#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ik9 s GLU 3 N 0.00 4.34 0.49 0.00 0.41 -1.26 -5.06 118.70 117.62 3ik9 s GLU 3 Ca 0.00 0.67 -0.20 0.00 -0.41 0.00 0.00 54.97 55.03 3ik9 s GLU 3 Cb 0.00 -3.40 -0.08 0.00 -1.78 0.00 0.00 34.13 28.87 3ik9 s GLU 3 CO 0.00 0.23 1.04 0.15 -0.49 0.00 0.00 175.26 176.20 3ik9 s LYS 4 N 0.30 3.77 0.46 1.61 1.02 -1.26 -4.82 119.74 120.81 3ik9 s LYS 4 Ca 0.31 1.38 -0.24 0.00 0.02 0.00 0.00 55.97 57.43 3ik9 s LYS 4 Cb -0.17 -2.09 -0.08 0.00 -0.52 0.00 0.00 37.83 34.97 3ik9 s LYS 4 CO 0.15 -0.46 1.28 -2.30 -0.92 0.00 0.00 175.35 173.10 3ik9 n PRO 5 N -1.00 1.86 -3.96 -1.68 -0.02 -1.26 -4.79 135.00 124.15 3ik9 n PRO 5 Ca 0.09 0.67 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 3ik9 n PRO 5 Cb 0.52 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.41 3ik9 n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ik9 s LYS 6 N -2.39 1.81 -0.23 -0.52 2.20 -0.03 -1.19 119.74 119.39 3ik9 s LYS 6 Ca 0.64 -0.79 -0.16 0.00 -0.36 0.00 0.00 55.97 55.30 3ik9 s LYS 6 Cb -0.48 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 3ik9 s LYS 6 CO 0.56 -0.46 0.40 -0.51 -0.36 0.00 0.00 175.35 174.98 3ik9 s LEU 7 N 1.45 4.11 -0.20 5.43 1.02 -0.38 -0.68 118.68 129.43 3ik9 s LEU 7 Ca -0.02 0.44 -0.07 0.00 0.02 0.00 0.00 54.13 54.51 3ik9 s LEU 7 Cb -0.16 -2.50 -0.03 0.00 0.02 0.00 0.00 46.19 43.51 3ik9 s LEU 7 CO -0.08 -0.13 0.04 -1.00 0.02 0.00 0.00 176.35 175.21 3ik9 s HIS 8 N 1.65 3.14 0.02 0.29 3.76 0.60 -1.27 115.29 123.47 3ik9 s HIS 8 Ca 0.18 -0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.61 3ik9 s HIS 8 Cb -0.15 -2.11 0.11 0.00 1.11 0.00 0.00 32.58 31.53 3ik9 s HIS 8 CO 0.09 -0.08 1.23 -0.47 -0.85 0.00 0.00 174.74 174.66 3ik9 s TYR 9 N 0.83 -0.03 0.92 1.40 5.04 -1.18 -2.53 117.35 121.80 3ik9 s TYR 9 Ca 0.03 -0.12 -0.11 0.00 -2.44 0.00 0.00 57.07 54.43 3ik9 s TYR 9 Cb -0.14 0.57 0.15 0.00 0.35 0.00 0.00 41.96 42.89 3ik9 s TYR 9 CO 0.02 -0.38 1.11 -0.06 -1.34 0.00 0.00 175.55 174.90 3ik9 s PHE 10 N -2.43 1.84 -0.85 4.97 0.40 -1.26 -0.81 117.98 119.84 3ik9 s PHE 10 Ca 0.17 1.60 -0.23 0.00 -0.60 0.00 0.00 56.93 57.88 3ik9 s PHE 10 Cb 0.03 -3.23 0.07 0.00 0.51 0.00 0.00 43.02 40.40 3ik9 s PHE 10 CO -0.02 -2.73 1.21 1.21 0.70 0.00 0.00 175.22 175.60 3ik9 s ASN 11 N -2.87 6.38 0.00 1.36 3.84 -1.26 -4.79 114.94 117.60 3ik9 s ASN 11 Ca 0.66 -1.28 0.00 0.00 0.21 0.00 0.00 52.86 52.44 3ik9 s ASN 11 Cb -0.21 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 3ik9 s ASN 11 CO 0.58 -1.45 0.00 0.61 -2.79 0.00 0.00 177.10 174.06 3ik9 n GLY 12 N 5.84 0.10 0.00 1.21 0.00 -1.26 -4.95 105.19 106.13 3ik9 n GLY 12 Ca 0.15 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3ik9 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ik9 n ARG 13 N -0.71 0.00 0.00 1.61 1.74 -1.26 -4.74 116.66 113.30 3ik9 n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ik9 n ARG 13 Cb 0.00 -0.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3ik9 n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ik9 n GLY 14 N 1.51 3.18 0.47 -0.13 0.00 -1.26 -2.17 105.19 106.79 3ik9 n GLY 14 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3ik9 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ik9 n ARG 15 N 14.00 1.31 0.06 1.61 1.74 -1.26 -4.09 116.66 130.04 3ik9 n ARG 15 Ca 0.00 -0.95 0.07 0.00 -0.77 0.00 0.00 57.85 56.20 3ik9 n ARG 15 Cb 0.00 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 3ik9 n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3ik9 n MET 16 N -0.01 0.62 0.12 5.56 1.56 -0.92 -4.45 117.12 119.59 3ik9 n MET 16 Ca 0.13 0.11 0.02 0.00 -0.27 0.00 0.00 57.70 57.68 3ik9 n MET 16 Cb 0.43 -1.78 0.36 0.00 2.15 0.00 0.00 33.22 34.38 3ik9 n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 3ik9 h GLU 17 N 0.00 0.22 0.00 2.12 4.57 -1.65 0.48 114.58 120.31 3ik9 h GLU 17 Ca -0.07 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 3ik9 h GLU 17 Cb 1.22 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3ik9 h GLU 17 CO 0.02 0.41 -0.30 0.66 -1.18 0.00 0.00 179.01 178.62 3ik9 h SER 18 N 0.20 0.00 -0.03 1.04 4.64 -1.85 -1.85 113.55 115.70 3ik9 h SER 18 Ca 0.04 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 3ik9 h SER 18 Cb 0.47 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.57 3ik9 h SER 18 CO 0.03 0.30 -0.83 0.74 -0.87 0.00 0.00 176.83 176.20 3ik9 h THR 19 N 0.00 1.33 -0.48 2.95 2.02 -1.20 -2.14 112.91 115.40 3ik9 h THR 19 Ca -0.00 -2.12 0.07 0.00 0.77 0.00 0.00 66.41 65.12 3ik9 h THR 19 Cb 0.73 2.37 -0.06 0.00 -1.74 0.00 0.00 68.15 69.45 3ik9 h THR 19 CO 0.04 0.65 0.16 0.03 0.37 0.00 0.00 175.52 176.77 3ik9 h ARG 20 N 0.25 0.32 -0.50 6.66 3.08 -1.00 -1.38 114.38 121.81 3ik9 h ARG 20 Ca -0.10 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3ik9 h ARG 20 Cb 1.50 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.45 3ik9 h ARG 20 CO 0.17 0.21 0.26 -1.49 -1.07 0.00 0.00 179.97 178.05 3ik9 h TRP 21 N 0.33 0.70 -0.20 3.04 4.06 -1.36 -2.43 115.95 120.10 3ik9 h TRP 21 Ca 0.23 -0.03 -0.14 0.00 2.06 0.00 0.00 58.89 61.01 3ik9 h TRP 21 Cb 0.24 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 3ik9 h TRP 21 CO -0.17 0.54 -0.42 1.25 -3.56 0.00 0.00 178.44 176.09 3ik9 h LEU 22 N 0.66 0.70 0.29 -4.49 5.85 -1.03 -1.84 115.31 115.46 3ik9 h LEU 22 Ca 0.17 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 3ik9 h LEU 22 Cb 0.09 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3ik9 h LEU 22 CO -0.02 1.13 -0.14 -0.07 -0.34 0.00 0.00 178.44 179.00 3ik9 h LEU 23 N 0.31 -0.33 -0.30 2.25 3.38 -1.26 -1.07 115.31 118.29 3ik9 h LEU 23 Ca 0.00 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3ik9 h LEU 23 Cb 1.02 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 3ik9 h LEU 23 CO 0.09 -0.22 0.10 0.00 0.09 0.00 0.00 178.44 178.50 3ik9 h ALA 24 N 0.30 0.33 -0.18 1.53 0.00 -1.47 0.12 119.26 119.90 3ik9 h ALA 24 Ca -0.04 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ik9 h ALA 24 Cb 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ik9 h ALA 24 CO 0.07 -0.31 0.13 0.00 0.00 0.00 0.00 179.25 179.14 3ik9 h ALA 25 N 1.19 2.09 -0.00 0.00 0.00 -1.25 0.60 119.26 121.88 3ik9 h ALA 25 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ik9 h ALA 25 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ik9 h ALA 25 CO -0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 179.25 178.97 3ik9 n ALA 26 N -2.56 2.65 -1.00 0.00 0.00 0.29 -4.78 120.51 115.12 3ik9 n ALA 26 Ca 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.21 3ik9 n ALA 26 Cb 0.22 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 3ik9 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ik9 n GLY 27 N 1.11 0.45 3.62 0.00 0.00 0.21 -4.99 105.19 105.59 3ik9 n GLY 27 Ca 0.20 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3ik9 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ik9 s VAL 28 N -1.90 4.88 0.46 1.61 1.01 -0.49 -4.98 120.40 120.99 3ik9 s VAL 28 Ca 0.00 1.