#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 0.80 -0.01 0.00 2.12 -1.26 -5.14 118.70 115.20 3ik9 s GLU 3 Ca 0.00 0.36 -0.30 0.00 0.36 0.00 0.00 54.97 55.38 3ik9 s GLU 3 Cb 0.00 0.38 -0.05 0.00 0.26 0.00 0.00 34.13 34.72 3ik9 s GLU 3 CO 0.00 -0.22 1.30 0.15 -0.54 0.00 0.00 175.26 175.96 3ik9 s LYS 4 N -0.79 4.32 0.38 4.30 1.02 -1.26 -4.91 119.74 122.80 3ik9 s LYS 4 Ca -0.05 1.84 -0.28 0.00 0.02 0.00 0.00 55.97 57.50 3ik9 s LYS 4 Cb -0.01 -3.54 -0.11 0.00 -0.52 0.00 0.00 37.83 33.65 3ik9 s LYS 4 CO 0.04 -0.50 1.49 -2.14 -0.92 0.00 0.00 175.35 173.32 3ik9 s PRO 5 N 2.19 4.08 -0.36 -1.68 0.02 -1.26 -4.81 135.00 133.17 3ik9 s PRO 5 Ca 0.60 2.58 -0.01 0.00 0.02 0.00 0.00 61.00 64.19 3ik9 s PRO 5 Cb -0.29 -2.95 0.09 0.00 0.02 0.00 0.00 34.50 31.38 3ik9 s PRO 5 CO 0.25 -0.56 0.11 0.21 -0.33 0.00 0.00 177.00 176.68 3ik9 s LYS 6 N -2.13 2.03 -0.39 5.54 2.20 -0.46 -1.97 119.74 124.55 3ik9 s LYS 6 Ca 0.53 -1.67 -0.24 0.00 -0.36 0.00 0.00 55.97 54.23 3ik9 s LYS 6 Cb -0.47 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.48 3ik9 s LYS 6 CO 0.63 -0.92 0.85 -0.51 -0.36 0.00 0.00 175.35 175.04 3ik9 s LEU 7 N 1.13 4.09 -0.32 5.43 1.02 0.01 -2.61 118.68 127.42 3ik9 s LEU 7 Ca 0.05 0.31 -0.15 0.00 0.02 0.00 0.00 54.13 54.35 3ik9 s LEU 7 Cb -0.21 -3.11 -0.02 0.00 0.02 0.00 0.00 46.19 42.87 3ik9 s LEU 7 CO -0.04 -0.85 0.38 -1.00 0.02 0.00 0.00 176.35 174.87 3ik9 s HIS 8 N 3.34 3.21 0.15 0.29 3.76 0.94 -2.28 115.29 124.70 3ik9 s HIS 8 Ca 0.34 0.12 -0.25 0.00 -0.15 0.00 0.00 55.06 55.12 3ik9 s HIS 8 Cb -0.12 -2.68 0.07 0.00 1.11 0.00 0.00 32.58 30.96 3ik9 s HIS 8 CO 0.20 -0.39 1.02 -0.47 -0.85 0.00 0.00 174.74 174.24 3ik9 s TYR 9 N 2.08 -0.06 0.69 1.40 5.04 -1.18 -2.60 117.35 122.72 3ik9 s TYR 9 Ca 0.13 -0.25 -0.16 0.00 -2.44 0.00 0.00 57.07 54.35 3ik9 s TYR 9 Cb -0.16 0.65 0.02 0.00 0.35 0.00 0.00 41.96 42.81 3ik9 s TYR 9 CO 0.11 -0.80 1.23 -0.06 -1.34 0.00 0.00 175.55 174.70 3ik9 s PHE 10 N -2.87 2.09 -0.76 4.97 0.40 -1.26 -1.05 117.98 119.51 3ik9 s PHE 10 Ca 0.15 1.56 -0.26 0.00 -0.60 0.00 0.00 56.93 57.78 3ik9 s PHE 10 Cb -0.01 -3.54 -0.00 0.00 0.51 0.00 0.00 43.02 39.97 3ik9 s PHE 10 CO 0.03 -2.67 1.66 1.21 0.70 0.00 0.00 175.22 176.15 3ik9 s ASN 11 N -1.78 5.65 0.00 1.36 2.47 -1.26 -4.77 114.94 116.62 3ik9 s ASN 11 Ca 0.77 -0.31 0.00 0.00 0.42 0.00 0.00 52.86 53.74 3ik9 s ASN 11 Cb -0.32 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.93 3ik9 s ASN 11 CO 0.42 -2.18 0.00 0.61 -3.72 0.00 0.00 177.10 172.23 3ik9 n GLY 12 N 5.99 2.12 0.00 1.21 0.00 -1.26 -4.98 105.19 108.27 3ik9 n GLY 12 Ca 0.21 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.24 0.00 0.00 1.61 1.74 -1.26 -4.79 116.66 112.72 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 -0.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 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 1.58 3.64 0.00 -0.13 0.00 -1.26 -2.62 105.19 106.39 3ik9 n GLY 14 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 0.02 0.03 1.61 1.74 -1.26 -4.12 116.66 128.68 3ik9 n ARG 15 Ca 0.00 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 3ik9 n ARG 15 Cb 0.00 -1.51 0.10 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.54 0.22 -0.16 5.56 1.56 -1.08 -4.43 117.12 117.25 3ik9 n MET 16 Ca 0.05 0.02 -0.09 0.00 -0.27 0.00 0.00 57.70 57.41 3ik9 n MET 16 Cb 0.34 -1.59 0.05 0.00 2.15 0.00 0.00 33.22 34.17 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 0.96 0.00 2.12 4.57 -1.70 -2.39 114.58 118.14 3ik9 h GLU 17 Ca 0.00 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 57.84 3ik9 h GLU 17 Cb 0.68 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3ik9 h GLU 17 CO 0.00 1.00 -0.01 0.66 -1.18 0.00 0.00 179.01 179.48 3ik9 h SER 18 N 0.86 0.00 -0.04 1.04 4.64 -1.85 -0.98 113.55 117.22 3ik9 h SER 18 Ca 0.14 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 3ik9 h SER 18 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3ik9 h SER 18 CO 0.04 0.01 -0.21 0.74 -0.87 0.00 0.00 176.83 176.55 3ik9 h THR 19 N 0.00 1.47 -0.63 2.95 2.02 -1.71 -2.25 112.91 114.75 3ik9 h THR 19 Ca -0.00 -1.68 0.12 0.00 0.77 0.00 0.00 66.41 65.62 3ik9 h THR 19 Cb 0.02 2.44 -0.09 0.00 -1.74 0.00 0.00 68.15 68.78 3ik9 h THR 19 CO 0.00 0.47 0.13 0.03 0.37 0.00 0.00 175.52 176.52 3ik9 h ARG 20 N -0.35 0.25 -0.44 6.66 3.08 -1.14 0.89 114.38 123.33 3ik9 h ARG 20 Ca -0.01 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3ik9 h ARG 20 Cb 0.87 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 3ik9 h ARG 20 CO 0.04 0.17 0.27 -1.49 -1.07 0.00 0.00 179.97 177.89 3ik9 h TRP 21 N 0.26 0.51 -0.10 3.04 4.06 -1.21 -0.58 115.95 121.92 3ik9 h TRP 21 Ca 0.33 0.01 -0.06 0.00 2.06 0.00 0.00 58.89 61.24 3ik9 h TRP 21 Cb 0.51 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 3ik9 h TRP 21 CO -0.26 0.30 -0.17 1.25 -3.56 0.00 0.00 178.44 176.01 3ik9 h LEU 22 N 0.55 0.33 -0.41 -4.49 5.85 -0.32 0.17 115.31 116.98 3ik9 h LEU 22 Ca 0.17 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 3ik9 h LEU 22 Cb -0.02 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3ik9 h LEU 22 CO -0.06 0.80 0.24 -0.07 -0.34 0.00 0.00 178.44 179.01 3ik9 h LEU 23 N -0.14 0.50 -0.77 2.25 3.38 0.67 -1.19 115.31 120.01 3ik9 h LEU 23 Ca 0.01 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3ik9 h LEU 23 Cb 0.74 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3ik9 h LEU 23 CO 0.04 0.42 0.05 0.00 0.09 0.00 0.00 178.44 179.04 3ik9 h ALA 24 N 1.10 0.97 0.00 1.53 0.00 -1.09 0.09 119.26 121.86 3ik9 h ALA 24 Ca 0.15 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3ik9 h ALA 24 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ik9 h ALA 24 CO -0.03 0.63 -0.26 0.00 0.00 0.00 0.00 179.25 179.60 3ik9 h ALA 25 N 1.13 1.46 -0.25 0.00 0.00 -0.39 -2.38 119.26 118.83 3ik9 h ALA 25 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ik9 h ALA 25 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ik9 h ALA 25 CO 0.02 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3ik9 n ALA 26 N -2.44 2.49 -1.06 0.00 0.00 -0.47 -4.79 120.51 114.23 3ik9 n ALA 26 Ca -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 53.44 52.76 3ik9 n ALA 26 Cb 0.32 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.22 0.43 3.58 0.00 0.00 -0.90 -5.01 105.19 104.52 3ik9 n GLY 27 Ca 0.17 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.03 4.87 0.29 1.61 1.01 -0.03 -5.02 120.40 121.11 3ik9 s VAL 28 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 3ik9 s VAL 28 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 3ik9 s VAL 28 CO 0.00 0.36 0.87 -1.61 0.00 0.00 0.00 175.10 174.72 3ik9 s GLU 29 N 1.16 4.47 0.09 2.72 2.02 -1.26 -4.24 118.70 123.66 3ik9 s GLU 29 Ca 0.06 1.18 -0.08 0.00 0.02 0.00 0.00 54.97 56.14 3ik9 s GLU 29 Cb -0.14 -2.82 -0.00 0.00 0.10 0.00 0.00 34.13 31.27 3ik9 s GLU 29 CO 0.04 0.31 0.19 -0.59 0.02 0.00 0.00 175.26 175.23 3ik9 s PHE 30 N -1.59 0.17 0.15 1.61 -0.12 -1.26 -4.04 117.98 112.89 3ik9 s PHE 30 Ca 0.48 -0.60 0.04 0.00 -0.05 0.00 0.00 56.93 56.80 3ik9 s PHE 30 Cb -0.18 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 3ik9 s PHE 30 CO 0.23 -0.55 0.14 -1.21 -0.05 0.00 0.00 175.22 173.78 3ik9 s GLU 31 N -3.87 2.96 -0.15 1.99 2.02 -0.83 -5.00 118.70 115.81 3ik9 s GLU 31 Ca 0.06 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.24 3ik9 s GLU 31 Cb 0.05 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.60 3ik9 s GLU 31 CO -0.11 0.50 -0.16 -1.21 0.02 0.00 0.00 175.26 174.31 3ik9 s GLU 32 N -2.99 2.49 -0.60 1.61 2.02 -1.26 -0.81 118.70 119.15 3ik9 s GLU 32 Ca 0.31 -0.63 -0.18 0.00 0.02 0.00 0.00 54.97 54.49 3ik9 s GLU 32 Cb -0.11 -2.21 0.12 0.00 0.10 0.00 0.00 34.13 32.03 3ik9 s GLU 32 CO 0.24 -0.21 0.65 0.21 0.02 0.00 0.00 175.26 176.17 3ik9 s LYS 33 N 1.38 3.07 0.38 1.61 2.36 -0.97 -4.96 119.74 122.62 3ik9 s LYS 33 Ca 0.04 -1.54 -0.24 0.00 -2.55 0.00 0.00 55.97 51.68 3ik9 s LYS 33 Cb -0.13 -4.31 -0.10 0.00 -1.05 0.00 0.00 37.83 32.24 3ik9 s LYS 33 CO -0.10 -1.46 0.98 -0.06 1.55 0.00 0.00 175.35 176.26 3ik9 s PHE 34 N 2.16 3.44 -0.47 4.03 0.08 -1.26 -3.09 117.98 122.86 3ik9 s PHE 34 Ca 0.09 1.69 -0.14 0.00 0.12 0.00 0.00 56.93 58.69 3ik9 s PHE 34 Cb -0.25 -2.98 0.08 0.00 -0.57 0.00 0.00 43.02 39.31 3ik9 s PHE 34 CO 0.04 -0.17 0.38 0.42 -0.10 0.00 0.00 175.22 175.78 3ik9 s ILE 35 N -1.78 4.98 -0.15 0.64 1.01 -0.21 -4.92 121.20 120.77 3ik9 s ILE 35 Ca 0.56 -1.22 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 3ik9 s ILE 35 Cb -0.17 -4.03 -0.24 0.00 0.01 0.00 0.00 42.46 38.02 3ik9 s ILE 35 CO 0.22 -0.61 0.68 0.11 0.00 0.00 0.00 174.94 175.34 3ik9 h LYS 36 N 8.69 0.00 -6.10 2.79 1.79 -1.95 -3.41 116.57 118.38 3ik9 h LYS 36 Ca -0.27 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.65 3ik9 h LYS 36 Cb 1.10 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.67 3ik9 h LYS 36 CO 0.87 0.97 -0.56 -1.54 -1.08 0.00 0.00 179.45 178.11 3ik9 s SER 37 N -6.27 4.62 0.57 0.86 1.04 -1.26 -4.88 113.70 108.38 3ik9 s SER 37 Ca -0.20 -0.77 0.31 0.00 0.48 0.00 0.00 55.95 55.77 3ik9 s SER 37 Cb -0.02 -0.73 1.75 0.00 0.10 0.00 0.00 66.02 67.12 3ik9 s SER 37 CO 0.66 -0.25 2.19 0.00 0.98 0.00 0.00 173.24 176.82 3ik9 h ALA 38 N 1.62 1.34 -0.26 5.32 0.00 -1.81 -2.89 119.26 122.58 3ik9 h ALA 38 Ca -0.44 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 3ik9 h ALA 38 Cb 1.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ik9 h ALA 38 CO 0.63 0.06 -0.55 0.93 0.00 0.00 0.00 179.25 180.32 3ik9 h GLU 39 N 0.00 0.78 -0.20 0.00 3.07 -1.95 -2.40 114.58 113.89 3ik9 h GLU 39 Ca -0.00 -0.49 -0.03 0.00 -0.50 0.00 0.00 59.36 58.33 3ik9 h GLU 39 Cb 0.15 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3ik9 h GLU 39 CO 0.01 1.12 -0.03 -0.44 -1.40 0.00 0.00 179.01 178.27 3ik9 h ASP 40 N 0.60 0.27 -0.13 1.42 3.32 -1.92 -0.83 116.42 119.15 3ik9 h ASP 40 Ca 0.01 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3ik9 h ASP 40 Cb 1.14 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3ik9 h ASP 40 CO 0.12 0.34 -0.18 0.25 -1.72 0.00 0.00 179.24 178.04 3ik9 h LEU 41 N 0.28 0.38 -1.07 1.55 5.85 -1.50 -2.51 115.31 118.30 3ik9 h LEU 41 Ca 0.07 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.30 3ik9 h LEU 41 Cb 0.24 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3ik9 h LEU 41 CO 0.01 0.83 0.63 0.44 -0.34 0.00 0.00 178.44 180.00 3ik9 h ASP 42 N -0.06 1.04 0.03 1.25 3.32 -1.17 -1.46 116.42 119.36 3ik9 h ASP 42 Ca 0.01 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.08 3ik9 h ASP 42 Cb 0.74 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3ik9 h ASP 42 CO 0.04 0.71 -0.20 0.50 -1.72 0.00 0.00 179.24 178.57 3ik9 h LYS 43 N 1.20 -0.33 -0.45 3.56 1.63 -1.05 -1.30 116.57 119.84 3ik9 h LYS 43 Ca 0.38 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.14 3ik9 h LYS 43 Cb 0.02 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 3ik9 h LYS 43 CO -0.12 -0.22 0.04 -0.07 -3.45 0.00 0.00 179.45 175.63 3ik9 h LEU 44 N -0.34 0.74 0.31 5.20 3.38 -1.10 -2.71 115.31 120.79 3ik9 h LEU 44 Ca 0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ik9 h LEU 44 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3ik9 h LEU 44 CO -0.17 0.84 -0.26 0.03 0.09 0.00 0.00 178.44 178.97 3ik9 h ARG 45 N 0.62 -0.56 0.00 1.13 3.08 -1.18 -2.57 114.38 114.90 3ik9 h ARG 45 Ca 0.13 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3ik9 h ARG 45 Cb 0.44 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3ik9 h ARG 45 CO 0.02 -0.37 -0.06 -0.91 -1.07 0.00 0.00 179.97 177.57 3ik9 h ASN 46 N -0.58 0.00 0.91 7.04 2.35 -1.27 -1.24 115.58 122.78 3ik9 h ASN 46 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3ik9 h ASN 46 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3ik9 h ASN 46 CO -0.03 0.06 0.00 0.47 -1.65 0.00 0.00 177.43 176.28 3ik9 n ASP 47 N -3.24 0.28 -1.24 5.81 8.00 -1.02 -4.93 116.55 120.20 3ik9 n ASP 47 Ca -0.01 0.54 -0.05 0.00 0.71 0.00 0.00 54.79 55.98 3ik9 n ASP 47 Cb 0.26 -0.61 0.02 0.00 -0.02 0.00 0.00 41.12 40.77 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 0.78 0.58 0.07 0.44 0.00 -0.47 -4.98 105.19 101.61 3ik9 n GLY 48 Ca 0.05 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.93 0.00 -3.58 1.61 4.02 -0.98 -4.82 117.16 110.48 3ik9 n TYR 49 Ca -0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.48 3ik9 n TYR 49 Cb 0.52 -0.80 -0.09 0.00 -0.02 0.00 0.00 39.34 38.95 3ik9 n TYR 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3ik9 s LEU 50 N -5.10 5.68 0.29 7.72 1.43 -1.26 -4.90 118.68 122.54 3ik9 s LEU 50 Ca -0.09 -2.02 0.04 0.00 -1.03 0.00 0.00 54.13 51.03 3ik9 s LEU 50 Cb 0.09 -1.99 0.74 0.00 0.03 0.00 0.00 46.19 45.05 3ik9 s LEU 50 CO 0.83 -0.65 1.71 -0.03 0.23 0.00 0.00 176.35 178.43 3ik9 h MET 51 N 8.29 0.43 -0.26 1.70 1.85 -1.87 -0.21 114.93 124.86 3ik9 h MET 51 Ca -0.18 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 58.82 3ik9 h MET 51 Cb 1.06 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.95 3ik9 h MET 51 CO 0.83 0.29 -0.04 1.19 -0.40 0.00 0.00 176.91 178.78 3ik9 n PHE 52 N -5.01 0.86 -1.87 1.39 3.72 -1.26 -4.95 117.46 110.35 3ik9 n PHE 52 Ca 0.22 -1.18 -0.14 0.00 -0.05 0.00 0.00 57.45 56.31 3ik9 n PHE 52 Cb 0.65 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 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 -0.88 -1.05 -4.25 -1.08 1.13 -0.09 -5.00 117.38 106.16 3ik9 n GLN 53 Ca 0.25 0.82 -0.14 0.00 -1.94 0.00 0.00 57.00 55.99 3ik9 n GLN 53 Cb 0.91 -5.01 -0.10 0.00 0.11 0.00 0.00 30.24 26.15 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 -3.99 1.08 0.29 -1.09 -0.21 -1.26 -5.04 119.66 109.43 3ik9 s GLN 54 Ca 0.00 -1.47 0.11 0.00 0.02 0.00 0.00 55.36 54.02 3ik9 s GLN 54 Cb 0.00 -0.59 -0.05 0.00 1.00 0.00 0.00 33.01 33.37 3ik9 s GLN 54 CO 0.00 0.04 -0.17 0.14 -2.12 0.00 0.00 175.29 173.19 3ik9 s VAL 55 N -3.37 2.31 0.31 1.09 -7.23 -1.26 -4.62 120.40 107.64 3ik9 s VAL 55 Ca 0.18 -2.33 -0.29 0.00 -1.81 0.00 0.00 61.98 57.73 3ik9 s VAL 55 Cb 0.03 -2.35 -0.12 0.00 0.56 0.00 0.00 36.38 34.50 3ik9 s VAL 55 CO 0.01 -0.37 1.40 -2.65 -0.31 0.00 0.00 175.10 173.18 3ik9 n PRO 56 N -0.63 2.29 -4.59 4.82 -0.02 -1.26 -4.98 135.00 130.63 3ik9 n PRO 56 Ca -0.05 0.81 -0.25 0.00 -2.02 0.00 0.00 63.50 61.98 3ik9 n PRO 56 Cb 0.61 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.46 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 -1.27 1.78 -0.19 -0.52 1.75 -1.07 -3.64 119.30 116.14 3ik9 s MET 57 Ca 0.60 -0.44 0.01 0.00 -1.25 0.00 0.00 55.69 54.61 3ik9 s MET 57 Cb -0.56 -1.47 0.04 0.00 2.84 0.00 0.00 34.83 35.67 3ik9 s MET 57 CO 0.57 0.02 -0.12 0.08 -0.65 0.00 0.00 175.02 174.92 3ik9 s VAL 58 N 0.70 1.73 0.10 10.11 1.01 -0.55 -0.04 120.40 133.45 3ik9 s VAL 58 Ca -0.14 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 3ik9 s VAL 58 Cb -0.16 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 3ik9 s VAL 58 CO 0.03 0.24 1.06 -1.61 0.00 0.00 0.00 175.10 174.82 3ik9 s GLU 59 N 1.37 4.58 -0.29 2.72 2.02 -1.07 -2.49 118.70 125.54 3ik9 s GLU 59 Ca -0.00 1.59 -0.21 0.00 0.02 0.00 0.00 54.97 56.36 3ik9 s GLU 59 Cb -0.16 -3.36 0.15 0.00 0.10 0.00 0.00 34.13 30.87 3ik9 s GLU 59 CO -0.09 0.02 1.12 -1.50 0.02 0.00 0.00 175.26 174.84 3ik9 s ILE 60 N 0.35 0.00 -1.70 -1.63 2.07 -1.22 -1.36 121.20 117.71 3ik9 s ILE 60 Ca 0.51 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.58 3ik9 s ILE 60 Cb -0.26 -1.00 0.15 0.00 0.13 0.00 0.00 42.46 41.48 3ik9 s ILE 60 CO 0.31 0.00 0.69 0.47 -1.91 0.00 0.00 174.94 174.49 3ik9 n ASP 61 N 2.62 -2.59 0.00 4.50 8.00 -1.26 -1.06 116.55 126.76 3ik9 n ASP 61 Ca -0.14 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.29 3ik9 n ASP 61 Cb 0.57 -2.