#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 0.62 0.32 0.00 2.02 -1.26 -5.04 118.70 115.36 3ik9 s GLU 3 Ca 0.00 -0.43 -0.28 0.00 0.02 0.00 0.00 54.97 54.29 3ik9 s GLU 3 Cb 0.00 -1.85 -0.09 0.00 0.10 0.00 0.00 34.13 32.29 3ik9 s GLU 3 CO 0.00 -2.43 1.06 0.15 0.02 0.00 0.00 175.26 174.06 3ik9 s LYS 4 N -5.89 4.50 0.56 1.61 1.02 -1.26 -4.92 119.74 115.36 3ik9 s LYS 4 Ca 0.74 1.66 -0.19 0.00 0.02 0.00 0.00 55.97 58.20 3ik9 s LYS 4 Cb -0.04 -2.97 -0.07 0.00 -0.52 0.00 0.00 37.83 34.24 3ik9 s LYS 4 CO 0.53 0.13 0.85 -2.30 -0.92 0.00 0.00 175.35 173.64 3ik9 n PRO 5 N 0.77 0.86 -3.87 -1.68 -0.02 -1.26 -4.79 135.00 125.01 3ik9 n PRO 5 Ca 0.01 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 3ik9 n PRO 5 Cb 0.47 -2.02 -0.16 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.45 1.29 -0.31 -0.52 2.20 -0.49 -1.76 119.74 117.70 3ik9 s LYS 6 Ca 0.72 -0.62 -0.16 0.00 -0.36 0.00 0.00 55.97 55.55 3ik9 s LYS 6 Cb -0.45 -2.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.67 3ik9 s LYS 6 CO 0.51 -0.53 0.43 -0.51 -0.36 0.00 0.00 175.35 174.89 3ik9 s LEU 7 N 1.62 4.24 -0.33 5.43 1.02 -0.77 -0.59 118.68 129.30 3ik9 s LEU 7 Ca -0.01 0.08 -0.12 0.00 0.02 0.00 0.00 54.13 54.10 3ik9 s LEU 7 Cb -0.17 -2.48 -0.02 0.00 0.02 0.00 0.00 46.19 43.55 3ik9 s LEU 7 CO -0.07 -0.33 0.21 -1.00 0.02 0.00 0.00 176.35 175.18 3ik9 s HIS 8 N 2.18 3.21 0.32 0.29 3.76 0.38 -1.87 115.29 123.56 3ik9 s HIS 8 Ca 0.16 -0.32 -0.13 0.00 -0.15 0.00 0.00 55.06 54.62 3ik9 s HIS 8 Cb -0.16 -2.43 0.05 0.00 1.11 0.00 0.00 32.58 31.15 3ik9 s HIS 8 CO 0.11 -0.38 0.68 0.98 -0.85 0.00 0.00 174.74 175.28 3ik9 n TYR 9 N 5.06 -2.08 -1.41 1.40 9.36 -1.20 -2.71 117.16 125.59 3ik9 n TYR 9 Ca -0.13 -1.52 -0.30 0.00 3.32 0.00 0.00 57.90 59.27 3ik9 n TYR 9 Cb 0.50 0.76 0.12 0.00 -0.63 0.00 0.00 39.34 40.09 3ik9 n TYR 9 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 3ik9 s PHE 10 N -3.23 2.54 -1.26 2.98 0.40 -1.26 0.61 117.98 118.76 3ik9 s PHE 10 Ca 0.14 1.11 -0.16 0.00 -0.60 0.00 0.00 56.93 57.42 3ik9 s PHE 10 Cb -0.04 -3.20 0.12 0.00 0.51 0.00 0.00 43.02 40.41 3ik9 s PHE 10 CO 0.10 -2.19 1.61 -1.71 0.70 0.00 0.00 175.22 173.73 3ik9 n ASN 11 N -3.71 5.06 0.00 1.36 2.85 -1.26 -4.76 115.26 114.80 3ik9 n ASN 11 Ca 0.07 -2.95 0.00 0.00 -0.11 0.00 0.00 54.58 51.59 3ik9 n ASN 11 Cb 0.57 -1.66 0.00 0.00 1.24 0.00 0.00 39.78 39.92 3ik9 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ik9 n GLY 12 N 4.76 -1.26 0.00 8.20 0.00 -1.26 -5.02 105.19 110.61 3ik9 n GLY 12 Ca 0.43 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.06 0.00 0.00 1.61 1.74 -1.26 -4.75 116.66 113.94 3ik9 n ARG 13 Ca 0.00 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 3ik9 n ARG 13 Cb 0.00 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 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 1.29 1.93 0.22 -0.13 0.00 -1.26 -2.02 105.19 105.22 3ik9 n GLY 14 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 1.15 -0.00 1.61 1.74 -1.26 -3.69 116.66 130.20 3ik9 n ARG 15 Ca 0.00 -0.44 0.10 0.00 -0.77 0.00 0.00 57.85 56.74 3ik9 n ARG 15 Cb 0.00 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.81 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 -0.54 0.47 -0.09 5.56 1.56 -0.86 -4.55 117.12 118.66 3ik9 n MET 16 Ca 0.19 -0.09 -0.01 0.00 -0.27 0.00 0.00 57.70 57.52 3ik9 n MET 16 Cb 0.26 -1.47 0.24 0.00 2.15 0.00 0.00 33.22 34.39 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 0.74 0.00 2.12 4.57 -1.50 -1.64 114.58 118.86 3ik9 h GLU 17 Ca 0.00 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 3ik9 h GLU 17 Cb 0.70 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 3ik9 h GLU 17 CO 0.00 0.66 -0.17 0.66 -1.18 0.00 0.00 179.01 178.98 3ik9 h SER 18 N 0.72 0.00 0.59 1.04 4.64 -1.85 0.22 113.55 118.91 3ik9 h SER 18 Ca 0.16 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.23 3ik9 h SER 18 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3ik9 h SER 18 CO -0.01 0.17 -1.14 0.74 -0.87 0.00 0.00 176.83 175.73 3ik9 h THR 19 N 0.00 1.49 0.32 2.95 2.02 -1.61 -0.19 112.91 117.89 3ik9 h THR 19 Ca -0.00 -2.93 -0.02 0.00 0.77 0.00 0.00 66.41 64.24 3ik9 h THR 19 Cb 0.54 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 3ik9 h THR 19 CO 0.02 0.86 -0.15 0.03 0.37 0.00 0.00 175.52 176.65 3ik9 h ARG 20 N 0.10 -0.41 -0.56 6.66 3.08 -0.77 0.91 114.38 123.39 3ik9 h ARG 20 Ca -0.11 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.08 3ik9 h ARG 20 Cb 1.84 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 31.87 3ik9 h ARG 20 CO 0.19 -0.10 -0.20 -1.49 -1.07 0.00 0.00 179.97 177.30 3ik9 h TRP 21 N -0.75 -0.48 -0.17 3.04 4.06 -1.08 -0.67 115.95 119.89 3ik9 h TRP 21 Ca -0.04 0.06 -0.06 0.00 2.06 0.00 0.00 58.89 60.90 3ik9 h TRP 21 Cb 0.50 0.30 -0.00 0.00 -1.00 0.00 0.00 29.16 28.96 3ik9 h TRP 21 CO 0.02 -0.29 -0.12 1.25 -3.56 0.00 0.00 178.44 175.73 3ik9 h LEU 22 N -0.06 0.40 -0.52 -4.49 5.85 -0.87 -1.11 115.31 114.51 3ik9 h LEU 22 Ca 0.26 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.58 3ik9 h LEU 22 Cb 0.47 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3ik9 h LEU 22 CO -0.61 0.76 0.27 -0.07 -0.34 0.00 0.00 178.44 178.46 3ik9 h LEU 23 N 0.05 0.40 -0.42 2.25 3.38 -0.68 -1.04 115.31 119.25 3ik9 h LEU 23 Ca 0.03 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ik9 h LEU 23 Cb 0.63 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3ik9 h LEU 23 CO 0.03 0.28 0.26 0.00 0.09 0.00 0.00 178.44 179.11 3ik9 h ALA 24 N 1.27 0.53 -0.19 1.53 0.00 -1.02 -0.90 119.26 120.48 3ik9 h ALA 24 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ik9 h ALA 24 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ik9 h ALA 24 CO -0.14 -0.05 0.09 0.00 0.00 0.00 0.00 179.25 179.15 3ik9 h ALA 25 N 1.17 1.80 0.00 0.00 0.00 -0.81 0.53 119.26 121.94 3ik9 h ALA 25 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ik9 h ALA 25 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ik9 h ALA 25 CO -0.05 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3ik9 n ALA 26 N -2.51 2.24 -2.23 0.00 0.00 -0.43 -4.82 120.51 112.77 3ik9 n ALA 26 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ik9 n ALA 26 Cb 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.29 0.65 3.53 0.00 0.00 0.18 -5.04 105.19 105.79 3ik9 n GLY 27 Ca 0.06 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.47 4.07 0.54 1.61 1.01 -0.57 -5.02 120.40 119.57 3ik9 s VAL 28 Ca 0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 3ik9 s VAL 28 Cb 0.00 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 3ik9 s VAL 28 CO 0.00 0.49 1.01 -1.61 0.00 0.00 0.00 175.10 174.99 3ik9 s GLU 29 N 0.36 3.71 0.12 2.72 2.02 -1.26 -4.24 118.70 122.13 3ik9 s GLU 29 Ca -0.03 1.07 -0.21 0.00 0.02 0.00 0.00 54.97 55.82 3ik9 s GLU 29 Cb -0.14 -2.10 0.06 0.00 0.10 0.00 0.00 34.13 32.05 3ik9 s GLU 29 CO 0.02 -0.47 0.54 -0.59 0.02 0.00 0.00 175.26 174.78 3ik9 s PHE 30 N -2.53 -0.44 0.25 1.61 -0.12 -1.26 -4.31 117.98 111.19 3ik9 s PHE 30 Ca 0.61 0.27 0.07 0.00 -0.05 0.00 0.00 56.93 57.84 3ik9 s PHE 30 Cb -0.12 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 3ik9 s PHE 30 CO 0.33 -0.77 0.18 -1.21 -0.05 0.00 0.00 175.22 173.69 3ik9 s GLU 31 N -3.45 2.86 -0.05 1.99 2.02 -0.72 -5.01 118.70 116.33 3ik9 s GLU 31 Ca 0.00 -1.10 0.03 0.00 0.02 0.00 0.00 54.97 53.93 3ik9 s GLU 31 Cb -0.00 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.71 3ik9 s GLU 31 CO -0.10 0.39 -0.15 -1.21 0.02 0.00 0.00 175.26 174.22 