#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihk s LYS 3 N 0.00 2.96 0.10 1.09 1.02 -1.26 -3.56 119.74 120.09 3ihk s LYS 3 Ca 0.00 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 55.03 3ihk s LYS 3 Cb 0.00 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 3ihk s LYS 3 CO 0.00 -0.46 0.31 0.08 -0.92 0.00 0.00 175.35 174.35 3ihk s VAL 4 N 1.44 5.26 -0.05 3.17 1.01 -0.56 -0.74 120.40 129.93 3ihk s VAL 4 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3ihk s VAL 4 Cb -0.17 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3ihk s VAL 4 CO 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 175.10 175.17 3ihk s ALA 5 N -1.58 0.69 -0.17 5.51 0.00 -0.73 -2.38 121.76 123.10 3ihk s ALA 5 Ca 0.38 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 3ihk s ALA 5 Cb -0.13 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 3ihk s ALA 5 CO 0.25 -0.14 -0.03 -0.51 0.00 0.00 0.00 175.76 175.33 3ihk s LEU 6 N 1.19 3.19 -0.83 0.00 1.02 -0.44 -0.61 118.68 122.21 3ihk s LEU 6 Ca -0.07 -0.18 -0.10 0.00 0.02 0.00 0.00 54.13 53.81 3ihk s LEU 6 Cb -0.14 -1.78 0.21 0.00 0.02 0.00 0.00 46.19 44.51 3ihk s LEU 6 CO -0.02 0.13 0.74 -0.36 0.02 0.00 0.00 176.35 176.86 3ihk s PHE 7 N 0.60 3.76 1.22 0.29 0.40 0.55 -0.33 117.98 124.47 3ihk s PHE 7 Ca -0.02 -2.36 -0.20 0.00 -0.60 0.00 0.00 56.93 53.74 3ihk s PHE 7 Cb -0.14 -3.63 0.31 0.00 0.51 0.00 0.00 43.02 40.08 3ihk s PHE 7 CO 0.02 -0.93 0.80 0.45 0.70 0.00 0.00 175.22 176.27 3ihk n SER 8 N 3.53 -3.40 -0.50 1.36 2.88 -0.12 -2.35 113.62 115.02 3ihk n SER 8 Ca 0.15 -0.84 0.03 0.00 -1.33 0.00 0.00 58.87 56.88 3ihk n SER 8 Cb 0.43 -0.86 0.10 0.00 -0.75 0.00 0.00 64.21 63.13 3ihk n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ihk n GLY 9 N -4.71 0.36 0.00 0.46 0.00 -1.26 -3.80 105.19 96.24 3ihk n GLY 9 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3ihk n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihk n GLY 10 N 0.76 -1.04 3.39 -0.02 0.00 0.05 -4.93 105.19 103.39 3ihk n GLY 10 Ca 0.08 -1.57 -0.45 0.00 0.00 0.00 0.00 46.02 44.08 3ihk n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ihk s ASP 11 N -1.12 6.19 -1.46 1.61 1.01 -1.18 -4.87 116.67 116.84 3ihk s ASP 11 Ca 0.00 -1.32 -0.12 0.00 0.71 0.00 0.00 52.55 51.82 3ihk s ASP 11 Cb 0.00 -2.26 0.03 0.00 1.01 0.00 0.00 42.92 41.71 3ihk s ASP 11 CO 0.00 -0.90 2.37 0.18 0.21 0.00 0.00 175.17 177.03 3ihk n LEU 12 N 5.84 7.40 -0.08 1.23 4.77 -1.26 -4.53 117.00 130.37 3ihk n LEU 12 Ca -0.10 -4.33 0.14 0.00 -0.03 0.00 0.00 56.01 51.68 3ihk n LEU 12 Cb 0.43 -1.58 0.58 0.00 -2.33 0.00 0.00 43.42 40.51 3ihk n LEU 12 CO 0.54 1.46 0.84 0.41 -1.33 0.00 0.00 177.39 179.32 3ihk n THR 13 N 4.19 0.00 -3.84 -5.08 -1.04 -1.26 -4.78 114.28 102.46 3ihk n THR 13 Ca 0.57 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.05 62.42 3ihk n THR 13 Cb 0.34 -0.14 -0.13 0.00 -1.82 0.00 0.00 70.33 68.57 3ihk n THR 13 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3ihk s TYR 14 N -2.62 -0.07 -0.13 -1.42 6.14 -1.26 -4.93 117.35 113.05 3ihk s TYR 14 Ca 0.24 0.18 -0.33 0.00 0.64 0.00 0.00 57.07 57.81 3ihk s TYR 14 Cb 0.20 0.02 0.13 0.00 0.42 0.00 0.00 41.96 42.72 3ihk s TYR 14 CO 0.51 -0.04 1.12 -0.59 0.64 0.00 0.00 175.55 177.19 3ihk s PHE 15 N 0.08 -0.18 0.28 4.97 -0.12 -1.26 -4.71 117.98 117.03 3ihk s PHE 15 Ca -0.00 0.11 0.12 0.00 -0.05 0.00 0.00 56.93 57.10 3ihk s PHE 15 Cb -0.01 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 3ihk s PHE 15 CO -0.00 -0.31 -0.18 0.99 -0.05 0.00 0.00 175.22 175.67 3ihk s THR 16 N -2.62 2.53 -0.20 -4.49 2.01 -1.26 -5.06 115.64 106.55 3ihk s THR 16 Ca 0.08 -2.36 0.11 0.00 0.31 0.00 0.00 61.69 59.84 3ihk s THR 16 Cb -0.01 -2.36 -0.16 0.00 0.01 0.00 0.00 72.50 69.98 3ihk s THR 16 CO -0.06 -0.38 0.33 0.54 -0.69 0.00 0.00 174.62 174.36 3ihk n ARG 17 N -0.65 1.40 -1.09 4.92 1.74 -1.26 -4.83 116.66 116.89 3ihk n ARG 17 Ca -0.05 -0.07 -0.38 0.00 -0.77 0.00 0.00 57.85 56.58 3ihk n ARG 17 Cb 0.60 -1.19 -0.04 0.00 -1.02 0.00 0.00 32.46 30.81 3ihk n ARG 17 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ihk n ASP 18 N -1.68 3.15 -4.00 0.55 4.64 -1.26 -4.86 116.55 113.10 3ihk n ASP 18 Ca -0.01 -2.61 -0.12 0.00 -1.38 0.00 0.00 54.79 50.68 3ihk n ASP 18 Cb 0.26 -1.14 -0.12 0.00 -1.04 0.00 0.00 41.12 39.08 3ihk n ASP 18 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3ihk s PHE 19 N 4.53 0.41 -0.03 -0.67 0.40 -1.26 -4.99 117.98 116.37 3ihk s PHE 19 Ca 0.53 -0.40 -0.21 0.00 -0.60 0.00 0.00 56.93 56.25 3ihk s PHE 19 Cb 0.13 -0.26 -0.14 0.00 0.51 0.00 0.00 43.02 43.26 3ihk s PHE 19 CO 0.07 -0.10 0.91 -0.44 0.70 0.00 0.00 175.22 176.36 3ihk h ASP 20 N 4.95 -0.31 -3.87 1.36 5.19 -1.27 -3.45 116.42 119.03 3ihk h ASP 20 Ca -0.32 -0.22 -0.69 0.00 -0.62 0.00 0.00 57.03 55.19 3ihk h ASP 20 Cb 1.20 0.08 -0.21 0.00 0.18 0.00 0.00 39.33 40.58 3ihk h ASP 20 CO 0.43 0.17 -0.75 -0.47 -3.12 0.00 0.00 179.24 175.51 3ihk s TYR 21 N -3.72 2.76 -0.20 4.55 6.14 -1.07 -5.01 117.35 120.80 3ihk s TYR 21 Ca -0.12 -0.12 0.01 0.00 0.64 0.00 0.00 57.07 57.49 3ihk s TYR 21 Cb 0.01 -1.61 0.03 0.00 0.42 0.00 0.00 41.96 40.81 3ihk s TYR 21 CO 0.44 0.26 -0.17 -0.06 0.64 0.00 0.00 175.55 176.66 3ihk s PHE 22 N -0.84 2.82 -0.08 4.97 0.40 -1.26 -1.78 117.98 122.22 3ihk s PHE 22 Ca 0.13 -1.76 0.00 0.00 -0.60 0.00 0.00 56.93 54.71 3ihk s PHE 22 Cb -0.11 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 3ihk s PHE 22 CO 0.03 -0.81 -0.06 0.08 0.70 0.00 0.00 175.22 175.15 3ihk s VAL 23 N 1.27 3.73 -0.11 -0.44 1.01 0.22 -2.23 120.40 123.84 3ihk s VAL 23 Ca 0.02 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 3ihk s VAL 23 Cb -0.15 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.72 3ihk s VAL 23 CO -0.11 0.58 -0.09 -0.83 0.00 0.00 0.00 175.10 174.66 3ihk s GLY 24 N -0.62 0.86 -0.12 4.51 0.00 0.18 -0.33 107.32 111.80 3ihk s GLY 24 Ca 0.09 -0.58 -0.19 0.00 0.00 0.00 0.00 44.72 44.04 3ihk s GLY 24 CO 0.02 0.72 0.51 -0.42 0.00 0.00 0.00 173.10 173.93 3ihk s ILE 25 N 1.61 5.17 0.00 0.90 1.09 -0.99 -1.55 121.20 127.43 3ihk s ILE 25 Ca 0.04 1.01 0.00 0.00 -1.10 0.00 0.00 60.65 60.60 3ihk s ILE 25 Cb -0.13 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.43 3ihk s ILE 25 CO -0.08 0.31 0.00 0.47 -0.10 0.00 0.00 174.94 175.54 3ihk n ASP 26 N 3.76 0.00 0.25 3.58 9.92 -0.60 0.11 116.55 133.57 3ihk n ASP 26 Ca -0.06 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.27 3ihk n ASP 26 Cb 0.51 0.00 0.59 0.00 -0.64 0.00 0.00 41.12 41.59 3ihk n ASP 26 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3ihk h LYS 27 N 0.00 0.00 -0.80 -1.24 1.57 -1.88 -2.20 116.57 