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.12 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 -1.46 0.88 3.98 0.44 0.00 -1.26 -5.04 105.19 102.74 3ik9 n GLY 62 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.22 2.29 -0.48 1.61 -1.94 -0.23 -5.08 119.30 115.25 3ik9 s MET 63 Ca 0.00 -1.79 0.06 0.00 -1.71 0.00 0.00 55.69 52.25 3ik9 s MET 63 Cb 0.00 -2.43 0.21 0.00 2.01 0.00 0.00 34.83 34.62 3ik9 s MET 63 CO 0.00 -0.77 0.48 1.63 -0.01 0.00 0.00 175.02 176.36 3ik9 n LYS 64 N -2.05 0.92 -2.50 2.03 5.02 -1.26 -3.41 118.16 116.90 3ik9 n LYS 64 Ca 0.09 -3.58 -0.42 0.00 -2.02 0.00 0.00 58.31 52.38 3ik9 n LYS 64 Cb 0.63 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 3ik9 n LYS 64 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ik9 s LEU 65 N -0.94 4.30 0.48 -0.35 1.43 -1.04 -4.88 118.68 117.69 3ik9 s LEU 65 Ca 0.34 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 55.30 3ik9 s LEU 65 Cb 0.09 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.76 3ik9 s LEU 65 CO -0.14 -0.52 0.38 0.68 0.23 0.00 0.00 176.35 176.99 3ik9 s VAL 66 N 1.89 2.11 -0.01 -1.59 -7.23 -1.26 -1.48 120.40 112.83 3ik9 s VAL 66 Ca 0.55 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 3ik9 s VAL 66 Cb -0.24 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.14 3ik9 s VAL 66 CO 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 175.03 3ik9 n GLN 67 N -1.64 -1.04 -0.30 4.82 1.13 -1.24 -4.56 117.38 114.55 3ik9 n GLN 67 Ca 0.01 1.16 0.13 0.00 -1.94 0.00 0.00 57.00 56.36 3ik9 n GLN 67 Cb 0.63 -1.47 0.31 0.00 0.11 0.00 0.00 30.24 29.82 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 0.86 0.47 0.00 5.09 2.02 -1.91 0.23 112.91 119.67 3ik9 h THR 68 Ca -0.03 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 3ik9 h THR 68 Cb 0.06 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 3ik9 h THR 68 CO 0.00 0.07 -0.33 0.03 0.37 0.00 0.00 175.52 175.67 3ik9 h ARG 69 N 0.39 0.00 0.02 6.66 3.08 -1.98 0.15 114.38 122.70 3ik9 h ARG 69 Ca 0.56 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.40 3ik9 h ARG 69 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 3ik9 h ARG 69 CO -0.53 0.33 -0.94 0.00 -1.07 0.00 0.00 179.97 177.75 3ik9 h ALA 70 N 1.67 0.43 -0.03 0.04 0.00 -0.82 -1.74 119.26 118.81 3ik9 h ALA 70 Ca -0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 3ik9 h ALA 70 Cb 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ik9 h ALA 70 CO 0.04 0.92 -0.06 0.82 0.00 0.00 0.00 179.25 180.97 3ik9 h ILE 71 N 0.12 1.44 -0.66 0.00 2.04 -0.91 -2.51 117.51 117.04 3ik9 h ILE 71 Ca -0.06 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.37 3ik9 h ILE 71 Cb 1.59 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 39.95 3ik9 h ILE 71 CO 0.15 0.37 0.26 -0.07 0.00 0.00 0.00 178.15 178.86 3ik9 h LEU 72 N -0.46 0.91 -0.47 1.44 3.38 -1.07 -1.00 115.31 118.04 3ik9 h LEU 72 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3ik9 h LEU 72 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3ik9 h LEU 72 CO 0.01 0.84 0.25 0.78 0.09 0.00 0.00 178.44 180.41 3ik9 h ASN 73 N 0.93 0.59 0.11 -0.43 2.35 -1.39 0.59 115.58 118.33 3ik9 h ASN 73 Ca 0.22 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3ik9 h ASN 73 Cb 0.21 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3ik9 h ASN 73 CO -0.02 0.52 -0.05 0.22 -1.65 0.00 0.00 177.43 176.45 3ik9 h TYR 74 N 0.62 -0.14 -0.26 1.19 3.20 -1.21 -0.75 116.97 119.61 3ik9 h TYR 74 Ca 0.16 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.08 3ik9 h TYR 74 Cb 0.07 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 3ik9 h TYR 74 CO -0.02 0.15 -0.02 0.82 -1.64 0.00 0.00 178.16 177.45 3ik9 h ILE 75 N -0.43 0.78 -0.84 1.81 2.04 -1.25 -1.74 117.51 117.88 3ik9 h ILE 75 Ca -0.02 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.90 3ik9 h ILE 75 Cb 0.35 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 3ik9 h ILE 75 CO 0.03 0.01 0.51 0.00 0.00 0.00 0.00 178.15 178.69 3ik9 h ALA 76 N 1.24 1.17 -0.07 1.87 0.00 -0.77 -2.27 119.26 120.43 3ik9 h ALA 76 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3ik9 h ALA 76 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ik9 h ALA 76 CO -0.23 0.22 -0.20 1.03 0.00 0.00 0.00 179.25 180.06 3ik9 h SER 77 N 0.91 0.29 -0.95 0.00 0.87 -1.05 0.22 113.55 113.85 3ik9 h SER 77 Ca 0.38 -0.61 0.06 0.00 -1.23 0.00 0.00 61.79 60.39 3ik9 h SER 77 Cb 0.23 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 3ik9 h SER 77 CO -0.19 0.85 0.61 0.50 -0.53 0.00 0.00 176.83 178.07 3ik9 h LYS 78 N -0.25 1.06 -0.75 2.24 3.64 -1.00 -1.80 116.57 119.70 3ik9 h LYS 78 Ca -0.01 -0.06 -0.43 0.00 -1.27 0.00 0.00 60.65 58.88 3ik9 h LYS 78 Cb 0.82 -0.24 -0.24 0.00 -0.41 0.00 0.00 32.23 32.16 3ik9 h LYS 78 CO 0.04 0.70 0.32 0.66 -2.27 0.00 0.00 179.45 178.91 3ik9 n TYR 79 N -4.49 2.37 -2.89 1.91 4.01 -0.88 -4.95 117.16 112.23 3ik9 n TYR 79 Ca 0.14 -1.99 -0.15 0.00 -0.16 0.00 0.00 57.90 55.74 3ik9 n TYR 79 Cb 0.19 -0.83 -0.01 0.00 -0.31 0.00 0.00 39.34 38.39 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 -1.07 -3.21 -1.49 7.72 3.02 -0.68 -4.79 115.26 114.77 3ik9 n ASN 80 Ca 0.50 -0.03 0.09 0.00 -0.03 0.00 0.00 54.58 55.11 3ik9 n ASN 80 Cb 1.23 -2.72 0.34 0.00 -0.61 0.00 0.00 39.78 38.02 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 -3.15 4.57 -1.70 3.41 4.77 0.72 -4.40 117.00 121.22 3ik9 n LEU 81 Ca -0.06 -2.41 -0.16 0.00 -0.03 0.00 0.00 56.01 53.35 3ik9 n LEU 81 Cb 0.56 -0.55 0.16 0.00 -2.33 0.00 0.00 43.42 41.25 3ik9 n LEU 81 CO 0.30 0.82 0.89 0.00 -1.33 0.00 0.00 177.39 178.07 3ik9 n TYR 82 N 1.07 2.07 -0.91 -1.77 4.19 -0.79 -0.44 117.16 120.59 3ik9 n TYR 82 Ca 0.25 -1.96 0.12 0.00 3.31 0.00 0.00 57.90 59.62 3ik9 n TYR 82 Cb 0.84 -0.73 -0.04 0.00 0.49 0.00 0.00 39.34 39.91 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 -1.05 -2.03 0.11 2.98 0.00 -1.26 -4.54 105.19 99.39 3ik9 n GLY 83 Ca 0.45 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.34 0.68 -4.43 1.61 2.85 -1.26 -4.96 118.16 109.31 3ik9 n LYS 84 Ca -0.01 0.07 -0.21 0.00 -1.05 0.00 0.00 58.31 57.11 3ik9 n LYS 84 Cb 0.42 -1.56 -0.10 0.00 -0.65 0.00 0.00 35.03 33.13 3ik9 n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3ik9 s ASP 85 N -5.82 2.13 0.20 -5.58 1.47 -1.26 -5.06 116.67 102.75 3ik9 s ASP 85 Ca -0.15 -1.41 -0.08 0.00 1.18 0.00 0.00 52.55 52.09 3ik9 s ASP 85 Cb 0.07 0.04 0.13 0.00 -0.34 0.00 0.00 42.92 42.82 3ik9 s ASP 85 CO 0.78 -0.68 1.73 -0.29 0.68 0.00 0.00 175.17 177.40 3ik9 h ILE 86 N 2.14 1.26 -0.80 2.11 2.10 -1.95 -0.66 117.51 121.71 3ik9 h ILE 86 Ca -0.40 -0.93 -0.02 0.00 1.08 0.00 0.00 64.86 64.60 3ik9 h ILE 86 Cb 1.25 0.47 -0.04 0.00 -1.09 0.00 0.00 36.82 37.41 3ik9 h ILE 86 CO 0.66 0.36 