3ik9 s GLU 32 N -3.83 1.73 -0.35 1.61 2.02 -1.26 -1.85 118.70 116.78 3ik9 s GLU 32 Ca 0.33 -0.51 -0.04 0.00 0.02 0.00 0.00 54.97 54.77 3ik9 s GLU 32 Cb -0.08 -1.46 0.06 0.00 0.10 0.00 0.00 34.13 32.75 3ik9 s GLU 32 CO 0.24 0.13 0.10 0.21 0.02 0.00 0.00 175.26 175.97 3ik9 s LYS 33 N 0.34 2.39 0.38 1.61 2.20 -0.78 -4.97 119.74 120.90 3ik9 s LYS 33 Ca -0.09 -1.39 -0.24 0.00 -0.36 0.00 0.00 55.97 53.89 3ik9 s LYS 33 Cb -0.13 -3.40 -0.10 0.00 -1.51 0.00 0.00 37.83 32.69 3ik9 s LYS 33 CO 0.03 -0.77 0.98 -0.06 -0.36 0.00 0.00 175.35 175.17 3ik9 s PHE 34 N 1.28 3.45 -0.46 4.03 0.08 -1.26 -3.25 117.98 121.85 3ik9 s PHE 34 Ca -0.00 1.69 -0.18 0.00 0.12 0.00 0.00 56.93 58.55 3ik9 s PHE 34 Cb -0.21 -2.97 0.04 0.00 -0.57 0.00 0.00 43.02 39.31 3ik9 s PHE 34 CO -0.01 -0.16 0.54 0.42 -0.10 0.00 0.00 175.22 175.92 3ik9 s ILE 35 N -1.78 4.97 -0.17 0.64 1.01 0.20 -4.90 121.20 121.17 3ik9 s ILE 35 Ca 0.56 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 3ik9 s ILE 35 Cb -0.17 -4.18 -0.23 0.00 0.01 0.00 0.00 42.46 37.89 3ik9 s ILE 35 CO 0.22 -0.62 0.17 0.29 0.00 0.00 0.00 174.94 175.00 3ik9 n LYS 36 N 5.91 0.71 -4.34 2.79 4.76 -1.26 -4.52 118.16 122.20 3ik9 n LYS 36 Ca -0.06 0.26 -0.17 0.00 -2.87 0.00 0.00 58.31 55.47 3ik9 n LYS 36 Cb 0.46 -1.65 -0.10 0.00 -1.84 0.00 0.00 35.03 31.90 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 -6.91 1.49 0.31 4.39 1.04 -1.26 -4.89 113.70 107.87 3ik9 s SER 37 Ca -0.27 -1.36 0.07 0.00 0.48 0.00 0.00 55.95 54.87 3ik9 s SER 37 Cb 0.08 0.10 0.79 0.00 0.10 0.00 0.00 66.02 67.08 3ik9 s SER 37 CO 0.70 -0.68 1.76 0.00 0.98 0.00 0.00 173.24 176.00 3ik9 h ALA 38 N 2.35 1.72 -0.29 5.32 0.00 -1.79 -0.73 119.26 125.84 3ik9 h ALA 38 Ca -0.39 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3ik9 h ALA 38 Cb 1.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3ik9 h ALA 38 CO 0.63 -0.12 -0.20 0.93 0.00 0.00 0.00 179.25 180.49 3ik9 h GLU 39 N 0.71 0.53 -0.45 0.00 3.07 -1.96 0.17 114.58 116.66 3ik9 h GLU 39 Ca 0.60 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 59.23 3ik9 h GLU 39 Cb 1.00 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.85 3ik9 h GLU 39 CO -0.40 0.70 0.09 -0.44 -1.40 0.00 0.00 179.01 177.56 3ik9 h ASP 40 N 0.48 0.69 -0.45 1.42 3.32 -1.55 -1.15 116.42 119.19 3ik9 h ASP 40 Ca 0.08 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3ik9 h ASP 40 Cb 0.61 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3ik9 h ASP 40 CO 0.04 0.76 0.26 0.25 -1.72 0.00 0.00 179.24 178.84 3ik9 h LEU 41 N 0.60 0.54 -1.50 1.55 5.85 -1.02 -2.59 115.31 118.75 3ik9 h LEU 41 Ca 0.14 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3ik9 h LEU 41 Cb 0.35 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3ik9 h LEU 41 CO 0.01 0.45 -0.03 0.44 -0.34 0.00 0.00 178.44 178.96 3ik9 h ASP 42 N 0.59 0.26 -0.11 1.25 3.32 -0.46 -0.50 116.42 120.78 3ik9 h ASP 42 Ca 0.16 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3ik9 h ASP 42 Cb 0.01 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3ik9 h ASP 42 CO -0.03 0.34 -0.04 0.50 -1.72 0.00 0.00 179.24 178.29 3ik9 h LYS 43 N 0.28 0.22 -0.19 3.56 1.63 -0.99 0.10 116.57 121.16 3ik9 h LYS 43 Ca 0.06 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 59.79 3ik9 h LYS 43 Cb 0.25 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3ik9 h LYS 43 CO 0.01 0.54 0.07 -0.07 -3.45 0.00 0.00 179.45 176.55 3ik9 h LEU 44 N -0.12 0.08 0.65 5.20 3.38 -1.05 -0.68 115.31 122.77 3ik9 h LEU 44 Ca 0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ik9 h LEU 44 Cb 0.47 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.23 3ik9 h LEU 44 CO 0.01 0.08 -0.31 0.03 0.09 0.00 0.00 178.44 178.34 3ik9 h ARG 45 N 0.16 -0.84 -0.03 1.13 3.08 -1.05 -2.14 114.38 114.69 3ik9 h ARG 45 Ca 0.08 0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.20 3ik9 h ARG 45 Cb 0.05 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3ik9 h ARG 45 CO -0.08 -0.54 0.04 -0.91 -1.07 0.00 0.00 179.97 177.40 3ik9 h ASN 46 N -0.91 0.00 0.33 7.04 2.35 -0.75 0.30 115.58 123.94 3ik9 h ASN 46 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3ik9 h ASN 46 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3ik9 h ASN 46 CO 0.15 0.00 -0.07 0.47 -1.65 0.00 0.00 177.43 176.33 3ik9 n ASP 47 N -3.79 0.37 -2.96 5.81 9.92 -0.27 -4.93 116.55 120.71 3ik9 n ASP 47 Ca -0.02 -0.61 -0.16 0.00 -0.53 0.00 0.00 54.79 53.47 3ik9 n ASP 47 Cb 0.12 -0.10 0.07 0.00 -0.64 0.00 0.00 41.12 40.57 3ik9 n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ik9 n GLY 48 N 1.23 -0.22 0.09 0.44 0.00 0.11 -4.93 105.19 101.91 3ik9 n GLY 48 Ca 0.16 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.91 0.46 -3.36 1.61 4.02 -0.82 -4.84 117.16 110.32 3ik9 n TYR 49 Ca -0.13 0.17 -0.45 0.00 -0.01 0.00 0.00 57.90 57.47 3ik9 n TYR 49 Cb 0.60 -1.06 -0.06 0.00 -0.02 0.00 0.00 39.34 38.80 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 -5.71 5.93 0.27 7.72 1.43 -1.25 -4.90 118.68 122.18 3ik9 s LEU 50 Ca -0.07 -1.64 0.01 0.00 -1.03 0.00 0.00 54.13 51.39 3ik9 s LEU 50 Cb 0.07 -2.18 0.57 0.00 0.03 0.00 0.00 46.19 44.68 3ik9 s LEU 50 CO 0.83 -0.77 1.78 -0.03 0.23 0.00 0.00 176.35 178.39 3ik9 h MET 51 N 8.80 0.71 -0.29 1.70 1.85 -1.88 -0.48 114.93 125.34 3ik9 h MET 51 Ca -0.29 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 58.71 3ik9 h MET 51 Cb 1.10 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 32.94 3ik9 h MET 51 CO 0.96 0.47 -0.00 1.19 -0.40 0.00 0.00 176.91 179.14 3ik9 n PHE 52 N -4.79 0.99 -2.19 1.39 3.72 -1.26 -4.94 117.46 110.38 3ik9 n PHE 52 Ca 0.18 -1.07 -0.19 0.00 -0.05 0.00 0.00 57.45 56.33 3ik9 n PHE 52 Cb 0.43 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 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 -0.70 -1.70 -4.23 -1.08 1.13 -0.19 -4.98 117.38 105.63 3ik9 n GLN 53 Ca 0.25 0.98 -0.21 0.00 -1.94 0.00 0.00 57.00 56.08 3ik9 n GLN 53 Cb 0.94 -5.56 -0.12 0.00 0.11 0.00 0.00 30.24 25.61 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 -4.68 0.98 0.24 -1.09 -0.21 -1.26 -5.03 119.66 108.61 3ik9 s GLN 54 Ca 0.00 -1.07 0.07 0.00 0.02 0.00 0.00 55.36 54.38 3ik9 s GLN 54 Cb 0.00 -1.11 -0.04 0.00 1.00 0.00 0.00 33.01 32.86 3ik9 s GLN 54 CO 0.00 0.25 0.19 0.14 -2.12 0.00 0.00 175.29 173.75 3ik9 s VAL 55 N -1.26 4.44 0.58 1.09 -7.23 -1.26 -4.66 120.40 112.10 3ik9 s VAL 55 Ca 0.03 -1.38 -0.19 0.00 -1.81 0.00 0.00 61.98 58.62 3ik9 s VAL 55 Cb -0.10 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 3ik9 s VAL 55 CO 0.03 -0.33 1.20 -2.84 -0.31 0.00 0.00 175.10 172.86 3ik9 s PRO 56 N -3.78 3.06 0.04 4.82 0.02 -1.26 -5.00 135.00 132.90 3ik9 s PRO 56 Ca 0.33 1.82 0.03 0.00 0.02 0.00 0.00 61.00 63.20 3ik9 s PRO 56 Cb -0.08 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 3ik9 s PRO 56 CO 0.25 -1.14 -0.09 1.41 -0.33 0.00 0.00 177.00 177.10 3ik9 s MET 57 N -3.28 0.60 -0.05 5.54 1.75 -1.10 -4.01 119.30 118.75 3ik9 s MET 57 Ca 0.76 -0.70 -0.02 0.00 -1.25 0.00 0.00 55.69 54.48 3ik9 s MET 57 Cb -0.30 -0.46 0.03 0.00 2.84 0.00 0.00 34.83 36.94 3ik9 s MET 57 CO 0.33 0.10 0.03 0.08 -0.65 0.00 0.00 175.02 174.91 3ik9 s VAL 58 N -1.12 0.09 -0.27 10.11 1.01 -0.58 -0.47 120.40 129.17 3ik9 s VAL 58 Ca -0.06 0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 3ik9 s VAL 58 Cb -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.99 3ik9 s VAL 58 CO 0.01 0.21 0.89 -1.61 0.00 0.00 0.00 175.10 174.59 3ik9 s GLU 59 N 2.06 4.11 -0.18 2.72 2.02 0.24 -1.34 118.70 128.32 3ik9 