112.02 3ihk h LYS 27 Ca 0.00 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3ihk h LYS 27 Cb 0.00 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3ihk h LYS 27 CO 0.00 0.06 0.52 0.78 -0.57 0.00 0.00 179.45 180.25 3ihk h GLY 28 N 0.19 1.06 0.71 3.86 0.00 0.78 -0.47 103.07 109.20 3ihk h GLY 28 Ca -0.00 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.08 3ihk h GLY 28 CO 0.01 0.17 0.39 1.76 0.00 0.00 0.00 176.54 178.87 3ihk h SER 29 N 0.73 0.59 0.11 0.19 0.02 -1.47 0.12 113.55 113.84 3ihk h SER 29 Ca 0.37 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.19 3ihk h SER 29 Cb 0.46 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3ihk h SER 29 CO -0.14 0.39 -0.55 0.28 -1.14 0.00 0.00 176.83 175.66 3ihk h SER 30 N 0.73 0.53 0.07 3.07 0.02 -1.25 -3.05 113.55 113.66 3ihk h SER 30 Ca 0.30 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3ihk h SER 30 Cb 0.16 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3ihk h SER 30 CO -0.17 0.98 -0.03 0.15 -1.14 0.00 0.00 176.83 176.62 3ihk h PHE 31 N 0.36 -0.08 -0.38 3.45 3.57 -0.38 -1.20 116.94 122.28 3ihk h PHE 31 Ca 0.01 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3ihk h PHE 31 Cb 1.08 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.76 3ihk h PHE 31 CO 0.04 0.09 -0.27 1.25 -2.23 0.00 0.00 178.31 177.18 3ihk h LEU 32 N -0.24 -0.91 0.10 0.59 5.85 -0.77 -1.88 115.31 118.07 3ihk h LEU 32 Ca -0.01 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3ihk h LEU 32 Cb 0.20 0.44 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3ihk h LEU 32 CO 0.01 -0.29 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.71 3ihk h LEU 33 N -0.21 -0.12 0.00 2.25 3.38 -1.46 -1.17 115.31 117.98 3ihk h LEU 33 Ca 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3ihk h LEU 33 Cb 0.50 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3ihk h LEU 33 CO -0.50 -0.07 0.06 1.17 0.09 0.00 0.00 178.44 179.18 3ihk n LYS 34 N -5.14 0.00 -0.48 1.13 4.81 -0.46 -0.68 118.16 117.34 3ihk n LYS 34 Ca -0.08 0.36 0.06 0.00 -0.87 0.00 0.00 58.31 57.77 3ihk n LYS 34 Cb 0.09 -1.56 0.19 0.00 0.02 0.00 0.00 35.03 33.77 3ihk n LYS 34 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ihk n ASN 35 N -1.34 2.06 -3.99 3.14 3.02 -0.70 -4.96 115.26 112.48 3ihk n ASN 35 Ca 0.00 -3.64 -0.31 0.00 -0.03 0.00 0.00 54.58 50.60 3ihk n ASN 35 Cb 0.06 -0.52 0.01 0.00 -0.61 0.00 0.00 39.78 38.72 3ihk n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ihk n GLN 36 N -1.18 -4.58 -4.38 3.52 1.13 0.15 -4.96 117.38 107.08 3ihk n GLN 36 Ca 0.20 0.52 -0.29 0.00 -1.94 0.00 0.00 57.00 55.49 3ihk n GLN 36 Cb 0.73 -5.25 -0.12 0.00 0.11 0.00 0.00 30.24 25.70 3ihk n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3ihk s LEU 37 N -7.20 2.41 0.51 1.08 1.02 -0.53 -5.04 118.68 110.94 3ihk s LEU 37 Ca 0.56 -0.75 -0.23 0.00 0.02 0.00 0.00 54.13 53.73 3ihk s LEU 37 Cb -0.29 -1.26 -0.06 0.00 0.02 0.00 0.00 46.19 44.60 3ihk s LEU 37 CO 0.86 0.16 1.37 -2.84 0.02 0.00 0.00 176.35 175.93 3ihk s PRO 38 N -2.22 3.35 -0.58 1.29 0.02 -1.26 -4.09 135.00 131.51 3ihk s PRO 38 Ca 0.16 2.28 0.05 0.00 0.02 0.00 0.00 61.00 63.51 3ihk s PRO 38 Cb -0.10 -2.40 0.17 0.00 0.02 0.00 0.00 34.50 32.19 3ihk s PRO 38 CO 0.08 -1.04 0.43 -1.17 -0.33 0.00 0.00 177.00 174.97 3ihk s LEU 39 N -3.23 3.33 0.43 -5.54 2.96 -1.26 -4.73 118.68 110.64 3ihk s LEU 39 Ca 0.68 -3.52 0.24 0.00 -0.22 0.00 0.00 54.13 51.30 3ihk s LEU 39 Cb -0.41 -1.11 0.78 0.00 0.50 0.00 0.00 46.19 45.95 3ihk s LEU 39 CO 0.50 -0.12 1.76 0.44 -1.32 0.00 0.00 176.35 177.61 3ihk h ASP 40 N 5.49 0.00 -2.63 3.68 3.32 -1.80 -1.25 116.42 123.23 3ihk h ASP 40 Ca 0.20 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 3ihk h ASP 40 Cb 0.82 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.13 3ihk h ASP 40 CO 0.57 0.22 -0.24 -0.22 -1.72 0.00 0.00 179.24 177.85 3ihk s LEU 41 N -6.60 -0.68 -0.26 1.55 2.96 -1.13 -2.58 118.68 111.94 3ihk s LEU 41 Ca 0.02 1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 55.08 3ihk s LEU 41 Cb 0.09 1.73 0.01 0.00 0.50 0.00 0.00 46.19 48.53 3ihk s LEU 41 CO 0.65 -0.22 -0.01 0.00 -1.32 0.00 0.00 176.35 175.44 3ihk s ALA 42 N 2.25 2.84 0.13 5.97 0.00 -0.33 -0.65 121.76 131.98 3ihk s ALA 42 Ca -0.06 -1.39 0.05 0.00 0.00 0.00 0.00 51.96 50.56 3ihk s ALA 42 Cb -0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 3ihk s ALA 42 CO -0.15 -0.76 -0.11 -1.50 0.00 0.00 0.00 175.76 173.23 3ihk s ILE 43 N 1.41 1.19 -1.79 0.00 2.07 -0.59 -0.80 121.20 122.68 3ihk s ILE 43 Ca 0.02 -1.90 0.00 0.00 -1.41 0.00 0.00 60.65 57.36 3ihk s ILE 43 Cb -0.16 -1.68 0.00 0.00 0.13 0.00 0.00 42.46 40.75 3ihk s ILE 43 CO -0.02 -0.62 0.00 0.61 -1.91 0.00 0.00 174.94 173.00 3ihk n GLY 44 N 0.12 0.65 0.11 1.50 0.00 -1.09 -1.56 105.19 104.92 3ihk n GLY 44 Ca -0.13 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 43.83 3ihk n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ihk n ASP 45 N 1.07 1.03 -2.11 1.61 5.68 -1.26 -2.08 116.55 120.49 3ihk n ASP 45 Ca 0.00 -0.86 -0.14 0.00 -0.50 0.00 0.00 54.79 53.29 3ihk n ASP 45 Cb 0.00 0.61 -0.02 0.00 -1.14 0.00 0.00 41.12 40.56 3ihk n ASP 45 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3ihk n PHE 46 N -1.16 -1.01 1.76 2.11 3.72 -1.26 -4.79 117.46 116.83 3ihk n PHE 46 Ca 0.06 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.57 3ihk n PHE 46 Cb 0.36 -2.91 0.64 0.00 -0.94 0.00 0.00 39.48 36.62 3ihk n PHE 46 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3ihk n ASP 47 N -1.46 0.00 -0.82 4.37 5.75 -1.26 -2.82 116.55 120.32 3ihk n ASP 47 Ca -0.16 -1.09 0.09 0.00 -0.01 0.00 0.00 54.79 53.61 3ihk n ASP 47 Cb 0.58 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 40.91 3ihk n ASP 47 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3ihk n SER 48 N -0.88 3.72 -3.87 -1.12 7.64 -1.26 -4.99 113.62 112.86 3ihk n SER 48 Ca 0.16 -2.98 -0.11 0.00 1.01 0.00 0.00 58.87 56.95 3ihk n SER 48 Cb 0.07 -0.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.64 3ihk n SER 48 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3ihk s VAL 49 N -2.75 0.05 0.76 0.44 -7.23 -1.13 -4.63 120.40 105.90 3ihk s VAL 49 Ca 0.40 -0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 3ihk s VAL 49 Cb 0.33 -0.27 0.05 0.00 0.56 0.00 0.00 36.38 37.05 3ihk s VAL 49 CO 0.09 -0.22 1.10 -0.94 -0.31 0.00 0.00 175.10 174.81 3ihk s SER 50 N -0.71 4.56 0.50 4.85 1.04 -1.26 -4.77 113.70 117.92 3ihk s SER 50 Ca -0.08 1.86 0.23 0.00 0.48 0.00 0.00 55.95 58.44 3ihk s SER 50 Cb -0.05 -2.53 1.34 0.00 0.10 0.00 0.00 66.02 64.88 3ihk s SER 50 CO 0.00 -2.00 2.07 0.00 0.98 0.00 0.00 173.24 174.30 3ihk h ALA 51 N -0.96 1.49 -0.17 5.32 0.00 -1.96 0.14 119.26 123.12 3ihk h ALA 51 Ca -0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 3ihk h ALA 51 Cb 1.