0.43 0.11 -1.08 0.00 0.00 178.15 178.63 3ik9 h LYS 87 N 1.10 1.12 -0.53 2.19 1.57 -2.00 -0.92 116.57 119.10 3ik9 h LYS 87 Ca 0.24 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 3ik9 h LYS 87 Cb 0.33 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3ik9 h LYS 87 CO -0.00 0.83 -0.03 0.93 -0.57 0.00 0.00 179.45 180.61 3ik9 h GLU 88 N 1.13 0.96 -0.28 3.15 5.08 -1.85 -2.68 114.58 120.09 3ik9 h GLU 88 Ca 0.28 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3ik9 h GLU 88 Cb 0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3ik9 h GLU 88 CO -0.04 0.98 0.09 0.00 -1.00 0.00 0.00 179.01 179.04 3ik9 h ARG 89 N 0.83 0.39 0.11 2.33 3.08 -0.76 -1.38 114.38 118.98 3ik9 h ARG 89 Ca 0.15 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.16 3ik9 h ARG 89 Cb 0.57 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3ik9 h ARG 89 CO 0.03 0.35 -0.16 0.00 -1.07 0.00 0.00 179.97 179.12 3ik9 h ALA 90 N 1.71 -0.27 -0.14 0.04 0.00 -0.84 -0.45 119.26 119.32 3ik9 h ALA 90 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ik9 h ALA 90 Cb 0.11 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ik9 h ALA 90 CO -0.01 -0.68 0.06 -0.07 0.00 0.00 0.00 179.25 178.55 3ik9 h LEU 91 N -0.31 0.18 -0.56 0.00 3.38 -1.26 -1.82 115.31 114.93 3ik9 h LEU 91 Ca 0.02 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.96 3ik9 h LEU 91 Cb 0.32 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 3ik9 h LEU 91 CO -0.08 0.27 0.11 0.40 0.09 0.00 0.00 178.44 179.23 3ik9 h ILE 92 N 0.09 0.67 -0.33 1.22 2.04 -1.12 -1.77 117.51 118.30 3ik9 h ILE 92 Ca 0.05 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 3ik9 h ILE 92 Cb 0.13 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3ik9 h ILE 92 CO -0.01 0.04 -0.06 0.44 0.00 0.00 0.00 178.15 178.57 3ik9 h ASP 93 N 0.24 0.63 -0.76 1.72 3.32 -0.90 -1.84 116.42 118.84 3ik9 h ASP 93 Ca 0.29 -0.35 0.06 0.00 0.02 0.00 0.00 57.03 57.05 3ik9 h ASP 93 Cb 0.41 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 3ik9 h ASP 93 CO -0.38 0.83 0.50 -0.03 -1.72 0.00 0.00 179.24 178.45 3ik9 h MET 94 N 0.42 0.79 0.11 3.56 4.05 -0.86 -1.19 114.93 121.81 3ik9 h MET 94 Ca 0.09 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 3ik9 h MET 94 Cb 0.55 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 3ik9 h MET 94 CO 0.03 0.52 -0.05 1.88 0.23 0.00 0.00 176.91 179.52 3ik9 h TYR 95 N 0.81 -0.14 -0.17 1.39 0.05 -1.16 -3.26 116.97 114.51 3ik9 h TYR 95 Ca 0.33 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.07 3ik9 h TYR 95 Cb 0.24 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 3ik9 h TYR 95 CO -0.00 0.29 -0.05 -0.84 -1.05 0.00 0.00 178.16 176.51 3ik9 h ILE 96 N -0.94 1.14 -0.30 -2.88 3.07 -1.24 -1.89 117.51 114.48 3ik9 h ILE 96 Ca -0.02 -0.59 -0.09 0.00 1.55 0.00 0.00 64.86 65.72 3ik9 h ILE 96 Cb 0.49 1.08 -0.02 0.00 -0.27 0.00 0.00 36.82 38.10 3ik9 h ILE 96 CO 0.03 0.19 -0.19 -0.33 -1.05 0.00 0.00 178.15 176.79 3ik9 h GLU 97 N 0.25 0.54 -0.78 0.16 4.39 -1.33 0.45 114.58 118.25 3ik9 h GLU 97 Ca 0.06 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 3ik9 h GLU 97 Cb 0.26 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 3ik9 h GLU 97 CO 0.01 0.71 0.32 0.78 -1.16 0.00 0.00 179.01 179.67 3ik9 h GLY 98 N 0.98 1.25 0.92 -3.84 0.00 -1.40 0.24 103.07 101.23 3ik9 h GLY 98 Ca 0.08 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 3ik9 h GLY 98 CO 0.04 0.63 -0.02 -2.22 0.00 0.00 0.00 176.54 174.97 3ik9 h ILE 99 N 1.13 1.26 0.00 2.60 2.04 -0.77 -1.96 117.51 121.82 3ik9 h ILE 99 Ca 0.26 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 3ik9 h ILE 99 Cb 0.20 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3ik9 h ILE 99 CO -0.02 0.34 -0.28 0.00 0.00 0.00 0.00 178.15 178.19 3ik9 h ALA 100 N 0.85 1.41 -0.15 1.87 0.00 0.13 0.65 119.26 124.03 3ik9 h ALA 100 Ca 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ik9 h ALA 100 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ik9 h ALA 100 CO 0.02 0.35 0.04 -0.44 0.00 0.00 0.00 179.25 179.22 3ik9 h ASP 101 N 0.00 0.23 -0.42 0.00 3.32 -0.03 0.73 116.42 120.25 3ik9 h ASP 101 Ca -0.00 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.73 3ik9 h ASP 101 Cb 0.53 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3ik9 h ASP 101 CO 0.04 0.39 -0.10 0.25 -1.72 0.00 0.00 179.24 178.10 3ik9 h LEU 102 N 0.06 0.87 -0.92 1.55 5.85 -0.99 -3.11 115.31 118.62 3ik9 h LEU 102 Ca 0.05 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3ik9 h LEU 102 Cb 0.24 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3ik9 h LEU 102 CO -0.00 0.98 0.43 1.23 -0.34 0.00 0.00 178.44 180.75 3ik9 h GLY 103 N 0.97 1.29 0.99 3.75 0.00 0.51 -2.31 103.07 108.26 3ik9 h GLY 103 Ca 0.13 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3ik9 h GLY 103 CO 0.04 0.58 0.29 -2.09 0.00 0.00 0.00 176.54 175.36 3ik9 h GLU 104 N 1.20 0.80 -0.57 4.80 4.57 -0.79 -1.84 114.58 122.75 3ik9 h GLU 104 Ca 0.30 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 58.42 3ik9 h GLU 104 Cb 0.08 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 3ik9 h GLU 104 CO -0.04 0.64 0.30 0.52 -1.18 0.00 0.00 179.01 179.24 3ik9 h MET 105 N 0.76 0.56 0.30 1.92 2.86 -1.38 -1.65 114.93 118.29 3ik9 h MET 105 Ca 0.20 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3ik9 h MET 105 Cb 0.08 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3ik9 h MET 105 CO -0.03 0.37 -0.15 0.82 1.06 0.00 0.00 176.91 178.98 3ik9 h ILE 106 N 0.57 0.73 -1.06 -1.22 2.04 -1.29 -0.15 117.51 117.13 3ik9 h ILE 106 Ca 0.25 -0.39 0.28 0.00 1.00 0.00 0.00 64.86 66.00 3ik9 h ILE 106 Cb 0.16 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 3ik9 h ILE 106 CO -0.17 0.08 0.69 0.40 0.00 0.00 0.00 178.15 179.15 3ik9 h ILE 107 N -0.62 0.50 0.00 -0.67 2.04 -1.21 -2.14 117.51 115.41 3ik9 h ILE 107 Ca -0.04 -0.12 -0.16 0.00 1.00 0.00 0.00 64.86 65.54 3ik9 h ILE 107 Cb 0.44 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3ik9 h ILE 107 CO 0.07 0.06 -1.33 0.24 0.00 0.00 0.00 178.15 177.19 3ik9 h MET 108 N 0.34 0.00 -0.94 2.37 2.86 -1.13 -3.39 114.93 115.03 3ik9 h MET 108 Ca 0.60 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 58.44 3ik9 h MET 108 Cb 1.62 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 33.17 3ik9 h MET 108 CO -0.27 0.30 0.52 1.25 1.06 0.00 0.00 176.91 179.77 3ik9 h LEU 109 N 0.00 0.59 0.00 1.22 5.85 -0.31 0.51 115.31 123.17 3ik9 h LEU 109 Ca -0.15 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3ik9 h LEU 109 Cb 1.56 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.62 3ik9 h LEU 109 CO 0.05 0.16 0.00 -0.81 -0.34 0.00 0.00 178.44 177.49 3ik9 n PRO 110 N -4.89 0.33 -0.11 5.25 -0.04 -1.26 -2.99 135.00 131.29 3ik9 n PRO 110 Ca 0.22 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 3ik9 n PRO 110 Cb 0.60 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.24 0.30 -1.97 0.54 3.01 0.17 -4.98 117.46 113.28 3ik9 n PHE 111 Ca 0.10 -0.23 -0.31 0.00 1.01 0.00 0.00 57.45 58.02 3ik9 n PHE 111 Cb 0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 3ik9 n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ik9 n PRO 113 N -2.48 1.87 0.15 0.00 -0.02 -1.26 -4.86 135.00 128.40 3ik9 n PRO 113 Ca 0.06 0.66 0.19 0.00 -2.02 0.00 0.00 63.50 62.39 3ik9 n PRO 113 Cb 0.54 -2.21 0.78 0.00 -0.02 0.00 0.00 33.50 32.58 3ik9 n PRO 113 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ik9 h PRO 114 N 3.01 0.00 0.00 0.52 0.11 -1.96 0.27 132.00 133.95 