s GLU 59 Ca 0.05 0.92 -0.20 0.00 0.02 0.00 0.00 54.97 55.75 3ik9 s GLU 59 Cb -0.12 -3.68 0.05 0.00 0.10 0.00 0.00 34.13 30.48 3ik9 s GLU 59 CO -0.04 -0.64 0.54 -1.50 0.02 0.00 0.00 175.26 173.64 3ik9 s ILE 60 N 3.06 0.00 -1.08 -1.63 2.07 -0.40 -1.40 121.20 121.82 3ik9 s ILE 60 Ca 0.37 -0.03 -0.05 0.00 -1.41 0.00 0.00 60.65 59.53 3ik9 s ILE 60 Cb -0.14 -0.77 0.05 0.00 0.13 0.00 0.00 42.46 41.73 3ik9 s ILE 60 CO 0.10 -0.02 0.13 0.47 -1.91 0.00 0.00 174.94 173.71 3ik9 n ASP 61 N 2.52 0.03 0.00 4.50 8.00 -1.26 0.03 116.55 130.37 3ik9 n ASP 61 Ca -0.15 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3ik9 n ASP 61 Cb 0.56 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.65 3.04 3.91 0.44 0.00 -1.26 -5.02 105.19 104.65 3ik9 n GLY 62 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.28 3.18 -0.55 1.61 -1.94 0.10 -5.04 119.30 116.37 3ik9 s MET 63 Ca 0.00 0.06 0.04 0.00 -1.71 0.00 0.00 55.69 54.08 3ik9 s MET 63 Cb 0.00 -2.32 0.14 0.00 2.01 0.00 0.00 34.83 34.66 3ik9 s MET 63 CO 0.00 -0.49 0.32 0.15 -0.01 0.00 0.00 175.02 174.99 3ik9 s LYS 64 N -4.88 2.00 -0.10 2.03 1.02 -1.26 -1.28 119.74 117.27 3ik9 s LYS 64 Ca 0.51 -2.72 -0.21 0.00 0.02 0.00 0.00 55.97 53.56 3ik9 s LYS 64 Cb -0.10 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 3ik9 s LYS 64 CO 0.45 -1.17 0.61 -0.51 -0.92 0.00 0.00 175.35 173.82 3ik9 s LEU 65 N -0.50 4.28 0.44 3.17 1.43 -0.45 -4.87 118.68 122.17 3ik9 s LEU 65 Ca 0.19 1.01 0.07 0.00 -1.03 0.00 0.00 54.13 54.37 3ik9 s LEU 65 Cb -0.20 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 3ik9 s LEU 65 CO -0.05 -0.10 0.21 0.68 0.23 0.00 0.00 176.35 177.33 3ik9 s VAL 66 N 0.91 2.14 -0.01 -1.59 -7.23 -1.26 -1.53 120.40 111.82 3ik9 s VAL 66 Ca 0.32 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3ik9 s VAL 66 Cb -0.16 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 33.98 3ik9 s VAL 66 CO 0.14 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 174.95 3ik9 n GLN 67 N -1.34 -0.48 -0.28 4.82 1.13 -1.26 -4.56 117.38 115.41 3ik9 n GLN 67 Ca -0.02 0.81 0.00 0.00 -1.94 0.00 0.00 57.00 55.84 3ik9 n GLN 67 Cb 0.65 -1.23 0.04 0.00 0.11 0.00 0.00 30.24 29.81 3ik9 n GLN 67 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3ik9 n THR 68 N 0.17 -0.37 0.04 5.09 -1.04 -1.26 -0.37 114.28 116.54 3ik9 n THR 68 Ca -0.03 1.71 -0.03 0.00 -2.04 0.00 0.00 64.05 63.66 3ik9 n THR 68 Cb 0.04 -2.27 0.22 0.00 -1.82 0.00 0.00 70.33 66.50 3ik9 n THR 68 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3ik9 h ARG 69 N 0.00 0.42 -0.56 -2.82 3.08 -1.97 0.18 114.38 112.70 3ik9 h ARG 69 Ca 0.27 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 3ik9 h ARG 69 Cb 0.45 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3ik9 h ARG 69 CO -0.73 0.66 -0.05 0.00 -1.07 0.00 0.00 179.97 178.78 3ik9 h ALA 70 N 1.34 0.85 0.39 0.04 0.00 -0.97 0.31 119.26 121.22 3ik9 h ALA 70 Ca 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3ik9 h ALA 70 Cb 0.68 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ik9 h ALA 70 CO 0.05 0.66 -0.19 0.82 0.00 0.00 0.00 179.25 180.59 3ik9 h ILE 71 N 0.92 0.59 -0.65 0.00 2.04 -0.54 -2.43 117.51 117.44 3ik9 h ILE 71 Ca 0.16 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.64 3ik9 h ILE 71 Cb 0.60 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3ik9 h ILE 71 CO 0.04 0.08 0.35 -0.07 0.00 0.00 0.00 178.15 178.54 3ik9 h LEU 72 N -0.78 0.51 -0.51 1.44 3.38 -0.66 -1.74 115.31 116.95 3ik9 h LEU 72 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ik9 h LEU 72 Cb 0.53 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3ik9 h LEU 72 CO 0.09 0.33 0.32 0.78 0.09 0.00 0.00 178.44 180.05 3ik9 h ASN 73 N 0.65 0.59 0.23 -0.43 2.35 -0.96 0.19 115.58 118.20 3ik9 h ASN 73 Ca 0.29 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3ik9 h ASN 73 Cb 0.19 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3ik9 h ASN 73 CO -0.19 0.45 -0.15 0.22 -1.65 0.00 0.00 177.43 176.11 3ik9 h TYR 74 N 0.68 -0.40 -0.21 1.19 3.20 -1.05 -1.04 116.97 119.34 3ik9 h TYR 74 Ca 0.18 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3ik9 h TYR 74 Cb -0.05 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3ik9 h TYR 74 CO -0.03 -0.24 0.10 0.82 -1.64 0.00 0.00 178.16 177.17 3ik9 h ILE 75 N -0.38 0.99 -0.80 1.81 2.04 -1.00 0.21 117.51 120.38 3ik9 h ILE 75 Ca -0.02 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3ik9 h ILE 75 Cb 0.32 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3ik9 h ILE 75 CO 0.01 0.04 0.40 0.00 0.00 0.00 0.00 178.15 178.60 3ik9 h ALA 76 N 1.11 1.03 -0.13 1.87 0.00 -0.61 -2.43 119.26 120.09 3ik9 h ALA 76 Ca 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ik9 h ALA 76 Cb 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3ik9 h ALA 76 CO -0.06 0.57 -0.03 0.77 0.00 0.00 0.00 179.25 180.51 3ik9 h SER 77 N 1.12 0.25 -0.94 0.00 0.02 -0.74 0.30 113.55 113.56 3ik9 h SER 77 Ca 0.28 -0.36 0.14 0.00 -0.84 0.00 0.00 61.79 61.01 3ik9 h SER 77 Cb 0.09 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.48 3ik9 h SER 77 CO -0.04 0.55 0.60 0.50 -1.14 0.00 0.00 176.83 177.30 3ik9 h LYS 78 N -0.05 0.79 -0.33 3.45 3.64 -0.36 -2.62 116.57 121.08 3ik9 h LYS 78 Ca 0.03 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 3ik9 h LYS 78 Cb 0.44 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.00 3ik9 h LYS 78 CO 0.01 0.52 -0.04 0.66 -2.27 0.00 0.00 179.45 178.33 3ik9 n TYR 79 N -4.60 1.06 -4.29 1.91 4.01 -0.94 -4.96 117.16 109.36 3ik9 n TYR 79 Ca 0.18 -1.40 -0.33 0.00 -0.16 0.00 0.00 57.90 56.19 3ik9 n TYR 79 Cb 0.43 -0.45 -0.07 0.00 -0.31 0.00 0.00 39.34 38.95 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 -0.98 -0.59 -1.79 7.72 3.02 -0.99 -4.85 115.26 116.80 3ik9 n ASN 80 Ca 0.30 -1.18 -0.03 0.00 -0.03 0.00 0.00 54.58 53.65 3ik9 n ASN 80 Cb 1.00 -2.06 0.31 0.00 -0.61 0.00 0.00 39.78 38.41 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 -4.40 5.66 -0.79 3.41 4.77 0.10 -4.55 117.00 121.20 3ik9 n LEU 81 Ca -0.16 -3.21 0.03 0.00 -0.03 0.00 0.00 56.01 52.63 3ik9 n LEU 81 Cb 0.61 -0.71 0.21 0.00 -2.33 0.00 0.00 43.42 41.20 3ik9 n LEU 81 CO 0.86 0.81 0.47 0.00 -1.33 0.00 0.00 177.39 178.20 3ik9 n TYR 82 N -0.19 0.36 -0.37 -1.77 4.19 -1.16 -0.45 117.16 117.78 3ik9 n TYR 82 Ca 0.37 -1.54 0.05 0.00 3.31 0.00 0.00 57.90 60.09 3ik9 n TYR 82 Cb 1.29 -0.33 -0.01 0.00 0.49 0.00 0.00 39.34 40.77 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 -1.12 -1.53 0.03 2.98 0.00 -1.26 -4.33 105.19 99.95 3ik9 n GLY 83 Ca 0.24 -1.44 0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.99 0.53 -3.71 1.61 2.85 -1.26 -4.94 118.16 111.25 3ik9 n LYS 84 Ca 0.00 -0.09 -0.07 0.00 -1.05 0.00 0.00 58.31 57.10 3ik9 n LYS 84 Cb 0.17 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 32.94 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 -4.44 -0.32 0.45 -5.58 1.47 -1.26 -5.04 116.67 101.95 3ik9 s ASP 85 Ca -0.03 -0.38 0.34 0.00 1.18 0.00 0.00 52.55 53.66 3ik9 s ASP 85 Cb 0.13 0.62 1.52 0.00 -0.34 0.00 0.00 42.92 44.85 3ik9 s ASP 85 CO 0.87 -1.11 1.55 0.00 0.68 0.00 0.00 175.17 177.16 3ik9 n ILE 86 N -0.43 -0.22 0.09 2.11 3.06 -1.26 -0.09 119.36 122.62 3ik9 n ILE 86 Ca -0.08 1.76 -0.12 0.00 -2.50 0.00 0.00 62.75 61.81 3ik9 n ILE 86 Cb 0.61 -2.89 -0.08 0.00 0.54 0.00 0.00 39.64 37.82 3ik9 n ILE 86 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 3ik9 h LYS 87 N 0.00 0.24 0.11 9.51 1.57 -1.99 -2.52 116.57 123.49 3ik9 h LYS 87 Ca 0.88 -0.33 -0.29 0.00 -1.87 