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3ihk h ALA 51 CO 0.52 0.15 -0.00 1.49 0.00 0.00 0.00 179.25 181.41 3ihk h GLU 52 N 0.00 0.30 -0.12 0.00 4.81 -2.00 -1.41 114.58 116.16 3ihk h GLU 52 Ca -0.00 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3ihk h GLU 52 Cb 0.27 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3ihk h GLU 52 CO 0.02 0.52 -0.06 0.93 -0.73 0.00 0.00 179.01 179.68 3ihk h GLU 53 N 0.04 0.26 0.00 1.92 5.08 -1.74 -2.95 114.58 117.18 3ihk h GLU 53 Ca 0.05 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ihk h GLU 53 Cb 0.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3ihk h GLU 53 CO 0.01 0.60 0.00 0.34 -1.00 0.00 0.00 179.01 178.96 3ihk n PHE 54 N -4.69 0.45 0.11 4.33 7.35 0.43 -1.16 117.46 124.29 3ihk n PHE 54 Ca -0.06 0.21 -0.21 0.00 -0.76 0.00 0.00 57.45 56.63 3ihk n PHE 54 Cb 0.28 -0.84 -0.13 0.00 0.35 0.00 0.00 39.48 39.14 3ihk n PHE 54 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3ihk h LYS 55 N 0.00 0.51 -0.07 -4.13 1.63 -1.07 -0.89 116.57 112.54 3ihk h LYS 55 Ca 0.00 -0.75 -0.19 0.00 -0.85 0.00 0.00 60.65 58.86 3ihk h LYS 55 Cb 0.12 0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3ihk h LYS 55 CO 0.00 1.34 -0.76 1.96 -3.45 0.00 0.00 179.45 178.55 3ihk h GLN 56 N 0.19 0.41 -0.17 1.90 1.08 -1.14 -3.05 115.11 114.33 3ihk h GLN 56 Ca -0.19 -0.35 -0.17 0.00 -1.45 0.00 0.00 58.65 56.50 3ihk h GLN 56 Cb 1.98 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.49 3ihk h GLN 56 CO 0.24 0.99 -0.54 0.82 -0.95 0.00 0.00 178.83 179.39 3ihk h ILE 57 N 0.27 1.32 0.00 2.54 2.04 -1.41 -3.11 117.51 119.17 3ihk h ILE 57 Ca -0.04 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.04 3ihk h ILE 57 Cb 1.34 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 3ihk h ILE 57 CO 0.13 0.56 0.00 0.50 0.00 0.00 0.00 178.15 179.34 3ihk h LYS 58 N 0.35 0.00 -1.92 2.37 3.64 -1.16 -2.46 116.57 117.39 3ihk h LYS 58 Ca -0.02 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.86 3ihk h LYS 58 Cb 1.16 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.58 3ihk h LYS 58 CO 0.12 0.00 -1.01 0.00 -2.27 0.00 0.00 179.45 176.29 3ihk n ALA 59 N -1.96 3.16 0.00 5.00 0.00 -1.16 -4.72 120.51 120.83 3ihk n ALA 59 Ca -0.01 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.62 3ihk n ALA 59 Cb 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3ihk n ALA 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ihk n LYS 60 N 0.03 0.00 -2.23 0.00 3.00 -1.18 -4.92 118.16 112.87 3ihk n LYS 60 Ca 0.26 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.14 3ihk n LYS 60 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.61 3ihk n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3ihk s ALA 61 N -0.51 3.61 -0.20 3.14 0.00 -0.93 -4.80 121.76 122.07 3ihk s ALA 61 Ca 0.00 0.77 0.19 0.00 0.00 0.00 0.00 51.96 52.92 3ihk s ALA 61 Cb 0.00 -3.64 1.02 0.00 0.00 0.00 0.00 23.12 20.50 3ihk s ALA 61 CO 0.00 -1.11 1.55 1.63 0.00 0.00 0.00 175.76 177.83 3ihk n LYS 62 N 6.17 0.12 -3.61 0.00 4.76 -0.47 -4.54 118.16 120.60 3ihk n LYS 62 Ca 0.14 0.61 -0.12 0.00 -2.87 0.00 0.00 58.31 56.08 3ihk n LYS 62 Cb 0.44 -1.96 -0.07 0.00 -1.84 0.00 0.00 35.03 31.60 3ihk n LYS 62 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3ihk s LYS 63 N -3.47 0.70 -0.02 1.97 2.47 -1.06 -4.95 119.74 115.38 3ihk s LYS 63 Ca -0.02 0.58 0.00 0.00 -1.56 0.00 0.00 55.97 54.97 3ihk s LYS 63 Cb 0.05 0.34 0.02 0.00 -1.46 0.00 0.00 37.83 36.78 3ihk s LYS 63 CO 0.17 -0.13 0.01 -1.17 0.16 0.00 0.00 175.35 174.39 3ihk s LEU 64 N -0.17 1.30 0.00 5.43 0.20 -1.26 -1.19 118.68 123.00 3ihk s LEU 64 Ca -0.01 0.01 0.00 0.00 0.69 0.00 0.00 54.13 54.82 3ihk s LEU 64 Cb -0.03 -0.11 0.00 0.00 -0.43 0.00 0.00 46.19 45.61 3ihk s LEU 64 CO -0.00 -0.09 0.00 0.52 -0.29 0.00 0.00 176.35 176.49 3ihk n VAL 65 N 3.92 0.00 -3.63 1.68 0.31 0.02 -4.98 118.33 115.65 3ihk n VAL 65 Ca -0.24 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.03 3ihk n VAL 65 Cb 0.52 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.39 3ihk n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ihk s ALA 67 N -2.00 -2.08 0.61 3.52 0.00 -0.89 -2.68 121.76 118.24 3ihk s ALA 67 Ca 0.00 1.76 -0.18 0.00 0.00 0.00 0.00 51.96 53.53 3ihk s ALA 67 Cb 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 3ihk s ALA 67 CO 0.00 -0.21 1.06 -2.30 0.00 0.00 0.00 175.76 174.32 3ihk n PRO 68 N 1.34 0.99 -0.00 0.00 -0.02 -1.26 -4.29 135.00 131.75 3ihk n PRO 68 Ca -0.09 0.38 -0.13 0.00 -2.02 0.00 0.00 63.50 61.65 3ihk n PRO 68 Cb 0.57 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.69 3ihk n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ihk h ALA 69 N 0.54 0.01 -2.31 3.55 0.00 -1.99 -3.40 119.26 115.66 3ihk h ALA 69 Ca -0.49 -0.19 -0.69 0.00 0.00 0.00 0.00 54.91 53.54 3ihk h ALA 69 Cb 1.36 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.96 3ihk h ALA 69 CO 0.52 -0.30 -0.15 -1.21 0.00 0.00 0.00 179.25 178.10 3ihk s GLU 70 N -4.74 3.10 0.36 0.00 2.02 -1.26 -5.02 118.70 113.16 3ihk s GLU 70 Ca -0.15 -0.79 -0.03 0.00 0.02 0.00 0.00 54.97 54.02 3ihk s GLU 70 Cb 0.03 -4.00 0.01 0.00 0.10 0.00 0.00 34.13 30.27 3ihk s GLU 70 CO 0.67 -0.93 0.51 0.36 0.02 0.00 0.00 175.26 175.90 3ihk n LYS 71 N 5.71 0.74 -0.05 1.61 2.85 -1.26 -5.08 118.16 122.67 3ihk n LYS 71 Ca -0.07 -2.83 -0.20 0.00 -1.05 0.00 0.00 58.31 54.17 3ihk n LYS 71 Cb 0.47 2.76 -0.13 0.00 -0.65 0.00 0.00 35.03 37.47 3ihk n LYS 71 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3ihk n ASN 72 N -1.61 2.02 -4.85 -5.58 5.03 -1.26 -4.96 115.26 104.04 3ihk n ASN 72 Ca 0.00 0.06 -0.32 0.00 0.87 0.00 0.00 54.58 55.19 3ihk n ASN 72 Cb 0.60 -0.64 -0.06 0.00 -1.02 0.00 0.00 39.78 38.67 3ihk n ASN 72 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3ihk s ASP 73 N -6.79 6.73 0.42 6.41 -0.00 -1.26 -5.08 116.67 117.10 3ihk s ASP 73 Ca -0.27 1.20 -0.10 0.00 -0.00 0.00 0.00 52.55 53.38 3ihk s ASP 73 Cb 0.08 -2.34 -0.06 0.00 -0.00 0.00 0.00 42.92 40.59 3ihk s ASP 73 CO 0.70 -0.19 0.78 -0.89 -0.00 0.00 0.00 175.17 175.57 3ihk s THR 74 N -1.97 4.78 0.35 -1.27 2.01 -1.26 -4.81 115.64 113.47 3ihk s THR 74 Ca 0.53 0.62 0.11 0.00 0.31 0.00 0.00 61.69 63.26 3ihk s THR 74 Cb -0.10 -3.74 0.34 0.00 0.01 0.00 0.00 72.50 69.00 3ihk s THR 74 CO 0.19 -0.56 1.79 0.44 -0.69 0.00 0.00 174.62 175.79 3ihk h ASP 75 N 1.15 0.63 -0.07 3.53 3.32 -1.98 0.55 116.42 123.55 3ihk h ASP 75 Ca -0.47 0.09 -0.13 0.00 0.02 0.00 0.00 57.03 56.53 3ihk h ASP 75 Cb 1.19 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3ihk h ASP 75 CO 0.64 0.20 -0.39 0.74 -1.72 0.00 0.00 179.24 178.70 3ihk h THR 76 N 0.60 1.30 -0.23 0.35 2.02 -1.95 0.35 112.91 115.34 3ihk h THR 76 Ca 0.57 -1.