3ik9 h PRO 114 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ik9 h PRO 114 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ik9 h PRO 114 CO 0.67 0.00 -0.01 1.49 -0.21 0.00 0.00 178.00 179.93 3ik9 h GLU 115 N 0.00 0.00 0.00 1.05 4.22 -2.04 -3.21 114.58 114.61 3ik9 h GLU 115 Ca 0.15 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.33 3ik9 h GLU 115 Cb 0.85 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 3ik9 h GLU 115 CO -0.00 0.01 -2.22 0.39 -2.18 0.00 0.00 179.01 175.01 3ik9 n GLU 116 N -3.11 0.68 -0.23 1.92 1.02 0.06 -4.61 120.64 116.37 3ik9 n GLU 116 Ca 0.01 -0.04 0.03 0.00 -0.02 0.00 0.00 57.16 57.14 3ik9 n GLU 116 Cb 0.32 -1.54 0.15 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.33 -0.53 3.49 1.57 -1.48 -0.90 116.57 119.04 3ik9 h LYS 117 Ca -0.37 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.45 3ik9 h LYS 117 Cb 1.87 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 34.01 3ik9 h LYS 117 CO 0.02 0.22 -0.53 -0.44 -0.57 0.00 0.00 179.45 178.15 3ik9 h ASP 118 N 0.34 -1.82 -0.32 0.86 5.19 -1.82 0.20 116.42 119.05 3ik9 h ASP 118 Ca 0.37 0.26 -0.13 0.00 -0.62 0.00 0.00 57.03 56.91 3ik9 h ASP 118 Cb 0.57 0.77 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 3ik9 h ASP 118 CO -0.42 -0.36 -0.29 0.00 -3.12 0.00 0.00 179.24 175.05 3ik9 h ALA 119 N 0.19 0.76 -0.03 3.45 0.00 -1.63 -2.91 119.26 119.09 3ik9 h ALA 119 Ca 0.11 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ik9 h ALA 119 Cb 0.56 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ik9 h ALA 119 CO -0.67 0.66 0.01 -0.22 0.00 0.00 0.00 179.25 179.03 3ik9 h LYS 120 N 0.71 0.04 -0.55 0.00 3.64 -0.63 -1.98 116.57 117.79 3ik9 h LYS 120 Ca 0.08 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 3ik9 h LYS 120 Cb 0.84 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.56 3ik9 h LYS 120 CO 0.07 0.11 -0.01 1.25 -2.27 0.00 0.00 179.45 178.60 3ik9 h LEU 121 N -0.05 -0.26 -0.78 5.20 5.85 -0.59 0.89 115.31 125.57 3ik9 h LEU 121 Ca 0.01 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3ik9 h LEU 121 Cb 0.08 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3ik9 h LEU 121 CO -0.00 -0.10 0.52 0.00 -0.34 0.00 0.00 178.44 178.52 3ik9 h ALA 122 N 1.50 1.00 -0.37 1.25 0.00 -1.33 -1.35 119.26 119.96 3ik9 h ALA 122 Ca 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3ik9 h ALA 122 Cb 0.44 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ik9 h ALA 122 CO -0.48 0.39 0.11 1.25 0.00 0.00 0.00 179.25 180.52 3ik9 h LEU 123 N 1.04 0.55 -0.93 0.00 5.85 -0.42 0.80 115.31 122.20 3ik9 h LEU 123 Ca 0.29 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.89 3ik9 h LEU 123 Cb -0.10 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 3ik9 h LEU 123 CO -0.07 0.62 0.58 0.40 -0.34 0.00 0.00 178.44 179.62 3ik9 h ILE 124 N 0.46 0.99 -0.07 4.05 2.04 -0.57 -2.47 117.51 121.94 3ik9 h ILE 124 Ca 0.12 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3ik9 h ILE 124 Cb 0.27 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3ik9 h ILE 124 CO -0.00 0.18 -0.03 0.11 0.00 0.00 0.00 178.15 178.41 3ik9 h LYS 125 N 0.99 0.14 -0.72 2.37 1.57 -0.67 -2.49 116.57 117.76 3ik9 h LYS 125 Ca 0.43 -0.06 0.16 0.00 -1.87 0.00 0.00 60.65 59.31 3ik9 h LYS 125 Cb 0.31 -0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.49 3ik9 h LYS 125 CO -0.22 0.50 0.05 1.49 -0.57 0.00 0.00 179.45 180.71 3ik9 h GLU 126 N -0.23 0.15 -0.01 3.15 4.22 -0.58 -2.23 114.58 119.04 3ik9 h GLU 126 Ca 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 3ik9 h GLU 126 Cb 0.46 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3ik9 h GLU 126 CO 0.01 0.10 -0.02 0.87 -2.18 0.00 0.00 179.01 177.79 3ik9 h LYS 127 N 0.15 0.04 -0.49 1.92 1.57 -1.42 -0.73 116.57 117.61 3ik9 h LYS 127 Ca 0.39 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.24 3ik9 h LYS 127 Cb 0.68 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.89 3ik9 h LYS 127 CO -0.59 0.56 -0.40 0.82 -0.57 0.00 0.00 179.45 179.27 3ik9 h ILE 128 N -0.48 0.13 -0.51 1.86 2.04 -1.24 0.54 117.51 119.85 3ik9 h ILE 128 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 3ik9 h ILE 128 Cb 0.55 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3ik9 h ILE 128 CO 0.00 0.00 -0.03 0.50 0.00 0.00 0.00 178.15 178.62 3ik9 h LYS 129 N -0.25 0.93 -0.16 2.37 3.64 -1.37 -1.00 116.57 120.73 3ik9 h LYS 129 Ca 0.17 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3ik9 h LYS 129 Cb 0.57 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3ik9 h LYS 129 CO -0.62 0.97 0.00 0.09 -2.27 0.00 0.00 179.45 177.62 3ik9 n ASN 130 N -4.26 2.62 0.09 4.20 3.02 -0.28 -4.33 115.26 116.31 3ik9 n ASN 130 Ca 0.01 -1.76 0.00 0.00 -0.03 0.00 0.00 54.58 52.80 3ik9 n ASN 130 Cb 0.35 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.92 0.00 0.07 3.52 0.63 0.18 -4.88 116.66 117.11 3ik9 n ARG 131 Ca 0.11 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.95 3ik9 n ARG 131 Cb 0.43 -0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.27 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 0.00 -0.26 -0.26 -0.14 0.05 -1.36 -1.95 116.97 113.05 3ik9 h TYR 132 Ca 0.00 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.81 3ik9 h TYR 132 Cb 0.00 0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 3ik9 h TYR 132 CO 0.00 0.10 0.05 0.74 -1.05 0.00 0.00 178.16 178.01 3ik9 h PHE 133 N -0.94 0.09 -0.32 4.88 -1.00 -1.42 -0.85 116.94 117.39 3ik9 h PHE 133 Ca -0.03 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.84 3ik9 h PHE 133 Cb 0.47 -0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.96 3ik9 h PHE 133 CO 0.06 0.03 -0.13 -1.35 -1.61 0.00 0.00 178.31 175.31 3ik9 h PRO 134 N 0.16 -0.07 -0.67 1.51 0.11 -1.75 0.49 132.00 131.78 3ik9 h PRO 134 Ca 0.12 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.27 3ik9 h PRO 134 Cb 0.12 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.20 3ik9 h PRO 134 CO -0.15 -0.05 0.41 0.00 -0.21 0.00 0.00 178.00 178.00 3ik9 h ALA 135 N 1.20 0.88 0.01 -0.75 0.00 -0.91 -1.40 119.26 118.29 3ik9 h ALA 135 Ca 0.16 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3ik9 h ALA 135 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3ik9 h ALA 135 CO -0.37 0.16 -0.91 0.74 0.00 0.00 0.00 179.25 178.87 3ik9 h PHE 136 N 0.80 0.34 -0.58 0.00 0.04 -0.96 -2.81 116.94 113.77 3ik9 h PHE 136 Ca 0.28 -0.19 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 3ik9 h PHE 136 Cb 0.05 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 3ik9 h PHE 136 CO -0.05 1.02 0.13 1.49 -0.60 0.00 0.00 178.31 180.30 3ik9 h GLU 137 N 0.12 0.91 -0.63 1.51 4.57 -0.63 -2.30 114.58 118.13 3ik9 h GLU 137 Ca -0.05 -0.20 -0.07 0.00 -1.18 0.00 0.00 59.36 57.86 3ik9 h GLU 137 Cb 1.55 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.98 3ik9 h GLU 137 CO 0.14 0.82 0.12 -0.22 -1.18 0.00 0.00 179.01 178.70 3ik9 h LYS 138 N 0.87 1.03 0.23 1.92 3.64 -1.24 0.24 116.57 123.26 3ik9 h LYS 138 Ca 0.19 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3ik9 h LYS 138 Cb 0.33 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3ik9 h LYS 138 CO 0.00 0.95 -0.20 0.28 -2.27 0.00 0.00 179.45 178.21 3ik9 h VAL 139 N 0.94 0.56 -0.62 2.00 2.07 -1.28 0.40 116.25 120.32 3ik9 h VAL 139 Ca 0.19 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.75 3ik9 h VAL 139 Cb 0.40 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3ik9 h VAL 139 CO 0.01 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.91 3ik9 h LEU 140 N -0.45 0.61 -0.91 2.57 3.38 -1.37 -3.00 115.31 116.15 3ik9 h LEU 140 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3ik9 h LEU 140 Cb 0.41 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3ik9 h LEU 140 CO -0.03 0.42 0.46 0.50 0.09 0.00 0.00 178.44 179.88 3ik9 h LYS 141 N 0.74 1.24 0.23 1.13 3.64 -0.10 -0.13 116.57 123.31 3ik9 h LYS 141 Ca 0.25 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3ik9 h LYS 141 Cb 0.04 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3ik9 h LYS 141 CO -0.11 0.92 -0.11 0.66 -2.27 0.00 0.00 179.45 178.54 3ik9 h SER 142 N 1.24 -0.26 0.77 4.20 4.64 -0.07 -3.30 113.55 120.77 3ik9 h SER 142 Ca 0.31 -0.18 -0.23 0.00 -0.47 0.00 0.00 61.79 61.21 3ik9 h SER 142 Cb 0.06 0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 3ik9 h SER 142 CO -0.05 0.05 -1.33 1.12 -0.87 0.00 0.00 176.83 175.75 3ik9 h HIS 143 N -0.58 0.00 0.00 4.77 2.07 -1.61 -3.48 115.15 116.31 3ik9 h HIS 143 Ca -0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 3ik9 h HIS 143 Cb 0.