N 0.77 -0.89 -0.30 1.57 3.08 -1.44 -3.04 114.38 114.13 3i69 h ARG 214 Ca 0.30 0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.50 3i69 h ARG 214 Cb 0.13 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3i69 h ARG 214 CO -0.16 -0.59 0.28 1.15 -1.07 0.00 0.00 179.97 179.58 3i69 h THR 215 N -0.92 0.54 0.00 2.04 2.02 -1.24 -1.40 112.91 113.96 3i69 h THR 215 Ca -0.04 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.89 3i69 h THR 215 Cb 0.84 0.79 0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3i69 h THR 215 CO -0.15 0.00 -0.95 0.58 0.37 0.00 0.00 175.52 175.37 3i69 h VAL 216 N 0.00 1.31 -0.32 3.16 2.07 -1.39 -3.29 116.25 117.79 3i69 h VAL 216 Ca 0.14 -2.22 0.03 0.00 0.82 0.00 0.00 66.70 65.47 3i69 h VAL 216 Cb 0.70 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 3i69 h VAL 216 CO -0.00 0.68 0.21 1.88 0.02 0.00 0.00 177.57 180.36 3i69 h TYR 217 N 0.28 0.30 -0.00 1.57 -1.99 -1.14 -2.39 116.97 113.60 3i69 h TYR 217 Ca -0.12 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.62 3i69 h TYR 217 Cb 1.62 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 40.25 3i69 h TYR 217 CO 0.11 0.18 -0.03 0.09 -0.00 0.00 0.00 178.16 178.51 3i69 n ASN 218 N -4.49 0.47 -0.84 3.88 3.02 -1.18 -5.15 115.26 110.97 3i69 n ASN 218 Ca 0.03 -0.92 0.10 0.00 -0.03 0.00 0.00 54.58 53.76 3i69 n ASN 218 Cb 0.16 -0.04 0.09 0.00 -0.61 0.00 0.00 39.78 39.37 3i69 n ASN 218 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26