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.14 3ihk h THR 76 Cb 1.11 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 3ihk h THR 76 CO -0.33 0.49 -0.06 -0.33 0.37 0.00 0.00 175.52 175.67 3ihk h GLU 77 N 0.49 0.45 -0.67 6.66 5.08 -0.66 -0.94 114.58 124.99 3ihk h GLU 77 Ca 0.04 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3ihk h GLU 77 Cb 0.90 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 3ihk h GLU 77 CO 0.08 0.68 0.34 1.25 -1.00 0.00 0.00 179.01 180.36 3ihk h LEU 78 N 0.19 0.86 -0.57 1.33 7.12 0.09 -0.92 115.31 123.40 3ihk h LEU 78 Ca 0.06 -0.12 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 3ihk h LEU 78 Cb 0.52 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.40 3ihk h LEU 78 CO 0.02 0.73 0.30 0.00 -0.13 0.00 0.00 178.44 179.36 3ihk h ALA 79 N 1.16 0.73 -0.24 1.25 0.00 -0.11 -0.41 119.26 121.63 3ihk h ALA 79 Ca 0.23 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3ihk h ALA 79 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ihk h ALA 79 CO -0.03 0.27 -0.33 -0.07 0.00 0.00 0.00 179.25 179.08 3ihk h LEU 80 N 0.77 0.53 -0.37 0.00 3.38 -0.89 -1.78 115.31 116.95 3ihk h LEU 80 Ca 0.20 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3ihk h LEU 80 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3ihk h LEU 80 CO -0.03 0.83 -0.21 0.11 0.09 0.00 0.00 178.44 179.23 3ihk h LYS 81 N 0.44 0.79 0.47 1.13 1.57 -0.84 -2.45 116.57 117.68 3ihk h LYS 81 Ca 0.05 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 3ihk h LYS 81 Cb 0.79 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 3ihk h LYS 81 CO 0.06 0.98 -0.27 1.15 -0.57 0.00 0.00 179.45 180.81 3ihk h THR 82 N 0.58 0.44 -0.43 -0.16 2.02 -0.87 -2.82 112.91 111.67 3ihk h THR 82 Ca 0.08 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.32 3ihk h THR 82 Cb 0.77 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 3ihk h THR 82 CO 0.06 0.00 0.12 0.40 0.37 0.00 0.00 175.52 176.47 3ihk h ILE 83 N -0.70 0.82 0.00 3.11 2.04 -1.36 -0.18 117.51 121.25 3ihk h ILE 83 Ca -0.06 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3ihk h ILE 83 Cb 0.56 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3ihk h ILE 83 CO 0.07 0.05 0.00 -0.26 0.00 0.00 0.00 178.15 178.01 3ihk h PHE 84 N 0.27 0.00 0.07 1.37 0.04 -1.37 0.18 116.94 117.50 3ihk h PHE 84 Ca 0.21 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.76 3ihk h PHE 84 Cb 0.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3ihk h PHE 84 CO -0.18 0.00 -1.11 -0.44 -0.60 0.00 0.00 178.31 175.98 3ihk h ASP 85 N 0.00 0.22 -0.39 2.17 5.19 -0.80 -1.56 116.42 121.24 3ihk h ASP 85 Ca 0.00 -0.79 -0.13 0.00 -0.62 0.00 0.00 57.03 55.49 3ihk h ASP 85 Cb 0.00 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 3ihk h ASP 85 CO 0.00 1.47 -0.26 0.00 -3.12 0.00 0.00 179.24 177.33 3ihk n PHE 87 N -4.17 0.00 -1.56 0.00 3.72 0.54 -5.10 117.46 110.88 3ihk n PHE 87 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3ihk n PHE 87 Cb 0.47 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 3ihk n PHE 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ihk n GLY 88 N 1.93 0.53 3.56 1.37 0.00 -0.59 -4.66 105.19 107.34 3ihk n GLY 88 Ca -0.27 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 3ihk n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihk s ARG 89 N 0.00 3.46 0.36 1.61 0.52 -1.26 -4.45 118.95 119.19 3ihk s ARG 89 Ca 0.00 -1.05 0.08 0.00 -0.52 0.00 0.00 55.73 54.24 3ihk s ARG 89 Cb 0.00 -5.33 -0.04 0.00 0.52 0.00 0.00 34.95 30.10 3ihk s ARG 89 CO 0.00 -2.39 0.19 0.54 0.02 0.00 0.00 175.30 173.65 3ihk s VAL 90 N 5.70 2.90 -0.33 3.52 0.11 -1.26 -5.10 120.40 125.94 3ihk s VAL 90 Ca 0.50 -1.63 -0.20 0.00 -2.93 0.00 0.00 61.98 57.72 3ihk s VAL 90 Cb -0.01 -3.00 -0.01 0.00 -1.53 0.00 0.00 36.38 31.84 3ihk s VAL 90 CO -0.08 -0.13 0.60 -0.70 -3.33 0.00 0.00 175.10 171.46 3ihk s GLU 91 N -3.90 3.78 0.06 1.54 2.12 -1.23 -4.67 118.70 116.40 3ihk s GLU 91 Ca 0.40 0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.91 3ihk s GLU 91 Cb -0.02 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 3ihk s GLU 91 CO 0.23 -0.62 -0.12 0.42 -0.54 0.00 0.00 175.26 174.64 3ihk s ILE 92 N 2.58 3.27 -0.10 -3.70 1.01 0.20 -1.49 121.20 122.97 3ihk s ILE 92 Ca 0.23 -1.10 -0.00 0.00 0.00 0.00 0.00 60.65 59.78 3ihk s ILE 92 Cb -0.15 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.89 3ihk s ILE 92 CO 0.13 0.26 -0.07 -0.63 0.00 0.00 0.00 174.94 174.63 3ihk s ILE 93 N -1.06 0.93 -0.26 2.92 1.09 -1.00 -1.71 121.20 122.11 3ihk s ILE 93 Ca 0.18 -0.26 -0.09 0.00 -1.10 0.00 0.00 60.65 59.38 3ihk s ILE 93 Cb -0.11 -0.95 -0.04 0.00 -1.06 0.00 0.00 42.46 40.30 3ihk s ILE 93 CO 0.09 0.34 0.13 -0.69 -0.10 0.00 0.00 174.94 174.72 3ihk s VAL 94 N 1.52 4.84 0.10 2.92 1.01 0.90 -1.33 120.40 130.37 3ihk s VAL 94 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3ihk s VAL 94 Cb -0.13 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3ihk s VAL 94 CO -0.05 0.30 0.17 -0.36 0.00 0.00 0.00 175.10 175.16 3ihk s PHE 95 N 1.62 3.35 -1.33 5.22 0.08 0.55 -1.43 117.98 126.03 3ihk s PHE 95 Ca 0.07 0.13 -0.07 0.00 0.12 0.00 0.00 56.93 57.18 3ihk s PHE 95 Cb -0.15 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 3ihk s PHE 95 CO 0.07 0.54 0.86 0.41 -0.10 0.00 0.00 175.22 177.01 3ihk n GLY 96 N 0.06 -0.42 0.16 4.36 0.00 -1.26 -0.94 105.19 107.14 3ihk n GLY 96 Ca -0.07 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3ihk n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihk n ALA 97 N -4.21 2.75 -3.33 4.61 0.00 -1.26 -0.77 120.51 118.30 3ihk n ALA 97 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3ihk n ALA 97 Cb 0.58 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3ihk n ALA 97 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ihk n PHE 98 N -0.79 0.00 0.00 0.00 3.72 -1.26 -4.77 117.46 114.37 3ihk n PHE 98 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 3ihk n PHE 98 Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 3ihk n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ihk n GLY 99 N 3.39 -2.18 7.00 1.37 0.00 -1.26 -3.10 105.19 110.41 3ihk n GLY 99 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3ihk n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihk n GLY 100 N -1.17 1.17 3.73 -0.02 0.00 -1.26 -4.78 105.19 102.86 3ihk n GLY 100 Ca 0.00 