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.98 3ik9 s VAL 28 Cb 0.00 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 3ik9 s VAL 28 CO 0.00 -0.12 1.02 -0.70 0.00 0.00 0.00 175.10 175.30 3ik9 s GLU 29 N 2.75 3.94 0.15 2.72 2.12 -1.26 -4.12 118.70 125.01 3ik9 s GLU 29 Ca 0.30 1.31 -0.12 0.00 0.36 0.00 0.00 54.97 56.83 3ik9 s GLU 29 Cb -0.15 -2.16 0.01 0.00 0.26 0.00 0.00 34.13 32.09 3ik9 s GLU 29 CO 0.10 -0.30 0.33 -0.59 -0.54 0.00 0.00 175.26 174.26 3ik9 s PHE 30 N -2.00 0.15 0.28 5.30 -0.12 -1.26 -4.13 117.98 116.20 3ik9 s PHE 30 Ca 0.65 -0.52 0.11 0.00 -0.05 0.00 0.00 56.93 57.12 3ik9 s PHE 30 Cb -0.15 0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.28 3ik9 s PHE 30 CO 0.19 -0.72 -0.14 -1.21 -0.05 0.00 0.00 175.22 173.29 3ik9 s GLU 31 N -3.90 1.87 0.08 1.99 2.02 -0.33 -4.99 118.70 115.45 3ik9 s GLU 31 Ca 0.11 -1.66 0.06 0.00 0.02 0.00 0.00 54.97 53.50 3ik9 s GLU 31 Cb 0.02 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 3ik9 s GLU 31 CO -0.04 0.34 -0.17 -1.21 0.02 0.00 0.00 175.26 174.19 3ik9 s GLU 32 N -3.56 0.95 -0.20 1.61 2.02 -1.26 -1.25 118.70 117.01 3ik9 s GLU 32 Ca 0.30 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 54.24 3ik9 s GLU 32 Cb -0.05 -1.08 0.05 0.00 0.10 0.00 0.00 34.13 33.15 3ik9 s GLU 32 CO 0.17 0.25 -0.03 0.21 0.02 0.00 0.00 175.26 175.87 3ik9 s LYS 33 N -1.81 1.33 0.04 1.61 2.20 -0.40 -4.92 119.74 117.78 3ik9 s LYS 33 Ca 0.02 -0.68 -0.25 0.00 -0.36 0.00 0.00 55.97 54.69 3ik9 s LYS 33 Cb -0.10 -2.26 -0.05 0.00 -1.51 0.00 0.00 37.83 33.90 3ik9 s LYS 33 CO 0.03 -0.55 0.77 -0.06 -0.36 0.00 0.00 175.35 175.18 3ik9 s PHE 34 N 1.59 3.72 -0.29 4.03 0.08 -1.26 -3.12 117.98 122.73 3ik9 s PHE 34 Ca -0.02 1.47 -0.26 0.00 0.12 0.00 0.00 56.93 58.24 3ik9 s PHE 34 Cb -0.17 -2.83 0.01 0.00 -0.57 0.00 0.00 43.02 39.45 3ik9 s PHE 34 CO -0.07 0.25 0.92 0.42 -0.10 0.00 0.00 175.22 176.64 3ik9 s ILE 35 N 0.04 4.69 -0.02 0.64 1.01 0.01 -4.93 121.20 122.64 3ik9 s ILE 35 Ca 0.39 1.51 0.11 0.00 0.00 0.00 0.00 60.65 62.67 3ik9 s ILE 35 Cb -0.20 -4.25 -0.17 0.00 0.01 0.00 0.00 42.46 37.84 3ik9 s ILE 35 CO 0.23 -0.30 0.24 0.29 0.00 0.00 0.00 174.94 175.40 3ik9 n LYS 36 N 6.42 0.40 -4.03 2.79 4.76 -1.26 -4.38 118.16 122.86 3ik9 n LYS 36 Ca 0.08 -0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.32 3ik9 n LYS 36 Cb 0.47 -1.27 -0.06 0.00 -1.84 0.00 0.00 35.03 32.34 3ik9 n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ik9 s SER 37 N -3.32 0.08 0.55 4.39 1.04 -1.26 -4.90 113.70 110.27 3ik9 s SER 37 Ca -0.04 -1.07 0.27 0.00 0.48 0.00 0.00 55.95 55.59 3ik9 s SER 37 Cb 0.07 0.57 1.58 0.00 0.10 0.00 0.00 66.02 68.34 3ik9 s SER 37 CO 0.47 -1.13 2.15 0.00 0.98 0.00 0.00 173.24 175.70 3ik9 h ALA 38 N 2.28 1.44 0.00 5.32 0.00 -1.78 -2.66 119.26 123.86 3ik9 h ALA 38 Ca -0.28 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 3ik9 h ALA 38 Cb 1.25 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3ik9 h ALA 38 CO 0.38 0.09 -1.34 0.93 0.00 0.00 0.00 179.25 179.30 3ik9 h GLU 39 N 0.00 0.00 0.37 0.00 3.07 -1.96 -1.58 114.58 114.48 3ik9 h GLU 39 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3ik9 h GLU 39 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3ik9 h GLU 39 CO 0.01 0.35 -0.18 -0.44 -1.40 0.00 0.00 179.01 177.36 3ik9 h ASP 40 N 0.00 -0.42 -0.21 1.42 5.19 -1.88 -1.76 116.42 118.76 3ik9 h ASP 40 Ca -0.16 -0.07 0.06 0.00 -0.62 0.00 0.00 57.03 56.24 3ik9 h ASP 40 Cb 1.62 0.11 -0.06 0.00 0.18 0.00 0.00 39.33 41.18 3ik9 h ASP 40 CO 0.05 -0.19 -0.22 0.25 -3.12 0.00 0.00 179.24 176.02 3ik9 h LEU 41 N -0.64 -0.69 -2.01 1.55 5.85 -1.58 -1.79 115.31 116.01 3ik9 h LEU 41 Ca -0.05 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3ik9 h LEU 41 Cb 0.46 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3ik9 h LEU 41 CO 0.08 -0.26 0.20 0.44 -0.34 0.00 0.00 178.44 178.57 3ik9 h ASP 42 N -0.24 0.00 -0.39 1.25 5.19 -1.29 -1.75 116.42 119.19 3ik9 h ASP 42 Ca 0.13 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.43 3ik9 h ASP 42 Cb 0.43 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 3ik9 h ASP 42 CO -0.35 0.00 -0.17 0.50 -3.12 0.00 0.00 179.24 176.10 3ik9 h LYS 43 N 0.00 0.80 0.00 3.56 1.63 -0.43 0.25 116.57 122.38 3ik9 h LYS 43 Ca 0.13 -0.34 -0.06 0.00 -0.85 0.00 0.00 60.65 59.53 3ik9 h LYS 43 Cb 0.54 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 3ik9 h LYS 43 CO -0.00 0.97 -0.30 -0.07 -3.45 0.00 0.00 179.45 176.60 3ik9 h LEU 44 N 0.61 0.00 0.06 5.20 3.38 -1.06 -1.63 115.31 121.87 3ik9 h LEU 44 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ik9 h LEU 44 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3ik9 h LEU 44 CO 0.05 0.30 -0.03 0.03 0.09 0.00 0.00 178.44 178.88 3ik9 h ARG 45 N 0.00 -0.08 -0.93 1.13 3.08 -1.10 -1.02 114.38 115.46 3ik9 h ARG 45 Ca -0.00 0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.23 3ik9 h ARG 45 Cb 0.61 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.60 3ik9 h ARG 45 CO 0.04 0.47 0.60 -0.91 -1.07 0.00 0.00 179.97 179.10 3ik9 h ASN 46 N -0.92 0.61 0.47 7.04 2.35 -0.47 0.81 115.58 125.48 3ik9 h ASN 46 Ca -0.01 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3ik9 h ASN 46 Cb 0.59 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3ik9 h ASN 46 CO 0.01 0.26 0.00 0.47 -1.65 0.00 0.00 177.43 176.53 3ik9 n ASP 47 N -4.60 0.00 -0.49 5.81 8.00 -0.62 -4.90 116.55 119.76 3ik9 n ASP 47 Ca 0.20 -0.09 -0.04 0.00 0.71 0.00 0.00 54.79 55.57 3ik9 n ASP 47 Cb 0.58 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3ik9 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ik9 n GLY 48 N 0.86 0.27 0.00 0.44 0.00 0.28 -4.96 105.19 102.09 3ik9 n GLY 48 Ca 0.12 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.54 3ik9 n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ik9 n TYR 49 N -3.88 0.00 -3.35 1.61 4.01 -0.39 -4.74 117.16 110.42 3ik9 n TYR 49 Ca -0.04 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.25 3ik9 n TYR 49 Cb 0.53 -0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 39.27 3ik9 n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ik9 s LEU 50 N -3.72 6.12 0.42 7.72 1.43 -1.22 -4.89 118.68 124.54 3ik9 s LEU 50 Ca 0.00 -1.81 0.15 0.00 -1.03 0.00 0.00 54.13 51.45 3ik9 s LEU 50 Cb 0.15 -2.18 1.03 0.00 0.03 0.00 0.00 46.19 45.22 3ik9 s LEU 50 CO 0.87 -0.84 1.89 -0.03 0.23 0.00 0.00 176.35 178.48 3ik9 h MET 51 N 8.82 0.43 -0.03 1.70 1.85 -1.86 -1.07 114.93 124.79 3ik9 h MET 51 Ca -0.29 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 58.77 3ik9 h MET 51 Cb 1.10 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 33.02 3ik9 h MET 51 CO 1.01 0.29 -0.14 1.19 -0.40 0.00 0.00 176.91 178.87 3ik9 n PHE 52 N -4.50 0.10 -1.22 1.39 3.72 -1.26 -4.97 117.46 110.72 3ik9 n PHE 52 Ca 0.16 -1.15 -0.08 0.00 -0.05 0.00 0.00 57.45 56.34 3ik9 n PHE 52 Cb 0.57 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 3ik9 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ik9 n GLN 53 N -1.29 -1.30 -4.45 -1.08 1.13 -0.41 -4.97 117.38 105.02 3ik9 n GLN 53 Ca 0.18 0.70 -0.23 0.00 -1.94 0.00 0.00 57.00 55.71 3ik9 n GLN 53 Cb 0.68 -4.84 -0.10 0.00 0.11 0.00 0.00 30.24 26.09 3ik9 n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3ik9 s GLN 54 N -2.38 1.64 0.31 -1.09 -0.21 -1.26 -5.03 119.66 111.64 3ik9 s GLN 54 Ca 0.00 -1.75 0.09 0.00 0.02 0.00 0.00 55.36 53.72 3ik9 s GLN 54 Cb 0.00 -1.68 -0.05 0.00 1.00 0.00 0.00 33.01 32.28 3ik9 s GLN 54 CO 0.00 0.31 0.00 0.14 -2.12 0.00 0.00 175.29 173.62 3ik9 s VAL 55 N -2.57 2.96 0.38 1.09 -7.23 -1.26 -4.69 120.40 109.07 3ik9 s VAL 55 Ca 0.29 -1.95 -0.26 0.00 -1.81 0.00 0.00 61.98 58.25 3ik9 s VAL 55 Cb -0.04 -2.79 -0.12 0.00 0.56 0.00 0.00 36.38 33.99 3ik9 s VAL 55 CO 0.14 -0.28 1.07 -2.65 -0.31 0.00 0.00 175.10 173.07 3ik9 n PRO 56 N -0.93 1.50 -4.52 4.82 -0.02 -1.26 -4.97 135.00 129.62 3ik9 n PRO 56 Ca -0.05 0.53 -0.22 0.00 -2.02 0.00 0.00 63.50 61.74 3ik9 n PRO 56 Cb 0.61 -2.06 -0.16 0.00 -0.02 0.00 0.00 33.50 31.87 3ik9 n PRO 56 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3ik9 s MET 57 N -1.90 1.24 -0.13 -0.52 1.75 -1.05 -3.99 119.30 114.70 3ik9 s MET 57 Ca 0.61 -0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.67 3ik9 s MET 57 Cb -0.59 -1.12 0.01 0.00 2.84 0.00 0.00 34.83 35.98 3ik9 s MET 57 CO 0.58 0.14 -0.18 0.08 -0.65 0.00 0.00 175.02 174.99 3ik9 s VAL 58 N 0.21 1.78 -0.15 10.11 1.01 -0.48 -0.29 120.40 132.58 3ik9 