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.41 3ik9 h HIS 143 CO 0.01 0.89 0.00 0.41 -3.07 0.00 0.00 177.93 176.17 3ik9 n GLY 144 N 1.44 0.84 3.90 6.13 0.00 -0.06 -5.04 105.19 112.40 3ik9 n GLY 144 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.11 2.22 0.00 1.61 -0.21 -1.26 -4.98 119.66 116.94 3ik9 s GLN 145 Ca 0.00 0.11 0.28 0.00 0.02 0.00 0.00 55.36 55.77 3ik9 s GLN 145 Cb 0.00 -2.02 1.09 0.00 1.00 0.00 0.00 33.01 33.08 3ik9 s GLN 145 CO 0.00 -1.38 1.83 -0.25 -2.12 0.00 0.00 175.29 173.36 3ik9 n ASP 146 N -3.16 0.10 -4.28 5.90 9.92 -1.26 -4.85 116.55 118.93 3ik9 n ASP 146 Ca 0.08 0.35 -0.16 0.00 -0.53 0.00 0.00 54.79 54.53 3ik9 n ASP 146 Cb 0.60 -0.35 -0.10 0.00 -0.64 0.00 0.00 41.12 40.63 3ik9 n ASP 146 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3ik9 s TYR 147 N -3.00 1.41 0.09 1.24 2.02 -1.26 -4.91 117.35 112.94 3ik9 s TYR 147 Ca 0.13 -0.72 -0.19 0.00 -0.37 0.00 0.00 57.07 55.92 3ik9 s TYR 147 Cb 0.19 -0.70 -0.08 0.00 -0.40 0.00 0.00 41.96 40.96 3ik9 s TYR 147 CO 0.56 0.15 1.58 -0.07 -1.57 0.00 0.00 175.55 176.20 3ik9 h LEU 148 N 2.70 0.35 -8.08 -1.29 3.38 -1.88 -3.42 115.31 107.07 3ik9 h LEU 148 Ca -0.37 -0.23 -0.58 0.00 0.09 0.00 0.00 57.88 56.79 3ik9 h LEU 148 Cb 1.20 -0.09 -0.34 0.00 0.09 0.00 0.00 40.66 41.52 3ik9 h LEU 148 CO 0.63 0.49 -0.84 -0.69 0.09 0.00 0.00 178.44 178.13 3ik9 s VAL 149 N -5.28 1.47 -1.72 1.22 1.01 -1.26 -4.85 120.40 110.99 3ik9 s VAL 149 Ca -0.14 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3ik9 s VAL 149 Cb 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 35.13 3ik9 s VAL 149 CO 0.73 0.43 0.03 0.61 0.00 0.00 0.00 175.10 176.90 3ik9 n GLY 150 N 3.86 -0.47 2.88 4.51 0.00 -1.26 -3.45 105.19 111.26 3ik9 n GLY 150 Ca -0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.89 -5.56 -4.16 1.61 5.15 -1.26 -4.94 115.26 104.21 3ik9 n ASN 151 Ca -0.23 0.07 -0.10 0.00 -0.60 0.00 0.00 54.58 53.71 3ik9 n ASN 151 Cb 0.68 -3.49 -0.10 0.00 -0.53 0.00 0.00 39.78 36.34 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 -2.12 0.81 0.25 1.20 -2.85 -1.22 -4.81 119.74 110.99 3ik9 s LYS 152 Ca 0.00 -1.33 -0.31 0.00 -1.00 0.00 0.00 55.97 53.34 3ik9 s LYS 152 Cb 0.00 -0.14 -0.14 0.00 -2.06 0.00 0.00 37.83 35.49 3ik9 s LYS 152 CO 0.00 -0.04 1.27 -0.11 0.10 0.00 0.00 175.35 176.57 3ik9 n LEU 153 N -0.03 2.57 -4.05 2.77 7.94 -1.26 -4.65 117.00 120.29 3ik9 n LEU 153 Ca -0.12 1.16 -0.10 0.00 -1.11 0.00 0.00 56.01 55.84 3ik9 n LEU 153 Cb 0.61 -1.36 -0.08 0.00 0.53 0.00 0.00 43.42 43.12 3ik9 n LEU 153 CO 0.30 -0.83 -0.07 -0.94 -1.11 0.00 0.00 177.39 174.74 3ik9 s SER 154 N -0.00 0.08 0.47 1.96 1.04 -1.26 -4.82 113.70 111.17 3ik9 s SER 154 Ca 0.66 -1.05 0.26 0.00 0.48 0.00 0.00 55.95 56.29 3ik9 s SER 154 Cb -0.69 0.43 1.30 0.00 0.10 0.00 0.00 66.02 67.16 3ik9 s SER 154 CO 0.54 -0.91 1.81 0.08 0.98 0.00 0.00 173.24 175.74 3ik9 h ARG 155 N 2.55 0.20 -0.64 4.02 0.11 -1.13 -1.85 114.38 117.65 3ik9 h ARG 155 Ca -0.32 -0.01 0.06 0.00 0.10 0.00 0.00 59.98 59.81 3ik9 h ARG 155 Cb 1.23 -0.05 -0.05 0.00 1.11 0.00 0.00 29.97 32.21 3ik9 h ARG 155 CO 0.48 0.14 0.34 0.00 0.10 0.00 0.00 179.97 181.03 3ik9 h ALA 156 N 1.55 0.85 -0.15 0.08 0.00 -1.89 -0.62 119.26 119.07 3ik9 h ALA 156 Ca 0.54 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 3ik9 h ALA 156 Cb 1.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3ik9 h ALA 156 CO -0.15 0.01 0.08 -0.44 0.00 0.00 0.00 179.25 178.75 3ik9 h ASP 157 N 0.64 0.20 -0.23 0.00 3.32 -1.75 -1.75 116.42 116.85 3ik9 h ASP 157 Ca 0.29 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3ik9 h ASP 157 Cb 0.19 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3ik9 h ASP 157 CO -0.18 0.25 0.10 0.40 -1.72 0.00 0.00 179.24 178.09 3ik9 h ILE 158 N 0.13 1.15 -0.71 0.35 1.08 -1.42 0.72 117.51 118.80 3ik9 h ILE 158 Ca 0.05 -0.42 -0.05 0.00 -0.39 0.00 0.00 64.86 64.05 3ik9 h ILE 158 Cb 0.11 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 3ik9 h ILE 158 CO -0.01 0.14 0.25 0.45 -0.69 0.00 0.00 178.15 178.30 3ik9 h HIS 159 N 0.23 1.12 -0.03 1.37 3.86 -1.12 -0.37 115.15 120.20 3ik9 h HIS 159 Ca 0.08 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3ik9 h HIS 159 Cb 0.13 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 3ik9 h HIS 159 CO -0.02 0.88 -0.00 1.25 0.86 0.00 0.00 177.93 180.89 3ik9 h LEU 160 N 1.04 0.06 -0.31 2.43 5.85 -1.17 -2.45 115.31 120.76 3ik9 h LEU 160 Ca 0.23 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3ik9 h LEU 160 Cb 0.26 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3ik9 h LEU 160 CO -0.01 0.39 0.20 0.58 -0.34 0.00 0.00 178.44 179.26 3ik9 h VAL 161 N -0.27 1.06 -0.75 1.05 2.07 -0.69 0.57 116.25 119.30 3ik9 h VAL 161 Ca 0.01 -0.14 0.16 0.00 0.82 0.00 0.00 66.70 67.55 3ik9 h VAL 161 Cb 0.36 0.62 -0.11 0.00 -1.52 0.00 0.00 31.29 30.64 3ik9 h VAL 161 CO 0.00 0.07 0.21 -0.08 0.02 0.00 0.00 177.57 177.79 3ik9 h GLU 162 N 0.41 0.29 -0.58 1.57 4.81 -1.10 0.32 114.58 120.30 3ik9 h GLU 162 Ca 0.12 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3ik9 h GLU 162 Cb -0.03 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3ik9 h GLU 162 CO -0.04 0.19 0.34 1.25 -0.73 0.00 0.00 179.01 180.02 3ik9 h LEU 163 N 0.30 0.70 -0.56 1.64 5.85 -0.58 -1.94 115.31 120.71 3ik9 h LEU 163 Ca 0.43 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.18 3ik9 h LEU 163 Cb 0.73 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 3ik9 h LEU 163 CO -0.50 0.56 0.12 -0.07 -0.34 0.00 0.00 178.44 178.21 3ik9 h LEU 164 N 0.78 0.01 -0.84 2.25 3.38 0.11 0.59 115.31 121.59 3ik9 h LEU 164 Ca 0.21 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3ik9 h LEU 164 Cb -0.01 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ik9 h LEU 164 CO -0.04 0.02 0.00 -1.22 0.09 0.00 0.00 178.44 177.29 3ik9 n TYR 165 N -5.12 0.70 0.00 1.13 4.01 -0.54 -0.59 117.16 116.75 3ik9 n TYR 165 Ca 0.08 0.30 -0.07 0.00 -0.16 0.00 0.00 57.90 58.05 3ik9 n TYR 165 Cb 0.29 -0.99 -0.13 0.00 -0.31 0.00 0.00 39.34 38.20 3ik9 n TYR 165 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3ik9 h TYR 166 N 0.00 0.00 -0.20 -0.72 0.05 0.35 -3.30 116.97 113.15 3ik9 h TYR 166 Ca 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.60 3ik9 h TYR 166 Cb 0.24 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 3ik9 h TYR 166 CO 0.00 0.95 -0.61 0.28 -1.05 0.00 0.00 178.16 177.73 3ik9 h VAL 167 N 0.00 1.31 -0.40 -2.88 