0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3ihk n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihk s ARG 101 N 0.00 4.60 0.18 1.61 0.52 -1.26 -4.97 118.95 119.63 3ihk s ARG 101 Ca 0.00 1.29 0.01 0.00 -0.52 0.00 0.00 55.73 56.50 3ihk s ARG 101 Cb 0.00 -3.38 0.06 0.00 0.52 0.00 0.00 34.95 32.15 3ihk s ARG 101 CO 0.00 0.22 1.43 0.82 0.02 0.00 0.00 175.30 177.79 3ihk h ILE 102 N 4.14 1.42 -0.17 1.52 1.08 -2.01 -3.19 117.51 120.29 3ihk h ILE 102 Ca -0.43 -2.28 -0.06 0.00 -0.39 0.00 0.00 64.86 61.70 3ihk h ILE 102 Cb 1.21 2.23 -0.01 0.00 -3.07 0.00 0.00 36.82 37.17 3ihk h ILE 102 CO 0.72 0.68 -0.17 -2.24 -0.69 0.00 0.00 178.15 176.44 3ihk h ASP 103 N 0.20 0.27 0.00 1.72 -0.00 -1.98 -1.58 116.42 115.06 3ihk h ASP 103 Ca -0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 57.03 56.93 3ihk h ASP 103 Cb 1.35 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 40.61 3ihk h ASP 103 CO 0.13 0.46 0.00 1.41 -0.00 0.00 0.00 179.24 181.24 3ihk n HIS 104 N -4.22 0.00 0.00 4.15 8.25 -1.21 -2.71 115.22 119.48 3ihk n HIS 104 Ca -0.01 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 3ihk n HIS 104 Cb 0.31 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3ihk n HIS 104 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ihk n LEU 106 N 0.48 0.00 -0.26 2.41 4.77 -0.59 -2.12 117.00 121.69 3ihk n LEU 106 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3ihk n LEU 106 Cb 0.42 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 3ihk n LEU 106 CO 0.00 0.00 1.16 -1.28 -1.33 0.00 0.00 177.39 175.94 3ihk h SER 107 N 0.00 0.83 -0.15 -1.43 0.87 -1.77 0.77 113.55 112.67 3ihk h SER 107 Ca 0.00 -0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.31 3ihk h SER 107 Cb 0.00 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3ihk h SER 107 CO 0.00 0.61 -0.76 0.78 -0.53 0.00 0.00 176.83 176.93 3ihk h ASN 108 N 0.97 0.92 -0.67 6.23 2.35 -1.73 -2.62 115.58 121.04 3ihk h ASN 108 Ca 0.26 -0.63 0.02 0.00 -0.55 0.00 0.00 56.30 55.40 3ihk h ASN 108 Cb -0.09 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 37.97 3ihk h ASN 108 CO -0.05 1.41 0.44 0.40 -1.65 0.00 0.00 177.43 177.98 3ihk h ILE 109 N 0.51 1.14 -1.19 2.81 1.08 -1.77 -2.90 117.51 117.19 3ihk h ILE 109 Ca -0.05 -0.30 -0.62 0.00 -0.39 0.00 0.00 64.86 63.50 3ihk h ILE 109 Cb 1.39 0.20 -0.38 0.00 -3.07 0.00 0.00 36.82 34.97 3ihk h ILE 109 CO 0.16 0.16 -0.17 0.49 -0.69 0.00 0.00 178.15 178.09 3ihk n PHE 110 N -4.45 3.06 -0.30 1.37 3.72 0.24 -4.78 117.46 116.33 3ihk n PHE 110 Ca 0.08 -2.64 -0.05 0.00 -0.05 0.00 0.00 57.45 54.78 3ihk n PHE 110 Cb 0.08 -0.62 0.07 0.00 -0.94 0.00 0.00 39.48 38.07 3ihk n PHE 110 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3ihk h LEU 111 N 2.37 1.11 -2.75 4.37 3.38 -1.25 -2.51 115.31 120.03 3ihk h LEU 111 Ca 0.43 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3ihk h LEU 111 Cb 1.01 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3ihk h LEU 111 CO 1.05 0.97 0.00 -0.65 0.09 0.00 0.00 178.44 179.90 3ihk h PRO 112 N 1.18 0.00 0.00 1.13 0.11 -1.87 -2.17 132.00 130.38 3ihk h PRO 112 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3ihk h PRO 112 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3ihk h PRO 112 CO -0.03 0.00 0.06 0.77 -0.21 0.00 0.00 178.00 178.60 3ihk h SER 113 N 0.00 0.00 -3.27 -2.05 0.02 -1.84 -3.22 113.55 103.19 3ihk h SER 113 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3ihk h SER 113 Cb 0.02 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.48 3ihk h SER 113 CO 0.00 0.00 0.46 -0.62 -1.14 0.00 0.00 176.83 175.53 3ihk s ASP 114 N -4.07 6.93 0.39 3.07 -1.08 -0.82 -4.95 116.67 116.14 3ihk s ASP 114 Ca -0.03 1.15 0.19 0.00 -0.52 0.00 0.00 52.55 53.34 3ihk s ASP 114 Cb 0.07 -2.46 1.12 0.00 -1.46 0.00 0.00 42.92 40.19 3ihk s ASP 114 CO 0.21 -0.47 1.73 -0.65 0.52 0.00 0.00 175.17 176.51 3ihk h PRO 115 N 7.46 0.35 0.00 4.34 0.11 -1.90 0.20 132.00 142.56 3ihk h PRO 115 Ca -0.26 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3ihk h PRO 115 Cb 1.11 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3ihk h PRO 115 CO 0.86 0.23 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.42 3ihk h ASP 116 N 0.36 0.00 0.15 -2.05 3.32 -1.92 -3.29 116.42 113.00 3ihk h ASP 116 Ca 0.65 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.35 3ihk h ASP 116 Cb 1.65 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.15 3ihk h ASP 116 CO -0.37 0.03 -2.17 0.18 -1.72 0.00 0.00 179.24 175.18 3ihk n LEU 117 N -3.11 0.97 -0.35 1.55 7.99 0.47 -4.50 117.00 120.03 3ihk n LEU 117 Ca 0.03 0.12 0.10 0.00 -0.01 0.00 0.00 56.01 56.24 3ihk n LEU 117 Cb 0.47 0.03 0.21 0.00 -0.11 0.00 0.00 43.42 44.02 3ihk n LEU 117 CO 0.32 0.57 0.72 0.00 -1.51 0.00 0.00 177.39 177.50 3ihk h ALA 118 N 0.75 0.88 -0.32 -1.18 0.00 -0.94 0.42 119.26 118.88 3ihk h ALA 118 Ca -0.47 0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ihk h ALA 118 Cb 2.11 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 20.57 3ihk h ALA 118 CO 0.03 -0.47 0.22 -1.35 0.00 0.00 0.00 179.25 177.69 3ihk h PRO 119 N 0.00 0.24 -4.01 0.00 0.11 -1.79 -3.42 132.00 123.14 3ihk h PRO 119 Ca 0.53 -0.01 -0.76 0.00 0.11 0.00 0.00 66.00 65.86 3ihk h PRO 119 Cb 0.95 -0.06 -0.26 0.00 0.11 0.00 0.00 31.00 31.75 3ihk h PRO 119 CO -0.98 0.16 -0.14 -0.06 -0.21 0.00 0.00 178.00 176.77 3ihk s PHE 120 N -5.26 3.45 0.00 0.65 0.40 0.15 -4.91 117.98 112.46 3ihk s PHE 120 Ca -0.07 -1.66 0.00 0.00 -0.60 0.00 0.00 56.93 54.61 3ihk s PHE 120 Cb 0.18 -3.74 0.00 0.00 0.51 0.00 0.00 43.02 39.97 3ihk s PHE 120 CO 0.71 -1.00 0.00 0.54 0.70 0.00 0.00 175.22 176.17 3ihk n ARG 122 N 4.71 0.00 -0.00 0.44 5.12 -1.26 -3.76 116.66 121.90 3ihk n ARG 122 Ca -0.03 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 55.99 3ihk n ARG 122 Cb 0.42 -0.17 -0.09 0.00 -1.16 0.00 0.00 32.46 31.46 3ihk n ARG 122 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ihk s PHE 124 N -3.01 1.10 0.05 0.00 -0.12 -1.25 0.59 117.98 115.33 3ihk s PHE 124 Ca 0.08 -0.59 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 3ihk s PHE 124 Cb 0.16 -0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 41.92 3ihk s PHE 124 CO 0.86 0.02 -0.06 0.15 -0.05 0.00 0.00 175.22 176.14 3ihk s LYS 125 N -2.45 0.53 -0.18 1.99 1.02 -0.69 -4.63 119.74 115.33 3ihk s LYS 125 Ca 0.03 -0.87 -0.08 0.00 0.02 0.00 0.00 55.97 55.07 3ihk s LYS 125 Cb -0.05 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 3ihk s LYS 125 CO 0.01 -0.01 0.08 -0.51 -0.92 0.00 0.00 175.35 174.00 3ihk s LEU 126 N -1.95 3.92 -0.03 3.17 1.02 -0.59 -0.07 118.68 124.15 3ihk s LEU 126 Ca -0.06 0.14 -0.08 0.00 