s VAL 58 Ca -0.04 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 3ik9 s VAL 58 Cb -0.10 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3ik9 s VAL 58 CO 0.01 0.50 0.62 -1.61 0.00 0.00 0.00 175.10 174.62 3ik9 s GLU 59 N 0.97 4.30 -0.28 2.72 2.02 0.14 -1.59 118.70 126.97 3ik9 s GLU 59 Ca -0.05 0.65 -0.18 0.00 0.02 0.00 0.00 54.97 55.42 3ik9 s GLU 59 Cb -0.15 -3.52 0.10 0.00 0.10 0.00 0.00 34.13 30.67 3ik9 s GLU 59 CO -0.03 -0.08 0.82 -1.50 0.02 0.00 0.00 175.26 174.48 3ik9 s ILE 60 N 1.37 0.00 -1.19 -1.63 2.07 -0.72 -0.85 121.20 120.26 3ik9 s ILE 60 Ca 0.30 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.54 3ik9 s ILE 60 Cb -0.16 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.43 3ik9 s ILE 60 CO 0.12 0.00 0.01 0.47 -1.91 0.00 0.00 174.94 173.63 3ik9 n ASP 61 N 3.79 0.71 -0.43 4.50 8.00 -1.26 -1.06 116.55 130.80 3ik9 n ASP 61 Ca -0.18 -0.98 -0.06 0.00 0.71 0.00 0.00 54.79 54.28 3ik9 n ASP 61 Cb 0.58 -1.22 -0.02 0.00 -0.02 0.00 0.00 41.12 40.43 3ik9 n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ik9 n GLY 62 N -2.20 0.77 3.56 0.44 0.00 -1.26 -5.01 105.19 101.48 3ik9 n GLY 62 Ca -0.25 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 3ik9 n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ik9 s MET 63 N -2.03 2.02 -0.51 1.61 -1.94 -0.22 -5.10 119.30 113.12 3ik9 s MET 63 Ca 0.00 -1.35 -0.03 0.00 -1.71 0.00 0.00 55.69 52.60 3ik9 s MET 63 Cb 0.00 -2.10 0.13 0.00 2.01 0.00 0.00 34.83 34.87 3ik9 s MET 63 CO 0.00 0.41 0.31 0.15 -0.01 0.00 0.00 175.02 175.88 3ik9 s LYS 64 N -2.98 2.25 -0.21 2.03 1.02 -1.26 -1.75 119.74 118.84 3ik9 s LYS 64 Ca 0.26 -2.15 -0.17 0.00 0.02 0.00 0.00 55.97 53.92 3ik9 s LYS 64 Cb -0.08 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 3ik9 s LYS 64 CO 0.15 -1.12 0.48 -0.51 -0.92 0.00 0.00 175.35 173.43 3ik9 s LEU 65 N 0.59 4.14 0.51 3.17 1.43 -0.62 -4.92 118.68 122.98 3ik9 s LEU 65 Ca 0.12 0.60 0.06 0.00 -1.03 0.00 0.00 54.13 53.89 3ik9 s LEU 65 Cb -0.22 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.39 3ik9 s LEU 65 CO -0.04 -0.16 0.42 0.68 0.23 0.00 0.00 176.35 177.49 3ik9 s VAL 66 N 1.59 1.97 -0.00 -1.59 -7.23 -1.26 -1.38 120.40 112.50 3ik9 s VAL 66 Ca 0.22 -1.43 -0.00 0.00 -1.81 0.00 0.00 61.98 58.96 3ik9 s VAL 66 Cb -0.15 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3ik9 s VAL 66 CO 0.09 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 174.89 3ik9 n GLN 67 N -1.72 -1.38 -0.35 4.82 1.13 -1.26 -4.33 117.38 114.30 3ik9 n GLN 67 Ca 0.01 1.37 0.02 0.00 -1.94 0.00 0.00 57.00 56.46 3ik9 n GLN 67 Cb 0.63 -1.69 0.09 0.00 0.11 0.00 0.00 30.24 29.39 3ik9 n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3ik9 h THR 68 N 1.14 0.03 0.00 5.09 2.02 -1.91 0.33 112.91 119.61 3ik9 h THR 68 Ca -0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3ik9 h THR 68 Cb 0.04 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3ik9 h THR 68 CO 0.00 0.00 -0.26 0.03 0.37 0.00 0.00 175.52 175.66 3ik9 h ARG 69 N -0.01 0.00 0.05 6.66 3.08 -1.98 -0.75 114.38 121.43 3ik9 h ARG 69 Ca 0.41 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.46 3ik9 h ARG 69 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3ik9 h ARG 69 CO -0.98 0.26 -0.03 0.00 -1.07 0.00 0.00 179.97 178.16 3ik9 h ALA 70 N 1.74 -0.07 -0.17 0.04 0.00 -0.59 -1.93 119.26 118.28 3ik9 h ALA 70 Ca -0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ik9 h ALA 70 Cb 0.78 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3ik9 h ALA 70 CO 0.03 -0.40 -0.17 0.82 0.00 0.00 0.00 179.25 179.54 3ik9 h ILE 71 N -0.36 0.54 -0.16 0.00 2.04 -0.92 -2.35 117.51 116.31 3ik9 h ILE 71 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 3ik9 h ILE 71 Cb 0.32 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3ik9 h ILE 71 CO 0.01 0.00 -0.05 -0.07 0.00 0.00 0.00 178.15 178.05 3ik9 h LEU 72 N -0.19 0.32 -0.60 1.44 3.38 -1.17 -2.08 115.31 116.40 3ik9 h LEU 72 Ca 0.11 -0.38 0.09 0.00 0.09 0.00 0.00 57.88 57.80 3ik9 h LEU 72 Cb 0.36 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3ik9 h LEU 72 CO -0.29 0.62 0.21 0.78 0.09 0.00 0.00 178.44 179.86 3ik9 h ASN 73 N 0.01 0.20 -0.13 -0.43 4.21 -1.32 0.17 115.58 118.29 3ik9 h ASN 73 Ca 0.04 0.08 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 3ik9 h ASN 73 Cb 0.49 0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 3ik9 h ASN 73 CO 0.02 0.12 0.07 0.22 -1.29 0.00 0.00 177.43 176.57 3ik9 h TYR 74 N 0.39 0.17 -0.40 1.19 3.20 -1.16 -0.61 116.97 119.76 3ik9 h TYR 74 Ca 0.30 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 3ik9 h TYR 74 Cb 0.38 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3ik9 h TYR 74 CO -0.18 0.17 0.16 0.82 -1.64 0.00 0.00 178.16 177.50 3ik9 h ILE 75 N 0.13 1.19 -0.78 1.81 2.04 -1.04 -0.11 117.51 120.74 3ik9 h ILE 75 Ca 0.05 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.33 3ik9 h ILE 75 Cb 0.05 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3ik9 h ILE 75 CO -0.01 0.21 0.52 0.00 0.00 0.00 0.00 178.15 178.87 3ik9 h ALA 76 N 1.01 1.00 -0.01 1.87 0.00 -0.54 -1.75 119.26 120.84 3ik9 h ALA 76 Ca 0.13 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3ik9 h ALA 76 Cb 0.18 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ik9 h ALA 76 CO -0.01 0.39 -0.62 1.03 0.00 0.00 0.00 179.25 180.03 3ik9 h SER 77 N 1.04 0.56 -0.40 0.00 0.87 -0.87 0.96 113.55 115.71 3ik9 h SER 77 Ca 0.29 -0.75 0.06 0.00 -1.23 0.00 0.00 61.79 60.16 3ik9 h SER 77 Cb -0.09 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.64 3ik9 h SER 77 CO -0.07 1.24 0.10 0.50 -0.53 0.00 0.00 176.83 178.06 3ik9 h LYS 78 N -0.05 0.23 -0.86 2.24 3.64 -0.91 -2.65 116.57 118.21 3ik9 h LYS 78 Ca -0.07 -0.01 -0.35 0.00 -1.27 0.00 0.00 60.65 58.94 3ik9 h LYS 78 Cb 1.32 -0.05 -0.21 0.00 -0.41 0.00 0.00 32.23 32.88 3ik9 h LYS 78 CO 0.12 0.15 0.44 0.66 -2.27 0.00 0.00 179.45 178.56 3ik9 n TYR 79 N -5.07 2.74 -3.91 1.91 4.01 -0.67 -4.93 117.16 111.25 3ik9 n TYR 79 Ca 0.03 -1.49 -0.31 0.00 -0.16 0.00 0.00 57.90 55.97 3ik9 n TYR 79 Cb 0.17 -0.81 0.01 0.00 -0.31 0.00 0.00 39.34 38.40 3ik9 n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3ik9 n ASN 80 N -0.58 -4.40 -1.34 7.72 3.02 -1.00 -4.87 115.26 113.82 3ik9 n ASN 80 Ca 0.49 -0.78 0.02 0.00 -0.03 0.00 0.00 54.58 54.29 3ik9 n ASN 80 Cb 1.52 -3.54 0.28 0.00 -0.61 0.00 0.00 39.78 37.43 3ik9 n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ik9 n LEU 81 N -4.49 4.71 -1.40 3.41 4.77 0.33 -4.51 117.00 119.83 3ik9 n LEU 81 Ca 0.04 -3.20 -0.11 0.00 -0.03 0.00 0.00 56.01 52.72 3ik9 n LEU 81 Cb 0.52 -0.63 0.11 0.00 -2.33 0.00 0.00 43.42 41.09 3ik9 n LEU 81 CO 0.75 0.81 0.29 0.00 -1.33 0.00 0.00 177.39 177.90 3ik9 n TYR 82 N -0.42 1.54 -0.74 -1.77 4.19 -1.01 0.35 117.16 119.30 3ik9 n TYR 82 Ca 0.29 -1.91 0.10 0.00 3.31 0.00 0.00 57.90 59.69 3ik9 n TYR 82 Cb 1.08 -0.32 -0.03 0.00 0.49 0.00 0.00 39.34 40.56 3ik9 n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3ik9 n GLY 83 N -0.90 -1.95 0.07 2.98 0.00 -1.26 -4.49 105.19 99.64 3ik9 n GLY 83 Ca 0.33 -1.32 0.02 0.00 0.00 0.00 0.00 46.02 45.05 3ik9 n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ik9 n LYS 84 N -3.05 0.65 -3.14 1.61 2.85 -1.26 -4.95 118.16 110.88 3ik9 n LYS 84 Ca -0.01 0.01 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 3ik9 n LYS 84 Cb 0.34 -1.63 -0.03 0.00 -0.65 0.00 0.00 35.03 33.05 3ik9 n LYS 84 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3ik9 n ASP 85 N -2.62 -0.62 -0.07 -5.58 5.68 -1.26 -5.06 116.55 107.02 3ik9 n ASP 85 Ca -0.13 -2.19 -0.02 0.00 -0.50 0.00 0.00 54.79 51.94 3ik9 n ASP 85 Cb 0.81 1.26 0.22 0.00 -1.14 0.00 0.00 41.12 42.26 3ik9 n ASP 85 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3ik9 