2.07 0.11 -2.58 116.25 113.87 3ik9 h VAL 167 Ca -0.22 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 3ik9 h VAL 167 Cb 1.92 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.47 3ik9 h VAL 167 CO 0.08 0.58 0.19 -0.08 0.02 0.00 0.00 177.57 178.37 3ik9 h GLU 168 N 0.51 0.58 -0.92 1.57 4.81 -1.03 -0.63 114.58 119.46 3ik9 h GLU 168 Ca -0.00 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3ik9 h GLU 168 Cb 1.19 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 3ik9 h GLU 168 CO 0.12 0.50 0.59 0.93 -0.73 0.00 0.00 179.01 180.43 3ik9 h GLU 169 N 0.51 1.09 0.15 1.92 5.08 -1.62 -2.91 114.58 118.79 3ik9 h GLU 169 Ca 0.14 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3ik9 h GLU 169 Cb 0.12 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3ik9 h GLU 169 CO -0.02 0.72 -0.07 1.25 -1.00 0.00 0.00 179.01 179.89 3ik9 h LEU 170 N 1.12 -0.16 -6.28 1.33 6.46 -1.16 -3.44 115.31 113.17 3ik9 h LEU 170 Ca 0.38 -0.38 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 3ik9 h LEU 170 Cb 0.06 0.04 -0.22 0.00 -0.73 0.00 0.00 40.66 39.81 3ik9 h LEU 170 CO -0.14 0.38 -0.28 -0.62 -0.62 0.00 0.00 178.44 177.16 3ik9 s ASP 171 N -5.50 -1.06 0.00 1.25 2.15 -0.27 -5.05 116.67 108.19 3ik9 s ASP 171 Ca -0.13 0.91 0.24 0.00 0.43 0.00 0.00 52.55 53.99 3ik9 s ASP 171 Cb 0.01 2.00 1.14 0.00 -0.30 0.00 0.00 42.92 45.77 3ik9 s ASP 171 CO 0.51 -0.26 1.79 -1.54 -0.17 0.00 0.00 175.17 175.50 3ik9 n SER 172 N 5.42 0.00 -0.04 -0.34 3.41 -1.10 -2.96 113.62 118.01 3ik9 n SER 172 Ca -0.04 0.14 0.14 0.00 -0.26 0.00 0.00 58.87 58.85 3ik9 n SER 172 Cb 0.50 -0.36 0.61 0.00 -0.26 0.00 0.00 64.21 64.70 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 -1.36 0.24 0.08 4.04 3.41 -1.26 -4.13 113.62 114.63 3ik9 n SER 173 Ca 0.09 -0.15 -0.20 0.00 -0.26 0.00 0.00 58.87 58.35 3ik9 n SER 173 Cb 0.22 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.21 0.80 0.00 1.04 3.38 -1.88 -3.10 115.31 115.76 3ik9 h LEU 174 Ca 0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3ik9 h LEU 174 Cb 0.39 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ik9 h LEU 174 CO 0.00 1.52 0.00 0.00 0.09 0.00 0.00 178.44 180.05 3ik9 n ILE 175 N -3.77 1.11 -0.30 1.22 3.06 -1.26 -4.16 119.36 115.26 3ik9 n ILE 175 Ca -0.12 0.28 0.12 0.00 -2.50 0.00 0.00 62.75 60.53 3ik9 n ILE 175 Cb 0.95 -1.06 0.36 0.00 0.54 0.00 0.00 39.64 40.43 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 0.70 -1.00 9.51 4.64 -1.76 -2.01 113.55 123.63 3ik9 h SER 176 Ca 0.00 0.05 -0.57 0.00 -0.47 0.00 0.00 61.79 60.80 3ik9 h SER 176 Cb 0.22 -0.09 -0.30 0.00 -0.31 0.00 0.00 62.40 61.92 3ik9 h SER 176 CO 0.00 0.34 0.73 -1.20 -0.87 0.00 0.00 176.83 175.83 3ik9 n SER 177 N -4.60 5.06 -3.16 4.97 7.64 -1.26 -4.67 113.62 117.61 3ik9 n SER 177 Ca 0.19 -3.67 -0.22 0.00 1.01 0.00 0.00 58.87 56.18 3ik9 n SER 177 Cb 0.48 -0.89 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 3ik9 n SER 177 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ik9 n PHE 178 N -1.07 -0.99 0.02 1.43 3.72 -0.76 -5.01 117.46 114.80 3ik9 n PHE 178 Ca 0.61 -3.20 0.02 0.00 -0.05 0.00 0.00 57.45 54.83 3ik9 n PHE 178 Cb 1.34 0.08 0.36 0.00 -0.94 0.00 0.00 39.48 40.32 3ik9 n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ik9 h PRO 179 N 4.36 0.48 0.00 -1.08 0.13 -1.83 -1.07 132.00 132.99 3ik9 h PRO 179 Ca 0.08 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 65.05 3ik9 h PRO 179 Cb 0.91 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3ik9 h PRO 179 CO 0.41 0.45 -0.44 -0.07 -0.23 0.00 0.00 178.00 178.12 3ik9 h LEU 180 N 0.48 0.00 -0.14 1.56 3.38 -1.95 0.16 115.31 118.80 3ik9 h LEU 180 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3ik9 h LEU 180 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ik9 h LEU 180 CO -0.00 0.44 -0.26 -0.07 0.09 0.00 0.00 178.44 178.64 3ik9 h LEU 181 N 0.00 0.47 -0.18 1.67 3.38 -1.62 -0.85 115.31 118.18 3ik9 h LEU 181 Ca -0.00 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.45 3ik9 h LEU 181 Cb 0.80 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3ik9 h LEU 181 CO 0.06 0.93 -0.03 0.11 0.09 0.00 0.00 178.44 179.60 3ik9 h LYS 182 N 0.03 0.02 -0.06 1.13 1.57 -0.97 0.23 116.57 118.53 3ik9 h LYS 182 Ca 0.01 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3ik9 h LYS 182 Cb 0.85 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 3ik9 h LYS 182 CO 0.06 0.01 -0.07 0.00 -0.57 0.00 0.00 179.45 178.88 3ik9 h ALA 183 N 1.17 -0.02 -0.62 3.86 0.00 -0.70 -1.68 119.26 121.27 3ik9 h ALA 183 Ca 0.09 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3ik9 h ALA 183 Cb 0.13 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3ik9 h ALA 183 CO -0.17 -0.54 0.21 1.25 0.00 0.00 0.00 179.25 179.99 3ik9 h LEU 184 N -0.09 0.17 -0.73 0.00 5.85 -0.89 -1.15 115.31 118.46 3ik9 h LEU 184 Ca 0.05 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3ik9 h LEU 184 Cb 0.16 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3ik9 h LEU 184 CO -0.12 0.10 0.42 0.50 -0.34 0.00 0.00 178.44 179.00 3ik9 h LYS 185 N 0.37 0.75 -0.00 1.25 3.64 0.32 -1.93 116.57 120.97 3ik9 h LYS 185 Ca 0.32 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3ik9 h LYS 185 Cb 0.43 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3ik9 h LYS 185 CO -0.34 0.50 -0.01 1.15 -2.27 0.00 0.00 179.45 178.48 3ik9 h THR 186 N 0.77 1.47 -0.83 1.00 2.02 -0.92 -2.18 112.91 114.24 3ik9 h THR 186 Ca 0.33 -1.39 0.11 0.00 0.77 0.00 0.00 66.41 66.22 3ik9 h THR 186 Cb 0.20 2.41 -0.13 0.00 -1.74 0.00 0.00 68.15 68.89 3ik9 h THR 186 CO -0.19 0.36 -0.47 0.03 0.37 0.00 0.00 175.52 175.63 3ik9 h ARG 187 N -0.58 -0.09 -0.23 6.66 3.08 -1.07 -0.80 114.38 121.35 3ik9 h ARG 187 Ca -0.00 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 3ik9 h ARG 187 Cb 0.60 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 3ik9 h ARG 187 CO 0.00 -0.06 -0.40 0.82 -1.07 0.00 0.00 179.97 179.26 3ik9 h ILE 188 N -0.09 1.31 -0.08 2.04 1.08 -1.44 -2.59 117.51 117.74 3ik9 h ILE 188 Ca 0.23 -1.61 0.02 0.00 -0.39 0.00 0.00 64.86 63.11 3ik9 h ILE 188 Cb 0.53 1.76 -0.00 0.00 -3.07 0.00 0.00 36.82 36.05 3ik9 h ILE 188 CO -0.86 0.51 0.15 0.28 -0.69 0.00 0.00 178.15 177.54 3ik9 h SER 189 N 0.40 0.00 0.02 1.72 0.02 -0.89 -1.41 113.55 113.41 3ik9 h SER 189 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3ik9 h SER 189 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3ik9 h SER 189 CO 0.09 0.00 -0.07 0.59 -1.14 0.00 0.00 176.83 176.30 3ik9 n ASN 190 N -3.44 1.81 -4.71 3.07 4.13 -0.35 -2.78 115.26 113.00 3ik9 n ASN 190 Ca -0.01 -1.52 -0.42 0.00 1.68 0.00 0.00 54.58 54.31 3ik9 n ASN 190 Cb 0.23 0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.50 3ik9 n ASN 190 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ik9 s LEU 191 N -2.11 4.36 0.30 3.41 1.43 -0.53 -4.82 118.68 120.71 3ik9 s LEU 191 Ca 0.32 2.14 0.04 0.00 -1.03 0.00 0.00 54.13 55.59 3ik9 s LEU 191 Cb 0.20 -3.58 0.77 0.00 0.03 0.00 0.00 46.19 43.62 3ik9 s LEU 191 CO 0.37 -0.59 1.47 -2.65 0.23 0.00 0.00 176.35 175.18 3ik9 n PRO 192 N 4.27 -0.07 -0.14 1.29 -0.02 -1.26 -0.76 135.00 138.30 3ik9 n PRO 192 Ca 0.11 1.39 -0.10 0.00 -2.02 0.00 0.00 63.50 62.88 3ik9 n PRO 192 Cb 0.44 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 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 1.26 -0.01 3.45 1.35 -1.88 -2.32 112.91 114.76 3ik9 h THR 193 Ca 0.59 -1.04 -0.19 0.00 -0.55 0.00 0.00 66.41 65.22 3ik9 h THR 193 Cb 1.27 1.10 0.01 