0.02 0.00 0.00 54.13 54.14 3ihk s LEU 126 Cb -0.05 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.18 3ihk s LEU 126 CO -0.02 0.20 0.19 -0.60 0.02 0.00 0.00 176.35 176.13 3ihk s ARG 127 N 0.24 0.43 0.17 1.70 6.06 -0.52 0.40 118.95 127.43 3ihk s ARG 127 Ca 0.05 -0.13 -0.07 0.00 -2.50 0.00 0.00 55.73 53.08 3ihk s ARG 127 Cb -0.12 0.19 0.03 0.00 0.06 0.00 0.00 34.95 35.11 3ihk s ARG 127 CO -0.00 -0.10 0.38 -0.40 -2.50 0.00 0.00 175.30 172.68 3ihk n ASP 128 N 1.95 -1.03 -0.08 -2.12 5.75 -0.79 -4.14 116.55 116.08 3ihk n ASP 128 Ca -0.19 -1.69 -0.02 0.00 -0.01 0.00 0.00 54.79 52.87 3ihk n ASP 128 Cb 0.57 1.71 -0.02 0.00 -1.03 0.00 0.00 41.12 42.35 3ihk n ASP 128 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3ihk n GLU 129 N -0.26 -0.08 -1.14 0.11 4.07 -1.26 -2.86 120.64 119.22 3ihk n GLU 129 Ca -0.04 0.63 -0.02 0.00 -0.06 0.00 0.00 57.16 57.67 3ihk n GLU 129 Cb 0.27 -0.93 0.14 0.00 -0.06 0.00 0.00 31.44 30.86 3ihk n GLU 129 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ihk n GLN 130 N -3.30 1.95 -3.83 5.31 10.64 -1.26 -5.02 117.38 121.87 3ihk n GLN 130 Ca 0.00 -3.41 -0.12 0.00 -1.83 0.00 0.00 57.00 51.65 3ihk n GLN 130 Cb 0.05 -1.63 -0.10 0.00 -0.86 0.00 0.00 30.24 27.70 3ihk n GLN 130 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 3ihk s ASN 131 N -3.23 -0.10 -0.04 2.61 -0.87 -1.13 -3.03 114.94 109.14 3ihk s ASN 131 Ca 0.40 0.06 -0.02 0.00 -1.57 0.00 0.00 52.86 51.74 3ihk s ASN 131 Cb 0.38 0.31 0.03 0.00 -0.02 0.00 0.00 41.25 41.95 3ihk s ASN 131 CO -0.05 -0.29 0.07 -0.22 -2.57 0.00 0.00 177.10 174.05 3ihk s LEU 132 N -0.87 0.34 -0.16 0.60 1.98 0.60 -1.89 118.68 119.28 3ihk s LEU 132 Ca -0.10 0.12 0.02 0.00 -2.89 0.00 0.00 54.13 51.28 3ihk s LEU 132 Cb -0.05 -0.04 0.02 0.00 0.66 0.00 0.00 46.19 46.78 3ihk s LEU 132 CO 0.02 -0.22 -0.20 -0.69 -1.89 0.00 0.00 176.35 173.36 3ihk s VAL 133 N 1.90 2.02 0.29 1.68 1.01 0.16 -0.57 120.40 126.89 3ihk s VAL 133 Ca 0.01 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.16 3ihk s VAL 133 Cb -0.12 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3ihk s VAL 133 CO -0.04 0.54 -0.05 -1.61 0.00 0.00 0.00 175.10 173.94 3ihk s GLU 134 N 1.08 2.06 -0.04 2.72 2.02 0.21 -1.54 118.70 125.20 3ihk s GLU 134 Ca -0.01 -1.61 0.02 0.00 0.02 0.00 0.00 54.97 53.39 3ihk s GLU 134 Cb -0.14 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 32.11 3ihk s GLU 134 CO -0.08 0.29 -0.10 -0.06 0.02 0.00 0.00 175.26 175.33 3ihk s PHE 135 N -2.43 1.16 -0.04 1.61 0.08 -1.26 -1.34 117.98 115.76 3ihk s PHE 135 Ca 0.32 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 57.07 3ihk s PHE 135 Cb -0.04 -0.86 -0.01 0.00 -0.57 0.00 0.00 43.02 41.54 3ihk s PHE 135 CO 0.18 -0.18 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.86 3ihk s PHE 136 N 0.47 1.91 0.94 0.36 0.40 0.31 -4.26 117.98 118.10 3ihk s PHE 136 Ca -0.09 -0.50 -0.12 0.00 -0.60 0.00 0.00 56.93 55.62 3ihk s PHE 136 Cb -0.12 -1.26 0.15 0.00 0.51 0.00 0.00 43.02 42.30 3ihk s PHE 136 CO 0.02 -0.14 1.09 -2.14 0.70 0.00 0.00 175.22 174.75 3ihk s PRO 137 N -0.15 0.92 0.47 0.24 0.02 -1.26 0.18 135.00 135.42 3ihk s PRO 137 Ca -0.01 0.68 -0.25 0.00 0.02 0.00 0.00 61.00 61.44 3ihk s PRO 137 Cb -0.11 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 3ihk s PRO 137 CO 0.02 -2.44 1.40 0.00 -0.33 0.00 0.00 177.00 175.65 3ihk n ALA 138 N -4.00 1.88 0.00 -1.55 0.00 -0.52 -4.57 120.51 111.76 3ihk n ALA 138 Ca 0.06 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3ihk n ALA 138 Cb 0.56 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3ihk n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihk n GLY 139 N 0.64 0.78 3.86 0.00 0.00 -0.33 -4.95 105.19 105.18 3ihk n GLY 139 Ca 0.06 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 3ihk n GLY 139 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ihk s GLN 140 N -1.45 3.39 0.13 1.61 0.74 -1.26 -2.03 119.66 120.79 3ihk s GLN 140 Ca 0.00 -0.17 -0.15 0.00 0.05 0.00 0.00 55.36 55.09 3ihk s GLN 140 Cb 0.00 -3.14 0.03 0.00 1.10 0.00 0.00 33.01 31.00 3ihk s GLN 140 CO 0.00 0.77 0.39 -1.01 -0.55 0.00 0.00 175.29 174.89 3ihk s HIS 141 N -1.02 -0.12 0.08 1.67 3.76 -0.66 -5.01 115.29 113.98 3ihk s HIS 141 Ca 0.15 -0.22 0.05 0.00 -0.15 0.00 0.00 55.06 54.90 3ihk s HIS 141 Cb -0.12 0.23 -0.03 0.00 1.11 0.00 0.00 32.58 33.77 3ihk s HIS 141 CO 0.04 -0.72 -0.13 -0.65 -0.85 0.00 0.00 174.74 172.43 3ihk s GLN 142 N -3.83 0.82 -0.09 1.40 -0.21 -1.26 -2.24 119.66 114.25 3ihk s GLN 142 Ca 0.05 -0.98 -0.06 0.00 0.02 0.00 0.00 55.36 54.39 3ihk s GLN 142 Cb 0.02 -0.78 0.03 0.00 1.00 0.00 0.00 33.01 33.29 3ihk s GLN 142 CO -0.10 0.17 0.22 -1.50 -2.12 0.00 0.00 175.29 171.95 3ihk s ILE 143 N -1.43 -0.02 -0.08 1.08 2.07 -0.92 -4.98 121.20 116.91 3ihk s ILE 143 Ca -0.01 0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.30 3ihk s ILE 143 Cb -0.09 -0.33 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 3ihk s ILE 143 CO 0.02 0.04 0.03 -1.61 -1.91 0.00 0.00 174.94 171.51 3ihk s GLU 144 N 0.77 3.05 0.30 3.50 2.02 -1.26 -1.67 118.70 125.41 3ihk s GLU 144 Ca -0.05 -0.38 -0.29 0.00 0.02 0.00 0.00 54.97 54.27 3ihk s GLU 144 Cb -0.07 -2.86 -0.13 0.00 0.10 0.00 0.00 34.13 31.18 3ihk s GLU 144 CO -0.05 0.71 1.27 0.94 0.02 0.00 0.00 175.26 178.15 3ihk n GLN 145 N 2.01 1.93 -3.16 1.61 7.27 -1.26 -4.99 117.38 120.80 3ihk n GLN 145 Ca -0.18 0.68 -0.31 0.00 0.07 0.00 0.00 57.00 57.26 3ihk n GLN 145 Cb 0.54 -2.24 -0.04 0.00 2.41 0.00 0.00 30.24 30.90 3ihk n GLN 145 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ihk s ALA 146 N -0.77 3.45 0.58 1.69 0.00 -1.26 -5.04 121.76 120.41 3ihk s ALA 146 Ca 0.60 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 52.13 3ihk s ALA 146 Cb -0.62 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3ihk s ALA 146 CO 0.58 0.25 1.24 0.95 0.00 0.00 0.00 175.76 178.78 3ihk s THR 147 N -2.09 2.52 0.00 0.00 -4.23 -1.26 -4.78 115.64 105.80 3ihk s THR 147 Ca 0.50 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 3ihk s THR 147 Cb -0.11 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.59 3ihk s THR 147 CO 0.25 -0.05 0.00 0.47 -0.54 0.00 0.00 174.62 174.75 3ihk n ASP 148 N -1.42 -1.23 0.00 3.99 9.92 -1.26 -5.16 116.55 121.39 3ihk n ASP 148 Ca 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 3ihk n ASP 148 Cb 0.49 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 3ihk n ASP 148 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3ihk n VAL 150 N -3.36 0.00 -3.45 2.53 0.31 -0.62 -4.83 118.33 108.91 3ihk n VAL 150 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 3ihk n VAL 150 Cb 0.47 