h ILE 86 N 1.61 1.22 -0.08 2.12 2.10 -1.96 -1.02 117.51 121.51 3ik9 h ILE 86 Ca -0.15 -0.89 -0.17 0.00 1.08 0.00 0.00 64.86 64.73 3ik9 h ILE 86 Cb 0.70 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.30 3ik9 h ILE 86 CO 0.21 0.31 -0.67 0.11 -1.08 0.00 0.00 178.15 177.03 3ik9 h LYS 87 N 0.65 0.34 -0.24 2.19 1.57 -1.99 -2.19 116.57 116.89 3ik9 h LYS 87 Ca 0.13 -0.26 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 3ik9 h LYS 87 Cb 0.38 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3ik9 h LYS 87 CO 0.01 0.89 -0.56 0.93 -0.57 0.00 0.00 179.45 180.15 3ik9 h GLU 88 N 0.24 0.73 -0.32 3.15 5.08 -1.86 -2.82 114.58 118.78 3ik9 h GLU 88 Ca -0.02 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 3ik9 h GLU 88 Cb 1.22 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 3ik9 h GLU 88 CO 0.11 1.10 0.03 0.00 -1.00 0.00 0.00 179.01 179.25 3ik9 h ARG 89 N 0.56 0.49 -0.53 2.33 3.08 -1.12 -0.12 114.38 119.07 3ik9 h ARG 89 Ca 0.01 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3ik9 h ARG 89 Cb 1.14 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 3ik9 h ARG 89 CO 0.12 0.49 0.20 0.00 -1.07 0.00 0.00 179.97 179.71 3ik9 h ALA 90 N 1.57 0.69 0.11 0.04 0.00 -1.24 0.22 119.26 120.65 3ik9 h ALA 90 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ik9 h ALA 90 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ik9 h ALA 90 CO 0.00 0.31 -0.06 -0.07 0.00 0.00 0.00 179.25 179.44 3ik9 h LEU 91 N 0.72 -0.13 -0.35 0.00 3.38 -1.22 -0.57 115.31 117.14 3ik9 h LEU 91 Ca 0.18 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3ik9 h LEU 91 Cb 0.21 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3ik9 h LEU 91 CO -0.01 0.11 -0.14 0.40 0.09 0.00 0.00 178.44 178.89 3ik9 h ILE 92 N -0.37 0.55 -0.71 1.22 2.04 -0.84 0.27 117.51 119.67 3ik9 h ILE 92 Ca -0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 3ik9 h ILE 92 Cb 0.30 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3ik9 h ILE 92 CO 0.03 0.00 0.22 0.44 0.00 0.00 0.00 178.15 178.83 3ik9 h ASP 93 N -0.07 1.04 -0.08 1.72 3.32 -0.57 0.10 116.42 121.88 3ik9 h ASP 93 Ca 0.18 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3ik9 h ASP 93 Cb 0.34 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3ik9 h ASP 93 CO -0.40 0.98 0.04 -0.03 -1.72 0.00 0.00 179.24 178.11 3ik9 h MET 94 N 1.05 0.12 0.25 3.56 4.05 -0.01 -1.71 114.93 122.25 3ik9 h MET 94 Ca 0.23 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 3ik9 h MET 94 Cb 0.31 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 3ik9 h MET 94 CO -0.01 0.21 -0.26 1.88 0.23 0.00 0.00 176.91 178.97 3ik9 h TYR 95 N 0.00 -0.68 0.00 1.39 0.05 -0.30 -2.82 116.97 114.61 3ik9 h TYR 95 Ca 0.03 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 3ik9 h TYR 95 Cb 0.13 0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 3ik9 h TYR 95 CO -0.03 -0.37 -0.22 -0.84 -1.05 0.00 0.00 178.16 175.65 3ik9 h ILE 96 N -0.54 0.49 -0.06 -2.88 3.07 -0.77 -1.86 117.51 114.97 3ik9 h ILE 96 Ca -0.01 -1.18 -0.14 0.00 1.55 0.00 0.00 64.86 65.08 3ik9 h ILE 96 Cb 0.50 1.83 -0.01 0.00 -0.27 0.00 0.00 36.82 38.88 3ik9 h ILE 96 CO -0.06 0.21 -0.61 -0.33 -1.05 0.00 0.00 178.15 176.32 3ik9 h GLU 97 N 0.00 0.20 -0.24 0.16 4.39 -1.25 0.16 114.58 118.00 3ik9 h GLU 97 Ca -0.00 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.59 3ik9 h GLU 97 Cb 0.82 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 3ik9 h GLU 97 CO 0.03 0.75 0.07 0.78 -1.16 0.00 0.00 179.01 179.47 3ik9 h GLY 98 N 1.53 0.28 0.94 -3.84 0.00 -1.08 -1.23 103.07 99.66 3ik9 h GLY 98 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3ik9 h GLY 98 CO 0.09 0.01 0.16 -2.22 0.00 0.00 0.00 176.54 174.58 3ik9 h ILE 99 N 0.17 1.17 -0.78 2.60 2.04 -1.22 -2.86 117.51 118.62 3ik9 h ILE 99 Ca 0.11 -0.48 0.09 0.00 1.00 0.00 0.00 64.86 65.57 3ik9 h ILE 99 Cb 0.09 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 3ik9 h ILE 99 CO -0.12 0.17 0.44 0.00 0.00 0.00 0.00 178.15 178.64 3ik9 h ALA 100 N 1.01 1.10 -0.43 1.87 0.00 -0.49 0.52 119.26 122.84 3ik9 h ALA 100 Ca 0.11 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ik9 h ALA 100 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3ik9 h ALA 100 CO -0.01 0.07 0.25 -0.44 0.00 0.00 0.00 179.25 179.12 3ik9 h ASP 101 N 0.75 0.41 -0.33 0.00 3.32 -1.01 -0.80 116.42 118.75 3ik9 h ASP 101 Ca 0.37 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 3ik9 h ASP 101 Cb 0.33 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3ik9 h ASP 101 CO -0.24 0.30 0.08 0.25 -1.72 0.00 0.00 179.24 177.91 3ik9 h LEU 102 N 0.51 0.50 -1.25 1.55 5.85 -1.12 -2.82 115.31 118.54 3ik9 h LEU 102 Ca 0.17 -0.23 0.26 0.00 0.84 0.00 0.00 57.88 58.92 3ik9 h LEU 102 Cb 0.01 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 40.80 3ik9 h LEU 102 CO -0.08 0.60 0.65 1.23 -0.34 0.00 0.00 178.44 180.50 3ik9 h GLY 103 N 0.38 1.43 1.49 3.75 0.00 0.51 -1.19 103.07 109.44 3ik9 h GLY 103 Ca 0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 3ik9 h GLY 103 CO 0.00 -0.17 -0.36 -2.09 0.00 0.00 0.00 176.54 173.92 3ik9 h GLU 104 N 0.45 0.57 -0.23 4.80 4.57 -0.90 -0.57 114.58 123.27 3ik9 h GLU 104 Ca 0.62 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 58.49 3ik9 h GLU 104 Cb 1.44 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 3ik9 h GLU 104 CO -0.35 0.85 0.03 0.52 -1.18 0.00 0.00 179.01 178.87 3ik9 h MET 105 N 0.48 0.40 -0.27 1.92 2.86 -1.19 -2.40 114.93 116.73 3ik9 h MET 105 Ca 0.05 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3ik9 h MET 105 Cb 0.85 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 3ik9 h MET 105 CO 0.07 0.55 0.10 0.82 1.06 0.00 0.00 176.91 179.51 3ik9 h ILE 106 N 0.19 0.94 -0.67 -1.22 2.04 -1.00 0.18 117.51 117.97 3ik9 h ILE 106 Ca 0.07 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3ik9 h ILE 106 Cb 0.35 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3ik9 h ILE 106 CO 0.01 0.04 0.38 0.40 0.00 0.00 0.00 178.15 178.98 3ik9 h ILE 107 N 0.22 1.20 0.00 -0.67 2.04 -1.08 -2.22 117.51 117.01 3ik9 h ILE 107 Ca 0.12 -0.47 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 3ik9 h ILE 107 Cb 0.08 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3ik9 h ILE 107 CO -0.12 0.21 -0.59 0.24 0.00 0.00 0.00 178.15 177.90 3ik9 h MET 108 N 0.93 0.00 -0.80 2.37 2.86 -1.02 -3.39 114.93 115.88 3ik9 h MET 108 Ca 0.24 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.03 3ik9 h MET 108 Cb 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.51 3ik9 h MET 108 CO -0.04 0.53 -0.27 1.25 1.06 0.00 0.00 176.91 179.43 3ik9 h LEU 109 N 0.00 -1.00 0.00 1.22 5.85 0.02 0.12 115.31 121.52 3ik9 h LEU 109 Ca -0.01 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3ik9 h LEU 109 Cb 1.42 0.58 0.00 0.00 0.37 0.00 0.00 40.66 43.03 3ik9 h LEU 109 CO 0.07 -0.29 0.00 -0.81 -0.34 0.00 0.00 178.44 177.07 3ik9 n PRO 110 N -5.50 0.10 -0.06 5.25 -0.04 -1.26 -2.44 135.00 131.05 3ik9 n PRO 110 Ca 0.10 0.22 0.06 0.00 -0.04 0.00 0.00 63.50 63.84 3ik9 n PRO 110 Cb 0.40 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.45 3ik9 n PRO 110 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ik9 n PHE 111 N -1.38 0.15 -2.18 0.54 3.72 0.41 -4.91 117.46 113.81 3ik9 n PHE 111 Ca 0.05 -0.14 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 3ik9 n PHE 111 Cb 0.12 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 3ik9 n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ik9 s PRO 113 N -1.18 3.96 0.58 0.00 0.04 -1.26 -4.73 135.00 132.41 3ik9 s PRO 113 Ca 0.51 2.22 0.30 0.00 0.04 0.00 0.00 61.00 64.07 3ik9 s PRO 113 Cb -0.38 -2.78 1.44 0.00 0.04 0.00 0.00 34.50 32.82 3ik9 s PRO 113 CO 0.47 -0.52 1.84 -1.35 0.04 0.00 0.00 177.00 177.47 3ik9 h PRO 114 N 2.69 0.00 -0.54 0.56 0.11 -1.96 0.36 132.00 133.22 3ik9 h PRO 114 Ca -0.50 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.69 3ik9 h PRO 114 Cb 1.25 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 3ik9 h PRO 114 CO 0.63 0.00 -0.22 0.39 -0.21 0.00 0.00 178.00 178.59 3ik9 n GLU 115 N -3.79 -0.13 -0.01 1.05 -0.58 -1.26 -2.88 120.64 113.05 3ik9 n GLU 115 Ca 0.12 0.84 0.11 0.00 -0.42 0.00 0.00 57.16 57.81 3ik9 n GLU 115 Cb 0.82 -1.24 -0.16 0.00 -0.57 0.00 0.00 31.44 30.29 3ik9 n GLU 115 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ik9 n GLU 116 N -4.80 0.62 -0.33 3.49 1.02 0.13 -4.55 120.64 116.21 3ik9 n GLU 116 Ca 0.05 -0.18 0.17 0.00 -0.02 0.00 0.00 57.16 57.18 3ik9 n GLU 116 Cb 0.21 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 30.47 3ik9 n GLU 116 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3ik9 h LYS 117 N 0.00 0.03 -0.13 3.49 1.57 -1.55 -0.96 116.57 119.02 3ik9 h LYS 117 Ca 0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3ik9 h LYS 117 Cb 0.95 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3ik9 h LYS 117 CO 0.00 0.02 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.40 3ik9 h ASP 118 N 0.03 0.27 -0.43 0.86 3.32 -1.80 0.32 116.42 118.98 3ik9 h ASP 118 Ca 0.64 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 3ik9 h ASP 118 Cb 1.39 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 3ik9 h ASP 118 CO -0.87 0.61 -0.02 0.00 -1.72 0.00 0.00 179.24 177.24 3ik9 h ALA 119 N 0.67 0.59 -0.74 3.45 0.00 -1.66 -0.93 119.26 120.64 3ik9 h ALA 119 Ca 0.03 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.77 3ik9 h ALA 119 Cb 0.50 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 3ik9 h ALA 119 CO 0.02 0.39 0.35 0.87 0.00 0.00 0.00 179.25 180.89 3ik9 h LYS 120 N 0.62 0.56 -0.16 0.00 6.56 -1.02 0.47 116.57 123.59 3ik9 h LYS 120 Ca 0.12 -0.03 -0.10 0.00 -1.06 0.00 0.00 60.65 59.57 3ik9 h LYS 120 Cb 0.52 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 3ik9 h LYS 120 CO 0.03 0.37 -0.31 1.25 -2.06 0.00 0.00 179.45 178.73 3ik9 h LEU 121 N 0.57 0.55 -0.35 2.94 5.85 -0.17 -1.26 115.31 123.45 3ik9 h LEU 121 Ca 0.38 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.56 3ik9 h LEU 121 Cb 0.46 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3ik9 h LEU 121 CO -0.31 1.00 0.22 0.00 -0.34 0.00 0.00 178.44 179.00 3ik9 h ALA 122 N 0.57 0.44 -0.47 1.25 0.00 -1.00 -0.45 119.26 119.60 3ik9 h ALA 122 Ca 0.01 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3ik9 h ALA 122 Cb 0.90 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3ik9 h ALA 122 CO 0.07 -0.12 0.14 1.25 0.00 0.00 0.00 179.25 180.58 3ik9 h LEU 123 N 0.44 0.11 -0.62 0.00 5.85 0.03 0.25 115.31 121.37 3ik9 h LEU 123 Ca 0.13 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3ik9 h LEU 123 Cb -0.03 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3ik9 h LEU 123 CO -0.05 0.09 0.35 0.40 -0.34 0.00 0.00 178.44 178.90 3ik9 h ILE 124 N 0.30 1.00 -0.03 4.05 2.04 -0.86 -1.93 117.51 122.07 3ik9 h ILE 124 Ca 0.23 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3ik9 h ILE 124 Cb 0.26 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3ik9 h ILE 124 CO -0.26 0.12 -0.00 0.11 0.00 0.00 0.00 178.15 178.12 3ik9 h LYS 125 N 0.67 0.06 -0.66 2.37 1.57 -0.10 -1.76 116.57 118.73 3ik9 h LYS 125 Ca 0.27 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.16 3ik9 h LYS 125 Cb 0.12 -0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.30 3ik9 h LYS 125 CO -0.15 0.37 -0.15 0.93 -0.57 0.00 0.00 179.45 179.88 3ik9 h GLU 126 N -0.25 0.01 0.00 3.15 5.08 -0.36 -1.66 114.58 120.55 3ik9 h GLU 126 Ca 0.01 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3ik9 h GLU 126 Cb 0.34 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3ik9 h GLU 126 CO 0.00 0.01 -0.36 0.87 -1.00 0.00 0.00 179.01 178.53 3ik9 h LYS 127 N 0.01 0.00 -0.16 2.33 1.57 -1.13 0.64 116.57 119.83 3ik9 h LYS 127 Ca 0.32 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.06 3ik9 h LYS 127 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 3ik9 h LYS 127 CO -0.67 0.36 -0.06 0.82 -0.57 0.00 0.00 179.45 179.33 3ik9 h ILE 128 N 0.00 1.30 0.00 1.86 2.04 -0.40 -1.01 117.51 121.29 3ik9 h ILE 128 Ca -0.00 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3ik9 h ILE 128 Cb 0.75 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3ik9 h ILE 128 CO 0.05 0.32 -0.82 0.07 0.00 0.00 0.00 178.15 177.76 3ik9 h LYS 129 N 0.00 0.00 0.04 2.37 2.10 -1.25 -2.18 116.57 117.66 3ik9 h LYS 129 Ca 0.04 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.32 3ik9 h LYS 129 Cb 0.52 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.80 3ik9 h LYS 129 CO 0.02 0.03 -2.10 0.09 -2.00 0.00 0.00 179.45 175.49 3ik9 n ASN 130 N -2.79 2.00 -0.02 7.07 3.02 0.20 -4.70 115.26 120.05 3ik9 n ASN 130 Ca 0.00 0.17 -0.03 0.00 -0.03 0.00 0.00 54.58 54.70 3ik9 n ASN 130 Cb 0.57 -0.75 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 3ik9 n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3ik9 n ARG 131 N -3.73 0.17 -0.02 3.52 0.63 -0.48 -4.73 116.66 112.01 3ik9 n ARG 131 Ca -0.40 0.07 -0.13 0.00 -0.92 0.00 0.00 57.85 56.46 3ik9 n ARG 131 Cb 0.93 -0.73 -0.10 0.00 0.45 0.00 0.00 32.46 33.02 3ik9 n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3ik9 h TYR 132 N -0.32 0.05 -0.61 -0.14 0.05 -1.41 -2.51 116.97 112.08 3ik9 h TYR 132 Ca 0.00 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 3ik9 h TYR 132 Cb 0.32 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 3ik9 h TYR 132 CO -0.14 0.55 0.05 0.74 -1.05 0.00 0.00 178.16 178.31 3ik9 h PHE 133 N -0.47 1.10 -0.19 4.88 -1.00 -1.63 -1.89 116.94 117.74 3ik9 h PHE 133 Ca 0.00 -0.17 -0.08 0.00 2.81 0.00 0.00 57.97 60.54 3ik9 h PHE 133 Cb 0.55 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 3ik9 h PHE 133 CO 0.11 0.95 -0.22 -1.35 -1.61 0.00 0.00 178.31 176.20 3ik9 h PRO 134 N 0.95 0.34 -0.54 1.51 0.11 -1.79 0.26 132.00 132.85 3ik9 h PRO 134 Ca 0.18 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 3ik9 h PRO 134 Cb 0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3ik9 h PRO 134 CO 0.02 0.55 0.22 0.00 -0.21 0.00 0.00 178.00 178.58 3ik9 h ALA 135 N 1.47 0.70 0.11 -0.75 0.00 -0.97 -0.75 119.26 119.07 3ik9 h ALA 135 Ca 0.05 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.52 3ik9 h ALA 135 Cb 0.56 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ik9 h ALA 135 CO 0.04 0.30 -1.21 0.74 0.00 0.00 0.00 179.25 179.12 3ik9 h PHE 136 N 0.73 0.91 -0.69 0.00 0.04 -1.19 -2.57 116.94 114.16 3ik9 h PHE 136 Ca 0.18 -0.57 0.09 0.00 2.80 0.00 0.00 57.97 60.47 3ik9 h PHE 136 Cb 0.19 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.20 3ik9 h PHE 136 CO 0.01 1.42 0.33 1.49 -0.60 0.00 0.00 178.31 180.95 3ik9 h GLU 137 N 0.25 0.56 -0.38 1.51 4.57 -0.43 -1.68 114.58 118.97 3ik9 h GLU 137 Ca -0.17 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 3ik9 h GLU 137 Cb 1.88 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 30.33 3ik9 h GLU 137 CO 0.23 0.37 0.15 -0.22 -1.18 0.00 0.00 179.01 178.35 3ik9 h LYS 138 N 0.57 0.58 -0.06 1.92 3.64 -1.11 0.31 116.57 122.42 3ik9 h LYS 138 Ca 0.34 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 3ik9 h LYS 138 Cb 0.36 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3ik9 h LYS 138 CO -0.27 0.56 -0.15 0.28 -2.27 0.00 0.00 179.45 177.60 3ik9 h VAL 139 N 0.48 0.63 -0.64 2.00 2.07 -1.13 0.96 116.25 120.62 3ik9 h VAL 139 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3ik9 h VAL 139 Cb 0.20 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3ik9 h VAL 139 CO -0.01 