0.00 0.00 60.65 59.04 3ik9 h LYS 87 Cb 2.94 0.11 0.03 0.00 0.08 0.00 0.00 32.23 35.39 3ik9 h LYS 87 CO -0.41 1.09 -1.23 0.93 -0.57 0.00 0.00 179.45 179.26 3ik9 h GLU 88 N 0.10 0.60 -1.00 3.15 5.08 -0.87 -2.96 114.58 118.68 3ik9 h GLU 88 Ca -0.08 -0.80 0.20 0.00 -1.00 0.00 0.00 59.36 57.68 3ik9 h GLU 88 Cb 1.73 0.26 -0.10 0.00 0.50 0.00 0.00 28.75 31.14 3ik9 h GLU 88 CO 0.17 1.36 0.61 0.00 -1.00 0.00 0.00 179.01 180.15 3ik9 h ARG 89 N 0.27 0.67 -0.18 2.33 3.08 -1.25 0.91 114.38 120.21 3ik9 h ARG 89 Ca -0.18 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.64 3ik9 h ARG 89 Cb 1.90 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 31.81 3ik9 h ARG 89 CO 0.23 0.44 -0.63 0.00 -1.07 0.00 0.00 179.97 178.94 3ik9 h ALA 90 N 1.65 0.32 -0.48 0.04 0.00 -1.44 0.39 119.26 119.74 3ik9 h ALA 90 Ca 0.57 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ik9 h ALA 90 Cb 0.99 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3ik9 h ALA 90 CO -0.36 0.60 0.20 -0.07 0.00 0.00 0.00 179.25 179.62 3ik9 h LEU 91 N 0.47 0.66 0.24 0.00 3.38 -1.15 -1.50 115.31 117.40 3ik9 h LEU 91 Ca -0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3ik9 h LEU 91 Cb 1.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3ik9 h LEU 91 CO 0.13 0.64 -0.16 0.40 0.09 0.00 0.00 178.44 179.54 3ik9 h ILE 92 N 0.64 0.67 -0.75 1.22 2.04 0.11 -1.77 117.51 119.67 3ik9 h ILE 92 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 3ik9 h ILE 92 Cb 0.18 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3ik9 h ILE 92 CO -0.02 0.00 0.47 0.44 0.00 0.00 0.00 178.15 179.05 3ik9 h ASP 93 N -0.38 0.87 -0.55 1.72 3.32 -0.22 -1.03 116.42 120.15 3ik9 h ASP 93 Ca -0.02 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3ik9 h ASP 93 Cb 0.33 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3ik9 h ASP 93 CO 0.01 0.65 0.23 -0.03 -1.72 0.00 0.00 179.24 178.39 3ik9 h MET 94 N 1.02 0.81 0.05 3.56 4.05 -1.02 -2.35 114.93 121.04 3ik9 h MET 94 Ca 0.27 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3ik9 h MET 94 Cb -0.08 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.58 3ik9 h MET 94 CO -0.06 0.69 -0.02 1.88 0.23 0.00 0.00 176.91 179.63 3ik9 h TYR 95 N 0.74 -0.06 0.00 1.39 0.05 -0.53 -3.01 116.97 115.55 3ik9 h TYR 95 Ca 0.18 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.88 3ik9 h TYR 95 Cb 0.17 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3ik9 h TYR 95 CO 0.00 0.28 -0.37 -0.84 -1.05 0.00 0.00 178.16 176.18 3ik9 h ILE 96 N -0.42 0.86 -0.06 -2.88 3.07 -1.21 -1.88 117.51 115.00 3ik9 h ILE 96 Ca -0.01 -1.53 -0.14 0.00 1.55 0.00 0.00 64.86 64.73 3ik9 h ILE 96 Cb 0.37 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.85 3ik9 h ILE 96 CO 0.01 0.36 -0.61 -0.33 -1.05 0.00 0.00 178.15 176.54 3ik9 h GLU 97 N 0.00 0.20 -0.24 0.16 4.39 -1.49 0.89 114.58 118.49 3ik9 h GLU 97 Ca -0.00 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3ik9 h GLU 97 Cb 0.91 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 3ik9 h GLU 97 CO 0.05 0.75 0.15 0.78 -1.16 0.00 0.00 179.01 179.57 3ik9 h GLY 98 N 1.53 0.35 0.99 -3.84 0.00 -1.22 -1.02 103.07 99.87 3ik9 h GLY 98 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3ik9 h GLY 98 CO 0.09 0.14 -0.11 -2.22 0.00 0.00 0.00 176.54 174.44 3ik9 h ILE 99 N 0.31 0.78 -0.86 2.60 2.04 -0.81 -2.63 117.51 118.94 3ik9 h ILE 99 Ca 0.09 -0.03 0.17 0.00 1.00 0.00 0.00 64.86 66.09 3ik9 h ILE 99 Cb 0.00 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 3ik9 h ILE 99 CO -0.02 0.01 0.56 0.00 0.00 0.00 0.00 178.15 178.70 3ik9 h ALA 100 N 0.45 2.05 -0.32 1.87 0.00 0.87 0.75 119.26 124.93 3ik9 h ALA 100 Ca -0.03 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3ik9 h ALA 100 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ik9 h ALA 100 CO 0.05 -0.30 -0.42 -0.44 0.00 0.00 0.00 179.25 178.14 3ik9 h ASP 101 N 0.51 0.87 -0.19 0.00 5.19 -0.91 0.34 116.42 122.24 3ik9 h ASP 101 Ca 0.44 -0.41 -0.13 0.00 -0.62 0.00 0.00 57.03 56.31 3ik9 h ASP 101 Cb 0.93 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.20 3ik9 h ASP 101 CO -0.18 1.17 -0.39 0.25 -3.12 0.00 0.00 179.24 176.97 3ik9 h LEU 102 N 0.66 0.67 -1.41 1.55 5.85 -0.78 -3.18 115.31 118.67 3ik9 h LEU 102 Ca 0.05 -0.56 0.04 0.00 0.84 0.00 0.00 57.88 58.25 3ik9 h LEU 102 Cb 1.00 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 3ik9 h LEU 102 CO 0.10 1.10 0.44 1.23 -0.34 0.00 0.00 178.44 180.97 3ik9 h GLY 103 N 0.26 0.89 1.16 3.75 0.00 0.57 -2.36 103.07 107.34 3ik9 h GLY 103 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3ik9 h GLY 103 CO 0.09 0.25 0.32 -2.09 0.00 0.00 0.00 176.54 175.10 3ik9 h GLU 104 N 0.75 1.08 -0.55 4.80 4.57 -0.32 -0.29 114.58 124.63 3ik9 h GLU 104 Ca 0.27 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 3ik9 h GLU 104 Cb 0.14 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3ik9 h GLU 104 CO -0.08 0.86 -0.09 0.52 -1.18 0.00 0.00 179.01 179.04 3ik9 h MET 105 N 1.06 1.02 -0.51 1.92 2.86 -1.42 -2.86 114.93 117.00 3ik9 h MET 105 Ca 0.25 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3ik9 h MET 105 Cb 0.16 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3ik9 h MET 105 CO -0.03 1.06 0.19 0.82 1.06 0.00 0.00 176.91 180.01 3ik9 h ILE 106 N 0.90 1.22 -0.01 -1.22 2.04 -1.17 -1.16 117.51 118.11 3ik9 h ILE 106 Ca 0.14 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3ik9 h ILE 106 Cb 0.65 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3ik9 h ILE 106 CO 0.05 0.26 -0.13 0.40 0.00 0.00 0.00 178.15 178.73 3ik9 h ILE 107 N 0.69 1.10 0.00 -0.67 2.04 -0.96 -3.10 117.51 116.61 3ik9 h ILE 107 Ca 0.17 -0.49 -0.24 0.00 1.00 0.00 0.00 64.86 65.30 3ik9 h ILE 107 Cb 0.22 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 3ik9 h ILE 107 CO -0.01 0.14 -2.01 0.23 0.00 0.00 0.00 178.15 176.50 3ik9 n MET 108 N -4.37 0.66 -0.32 2.37 2.81 -1.09 -4.40 117.12 112.77 3ik9 n MET 108 Ca -0.02 0.04 0.31 0.00 -1.81 0.00 0.00 57.70 56.21 3ik9 n MET 108 Cb 0.21 -1.62 0.57 0.00 -0.71 0.00 0.00 33.22 31.67 3ik9 n MET 108 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3ik9 h LEU 109 N 0.00 0.34 -0.78 4.03 5.85 -1.13 1.21 115.31 124.83 3ik9 h LEU 109 Ca -0.32 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3ik9 h LEU 109 Cb 1.82 0.25 0.00 0.00 0.37 0.00 0.00 40.66 43.10 3ik9 h LEU 109 CO 0.03 -0.39 0.00 -2.65 -0.34 0.00 0.00 178.44 175.09 3ik9 n PRO 110 N -5.23 0.15 0.00 5.25 -0.02 -1.26 -2.63 135.00 131.27 3ik9 n PRO 110 Ca 0.37 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.42 3ik9 n PRO 110 Cb 1.24 -1.84 0.06 0.00 -0.02 0.00 0.00 33.50 32.94 3ik9 n PRO 110 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ik9 n PHE 111 N -2.14 0.00 -2.21 6.00 3.01 0.42 -4.94 117.46 117.60 3ik9 n PHE 111 Ca 0.01 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.07 3ik9 n PHE 111 Cb 0.17 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 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 0.70 2.13 -0.59 0.00 -0.02 -1.26 -4.72 135.00 131.24 3ik9 n PRO 113 Ca 0.01 0.77 0.46 0.00 -2.02 0.00 0.00 63.50 62.72 3ik9 n PRO 113 Cb 0.43 -2.55 0.73 0.00 -0.02 0.00 0.00 33.50 32.09 3ik9 n PRO 113 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ik9 n PRO 114 N 4.01 -0.01 -0.03 0.52 -0.04 -1.26 0.13 135.00 138.31 3ik9 n PRO 114 Ca 0.18 1.11 -0.17 0.00 -0.04 0.00 0.00 63.50 64.58 3ik9 n PRO 114 Cb 0.29 -2.40 -0.07 0.00 -0.04 0.00 0.00 33.50 31.28 3ik9 n PRO 114 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3ik9 h GLU 115 N 0.00 0.81 0.00 0.54 9.09 -2.03 -3.28 114.58 119.72 3ik9 h GLU 115 Ca 0.88 -0.65 0.00 0.00 0.05 0.00 0.00 59.36 59.64 3ik9 h GLU 115 Cb 3.27 0.13 0.00 0.00 -1.65 0.00 0.00 28.75 30.50 3ik9 h GLU 115 CO -0.19 1.26 0.00 0.93 0.05 0.00 0.00 179.01 181.05 3ik9 h GLU 116 N 0.56 0.00 0.00 1.06 5.08 0.69 -3.22 114.58 118.75 3ik9 h GLU 116 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3ik9 h GLU 116 Cb 1.