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.38 3ihk n VAL 150 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ihk s TYR 151 N -1.98 3.49 -0.08 3.52 2.02 0.60 -4.58 117.35 120.34 3ihk s TYR 151 Ca 0.00 0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 56.98 3ihk s TYR 151 Cb 0.00 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 3ihk s TYR 151 CO 0.00 0.19 0.25 -1.50 -1.57 0.00 0.00 175.55 172.92 3ihk s ILE 152 N -2.19 0.01 0.03 2.71 2.07 0.27 -0.79 121.20 123.30 3ihk s ILE 152 Ca 0.40 -0.11 -0.00 0.00 -1.41 0.00 0.00 60.65 59.53 3ihk s ILE 152 Cb -0.10 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 3ihk s ILE 152 CO 0.34 -0.06 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.83 3ihk s SER 153 N -0.15 0.37 0.43 4.50 0.01 -0.87 -1.36 113.70 116.63 3ihk s SER 153 Ca -0.03 -0.66 0.03 0.00 1.31 0.00 0.00 55.95 56.60 3ihk s SER 153 Cb -0.03 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 3ihk s SER 153 CO 0.01 -0.39 0.06 -0.36 0.41 0.00 0.00 173.24 172.97 3ihk s PHE 154 N -2.23 1.93 -0.08 2.43 0.08 -0.99 -1.26 117.98 117.86 3ihk s PHE 154 Ca -0.08 -1.05 -0.03 0.00 0.12 0.00 0.00 56.93 55.89 3ihk s PHE 154 Cb -0.04 -1.41 0.05 0.00 -0.57 0.00 0.00 43.02 41.04 3ihk s PHE 154 CO -0.04 0.02 0.15 0.00 -0.10 0.00 0.00 175.22 175.26 3ihk s ALA 156 N -3.05 -0.12 0.55 5.36 0.00 -1.25 -1.58 121.76 121.67 3ihk s ALA 156 Ca 0.21 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 3ihk s ALA 156 Cb 0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 3ihk s ALA 156 CO 0.11 -0.56 1.17 0.00 0.00 0.00 0.00 175.76 176.48 3ihk s ALA 157 N 2.28 2.69 -0.42 0.00 0.00 -1.12 -3.83 121.76 121.36 3ihk s ALA 157 Ca 0.03 0.93 -0.20 0.00 0.00 0.00 0.00 51.96 52.73 3ihk s ALA 157 Cb -0.12 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.62 3ihk s ALA 157 CO -0.05 -0.92 0.58 0.09 0.00 0.00 0.00 175.76 175.45 3ihk n ASN 158 N -1.27 -7.47 -0.76 0.00 3.02 -1.26 -4.46 115.26 103.05 3ihk n ASN 158 Ca 0.12 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 3ihk n ASN 158 Cb 0.50 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 3ihk n ASN 158 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihk n GLY 159 N -0.21 0.00 3.73 7.41 0.00 -1.25 -4.91 105.19 109.96 3ihk n GLY 159 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3ihk n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihk s ALA 160 N 0.53 3.48 0.24 4.61 0.00 -1.26 -5.06 121.76 124.30 3ihk s ALA 160 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 51.96 50.90 3ihk s ALA 160 Cb 0.00 -1.71 -0.12 0.00 0.00 0.00 0.00 23.12 21.28 3ihk s ALA 160 CO 0.00 0.51 1.60 0.72 0.00 0.00 0.00 175.76 178.59 3ihk n HIS 161 N 2.40 2.61 -3.65 0.00 8.25 -1.26 -4.80 115.22 118.76 3ihk n HIS 161 Ca -0.19 0.23 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 3ihk n HIS 161 Cb 0.54 -2.59 -0.01 0.00 1.12 0.00 0.00 29.99 29.05 3ihk n HIS 161 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ihk s LEU 162 N 0.31 4.05 -0.02 2.41 1.43 -1.26 -4.37 118.68 121.22 3ihk s LEU 162 Ca 0.70 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 3ihk s LEU 162 Cb -0.55 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 42.93 3ihk s LEU 162 CO 0.42 -0.31 -0.06 -0.55 0.23 0.00 0.00 176.35 176.09 3ihk s SER 163 N -4.10 0.84 -0.11 2.29 0.15 -1.11 -4.81 113.70 106.86 3ihk s SER 163 Ca 0.41 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.90 3ihk s SER 163 Cb -0.09 -0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.04 3ihk s SER 163 CO 0.30 0.03 0.18 -0.63 1.20 0.00 0.00 173.24 174.31 3ihk s ILE 164 N 0.29 -0.28 0.13 6.45 1.01 -0.63 -2.61 121.20 125.55 3ihk s ILE 164 Ca -0.03 0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.95 3ihk s ILE 164 Cb -0.08 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 3ihk s ILE 164 CO -0.00 0.09 -0.13 -1.10 0.00 0.00 0.00 174.94 173.81 3ihk s GLN 165 N 2.31 1.02 -0.23 2.79 -0.21 0.82 -1.13 119.66 125.03 3ihk s GLN 165 Ca 0.03 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.12 3ihk s GLN 165 Cb -0.13 -0.79 0.00 0.00 1.00 0.00 0.00 33.01 33.09 3ihk s GLN 165 CO -0.07 0.14 0.00 -0.25 -2.12 0.00 0.00 175.29 172.99 3ihk n ASP 166 N 0.32 -3.43 -4.68 5.90 10.43 -1.26 -0.59 116.55 123.23 3ihk n ASP 166 Ca -0.14 0.05 -0.24 0.00 2.57 0.00 0.00 54.79 57.04 3ihk n ASP 166 Cb 0.58 -1.13 -0.07 0.00 1.84 0.00 0.00 41.12 42.34 3ihk n ASP 166 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ihk s ALA 167 N -2.03 3.36 0.22 2.24 0.00 -1.26 -4.40 121.76 119.89 3ihk s ALA 167 Ca 0.00 -1.90 -0.08 0.00 0.00 0.00 0.00 51.96 49.98 3ihk s ALA 167 Cb 0.00 -0.55 0.34 0.00 0.00 0.00 0.00 23.12 22.91 3ihk s ALA 167 CO 0.00 0.04 1.74 -0.22 0.00 0.00 0.00 175.76 177.32 3ihk h LYS 168 N 1.67 0.40 -5.12 0.00 3.64 -1.09 -3.37 116.57 112.69 3ihk h LYS 168 Ca -0.43 -0.02 -0.66 0.00 -1.27 0.00 0.00 60.65 58.26 3ihk h LYS 168 Cb 1.25 -0.09 -0.29 0.00 -0.41 0.00 0.00 32.23 32.70 3ihk h LYS 168 CO 0.65 0.26 -0.76 0.71 -2.27 0.00 0.00 179.45 178.04 3ihk s TYR 169 N -6.07 2.88 0.25 1.91 2.02 -1.26 -5.01 117.35 112.06 3ihk s TYR 169 Ca -0.13 -0.95 0.06 0.00 -0.37 0.00 0.00 57.07 55.68 3ihk s TYR 169 Cb 0.18 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 3ihk s TYR 169 CO 0.75 -0.47 0.29 -1.21 -1.57 0.00 0.00 175.55 173.34 3ihk s GLU 170 N 1.04 3.21 -0.37 -0.62 2.02 -1.26 -4.86 118.70 117.86 3ihk s GLU 170 Ca -0.00 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.10 3ihk s GLU 170 Cb -0.15 -2.74 0.12 0.00 0.10 0.00 0.00 34.13 31.46 3ihk s GLU 170 CO -0.02 0.42 0.18 -1.17 0.02 0.00 0.00 175.26 174.69 3ihk s LEU 171 N -3.92 2.19 0.39 1.80 2.96 -0.28 -4.94 118.68 116.88 3ihk s LEU 171 Ca 0.34 -2.15 0.05 0.00 -0.22 0.00 0.00 54.13 52.15 3ihk s LEU 171 Cb -0.08 -0.85 -0.00 0.00 0.50 0.00 0.00 46.19 45.75 3ihk s LEU 171 CO 0.27 -0.33 0.55 0.42 -1.32 0.00 0.00 176.35 175.94 3ihk s THR 172 N 0.99 3.76 -1.33 3.68 -4.23 -1.26 -1.61 115.64 115.64 3ihk s THR 172 Ca 0.15 -0.87 0.20 0.00 -1.18 0.00 0.00 61.69 59.99 3ihk s THR 172 Cb -0.21 -3.32 0.31 0.00 1.34 0.00 0.00 72.50 70.62 3ihk s THR 172 CO -0.10 -0.15 1.65 -1.84 -0.54 0.00 0.00 174.62 173.64 3ihk n GLU 173 N -1.83 0.22 0.00 3.99 0.00 -1.26 -1.32 120.64 120.45 3ihk n GLU 173 Ca 0.02 0.11 0.11 0.00 0.00 0.00 0.00 57.16 57.39 3ihk n GLU 173 Cb 0.58 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.44 3ihk n GLU 173 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ihk n GLU 174 N -1.34 0.18 -0.20 3.44 4.71 -1.26 -4.42 120.64 121.75 3ihk n GLU 174 Ca 0.09 -0.04 0.01 0.00 -0.01 0.00 0.00 57.16 57.21 3ihk n GLU 174 Cb 0.18 -1.52 