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.86 3ik9 h LEU 140 N -0.21 0.80 -0.06 2.57 3.38 -1.16 -2.71 115.31 117.91 3ik9 h LEU 140 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ik9 h LEU 140 Cb 0.31 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ik9 h LEU 140 CO -0.19 0.67 -0.00 0.50 0.09 0.00 0.00 178.44 179.51 3ik9 h LYS 141 N 0.87 0.10 -0.60 1.13 3.64 -0.16 0.21 116.57 121.77 3ik9 h LYS 141 Ca 0.22 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 3ik9 h LYS 141 Cb 0.05 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.76 3ik9 h LYS 141 CO -0.04 0.39 -0.50 0.66 -2.27 0.00 0.00 179.45 177.69 3ik9 h SER 142 N -0.20 -1.74 0.98 4.20 4.64 0.11 -2.84 113.55 118.71 3ik9 h SER 142 Ca 0.02 0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 3ik9 h SER 142 Cb 0.34 0.76 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3ik9 h SER 142 CO 0.00 -0.34 -1.03 1.12 -0.87 0.00 0.00 176.83 175.71 3ik9 h HIS 143 N -0.25 0.00 -1.83 4.77 2.07 -1.53 -3.49 115.15 114.89 3ik9 h HIS 143 Ca 0.14 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.38 3ik9 h HIS 143 Cb 0.55 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.51 3ik9 h HIS 143 CO -0.77 0.07 -0.35 0.41 -3.07 0.00 0.00 177.93 174.22 3ik9 n GLY 144 N 1.20 -0.02 3.77 6.13 0.00 0.74 -5.02 105.19 112.00 3ik9 n GLY 144 Ca -0.01 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 3ik9 n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ik9 s GLN 145 N -4.52 2.36 0.44 1.61 -0.21 -1.25 -5.04 119.66 113.05 3ik9 s GLN 145 Ca 0.00 -1.65 0.24 0.00 0.02 0.00 0.00 55.36 53.97 3ik9 s GLN 145 Cb 0.00 -2.16 0.86 0.00 1.00 0.00 0.00 33.01 32.71 3ik9 s GLN 145 CO 0.00 -0.04 1.80 -0.44 -2.12 0.00 0.00 175.29 174.48 3ik9 h ASP 146 N 1.38 0.00 -4.02 5.90 5.19 -1.94 -3.45 116.42 119.47 3ik9 h ASP 146 Ca -0.43 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.35 3ik9 h ASP 146 Cb 1.26 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 40.55 3ik9 h ASP 146 CO 0.64 0.22 -0.85 -0.31 -3.12 0.00 0.00 179.24 175.82 3ik9 s TYR 147 N -3.58 2.06 0.16 4.55 2.02 -1.26 -4.93 117.35 116.37 3ik9 s TYR 147 Ca 0.01 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 3ik9 s TYR 147 Cb 0.10 -1.12 0.04 0.00 -0.40 0.00 0.00 41.96 40.58 3ik9 s TYR 147 CO 0.64 0.28 1.80 -0.07 -1.57 0.00 0.00 175.55 176.63 3ik9 h LEU 148 N 3.96 0.38 -8.11 -1.29 3.38 -1.87 -3.41 115.31 108.35 3ik9 h LEU 148 Ca -0.49 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 56.96 3ik9 h LEU 148 Cb 1.18 -0.08 -0.32 0.00 0.09 0.00 0.00 40.66 41.53 3ik9 h LEU 148 CO 0.39 0.27 -0.82 -0.69 0.09 0.00 0.00 178.44 177.69 3ik9 s VAL 149 N -6.16 1.23 -0.23 1.22 1.01 -1.26 -4.86 120.40 111.35 3ik9 s VAL 149 Ca -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3ik9 s VAL 149 Cb 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3ik9 s VAL 149 CO 0.72 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.80 3ik9 n GLY 150 N 3.36 0.56 4.24 4.51 0.00 -1.26 -3.14 105.19 113.46 3ik9 n GLY 150 Ca -0.19 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 3ik9 n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ik9 n ASN 151 N 1.00 -3.27 -3.53 1.61 5.15 -1.26 -4.93 115.26 110.03 3ik9 n ASN 151 Ca -0.02 -1.02 -0.09 0.00 -0.60 0.00 0.00 54.58 52.85 3ik9 n ASN 151 Cb 0.09 -2.71 -0.02 0.00 -0.53 0.00 0.00 39.78 36.62 3ik9 n ASN 151 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3ik9 s LYS 152 N -6.95 1.12 0.34 1.20 -2.85 -1.19 -4.90 119.74 106.52 3ik9 s LYS 152 Ca 0.75 -0.46 -0.29 0.00 -1.00 0.00 0.00 55.97 54.97 3ik9 s LYS 152 Cb -0.41 0.48 -0.12 0.00 -2.06 0.00 0.00 37.83 35.72 3ik9 s LYS 152 CO 0.93 -0.49 1.43 -0.11 0.10 0.00 0.00 175.35 177.21 3ik9 n LEU 153 N -0.34 4.19 -4.08 2.77 7.94 -1.26 -4.61 117.00 121.60 3ik9 n LEU 153 Ca -0.11 1.20 -0.10 0.00 -1.11 0.00 0.00 56.01 55.89 3ik9 n LEU 153 Cb 0.63 -1.56 -0.09 0.00 0.53 0.00 0.00 43.42 42.93 3ik9 n LEU 153 CO 0.12 -0.10 -0.19 -0.94 -1.11 0.00 0.00 177.39 175.17 3ik9 s SER 154 N -0.07 0.20 0.55 1.96 1.04 -1.26 -4.83 113.70 111.30 3ik9 s SER 154 Ca 0.57 -1.09 0.27 0.00 0.48 0.00 0.00 55.95 56.18 3ik9 s SER 154 Cb -0.52 0.35 1.47 0.00 0.10 0.00 0.00 66.02 67.42 3ik9 s SER 154 CO 0.60 -0.80 1.97 0.08 0.98 0.00 0.00 173.24 176.08 3ik9 h ARG 155 N 2.73 0.00 -0.82 4.02 0.11 -0.48 -1.96 114.38 117.97 3ik9 h ARG 155 Ca -0.34 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.72 3ik9 h ARG 155 Cb 1.21 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.25 3ik9 h ARG 155 CO 0.55 0.00 0.44 0.00 0.10 0.00 0.00 179.97 181.06 3ik9 h ALA 156 N 1.65 1.06 -0.77 0.08 0.00 -1.89 0.22 119.26 119.60 3ik9 h ALA 156 Ca 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ik9 h ALA 156 Cb 1.05 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3ik9 h ALA 156 CO -0.00 0.58 0.29 -0.44 0.00 0.00 0.00 179.25 179.68 3ik9 h ASP 157 N 1.15 1.08 -0.25 0.00 3.32 -1.75 -1.40 116.42 118.57 3ik9 h ASP 157 Ca 0.29 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 3ik9 h ASP 157 Cb 0.05 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3ik9 h ASP 157 CO -0.04 0.97 -0.39 0.40 -1.72 0.00 0.00 179.24 178.45 3ik9 h ILE 158 N 1.13 1.31 -0.55 0.35 1.08 -1.43 -0.20 117.51 119.19 3ik9 h ILE 158 Ca 0.26 -1.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.10 3ik9 h ILE 158 Cb 0.24 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 3ik9 h ILE 158 CO -0.02 0.50 0.21 0.45 -0.69 0.00 0.00 178.15 178.60 3ik9 h HIS 159 N 0.42 0.85 0.06 1.37 3.86 -0.47 -1.20 115.15 120.03 3ik9 h HIS 159 Ca 0.02 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3ik9 h HIS 159 Cb 0.98 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.20 3ik9 h HIS 159 CO 0.08 0.70 -0.03 1.25 0.86 0.00 0.00 177.93 180.79 3ik9 h LEU 160 N 0.75 -0.06 -1.07 2.43 5.85 -1.19 -2.44 115.31 119.58 3ik9 h LEU 160 Ca 0.18 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3ik9 h LEU 160 Cb 0.22 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3ik9 h LEU 160 CO -0.01 0.10 0.61 0.58 -0.34 0.00 0.00 178.44 179.38 3ik9 h VAL 161 N -0.23 1.24 -0.34 1.05 2.07 -0.96 0.39 116.25 119.48 3ik9 h VAL 161 Ca -0.01 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.11 3ik9 h VAL 161 Cb 0.20 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 3ik9 h VAL 161 CO 0.01 0.24 0.08 -0.08 0.02 0.00 0.00 177.57 177.84 3ik9 h GLU 162 N 1.27 0.20 -0.55 1.57 4.81 -1.21 -0.96 114.58 119.72 3ik9 h GLU 162 Ca 0.34 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 3ik9 h GLU 162 Cb -0.13 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 3ik9 h GLU 162 CO -0.07 0.13 0.25 1.25 -0.73 0.00 0.00 179.01 179.84 3ik9 h LEU 163 N 0.21 0.69 -0.94 1.64 5.85 0.04 -1.93 115.31 120.86 3ik9 h LEU 163 Ca 0.16 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3ik9 h LEU 163 Cb 0.17 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3ik9 h LEU 163 CO -0.20 0.60 0.14 -0.07 -0.34 0.00 0.00 178.44 178.57 3ik9 h LEU 164 N 0.77 0.85 -0.38 2.25 3.38 0.33 -1.58 115.31 120.93 3ik9 h LEU 164 Ca 0.19 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3ik9 h LEU 164 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ik9 h LEU 164 CO -0.02 0.83 0.00 1.88 0.09 0.00 0.00 178.44 181.22 3ik9 h TYR 165 N 0.87 0.73 -0.71 1.13 0.05 -0.69 -2.17 116.97 116.18 3ik9 h TYR 165 Ca 0.19 -0.13 0.05 0.00 0.05 0.00 0.00 58.73 58.89 3ik9 h TYR 165 Cb 0.32 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.83 3ik9 h TYR 165 CO 0.02 0.76 0.47 -0.92 -1.05 0.00 0.00 178.16 177.44 3ik9 h TYR 166 N 0.50 0.79 -0.02 4.88 5.03 -1.06 -2.76 116.97 124.32 3ik9 h TYR 166 Ca 0.11 0.02 -0.21 0.00 2.58 0.00 0.00 58.73 61.23 3ik9 h TYR 166 Cb 