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 3ik9 h GLU 116 CO 0.16 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 179.02 3ik9 h LYS 117 N 0.00 0.00 0.50 2.33 1.57 -1.61 -1.86 116.57 117.50 3ik9 h LYS 117 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3ik9 h LYS 117 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3ik9 h LYS 117 CO 0.00 0.02 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.22 3ik9 h ASP 118 N 0.00 -0.57 -0.61 0.86 5.19 -1.79 -1.59 116.42 117.92 3ik9 h ASP 118 Ca -0.00 0.02 0.11 0.00 -0.62 0.00 0.00 57.03 56.54 3ik9 h ASP 118 Cb 0.06 0.15 -0.08 0.00 0.18 0.00 0.00 39.33 39.63 3ik9 h ASP 118 CO 0.00 -0.25 0.16 0.00 -3.12 0.00 0.00 179.24 176.04 3ik9 h ALA 119 N -1.36 0.74 -0.08 3.45 0.00 -1.73 -1.64 119.26 118.64 3ik9 h ALA 119 Ca -0.07 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ik9 h ALA 119 Cb 0.52 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3ik9 h ALA 119 CO 0.11 -0.27 -0.38 -0.22 0.00 0.00 0.00 179.25 178.50 3ik9 h LYS 120 N 0.31 -0.47 -0.79 0.00 1.63 -1.42 -1.77 116.57 114.06 3ik9 h LYS 120 Ca 0.32 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 3ik9 h LYS 120 Cb 0.45 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 3ik9 h LYS 120 CO -0.37 -0.31 0.51 1.25 -3.45 0.00 0.00 179.45 177.08 3ik9 h LEU 121 N -0.48 0.91 -0.92 5.20 5.85 -0.38 0.11 115.31 125.60 3ik9 h LEU 121 Ca 0.07 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3ik9 h LEU 121 Cb 0.60 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3ik9 h LEU 121 CO -0.34 0.67 0.12 0.00 -0.34 0.00 0.00 178.44 178.55 3ik9 h ALA 122 N 1.28 1.11 -0.27 1.25 0.00 -1.19 -1.52 119.26 119.92 3ik9 h ALA 122 Ca 0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ik9 h ALA 122 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3ik9 h ALA 122 CO -0.06 0.59 0.05 1.25 0.00 0.00 0.00 179.25 181.08 3ik9 h LEU 123 N 0.87 0.43 -0.15 0.00 5.85 -0.52 -2.28 115.31 119.52 3ik9 h LEU 123 Ca 0.18 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.70 3ik9 h LEU 123 Cb 0.35 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3ik9 h LEU 123 CO 0.00 0.57 -0.20 0.40 -0.34 0.00 0.00 178.44 178.87 3ik9 h ILE 124 N 0.27 0.49 -0.89 4.05 2.04 -0.61 -1.84 117.51 121.03 3ik9 h ILE 124 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 3ik9 h ILE 124 Cb 0.32 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 3ik9 h ILE 124 CO 0.00 0.00 0.56 0.11 0.00 0.00 0.00 178.15 178.83 3ik9 h LYS 125 N -0.24 1.01 -0.31 2.37 1.57 -1.19 -0.07 116.57 119.71 3ik9 h LYS 125 Ca 0.11 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3ik9 h LYS 125 Cb 0.40 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3ik9 h LYS 125 CO -0.29 0.67 -0.29 0.93 -0.57 0.00 0.00 179.45 179.90 3ik9 h GLU 126 N 1.05 0.65 -0.36 3.15 5.08 -1.09 0.95 114.58 124.02 3ik9 h GLU 126 Ca 0.38 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3ik9 h GLU 126 Cb 0.12 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3ik9 h GLU 126 CO -0.16 0.87 -0.11 0.87 -1.00 0.00 0.00 179.01 179.49 3ik9 h LYS 127 N 0.56 0.62 0.87 2.33 1.57 -0.61 0.99 116.57 122.90 3ik9 h LYS 127 Ca 0.07 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3ik9 h LYS 127 Cb 0.78 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.04 3ik9 h LYS 127 CO 0.06 0.72 -0.42 0.82 -0.57 0.00 0.00 179.45 180.06 3ik9 h ILE 128 N 0.57 0.04 0.38 1.86 2.04 -0.51 0.25 117.51 122.15 3ik9 h ILE 128 Ca 0.10 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3ik9 h ILE 128 Cb 0.52 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3ik9 h ILE 128 CO 0.03 0.00 -0.18 0.50 0.00 0.00 0.00 178.15 178.50 3ik9 h LYS 129 N -1.28 -0.50 0.05 2.37 3.64 -0.78 -1.79 116.57 118.29 3ik9 h LYS 129 Ca -0.12 0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.06 3ik9 h LYS 129 Cb 0.90 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3ik9 h LYS 129 CO 0.20 -0.27 -1.05 -0.91 -2.27 0.00 0.00 179.45 175.14 3ik9 h ASN 130 N -0.63 0.41 0.00 4.20 2.35 0.93 -3.38 115.58 119.47 3ik9 h ASN 130 Ca -0.05 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3ik9 h ASN 130 Cb 0.46 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3ik9 h ASN 130 CO 0.09 1.23 -0.26 -1.14 -1.65 0.00 0.00 177.43 175.69 3ik9 n ARG 131 N -3.63 0.14 0.07 0.81 0.63 -0.12 -4.77 116.66 109.80 3ik9 n ARG 131 Ca -0.07 0.05 -0.06 0.00 -0.92 0.00 0.00 57.85 56.86 3ik9 n ARG 131 Cb 0.91 -0.68 -0.04 0.00 0.45 0.00 0.00 32.46 33.10 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 -0.26 -0.25 -0.68 -0.14 0.05 -0.61 -2.71 116.97 112.36 3ik9 h TYR 132 Ca 0.00 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.87 3ik9 h TYR 132 Cb 0.26 0.08 -0.07 0.00 1.01 0.00 0.00 36.73 38.01 3ik9 h TYR 132 CO -0.11 -0.04 0.30 0.74 -1.05 0.00 0.00 178.16 178.00 3ik9 h PHE 133 N -1.04 0.54 -0.51 4.88 -1.00 -1.54 0.35 116.94 118.62 3ik9 h PHE 133 Ca -0.03 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.80 3ik9 h PHE 133 Cb 0.33 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 3ik9 h PHE 133 CO 0.03 0.16 0.34 -1.35 -1.61 0.00 0.00 178.31 175.88 3ik9 h PRO 134 N 0.52 0.62 0.01 1.51 0.11 -1.74 0.17 132.00 133.20 3ik9 h PRO 134 Ca 0.34 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 3ik9 h PRO 134 Cb 0.40 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3ik9 h PRO 134 CO -0.30 0.41 -0.01 0.00 -0.21 0.00 0.00 178.00 177.90 3ik9 h ALA 135 N 1.69 -0.02 -0.02 -0.75 0.00 -0.63 -0.18 119.26 119.36 3ik9 h ALA 135 Ca 0.19 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 3ik9 h ALA 135 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ik9 h ALA 135 CO -0.05 -0.41 -0.79 0.74 0.00 0.00 0.00 179.25 178.75 3ik9 h PHE 136 N -0.23 0.25 0.59 0.00 0.04 -0.89 -2.42 116.94 114.29 3ik9 h PHE 136 Ca -0.00 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 3ik9 h PHE 136 Cb 0.22 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3ik9 h PHE 136 CO -0.00 0.89 -0.51 1.49 -0.60 0.00 0.00 178.31 179.58 3ik9 h GLU 137 N 0.11 -1.03 -1.04 1.51 4.57 -0.71 -2.40 114.58 115.59 3ik9 h GLU 137 Ca -0.03 0.07 0.33 0.00 -1.18 0.00 0.00 59.36 58.55 3ik9 h GLU 137 Cb 1.38 0.23 -0.14 0.00 -0.16 0.00 0.00 28.75 30.06 3ik9 h GLU 137 CO 0.12 -0.69 0.61 -0.22 -1.18 0.00 0.00 179.01 177.65 3ik9 h LYS 138 N -1.07 0.30 -0.27 1.92 3.64 -0.83 0.17 116.57 120.42 3ik9 h LYS 138 Ca -0.08 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3ik9 h LYS 138 Cb 0.91 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3ik9 h LYS 138 CO -0.02 0.20 0.02 0.28 -2.27 0.00 0.00 179.45 177.66 3ik9 h VAL 139 N 0.31 1.24 -0.42 2.00 2.07 -1.10 0.28 116.25 120.64 3ik9 h VAL 139 Ca 0.73 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3ik9 h VAL 139 Cb 1.75 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 3ik9 h VAL 139 CO -0.56 0.27 0.15 -0.07 0.02 0.00 0.00 177.57 177.39 3ik9 h LEU 140 N 0.26 0.59 -0.35 2.57 3.38 -0.37 -3.07 115.31 118.33 3ik9 h LEU 140 Ca 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3ik9 h LEU 140 Cb 