0.00 -1.73 0.00 0.00 68.15 68.81 3ik9 h THR 193 CO -0.86 0.35 -0.74 0.58 -0.25 0.00 0.00 175.52 174.60 3ik9 h VAL 194 N 0.58 1.38 -0.46 6.82 2.07 -1.19 -1.70 116.25 123.74 3ik9 h VAL 194 Ca 0.12 -2.12 0.09 0.00 0.82 0.00 0.00 66.70 65.62 3ik9 h VAL 194 Cb 0.50 2.50 -0.09 0.00 -1.52 0.00 0.00 31.29 32.67 3ik9 h VAL 194 CO 0.02 0.63 -0.17 0.50 0.02 0.00 0.00 177.57 178.58 3ik9 h LYS 195 N 0.07 -0.06 -0.81 1.57 3.64 -0.83 0.25 116.57 120.41 3ik9 h LYS 195 Ca -0.09 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3ik9 h LYS 195 Cb 1.43 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.22 3ik9 h LYS 195 CO 0.15 -0.04 0.53 -0.22 -2.27 0.00 0.00 179.45 177.59 3ik9 h LYS 196 N -0.06 1.07 -0.37 1.90 3.64 -1.34 -2.30 116.57 119.10 3ik9 h LYS 196 Ca 0.22 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 3ik9 h LYS 196 Cb 0.41 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3ik9 h LYS 196 CO -0.51 0.71 -0.36 0.35 -2.27 0.00 0.00 179.45 177.37 3ik9 h PHE 197 N 1.10 1.08 0.00 1.91 3.57 -0.23 -2.88 116.94 121.50 3ik9 h PHE 197 Ca 0.29 -0.32 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3ik9 h PHE 197 Cb -0.11 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.40 3ik9 h PHE 197 CO 0.00 1.14 -0.06 -0.07 -2.23 0.00 0.00 178.31 177.09 3ik9 h LEU 198 N 0.71 0.00-10.44 0.59 3.38 -0.26 -3.43 115.31 105.86 3ik9 h LEU 198 Ca 0.06 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.53 3ik9 h LEU 198 Cb 0.96 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.79 3ik9 h LEU 198 CO 0.09 0.06 0.40 -1.10 0.09 0.00 0.00 178.44 177.98 3ik9 s GLN 199 N -3.96 2.85 1.02 1.13 -0.21 -0.89 -5.03 119.66 114.57 3ik9 s GLN 199 Ca -0.02 0.57 -0.12 0.00 0.02 0.00 0.00 55.36 55.81 3ik9 s GLN 199 Cb 0.11 -2.01 0.20 0.00 1.00 0.00 0.00 33.01 32.32 3ik9 s GLN 199 CO 0.53 -1.07 1.08 -2.14 -2.12 0.00 0.00 175.29 171.57 3ik9 s PRO 200 N -5.28 0.19 0.00 2.91 0.02 -1.26 -3.53 135.00 128.06 3ik9 s PRO 200 Ca 0.58 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.59 3ik9 s PRO 200 Cb -0.12 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.73 3ik9 s PRO 200 CO 0.53 -3.02 0.00 0.41 -0.33 0.00 0.00 177.00 174.59 3ik9 n GLY 201 N 0.03 2.89 3.58 0.52 0.00 -1.26 -5.02 105.19 105.93 3ik9 n GLY 201 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.67 1.76 0.22 1.61 1.04 -1.23 -4.91 113.70 111.51 3ik9 s SER 202 Ca 0.00 1.36 0.21 0.00 0.48 0.00 0.00 55.95 58.00 3ik9 s SER 202 Cb 0.00 -2.09 0.92 0.00 0.10 0.00 0.00 66.02 64.95 3ik9 s SER 202 CO 0.00 -3.69 1.65 -2.65 0.98 0.00 0.00 173.24 169.52 3ik9 n PRO 203 N -4.57 0.15 -1.41 4.02 -0.02 -1.26 -4.86 135.00 127.05 3ik9 n PRO 203 Ca 0.04 0.43 -0.40 0.00 -2.02 0.00 0.00 63.50 61.55 3ik9 n PRO 203 Cb 0.56 -1.81 0.02 0.00 -0.02 0.00 0.00 33.50 32.24 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 -2.11 0.41 -4.29 -0.52 0.63 -1.26 -5.00 116.66 104.53 3ik9 n ARG 204 Ca 0.02 0.16 -0.26 0.00 -0.92 0.00 0.00 57.85 56.84 3ik9 n ARG 204 Cb 0.19 -1.47 -0.09 0.00 0.45 0.00 0.00 32.46 31.54 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 -1.66 2.09 0.85 -0.14 -0.14 -1.26 -5.05 119.74 114.42 3ik9 s LYS 205 Ca 0.64 -1.29 -0.12 0.00 -1.36 0.00 0.00 55.97 53.85 3ik9 s LYS 205 Cb -0.51 -2.16 0.13 0.00 -1.68 0.00 0.00 37.83 33.61 3ik9 s LYS 205 CO 0.58 0.43 1.20 -1.25 -0.76 0.00 0.00 175.35 175.55 3ik9 s PRO 206 N -2.93 1.42 0.69 -1.68 0.04 -1.26 -4.86 135.00 126.43 3ik9 s PRO 206 Ca 0.26 -0.26 -0.17 0.00 0.04 0.00 0.00 61.00 60.88 3ik9 s PRO 206 Cb -0.08 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 3ik9 s PRO 206 CO 0.16 -1.87 1.04 -2.30 0.04 0.00 0.00 177.00 174.06 3ik9 n PRO 207 N -3.41 0.66 -2.35 0.56 -0.02 -1.26 -4.27 135.00 124.92 3ik9 n PRO 207 Ca 0.12 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 3ik9 n PRO 207 Cb 0.60 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3ik9 n PRO 207 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ik9 s PRO 208 N -3.28 4.53 0.51 0.52 0.04 -1.26 -4.97 135.00 131.09 3ik9 s PRO 208 Ca 0.76 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.76 3ik9 s PRO 208 Cb -0.36 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 3ik9 s PRO 208 CO 0.48 0.07 0.02 0.16 0.04 0.00 0.00 177.00 177.76 3ik9 s ASP 209 N -0.75 4.00 0.20 6.66 -4.77 -1.26 -4.99 116.67 115.77 3ik9 s ASP 209 Ca 0.46 -1.68 -0.20 0.00 -3.30 0.00 0.00 52.55 47.83 3ik9 s ASP 209 Cb -0.35 0.57 0.15 0.00 -1.09 0.00 0.00 42.92 42.21 3ik9 s ASP 209 CO 0.45 -0.88 1.57 -0.33 0.70 0.00 0.00 175.17 176.68 3ik9 h GLU 210 N 1.37 -0.11 0.00 2.11 4.39 -2.00 -1.96 114.58 118.38 3ik9 h GLU 210 Ca -0.43 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.20 3ik9 h GLU 210 Cb 1.31 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 3ik9 h GLU 210 CO 0.72 -0.07 -0.38 0.82 -1.16 0.00 0.00 179.01 178.94 3ik9 h ILE 211 N -0.12 0.76 -0.19 3.13 2.04 -1.98 -2.74 117.51 118.42 3ik9 h ILE 211 Ca 0.26 -1.68 -0.07 0.00 1.00 0.00 0.00 64.86 64.37 3ik9 h ILE 211 Cb 0.56 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3ik9 h ILE 211 CO -0.78 0.37 -0.16 0.22 0.00 0.00 0.00 178.15 177.80 3ik9 h TYR 212 N 0.00 0.52 -0.11 1.37 3.20 -1.85 -2.50 116.97 117.61 3ik9 h TYR 212 Ca -0.00 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 3ik9 h TYR 212 Cb 1.06 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 3ik9 h TYR 212 CO 0.00 0.79 0.05 0.28 -1.64 0.00 0.00 178.16 177.64 3ik9 h VAL 213 N 0.11 1.13 -0.16 1.81 2.07 -1.13 -1.64 116.25 118.43 3ik9 h VAL 213 Ca 0.03 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3ik9 h VAL 213 Cb 0.69 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3ik9 h VAL 213 CO 0.04 0.11 0.00 -2.11 0.02 0.00 0.00 177.57 175.64 3ik9 n ARG 214 N -4.93 1.83 0.03 1.57 1.85 -1.05 -1.48 116.66 114.46 3ik9 n ARG 214 Ca -0.05 -1.23 -0.19 0.00 -1.00 0.00 0.00 57.85 55.37 3ik9 n ARG 214 Cb 0.10 -1.42 -0.12 0.00 -1.05 0.00 0.00 32.46 29.97 3ik9 n ARG 214 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 3ik9 h THR 215 N 2.57 1.39 -0.12 8.89 2.02 -1.16 -2.92 112.91 123.59 3ik9 h THR 215 Ca 0.00 -2.20 -0.07 0.00 0.77 0.00 0.00 66.41 64.91 3ik9 h THR 215 Cb 0.56 2.64 -0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3ik9 h THR 215 CO 0.00 0.65 -0.19 0.58 0.37 0.00 0.00 175.52 176.93 3ik9 h VAL 216 N 0.00 1.38 -0.96 3.16 2.07 -1.15 -2.60 116.25 118.14 3ik9 h VAL 216 Ca -0.11 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.03 3ik9 h VAL 216 Cb 1.49 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 33.24 3ik9 h VAL 216 CO 0.15 0.42 0.61 1.88 0.02 0.00 0.00 177.57 180.65 3ik9 h TYR 217 N -0.08 1.14 -0.86 1.57 0.99 -1.43 -1.52 116.97 116.77 3ik9 h TYR 217 Ca 0.01 0.03 0.17 0.00 2.00 0.00 0.00 58.73 60.94 3ik9 h TYR 217 Cb 0.77 -0.37 -0.06 0.00 1.00 0.00 0.00 36.73 38.06 3ik9 h TYR 217 CO 0.10 0.59 0.57 -0.91 -0.00 0.00 0.00 178.16 178.50 3ik9 h ASN 218 N 1.12 0.46 0.32 3.88 4.21 -1.30 -2.12 115.58 122.15 3ik9 h ASN 218 Ca 0.41 0.04 -0.24 0.00 1.21 0.00 0.00 56.30 57.72 3ik9 h ASN 218 Cb 0.16 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.32 3ik9 h ASN 218 CO -0.17 0.21 -0.99 0.40 -1.29 0.00 0.00 177.43 175.59 3ik9 h ILE 219 N 0.48 1.39 -0.02 2.81 2.04 -0.91 -3.41 117.51 119.89 3ik9 h ILE 219 Ca 0.44 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.82 3ik9 h ILE 219 Cb 0.97 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.53 3ik9 h ILE 219 CO -0.17 0.74 0.00 0.49 0.00 0.00 0.00 178.15 179.21