0.47 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.48 3ik9 h TYR 166 CO 0.04 0.44 -0.86 0.28 -1.32 0.00 0.00 178.16 176.73 3ik9 h VAL 167 N 0.80 1.41 -0.57 1.81 2.07 -1.14 -2.62 116.25 118.01 3ik9 h VAL 167 Ca 0.30 -2.37 0.11 0.00 0.82 0.00 0.00 66.70 65.56 3ik9 h VAL 167 Cb 0.17 2.32 -0.09 0.00 -1.52 0.00 0.00 31.29 32.17 3ik9 h VAL 167 CO -0.09 0.71 0.04 -0.08 0.02 0.00 0.00 177.57 178.17 3ik9 h GLU 168 N 0.23 0.16 0.00 1.57 4.81 -1.12 0.21 114.58 120.43 3ik9 h GLU 168 Ca -0.06 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3ik9 h GLU 168 Cb 1.47 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 3ik9 h GLU 168 CO 0.15 0.10 -0.22 0.93 -0.73 0.00 0.00 179.01 179.23 3ik9 h GLU 169 N 0.16 0.00 0.12 1.92 5.08 -1.30 -2.84 114.58 117.73 3ik9 h GLU 169 Ca 0.29 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.35 3ik9 h GLU 169 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3ik9 h GLU 169 CO -0.45 0.22 -1.50 1.25 -1.00 0.00 0.00 179.01 177.53 3ik9 h LEU 170 N 0.00 0.39 0.00 1.33 6.46 -0.88 -3.46 115.31 119.15 3ik9 h LEU 170 Ca -0.00 -0.53 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 3ik9 h LEU 170 Cb 0.42 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 3ik9 h LEU 170 CO 0.03 1.44 0.00 -0.67 -0.62 0.00 0.00 178.44 178.62 3ik9 n ASP 171 N -3.46 0.00 0.12 1.25 4.64 0.65 -5.05 116.55 114.71 3ik9 n ASP 171 Ca -0.16 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.38 3ik9 n ASP 171 Cb 1.04 0.00 0.47 0.00 -1.04 0.00 0.00 41.12 41.59 3ik9 n ASP 171 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3ik9 n SER 172 N 0.00 0.73 0.04 1.67 3.41 -1.13 -2.61 113.62 115.72 3ik9 n SER 172 Ca 0.00 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 3ik9 n SER 172 Cb 0.00 -0.81 0.01 0.00 -0.26 0.00 0.00 64.21 63.15 3ik9 n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ik9 n SER 173 N -2.26 0.60 -0.29 4.04 3.41 -1.26 -4.14 113.62 113.72 3ik9 n SER 173 Ca 0.03 -0.09 0.06 0.00 -0.26 0.00 0.00 58.87 58.62 3ik9 n SER 173 Cb 0.29 0.80 0.21 0.00 -0.26 0.00 0.00 64.21 65.25 3ik9 n SER 173 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ik9 h LEU 174 N 0.00 0.50 0.00 1.04 3.38 -1.84 0.07 115.31 118.46 3ik9 h LEU 174 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ik9 h LEU 174 Cb 0.80 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3ik9 h LEU 174 CO 0.00 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.75 3ik9 n ILE 175 N -4.88 0.29 0.03 1.22 3.06 -1.26 -4.36 119.36 113.47 3ik9 n ILE 175 Ca 0.16 0.07 -0.12 0.00 -2.50 0.00 0.00 62.75 60.36 3ik9 n ILE 175 Cb 0.41 -0.71 -0.07 0.00 0.54 0.00 0.00 39.64 39.80 3ik9 n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3ik9 h SER 176 N 0.00 0.01 0.29 9.51 4.64 -1.18 -2.80 113.55 124.02 3ik9 h SER 176 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3ik9 h SER 176 Cb 0.18 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3ik9 h SER 176 CO 0.00 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 174.47 3ik9 n SER 177 N -5.07 0.00 -4.13 4.97 3.41 -1.26 -4.38 113.62 107.16 3ik9 n SER 177 Ca -0.07 -0.12 -0.38 0.00 -0.26 0.00 0.00 58.87 58.05 3ik9 n SER 177 Cb 0.05 -0.23 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 3ik9 n SER 177 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3ik9 s PHE 178 N -2.46 3.51 0.45 7.33 0.08 -1.06 -4.95 117.98 120.88 3ik9 s PHE 178 Ca 0.21 -2.66 0.14 0.00 0.12 0.00 0.00 56.93 54.74 3ik9 s PHE 178 Cb 0.13 -3.29 0.99 0.00 -0.57 0.00 0.00 43.02 40.28 3ik9 s PHE 178 CO 0.28 -0.85 1.99 -1.00 -0.10 0.00 0.00 175.22 175.55 3ik9 h PRO 179 N 6.98 0.02 -0.15 0.24 0.13 -1.82 -2.71 132.00 134.69 3ik9 h PRO 179 Ca 0.03 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.96 3ik9 h PRO 179 Cb 0.95 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3ik9 h PRO 179 CO 0.73 0.19 -0.71 -0.07 -0.23 0.00 0.00 178.00 177.92 3ik9 h LEU 180 N 0.02 0.74 -0.76 1.56 3.38 -1.95 -0.73 115.31 117.57 3ik9 h LEU 180 Ca 0.00 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 3ik9 h LEU 180 Cb 0.31 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ik9 h LEU 180 CO 0.02 1.23 0.08 -0.07 0.09 0.00 0.00 178.44 179.79 3ik9 h LEU 181 N 0.45 0.98 -0.50 1.67 3.38 -1.92 -0.90 115.31 118.48 3ik9 h LEU 181 Ca -0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3ik9 h LEU 181 Cb 1.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3ik9 h LEU 181 CO 0.14 0.99 0.24 0.11 0.09 0.00 0.00 178.44 180.01 3ik9 h LYS 182 N 0.96 0.72 0.58 1.13 1.57 -1.31 -1.14 116.57 119.08 3ik9 h LYS 182 Ca 0.19 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3ik9 h LYS 182 Cb 0.44 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3ik9 h LYS 182 CO 0.01 0.60 -0.36 0.00 -0.57 0.00 0.00 179.45 179.14 3ik9 h ALA 183 N 1.08 -0.91 -0.42 3.86 0.00 -1.04 -2.84 119.26 118.99 3ik9 h ALA 183 Ca 0.17 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3ik9 h ALA 183 Cb 0.12 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 3ik9 h ALA 183 CO -0.02 -1.02 -0.26 1.25 0.00 0.00 0.00 179.25 179.20 3ik9 h LEU 184 N -0.89 -0.87 -0.91 0.00 5.85 -1.00 0.13 115.31 117.61 3ik9 h LEU 184 Ca -0.07 0.18 0.26 0.00 0.84 0.00 0.00 57.88 59.09 3ik9 h LEU 184 Cb 0.72 0.44 -0.15 0.00 0.37 0.00 0.00 40.66 42.04 3ik9 h LEU 184 CO 0.07 -0.27 0.26 0.50 -0.34 0.00 0.00 178.44 178.66 3ik9 h LYS 185 N -0.18 0.17 0.22 1.25 3.64 -1.09 -1.94 116.57 118.65 3ik9 h LYS 185 Ca 0.20 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3ik9 h LYS 185 Cb 0.49 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3ik9 h LYS 185 CO -0.53 0.11 -0.10 1.15 -2.27 0.00 0.00 179.45 177.81 3ik9 h THR 186 N 0.18 0.78 -0.92 1.00 2.02 -0.55 -0.66 112.91 114.76 3ik9 h THR 186 Ca 0.59 -0.92 0.20 0.00 0.77 0.00 0.00 66.41 67.06 3ik9 h THR 186 Cb 1.26 1.25 -0.07 0.00 -1.74 0.00 0.00 68.15 68.84 3ik9 h THR 186 CO -0.70 0.18 0.60 0.03 0.37 0.00 0.00 175.52 176.00 3ik9 h ARG 187 N -0.82 0.43 0.00 6.66 3.08 -0.59 -1.52 114.38 121.62 3ik9 h ARG 187 Ca -0.03 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 59.72 3ik9 h ARG 187 Cb 0.51 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 3ik9 h ARG 187 CO 0.05 0.29 -1.65 -0.89 -1.07 0.00 0.00 179.97 176.69 3ik9 n ILE 188 N -4.54 1.55 0.40 2.04 2.08 -0.79 -3.06 119.36 117.04 3ik9 n ILE 188 Ca 0.20 -0.78 0.11 0.00 0.56 0.00 0.00 62.75 62.84 3ik9 n ILE 188 Cb 0.69 -1.00 0.46 0.00 -0.75 0.00 0.00 39.64 39.04 3ik9 n ILE 188 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3ik9 n SER 189 N -3.02 0.55 -0.41 4.38 7.64 -0.26 -2.88 113.62 119.62 3ik9 n SER 189 Ca -0.15 0.64 0.11 0.00 1.01 0.00 0.00 58.87 60.48 3ik9 n SER 189 Cb 1.02 -0.76 0.03 0.00 -1.01 0.00 0.00 64.21 63.49 3ik9 n SER 189 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3ik9 n ASN 190 N -2.11 1.79 -4.70 6.43 3.02 -0.64 -3.44 115.26 115.60 3ik9 n ASN 190 Ca 0.02 -1.37 -0.42 0.00 -0.03 0.00 0.00 54.58 52.78 3ik9 n ASN 190 Cb 0.21 0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 3ik9 n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ik9 s LEU 191 N -2.55 4.34 0.23 3.41 1.43 -1.14 -4.83 118.68 119.58 3ik9 s LEU 191 Ca 0.18 2.07 -0.17 0.00 -1.03 0.00 0.00 54.13 55.18 3ik9 s LEU 191 Cb 0.18 -3.57 0.24 0.00 0.03 0.00 0.00 46.19 43.07 3ik9 s LEU 191 CO 0.60 -0.57 1.51 -2.65 0.23 0.00 0.00 176.35 175.47 3ik9 n PRO 192 N 4.42 -0.22 -0.25 1.29 -0.02 -1.26 -0.16 135.00 138.80 3ik9 n PRO 192 Ca 0.11 1.50 -0.06 0.00 -2.02 0.00 0.00 63.50 63.02 3ik9 n PRO 192 Cb 0.45 -2.23 0.05 0.00 -0.02 0.00 0.00 33.50 31.75 3ik9 n PRO 192 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3ik9 h THR 193 N 0.00 1.23 -0.10 3.45 1.35 -1.88 0.12 112.91 