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ik9 h LEU 140 CO 0.01 0.62 0.06 0.50 0.09 0.00 0.00 178.44 179.72 3ik9 h LYS 141 N 0.54 0.57 -0.21 1.13 3.64 -0.66 0.57 116.57 122.14 3ik9 h LYS 141 Ca 0.14 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3ik9 h LYS 141 Cb 0.22 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3ik9 h LYS 141 CO -0.01 0.64 0.02 1.03 -2.27 0.00 0.00 179.45 178.86 3ik9 h SER 142 N 0.41 0.27 -0.00 4.20 0.87 -0.35 -3.06 113.55 115.89 3ik9 h SER 142 Ca 0.11 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3ik9 h SER 142 Cb 0.34 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3ik9 h SER 142 CO 0.01 0.31 -0.20 0.00 -0.53 0.00 0.00 176.83 176.41 3ik9 n HIS 143 N -4.39 0.00 -0.38 2.24 1.44 -1.17 -5.02 115.22 107.95 3ik9 n HIS 143 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3ik9 n HIS 143 Cb 0.17 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.28 3ik9 n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3ik9 n GLY 144 N 1.05 0.38 3.70 -1.39 0.00 0.20 -4.95 105.19 104.17 3ik9 n GLY 144 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.49 0.17 0.37 1.61 -0.21 -1.25 -4.97 119.66 114.88 3ik9 s GLN 145 Ca 0.00 0.24 0.25 0.00 0.02 0.00 0.00 55.36 55.87 3ik9 s GLN 145 Cb 0.00 -1.73 0.67 0.00 1.00 0.00 0.00 33.01 32.95 3ik9 s GLN 145 CO 0.00 -2.84 1.72 -0.44 -2.12 0.00 0.00 175.29 171.61 3ik9 h ASP 146 N -1.96 0.00 -4.01 5.90 5.19 -1.92 -3.47 116.42 116.15 3ik9 h ASP 146 Ca -0.51 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.54 3ik9 h ASP 146 Cb 1.32 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.68 3ik9 h ASP 146 CO 0.52 0.00 -0.66 -0.31 -3.12 0.00 0.00 179.24 175.67 3ik9 s TYR 147 N -3.24 1.48 0.23 4.55 2.02 -1.26 -4.89 117.35 116.24 3ik9 s TYR 147 Ca 0.07 -0.94 -0.05 0.00 -0.37 0.00 0.00 57.07 55.78 3ik9 s TYR 147 Cb 0.08 -0.85 0.24 0.00 -0.40 0.00 0.00 41.96 41.03 3ik9 s TYR 147 CO 0.61 -0.07 1.76 -0.07 -1.57 0.00 0.00 175.55 176.20 3ik9 h LEU 148 N 2.53 0.94 -7.59 -1.29 3.38 -1.90 -3.43 115.31 107.95 3ik9 h LEU 148 Ca -0.38 -0.20 -0.21 0.00 0.09 0.00 0.00 57.88 57.18 3ik9 h LEU 148 Cb 1.22 -0.25 -0.28 0.00 0.09 0.00 0.00 40.66 41.44 3ik9 h LEU 148 CO 0.64 0.92 -0.60 -0.69 0.09 0.00 0.00 178.44 178.80 3ik9 s VAL 149 N -5.22 -0.01 -0.78 1.22 1.01 -1.26 -4.87 120.40 110.48 3ik9 s VAL 149 Ca -0.11 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3ik9 s VAL 149 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.36 3ik9 s VAL 149 CO 0.83 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.55 3ik9 n GLY 150 N 3.26 0.70 2.42 4.51 0.00 -1.26 -3.07 105.19 111.75 3ik9 n GLY 150 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.98 -5.33 -3.96 1.61 5.15 -1.26 -4.98 115.26 105.52 3ik9 n ASN 151 Ca -0.07 0.15 -0.10 0.00 -0.60 0.00 0.00 54.58 53.96 3ik9 n ASN 151 Cb 0.54 -4.53 -0.07 0.00 -0.53 0.00 0.00 39.78 35.20 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 -4.64 1.25 0.18 1.20 -2.85 -1.17 -4.86 119.74 108.84 3ik9 s LYS 152 Ca 0.00 -1.18 -0.33 0.00 -1.00 0.00 0.00 55.97 53.46 3ik9 s LYS 152 Cb 0.00 0.40 -0.14 0.00 -2.06 0.00 0.00 37.83 36.03 3ik9 s LYS 152 CO 0.00 -0.48 1.49 -0.11 0.10 0.00 0.00 175.35 176.36 3ik9 n LEU 153 N -0.26 2.89 -4.23 2.77 7.94 -1.26 -4.61 117.00 120.24 3ik9 n LEU 153 Ca -0.06 1.11 -0.13 0.00 -1.11 0.00 0.00 56.01 55.81 3ik9 n LEU 153 Cb 0.63 -1.39 -0.10 0.00 0.53 0.00 0.00 43.42 43.08 3ik9 n LEU 153 CO 0.24 -0.46 -0.24 -0.94 -1.11 0.00 0.00 177.39 174.88 3ik9 s SER 154 N 0.66 0.45 0.50 1.96 1.04 -1.26 -4.82 113.70 112.22 3ik9 s SER 154 Ca 0.76 -1.41 0.20 0.00 0.48 0.00 0.00 55.95 55.99 3ik9 s SER 154 Cb -0.71 0.34 1.26 0.00 0.10 0.00 0.00 66.02 67.01 3ik9 s SER 154 CO 0.43 -0.83 2.00 0.08 0.98 0.00 0.00 173.24 175.90 3ik9 h ARG 155 N 2.55 0.14 -0.86 4.02 0.11 -1.14 0.46 114.38 119.65 3ik9 h ARG 155 Ca -0.36 -0.01 0.13 0.00 0.10 0.00 0.00 59.98 59.84 3ik9 h ARG 155 Cb 1.25 -0.03 -0.07 0.00 1.11 0.00 0.00 29.97 32.23 3ik9 h ARG 155 CO 0.54 0.09 0.56 0.00 0.10 0.00 0.00 179.97 181.26 3ik9 h ALA 156 N 1.75 1.83 -0.13 0.08 0.00 -1.90 0.22 119.26 121.11 3ik9 h ALA 156 Ca 0.24 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 3ik9 h ALA 156 Cb 0.75 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3ik9 h ALA 156 CO -0.03 -0.05 -0.70 -0.44 0.00 0.00 0.00 179.25 178.02 3ik9 h ASP 157 N 0.69 0.68 -0.10 0.00 3.32 -1.31 -1.06 116.42 118.63 3ik9 h ASP 157 Ca 0.43 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3ik9 h ASP 157 Cb 0.67 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3ik9 h ASP 157 CO -0.19 1.18 -0.09 0.40 -1.72 0.00 0.00 179.24 178.83 3ik9 h ILE 158 N 0.41 1.35 -0.40 0.35 1.08 -0.98 -1.14 117.51 118.19 3ik9 h ILE 158 Ca -0.03 -1.22 -0.14 0.00 -0.39 0.00 0.00 64.86 63.09 3ik9 h ILE 158 Cb 1.29 1.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.97 3ik9 h ILE 158 CO 0.13 0.35 -0.29 0.45 -0.69 0.00 0.00 178.15 178.10 3ik9 h HIS 159 N -0.17 1.05 0.10 1.37 3.86 -0.68 0.29 115.15 120.98 3ik9 h HIS 159 Ca 0.02 -0.29 -0.00 0.00 -1.16 0.00 0.00 60.37 58.93 3ik9 h HIS 159 Cb 0.59 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3ik9 h HIS 159 CO 0.08 1.09 -0.05 1.25 0.86 0.00 0.00 177.93 181.17 3ik9 h LEU 160 N 0.71 -0.11 -0.43 2.43 5.85 -1.24 -2.02 115.31 120.50 3ik9 h LEU 160 Ca 0.08 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3ik9 h LEU 160 Cb 0.87 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3ik9 h LEU 160 CO 0.08 -0.07 0.20 0.58 -0.34 0.00 0.00 178.44 178.89 3ik9 h VAL 161 N -0.15 1.18 -0.48 1.05 2.07 -1.12 -1.45 116.25 117.35 3ik9 h VAL 161 Ca -0.01 -0.53 0.09 0.00 0.82 0.00 0.00 66.70 67.07 3ik9 h VAL 161 Cb 0.12 0.74 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 3ik9 h VAL 161 CO 0.02 0.20 -0.36 -0.08 0.02 0.00 0.00 177.57 177.37 3ik9 h GLU 162 N 0.55 -0.23 -0.79 1.57 4.81 -0.88 -0.24 114.58 119.37 3ik9 h GLU 162 Ca 0.15 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3ik9 h GLU 162 Cb 0.13 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3ik9 h GLU 162 CO -0.02 -0.15 0.48 1.25 -0.73 0.00 0.00 179.01 179.84 3ik9 h LEU 163 N -0.24 0.74 -0.65 1.64 5.85 -0.88 -0.53 115.31 121.25 3ik9 h LEU 163 Ca 0.19 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.06 3ik9 h LEU 163 Cb 0.55 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 3ik9 h LEU 163 CO -0.61 0.47 0.12 -0.07 -0.34 0.00 0.00 178.44 178.02 3ik9 h LEU 164 N 0.87 -0.05 -0.86 2.25 3.38 -0.02 0.38 115.31 121.26 3ik9 h LEU 164 Ca 0.35 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.47 3ik9 h LEU 164 Cb 0.18 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3ik9 h LEU 164 CO -0.18 -0.03 0.56 1.88 0.09 0.00 0.00 178.44 180.77 3ik9 h TYR 165 N 0.23 1.06 -0.15 1.13 0.05 0.08 -0.08 116.97 119.30 3ik9 h TYR 165 Ca 0.35 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 59.04 3ik9 h TYR 165 Cb 0.55 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3ik9 h TYR 165 CO -0.28 0.64 -0.38 -0.92 -1.05 0.00 0.00 178.16 176.18 3ik9 h TYR 166 N 1.13 0.37 -0.44 4.88 5.03 -0.56 -2.62 116.97 124.76 3ik9 h TYR 166 Ca 0.32 -0.10 -0.07 0.00 2.58 0.00 0.00 58.73 61.47 3ik9 h TYR 166 Cb -0.08 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.10 3ik9 h TYR 166 CO -0.02 0.66 0.01 0.28 -1.32 0.00 0.00 178.16 177.78 3ik9 h VAL 167 N 0.27 1.26 -0.68 1.81 2.07 0.15 -2.78 116.25 118.34 3ik9 h VAL 167 Ca 0.03 -1.02 0.13 0.00 0.82 0.00 0.00 66.70 66.66 3ik9 h VAL 167 Cb 0.80 1.05 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 3ik9 h VAL 167 CO 0.06 0.35 0.21 -0.08 0.02 0.00 0.00 177.57 178.14 3ik9 h GLU 168 N 0.62 0.34 -0.60 1.57 4.81 -0.78 0.42 114.58 120.96 3ik9 h GLU 168 Ca 0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ik9 h GLU 168 Cb 0.48 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3ik9 h GLU 168 CO 0.02 0.22 0.38 0.93 -0.73 0.00 0.00 179.01 179.83 3ik9 h GLU 169 N 0.35 0.80 -0.59 1.92 5.08 -1.32 -1.93 114.58 118.90 3ik9 h GLU 169 Ca 0.37 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.57 3ik9 h GLU 169 Cb 0.56 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3ik9 h GLU 169 CO -0.41 0.56 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.08 3ik9 h LEU 170 N 0.81 1.02 -6.41 1.33 4.07 -1.14 -3.46 115.31 111.53 3ik9 h LEU 170 Ca 0.22 -0.31 0.19 0.00 0.08 0.00 0.00 57.88 58.06 3ik9 h LEU 170 Cb -0.05 -0.28 -0.25 0.00 1.08 0.00 0.00 40.66 41.17 3ik9 h LEU 170 CO -0.04 1.09 0.28 -0.62 -1.08 0.00 0.00 178.44 178.06 3ik9 s ASP 171 N -6.54 -0.48 0.46 -0.43 -1.08 0.14 -5.02 116.67 103.72 3ik9 s ASP 171 Ca -0.12 0.66 0.26 0.00 -0.52 0.00 0.00 52.55 52.83 3ik9 s ASP 171 Cb 0.13 1.55 0.85 0.00 -1.46 0.00 0.00 42.92 43.99 3ik9 s ASP 171 CO 0.85 -0.09 1.79 0.77 0.52 0.00 0.00 175.17 179.01 3ik9 h SER 172 N 7.43 0.00 0.65 -0.34 4.64 -1.73 -2.97 113.55 121.23 3ik9 h SER 172 Ca -0.15 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.03 3ik9 h SER 172 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3ik9 h SER 172 CO 0.08 0.12 -0.67 0.77 -0.87 0.00 0.00 176.83 176.25 3ik9 h SER 173 N 0.00 0.02 -0.87 4.97 4.64 -1.93 -3.32 113.55 117.05 3ik9 h SER 173 Ca -0.00 -0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.41 3ik9 h SER 173 Cb 0.79 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.81 3ik9 h SER 173 CO 0.01 0.68 0.56 -0.07 -0.87 0.00 0.00 176.83 177.15 3ik9 h LEU 174 N 0.01 0.73 -0.04 5.97 3.38 -1.87 0.17 115.31 123.65 3ik9 h LEU 174 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ik9 h LEU 174 Cb 1.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3ik9 h LEU 174 CO 0.09 0.42 -0.01 0.00 0.09 0.00 0.00 178.44 179.02 3ik9 n ILE 175 N -4.53 0.00 -0.09 1.22 3.06 -1.25 -4.46 119.36 113.30 3ik9 n ILE 175 Ca 0.15 -0.01 -0.08 0.00 -2.50 0.00 0.00 62.75 60.31 3ik9 n ILE 175 Cb 0.35 -0.44 -0.06 0.00 0.54 0.00 0.00 39.64 40.03 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 0.10 -1.09 -0.22 9.51 4.64 -0.83 -2.50 113.55 123.16 3ik9 h SER 176 Ca 0.00 0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.34 3ik9 h SER 176 Cb 0.18 0.45 -0.07 0.00 -0.31 0.00 0.00 62.40 62.66 3ik9 h SER 176 CO 0.00 -0.23 0.16 -1.54 -0.87 0.00 0.00 176.83 174.35 3ik9 n SER 177 N -4.25 3.90 -3.20 4.97 3.41 -1.26 -4.36 113.62 112.84 3ik9 n SER 177 Ca -0.02 -2.45 -0.23 0.00 -0.26 0.00 0.00 58.87 55.91 3ik9 n SER 177 Cb 0.19 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 63.36 3ik9 n SER 177 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ik9 n PHE 178 N 0.37 -0.09 0.05 7.33 3.72 -0.94 -5.00 117.46 122.90 3ik9 n PHE 178 Ca 0.13 -3.63 0.01 0.00 -0.05 0.00 0.00 57.45 53.91 3ik9 n PHE 178 Cb 0.69 -0.37 0.34 0.00 -0.94 0.00 0.00 39.48 39.20 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 3.81 0.39 -0.32 -1.08 0.13 -1.80 -2.55 132.00 130.58 3ik9 h PRO 179 Ca 0.08 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 65.01 3ik9 h PRO 179 Cb 0.89 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 3ik9 h PRO 179 CO 0.48 0.47 -0.27 -0.07 -0.23 0.00 0.00 178.00 178.38 3ik9 h LEU 180 N 0.38 0.66 -1.06 1.56 3.38 -1.95 -2.29 115.31 115.99 3ik9 h LEU 180 Ca 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3ik9 h LEU 180 Cb 0.35 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3ik9 h LEU 180 CO 0.02 0.90 0.31 -0.07 0.09 0.00 0.00 178.44 179.69 3ik9 h LEU 181 N 0.56 0.88 -0.11 1.67 3.38 -1.83 -1.50 115.31 118.37 3ik9 h LEU 181 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ik9 h LEU 181 Cb 0.75 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3ik9 h LEU 181 CO 0.06 0.76 0.04 0.11 0.09 0.00 0.00 178.44 179.50 3ik9 h LYS 182 N 0.96 0.16 -0.53 1.13 1.57 -1.35 0.16 116.57 118.68 3ik9 h LYS 182 Ca 0.23 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 3ik9 h LYS 182 Cb 0.13 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3ik9 h LYS 182 CO -0.03 0.27 0.27 0.00 -0.57 0.00 0.00 179.45 179.39 3ik9 h ALA 183 N 0.89 0.68 -0.21 3.86 0.00 -1.30 -1.64 119.26 121.54 3ik9 h ALA 183 Ca 0.04 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ik9 h ALA 183 Cb 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3ik9 h ALA 183 CO -0.00 -0.07 -0.10 1.25 0.00 0.00 0.00 179.25 180.33 3ik9 h LEU 184 N 0.53 -0.32 0.06 0.00 5.85 -1.07 0.07 115.31 120.42 3ik9 h LEU 184 Ca 0.23 0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.06 3ik9 h LEU 184 Cb 0.13 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3ik9 h LEU 184 CO -0.16 -0.13 -0.43 0.50 -0.34 0.00 0.00 178.44 177.89 3ik9 h LYS 185 N -0.07 -0.60 -0.11 1.25 3.64 -0.12 -1.09 116.57 119.48 3ik9 h LYS 185 Ca 0.11 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 3ik9 h LYS 185 Cb 0.24 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 3ik9 h LYS 185 CO -0.25 -0.40 -0.17 1.15 -2.27 0.00 0.00 179.45 177.51 3ik9 h THR 186 N -0.62 0.57 -0.98 1.00 2.02 -1.21 -0.11 112.91 113.57 3ik9 h THR 186 Ca 0.03 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.39 3ik9 h THR 186 Cb 0.67 0.57 -0.10 0.00 -1.74 0.00 0.00 68.15 67.55 3ik9 h THR 186 CO -0.28 0.00 0.59 0.03 0.37 0.00 0.00 175.52 176.22 3ik9 h ARG 187 N -0.22 0.75 0.21 6.66 3.08 -0.54 -1.75 114.38 122.58 3ik9 h ARG 187 Ca 0.09 -0.05 -0.30 0.00 0.07 0.00 0.00 59.98 59.79 3ik9 h ARG 187 Cb 0.35 -0.17 0.03 0.00 0.08 0.00 0.00 29.97 30.26 3ik9 h ARG 187 CO -0.24 0.50 -1.37 0.82 -1.07 0.00 0.00 179.97 178.61 3ik9 h ILE 188 N 0.78 1.27 0.00 2.04 1.08 -0.90 -3.23 117.51 118.55 3ik9 h ILE 188 Ca 0.55 -2.62 0.00 0.00 -0.39 0.00 0.00 64.86 62.40 3ik9 h ILE 188 Cb 0.81 3.02 0.00 0.00 -3.07 0.00 0.00 36.82 37.58 3ik9 h ILE 188 CO -0.37 0.79 0.00 0.28 -0.69 0.00 0.00 178.15 178.16 3ik9 h SER 189 N -0.00 0.00 0.06 1.72 0.02 -0.60 -2.35 113.55 112.40 3ik9 h SER 189 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3ik9 h SER 189 Cb 2.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.56 3ik9 h SER 189 CO 0.22 0.00 -0.56 0.59 -1.14 0.00 0.00 176.83 175.95 3ik9 n ASN 190 N -2.72 1.55 -4.72 3.07 3.02 -0.70 -3.09 115.26 111.67 3ik9 n ASN 190 Ca -0.02 -1.23 -0.42 0.00 -0.03 0.00 0.00 54.58 52.88 3ik9 n ASN 190 Cb 0.07 0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.74 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 -2.63 4.37 0.17 3.41 1.43 -0.88 -4.80 118.68 119.74 3ik9 s LEU 191 Ca 0.17 2.62 -0.29 0.00 -1.03 0.00 0.00 54.13 55.60 3ik9 s LEU 191 Cb 0.18 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 3ik9 s LEU 191 CO 0.64 -0.83 1.55 -0.65 0.23 0.00 0.00 176.35 177.28 3ik9 h PRO 192 N 6.84 -0.10 -0.99 1.29 0.11 -1.89 0.13 132.00 137.39 3ik9 h PRO 192 Ca -0.43 0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.83 3ik9 h PRO 192 Cb 1.20 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 3ik9 h PRO 192 CO 0.92 -0.07 0.62 1.79 -0.21 0.00 0.00 178.00 181.05 3ik9 h THR 193 N -0.10 0.86 0.19 -1.15 1.35 -1.89 -0.62 112.91 111.54 3ik9 h THR 193 Ca 0.17 -0.31 -0.33 0.00 -0.55 0.00 0.00 66.41 65.39 3ik9 h THR 193 Cb 0.49 -0.12 0.01 0.00 -1.73 0.00 0.00 68.15 66.81 3ik9 h THR 193 CO -0.85 0.16 -1.63 0.58 -0.25 0.00 0.00 175.52 173.54 3ik9 h VAL 194 N 0.90 1.03 -0.66 6.82 2.07 -1.55 -2.74 116.25 122.11 3ik9 h VAL 194 Ca 0.51 -2.53 0.11 0.00 0.82 0.00 0.00 66.70 65.61 3ik9 h VAL 194 Cb 0.62 2.83 -0.08 0.00 -1.52 0.00 0.00 31.29 33.14 3ik9 h VAL 194 CO -0.28 0.83 0.24 0.50 0.02 0.00 0.00 177.57 178.88 3ik9 h LYS 195 N 0.05 0.40 -0.34 1.57 3.64 -0.48 0.16 116.57 121.57 3ik9 h LYS 195 Ca -0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3ik9 h LYS 195 Cb 2.