117.08 3ik9 h THR 193 Ca 0.34 -0.63 -0.04 0.00 -0.55 0.00 0.00 66.41 65.54 3ik9 h THR 193 Cb 0.59 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 67.38 3ik9 h THR 193 CO -0.97 0.26 -0.09 0.58 -0.25 0.00 0.00 175.52 175.05 3ik9 h VAL 194 N 0.96 1.35 -0.32 6.82 2.07 -1.16 -0.90 116.25 125.07 3ik9 h VAL 194 Ca 0.24 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.60 3ik9 h VAL 194 Cb 0.11 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 3ik9 h VAL 194 CO -0.03 0.35 -0.18 0.50 0.02 0.00 0.00 177.57 178.23 3ik9 h LYS 195 N -0.16 -0.13 -0.32 1.57 3.64 -0.38 0.70 116.57 121.49 3ik9 h LYS 195 Ca 0.02 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 3ik9 h LYS 195 Cb 0.60 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 3ik9 h LYS 195 CO 0.02 -0.09 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.74 3ik9 h LYS 196 N -0.14 -0.10 -0.04 1.90 3.64 -0.71 -0.97 116.57 120.16 3ik9 h LYS 196 Ca 0.16 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 3ik9 h LYS 196 Cb 0.39 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3ik9 h LYS 196 CO -0.40 -0.06 -0.30 0.35 -2.27 0.00 0.00 179.45 176.76 3ik9 h PHE 197 N -0.10 0.07 0.00 1.91 3.57 0.16 -2.17 116.94 120.39 3ik9 h PHE 197 Ca 0.16 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3ik9 h PHE 197 Cb 0.35 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3ik9 h PHE 197 CO -0.36 0.37 0.00 1.28 -2.23 0.00 0.00 178.31 177.37 3ik9 n LEU 198 N -4.16 0.19 -4.85 0.59 4.77 0.23 -4.51 117.00 109.27 3ik9 n LEU 198 Ca -0.02 0.54 -0.32 0.00 -0.03 0.00 0.00 56.01 56.18 3ik9 n LEU 198 Cb 0.36 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3ik9 n LEU 198 CO 0.39 -0.27 0.65 -1.10 -1.33 0.00 0.00 177.39 175.72 3ik9 s GLN 199 N -3.07 3.92 0.53 3.23 -0.21 -0.82 -5.00 119.66 118.24 3ik9 s GLN 199 Ca 0.08 0.88 -0.21 0.00 0.02 0.00 0.00 55.36 56.13 3ik9 s GLN 199 Cb 0.11 -2.17 -0.07 0.00 1.00 0.00 0.00 33.01 31.88 3ik9 s GLN 199 CO 0.35 -0.24 1.12 -2.30 -2.12 0.00 0.00 175.29 172.10 3ik9 n PRO 200 N -1.55 1.34 -0.36 2.91 -0.01 -1.26 -2.36 135.00 133.70 3ik9 n PRO 200 Ca 0.06 0.49 0.00 0.00 -0.01 0.00 0.00 63.50 64.04 3ik9 n PRO 200 Cb 0.54 -2.28 0.00 0.00 -0.01 0.00 0.00 33.50 31.75 3ik9 n PRO 200 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3ik9 n GLY 201 N 1.06 2.26 3.55 -1.23 0.00 -1.26 -5.04 105.19 104.53 3ik9 n GLY 201 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3ik9 n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ik9 s SER 202 N -3.62 1.35 0.00 1.61 1.04 -0.99 -4.91 113.70 108.17 3ik9 s SER 202 Ca 0.00 1.23 0.14 0.00 0.48 0.00 0.00 55.95 57.81 3ik9 s SER 202 Cb 0.00 -1.91 0.69 0.00 0.10 0.00 0.00 66.02 64.91 3ik9 s SER 202 CO 0.00 -3.93 1.42 -2.65 0.98 0.00 0.00 173.24 169.06 3ik9 n PRO 203 N -4.71 0.14 -1.62 4.02 -0.02 -1.26 -4.82 135.00 126.73 3ik9 n PRO 203 Ca 0.05 0.18 -0.44 0.00 -2.02 0.00 0.00 63.50 61.27 3ik9 n PRO 203 Cb 0.56 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.53 3ik9 n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3ik9 n ARG 204 N -1.35 1.60 -4.18 -0.52 0.63 -1.26 -4.95 116.66 106.63 3ik9 n ARG 204 Ca 0.06 0.56 -0.24 0.00 -0.92 0.00 0.00 57.85 57.31 3ik9 n ARG 204 Cb 0.13 -2.02 -0.06 0.00 0.45 0.00 0.00 32.46 30.96 3ik9 n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3ik9 s LYS 205 N -1.47 2.62 0.77 -0.14 -0.14 -1.26 -4.99 119.74 115.13 3ik9 s LYS 205 Ca 0.59 -1.12 -0.12 0.00 -1.36 0.00 0.00 55.97 53.97 3ik9 s LYS 205 Cb -0.67 -2.42 0.05 0.00 -1.68 0.00 0.00 37.83 33.11 3ik9 s LYS 205 CO 0.59 0.42 1.12 -1.25 -0.76 0.00 0.00 175.35 175.48 3ik9 s PRO 206 N -3.40 2.32 0.67 -1.68 0.04 -1.26 -4.90 135.00 126.78 3ik9 s PRO 206 Ca 0.31 0.41 -0.17 0.00 0.04 0.00 0.00 61.00 61.59 3ik9 s PRO 206 Cb -0.08 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3ik9 s PRO 206 CO 0.22 -1.41 1.23 -1.25 0.04 0.00 0.00 177.00 175.83 3ik9 s PRO 207 N -5.35 2.50 0.30 0.56 0.04 -1.26 -4.38 135.00 127.41 3ik9 s PRO 207 Ca 0.60 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 63.22 3ik9 s PRO 207 Cb -0.12 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3ik9 s PRO 207 CO 0.52 -1.58 1.45 -1.25 0.04 0.00 0.00 177.00 176.18 3ik9 s PRO 208 N -3.59 4.22 0.00 0.56 0.04 -1.26 -5.00 135.00 129.97 3ik9 s PRO 208 Ca 0.78 2.40 0.00 0.00 0.04 0.00 0.00 61.00 64.22 3ik9 s PRO 208 Cb -0.32 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.17 3ik9 s PRO 208 CO 0.40 -0.44 0.00 -0.40 0.04 0.00 0.00 177.00 176.60 3ik9 n ASP 209 N 1.57 1.35 0.09 6.66 5.68 -1.26 -5.01 116.55 125.63 3ik9 n ASP 209 Ca 0.04 -0.83 -0.07 0.00 -0.50 0.00 0.00 54.79 53.43 3ik9 n ASP 209 Cb 0.40 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.36 3ik9 n ASP 209 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ik9 h GLU 210 N 0.00 0.11 -0.07 0.11 4.39 -1.99 -2.55 114.58 114.58 3ik9 h GLU 210 Ca 0.00 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.59 3ik9 h GLU 210 Cb 0.00 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3ik9 h GLU 210 CO 0.00 0.92 -0.07 0.82 -1.16 0.00 0.00 179.01 179.52 3ik9 h ILE 211 N 0.06 0.80 -0.02 3.13 2.04 -1.98 -1.16 117.51 120.38 3ik9 h ILE 211 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3ik9 h ILE 211 Cb 1.54 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 3ik9 h ILE 211 CO 0.13 0.00 -0.13 0.22 0.00 0.00 0.00 178.15 178.37 3ik9 h TYR 212 N -0.09 -0.33 -0.92 1.37 3.20 -1.91 -0.07 116.97 118.23 3ik9 h TYR 212 Ca 0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3ik9 h TYR 212 Cb 0.17 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 3ik9 h TYR 212 CO -0.17 -0.19 0.58 0.28 -1.64 0.00 0.00 178.16 177.02 3ik9 h VAL 213 N -0.21 1.24 0.00 1.81 2.07 -1.27 -1.72 116.25 118.17 3ik9 h VAL 213 Ca 0.05 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 3ik9 h VAL 213 Cb 0.27 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 3ik9 h VAL 213 CO -0.14 0.25 -0.54 -0.09 0.02 0.00 0.00 177.57 177.07 3ik9 h ARG 214 N 1.26 0.00 0.05 1.57 2.43 -0.97 -2.88 114.38 115.84 3ik9 h ARG 214 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3ik9 h ARG 214 Cb -0.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3ik9 h ARG 214 CO -0.07 0.54 -0.04 0.00 -1.51 0.00 0.00 179.97 178.89 3ik9 h THR 215 N 0.00 0.90 0.00 0.20 1.03 -0.08 -3.06 112.91 111.90 3ik9 h THR 215 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.26 3ik9 h THR 215 Cb 1.12 0.90 -0.02 0.00 -1.07 0.00 0.00 68.15 69.09 3ik9 h THR 215 CO 0.07 0.00 -0.66 -0.37 -0.01 0.00 0.00 175.52 174.55 3ik9 h VAL 216 N -0.10 1.38 -0.27 0.00 -1.51 -1.47 -2.14 116.25 112.14 3ik9 h VAL 216 Ca 0.00 -2.32 -0.00 0.00 -1.23 0.00 0.00 66.70 63.15 3ik9 h VAL 216 Cb 0.09 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 3ik9 h VAL 216 CO -0.01 0.65 0.17 1.88 -1.23 0.00 0.00 177.57 179.03 3ik9 h TYR 217 N 0.00 0.35 -0.00 5.19 0.99 -1.51 -2.70 116.97 119.30 3ik9 h TYR 217 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3ik9 h TYR 217 Cb 1.23 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.84 3ik9 h TYR 217 CO 0.00 0.25 -0.09 0.27 -0.00 0.00 0.00 178.16 178.59 3ik9 n ASN 218 N -4.88 0.26 0.15 3.88 6.94 -1.16 -2.70 115.26 117.76 3ik9 n ASN 218 Ca -0.02 -0.26 0.13 0.00 -0.02 0.00 0.00 54.58 54.41 3ik9 n ASN 218 Cb 0.04 -0.17 0.42 0.00 -2.36 0.00 0.00 39.78 37.71 3ik9 n ASN 218 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3ik9 h ILE 219 N 0.26 0.00 -0.01 1.53 2.04 -1.05 -3.40 117.51 116.89 3ik9 h ILE 219 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3ik9 h ILE 219 Cb 0.37 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3ik9 h ILE 219 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.64