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.77 3ik9 h LYS 195 CO 0.18 0.26 0.22 -0.22 -2.27 0.00 0.00 179.45 177.62 3ik9 h LYS 196 N 0.41 0.44 -0.19 1.90 3.64 -1.21 -1.07 116.57 120.49 3ik9 h LYS 196 Ca 0.35 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 3ik9 h LYS 196 Cb 0.47 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3ik9 h LYS 196 CO -0.35 0.30 0.04 0.35 -2.27 0.00 0.00 179.45 177.52 3ik9 h PHE 197 N 0.45 0.27 0.00 1.91 3.57 -1.10 -2.30 116.94 119.74 3ik9 h PHE 197 Ca 0.12 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3ik9 h PHE 197 Cb -0.04 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3ik9 h PHE 197 CO -0.05 0.25 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.90 3ik9 h LEU 198 N 0.27 0.00-10.29 0.59 3.38 -0.07 -3.42 115.31 105.77 3ik9 h LEU 198 Ca 0.07 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.53 3ik9 h LEU 198 Cb 0.12 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.04 3ik9 h LEU 198 CO -0.00 0.31 0.25 -1.10 0.09 0.00 0.00 178.44 177.98 3ik9 s GLN 199 N -3.21 1.36 0.78 1.13 -0.21 -0.46 -4.97 119.66 114.08 3ik9 s GLN 199 Ca 0.04 1.28 -0.11 0.00 0.02 0.00 0.00 55.36 56.59 3ik9 s GLN 199 Cb 0.08 -1.79 0.07 0.00 1.00 0.00 0.00 33.01 32.37 3ik9 s GLN 199 CO 0.70 -2.31 1.11 -2.14 -2.12 0.00 0.00 175.29 170.53 3ik9 s PRO 200 N -4.76 2.09 -0.33 2.91 0.02 -1.26 -3.47 135.00 130.20 3ik9 s PRO 200 Ca 0.64 1.28 0.00 0.00 0.02 0.00 0.00 61.00 62.95 3ik9 s PRO 200 Cb -0.20 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3ik9 s PRO 200 CO 0.58 -1.78 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 3ik9 n GLY 201 N -0.82 0.53 3.91 0.52 0.00 -1.26 -5.03 105.19 103.04 3ik9 n GLY 201 Ca 0.10 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.27 5.48 0.11 1.61 1.04 -1.23 -4.96 113.70 113.49 3ik9 s SER 202 Ca 0.00 0.81 0.06 0.00 0.48 0.00 0.00 55.95 57.30 3ik9 s SER 202 Cb 0.00 -1.72 0.35 0.00 0.10 0.00 0.00 66.02 64.75 3ik9 s SER 202 CO 0.00 -1.18 1.14 -2.65 0.98 0.00 0.00 173.24 171.52 3ik9 n PRO 203 N -2.73 0.04 -1.63 4.02 -0.02 -1.26 -4.75 135.00 128.68 3ik9 n PRO 203 Ca 0.05 0.49 -0.45 0.00 -2.02 0.00 0.00 63.50 61.58 3ik9 n PRO 203 Cb 0.58 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 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 -1.69 1.61 -4.20 -0.52 0.63 -1.26 -4.99 116.66 106.25 3ik9 n ARG 204 Ca -0.00 0.57 -0.24 0.00 -0.92 0.00 0.00 57.85 57.26 3ik9 n ARG 204 Cb 0.09 -2.07 -0.06 0.00 0.45 0.00 0.00 32.46 30.86 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 -1.08 2.57 0.81 -0.14 -0.14 -1.26 -4.98 119.74 115.52 3ik9 s LYS 205 Ca 0.63 -1.18 -0.12 0.00 -1.36 0.00 0.00 55.97 53.95 3ik9 s LYS 205 Cb -0.70 -2.38 0.08 0.00 -1.68 0.00 0.00 37.83 33.16 3ik9 s LYS 205 CO 0.56 0.41 1.16 -1.25 -0.76 0.00 0.00 175.35 175.47 3ik9 s PRO 206 N -3.48 1.93 0.70 -1.68 0.04 -1.26 -4.86 135.00 126.38 3ik9 s PRO 206 Ca 0.31 0.22 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 3ik9 s PRO 206 Cb -0.08 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 3ik9 s PRO 206 CO 0.21 -1.64 1.02 -2.30 0.04 0.00 0.00 177.00 174.33 3ik9 n PRO 207 N -3.37 0.63 -0.57 0.56 -0.02 -1.26 -4.38 135.00 126.59 3ik9 n PRO 207 Ca 0.07 0.27 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 3ik9 n PRO 207 Cb 0.60 -2.26 0.22 0.00 -0.02 0.00 0.00 33.50 32.03 3ik9 n PRO 207 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ik9 n PRO 208 N -1.80 -2.00 -3.83 0.52 -0.04 -1.26 -4.97 135.00 121.62 3ik9 n PRO 208 Ca 0.14 -0.56 -0.07 0.00 -0.04 0.00 0.00 63.50 62.97 3ik9 n PRO 208 Cb 0.49 -1.97 0.01 0.00 -0.04 0.00 0.00 33.50 31.98 3ik9 n PRO 208 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3ik9 s ASP 209 N -2.17 -0.08 0.53 3.54 1.47 -1.26 -5.02 116.67 113.67 3ik9 s ASP 209 Ca 0.63 -0.83 0.35 0.00 1.18 0.00 0.00 52.55 53.88 3ik9 s ASP 209 Cb -0.20 0.71 1.67 0.00 -0.34 0.00 0.00 42.92 44.75 3ik9 s ASP 209 CO 0.66 -1.37 2.05 -0.33 0.68 0.00 0.00 175.17 176.85 3ik9 h GLU 210 N 2.00 0.00 0.08 2.11 4.39 -1.96 -2.24 114.58 118.96 3ik9 h GLU 210 Ca -0.27 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 3ik9 h GLU 210 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3ik9 h GLU 210 CO 0.33 0.00 -0.04 0.82 -1.16 0.00 0.00 179.01 178.97 3ik9 h ILE 211 N 0.00 1.17 -0.59 3.13 1.08 -1.99 -1.45 117.51 118.87 3ik9 h ILE 211 Ca 0.00 -1.07 0.07 0.00 -0.39 0.00 0.00 64.86 63.46 3ik9 h ILE 211 Cb 0.26 1.85 -0.06 0.00 -3.07 0.00 0.00 36.82 35.80 3ik9 h ILE 211 CO 0.00 0.26 0.28 0.22 -0.69 0.00 0.00 178.15 178.22 3ik9 h TYR 212 N -0.62 0.51 -0.10 1.37 5.03 -1.84 -0.43 116.97 120.89 3ik9 h TYR 212 Ca -0.01 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.33 3ik9 h TYR 212 Cb 0.51 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 3ik9 h TYR 212 CO 0.08 0.22 0.05 0.28 -1.32 0.00 0.00 178.16 177.47 3ik9 h VAL 213 N 0.53 1.00 -0.40 1.81 2.07 -1.45 -0.83 116.25 118.98 3ik9 h VAL 213 Ca 0.27 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.71 3ik9 h VAL 213 Cb 0.23 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3ik9 h VAL 213 CO -0.21 0.02 0.04 -0.09 0.02 0.00 0.00 177.57 177.35 3ik9 h ARG 214 N 0.11 0.61 0.18 1.57 2.43 -0.90 0.26 114.38 118.63 3ik9 h ARG 214 Ca 0.04 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3ik9 h ARG 214 Cb 0.00 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3ik9 h ARG 214 CO -0.03 0.60 -0.20 1.15 -1.51 0.00 0.00 179.97 179.98 3ik9 h THR 215 N 0.59 0.56 0.53 0.20 2.02 -0.61 -1.72 112.91 114.48 3ik9 h THR 215 Ca 0.13 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 3ik9 h THR 215 Cb 0.30 0.56 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3ik9 h THR 215 CO 0.01 0.00 -0.26 0.58 0.37 0.00 0.00 175.52 176.22 3ik9 h VAL 216 N -0.42 0.45 -0.84 3.16 2.07 -0.70 -1.50 116.25 118.47 3ik9 h VAL 216 Ca 0.01 -0.16 0.21 0.00 0.82 0.00 0.00 66.70 67.57 3ik9 h VAL 216 Cb 0.40 0.52 -0.14 0.00 -1.52 0.00 0.00 31.29 30.56 3ik9 h VAL 216 CO -0.06 0.03 0.16 1.88 0.02 0.00 0.00 177.57 179.60 3ik9 h TYR 217 N -0.82 0.23 0.00 1.57 0.05 -0.99 0.12 116.97 117.13 3ik9 h TYR 217 Ca -0.07 0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3ik9 h TYR 217 Cb 0.59 0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.37 3ik9 h TYR 217 CO -0.02 -0.21 -0.02 -0.91 -1.05 0.00 0.00 178.16 175.95 3ik9 h ASN 218 N 0.18 0.00 0.22 3.88 2.35 -0.94 -2.79 115.58 118.47 3ik9 h ASN 218 Ca 0.50 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.09 3ik9 h ASN 218 Cb 0.97 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3ik9 h ASN 218 CO -0.65 0.02 -0.64 0.40 -1.65 0.00 0.00 177.43 174.90 3ik9 h ILE 219 N 0.00 1.36 -0.02 2.81 2.04 0.29 -3.40 117.51 120.59 3ik9 h ILE 219 Ca -0.00 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.87 3ik9 h ILE 219 Cb 0.65 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 3ik9 h ILE 219 CO 0.00 0.60 0.00 0.49 0.00 0.00 0.00 178.15 179.24