0.02 0.00 -1.01 0.00 0.00 31.44 29.11 3ihk n GLU 174 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 3ihk n ASN 175 N -1.72 0.49 -4.62 1.62 6.94 -1.02 -5.11 115.26 111.82 3ihk n ASN 175 Ca 0.02 -1.74 -0.45 0.00 -0.02 0.00 0.00 54.58 52.39 3ihk n ASN 175 Cb 0.39 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.67 3ihk n ASN 175 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ihk n TYR 176 N -0.22 1.65 -3.94 -2.53 4.19 -0.43 -4.81 117.16 111.07 3ihk n TYR 176 Ca 0.02 0.61 -0.19 0.00 3.31 0.00 0.00 57.90 61.65 3ihk n TYR 176 Cb 0.57 -2.33 -0.17 0.00 0.49 0.00 0.00 39.34 37.90 3ihk n TYR 176 CO 0.00 0.00 0.00 -0.59 0.91 0.00 0.00 176.86 177.18 3ihk s PHE 177 N -0.67 0.46 0.28 2.98 -0.71 -1.26 -5.09 117.98 113.98 3ihk s PHE 177 Ca 0.63 -0.06 -0.30 0.00 -1.04 0.00 0.00 56.93 56.16 3ihk s PHE 177 Cb -0.70 -0.54 -0.11 0.00 -1.21 0.00 0.00 43.02 40.46 3ihk s PHE 177 CO 0.56 -0.18 1.61 -1.14 -1.34 0.00 0.00 175.22 174.73 3ihk s GLN 178 N 1.23 4.12 -0.30 1.99 0.74 -1.26 -5.00 119.66 121.18 3ihk s GLN 178 Ca -0.07 2.58 -0.21 0.00 0.05 0.00 0.00 55.36 57.72 3ihk s GLN 178 Cb -0.13 -3.03 0.19 0.00 1.10 0.00 0.00 33.01 31.14 3ihk s GLN 178 CO -0.02 -0.65 1.33 0.15 -0.55 0.00 0.00 175.29 175.55 3ihk s LYS 179 N -0.31 0.09 0.07 1.67 1.02 -1.26 -5.08 119.74 115.94 3ihk s LYS 179 Ca 0.65 0.13 -0.29 0.00 0.02 0.00 0.00 55.97 56.47 3ihk s LYS 179 Cb -0.48 0.03 -0.18 0.00 -0.52 0.00 0.00 37.83 36.69 3ihk s LYS 179 CO 0.46 -0.01 1.62 -0.22 -0.92 0.00 0.00 175.35 176.28 3ihk h LYS 180 N 4.16 -0.56 -5.25 1.68 1.63 -1.97 -3.43 116.57 112.83 3ihk h LYS 180 Ca -0.27 0.04 -0.66 0.00 -0.85 0.00 0.00 60.65 58.91 3ihk h LYS 180 Cb 1.18 0.13 -0.33 0.00 -0.60 0.00 0.00 32.23 32.61 3ihk h LYS 180 CO 0.20 -0.35 -0.87 -1.50 -3.45 0.00 0.00 179.45 173.47 3ihk s ILE 181 N -5.95 1.93 -0.51 2.00 2.07 -1.26 -3.96 121.20 115.52 3ihk s ILE 181 Ca -0.16 -0.95 -0.15 0.00 -1.41 0.00 0.00 60.65 57.98 3ihk s ILE 181 Cb 0.04 -1.68 0.11 0.00 0.13 0.00 0.00 42.46 41.06 3ihk s ILE 181 CO 0.62 0.53 0.45 -0.31 -1.91 0.00 0.00 174.94 174.33 3ihk s TYR 182 N 0.37 3.27 0.57 3.50 2.02 -0.61 -4.99 117.35 121.48 3ihk s TYR 182 Ca -0.18 -1.27 0.08 0.00 -0.37 0.00 0.00 57.07 55.33 3ihk s TYR 182 Cb -0.18 -3.58 0.08 0.00 -0.40 0.00 0.00 41.96 37.88 3ihk s TYR 182 CO 0.08 -0.96 0.68 -1.54 -1.57 0.00 0.00 175.55 172.25 3ihk s SER 183 N 3.20 4.93 -1.91 2.29 1.04 -1.26 -2.35 113.70 119.64 3ihk s SER 183 Ca 0.04 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.47 3ihk s SER 183 Cb -0.28 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3ihk s SER 183 CO 0.03 -1.31 0.00 -1.20 0.98 0.00 0.00 173.24 171.75 3ihk n SER 184 N -2.12 -5.64 -4.90 7.02 7.64 -1.26 -4.95 113.62 109.42 3ihk n SER 184 Ca 0.11 0.20 -0.28 0.00 1.01 0.00 0.00 58.87 59.91 3ihk n SER 184 Cb 0.63 -4.81 0.02 0.00 -1.01 0.00 0.00 64.21 59.04 3ihk n SER 184 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3ihk s ASN 185 N -2.32 5.90 0.06 6.43 3.84 -0.46 -4.82 114.94 123.56 3ihk s ASN 185 Ca 0.00 0.96 -0.00 0.00 0.21 0.00 0.00 52.86 54.03 3ihk s ASN 185 Cb 0.00 -2.05 -0.04 0.00 -0.55 0.00 0.00 41.25 38.62 3ihk s ASN 185 CO 0.00 -0.91 -0.04 -1.61 -2.79 0.00 0.00 177.10 171.75 3ihk s GLU 186 N -4.99 0.62 0.85 0.43 2.02 -1.26 -0.57 118.70 115.80 3ihk s GLU 186 Ca 0.53 -1.17 -0.09 0.00 0.02 0.00 0.00 54.97 54.26 3ihk s GLU 186 Cb -0.11 0.10 0.16 0.00 0.10 0.00 0.00 34.13 34.39 3ihk s GLU 186 CO 0.48 -0.08 1.17 -0.06 0.02 0.00 0.00 175.26 176.79 3ihk s PHE 187 N -3.53 1.61 -0.49 1.61 0.08 -1.26 -0.59 117.98 115.41 3ihk s PHE 187 Ca 0.05 0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.22 3ihk s PHE 187 Cb 0.05 -3.60 0.25 0.00 -0.57 0.00 0.00 43.02 39.15 3ihk s PHE 187 CO -0.08 -2.21 0.90 0.36 -0.10 0.00 0.00 175.22 174.10 3ihk n LYS 188 N -3.34 0.80 -2.85 0.44 2.85 -1.26 -4.58 118.16 110.22 3ihk n LYS 188 Ca 0.15 -1.77 -0.22 0.00 -1.05 0.00 0.00 58.31 55.42 3ihk n LYS 188 Cb 0.60 -1.43 0.02 0.00 -0.65 0.00 0.00 35.03 33.57 3ihk n LYS 188 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3ihk n ASP 189 N 1.54 -6.08 -3.61 -5.58 9.92 -1.26 -4.97 116.55 106.51 3ihk n ASP 189 Ca 0.09 -0.21 -0.07 0.00 -0.53 0.00 0.00 54.79 54.06 3ihk n ASP 189 Cb 0.63 -4.96 -0.05 0.00 -0.64 0.00 0.00 41.12 36.11 3ihk n ASP 189 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3ihk s LYS 190 N -5.52 0.39 0.44 -1.24 -2.85 -1.26 -5.16 119.74 104.54 3ihk s LYS 190 Ca 0.22 0.13 -0.26 0.00 -1.00 0.00 0.00 55.97 55.07 3ihk s LYS 190 Cb -0.10 0.19 -0.09 0.00 -2.06 0.00 0.00 37.83 35.77 3ihk s LYS 190 CO 0.27 -0.11 1.44 -2.14 0.10 0.00 0.00 175.35 174.90 3ihk s PRO 191 N -0.92 3.74 -0.16 1.78 0.02 -1.26 -4.91 135.00 133.30 3ihk s PRO 191 Ca 0.02 2.45 -0.17 0.00 0.02 0.00 0.00 61.00 63.32 3ihk s PRO 191 Cb -0.01 -2.70 -0.04 0.00 0.02 0.00 0.00 34.50 31.77 3ihk s PRO 191 CO -0.03 -0.78 0.44 0.42 -0.33 0.00 0.00 177.00 176.72 3ihk s ILE 192 N -1.19 5.19 -0.18 2.83 1.01 -0.67 -4.73 121.20 123.46 3ihk s ILE 192 Ca 0.60 0.85 -0.12 0.00 0.00 0.00 0.00 60.65 61.98 3ihk s ILE 192 Cb -0.44 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 3ihk s ILE 192 CO 0.57 0.29 0.21 0.00 0.00 0.00 0.00 174.94 176.02 3ihk s PHE 194 N 0.39 0.10 0.18 0.00 -0.71 -0.95 -0.12 117.98 116.87 3ihk s PHE 194 Ca 0.12 -0.31 -0.16 0.00 -1.04 0.00 0.00 56.93 55.55 3ihk s PHE 194 Cb -0.12 -0.08 0.02 0.00 -1.21 0.00 0.00 43.02 41.63 3ihk s PHE 194 CO 0.01 -0.36 0.46 -1.54 -1.34 0.00 0.00 175.22 172.45 3ihk s SER 195 N -1.87 -0.19 -0.17 1.98 1.04 -1.07 -1.65 113.70 111.76 3ihk s SER 195 Ca -0.08 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 55.70 3ihk s SER 195 Cb -0.03 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.68 3ihk s SER 195 CO -0.02 -1.00 0.42 0.54 0.98 0.00 0.00 173.24 174.16 3ihk s VAL 196 N -3.89 -0.02 0.20 5.02 0.11 -0.86 -2.76 120.40 118.20 3ihk s VAL 196 Ca 0.10 0.08 -0.12 0.00 -2.93 0.00 0.00 61.98 59.11 3ihk s VAL 196 Cb 0.00 -0.62 0.16 0.00 -1.53 0.00 0.00 36.38 34.39 3ihk s VAL 196 CO -0.03 0.03 1.68 0.00 -3.33 0.00 0.00 175.10 173.45 3ihk h ALA 197 N 6.96 0.56 -3.77 1.54 0.00 -1.88 -0.86 119.26 121.81 3ihk h ALA 197 Ca -0.36 0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 3ihk h ALA 197 Cb 1.18 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 3ihk h ALA 197 CO 0.29 -0.37 -0.19 -1.13 0.00 0.00 0.00 179.25 177.84 3ihk n SER 198 N -5.23 -0.48 0.00 0.00 3.41 -1.26 -4.63 113.62 105.43 3ihk n SER 198 Ca 0.07 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 3ihk n SER 198 Cb 0.31 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 3ihk n SER 198 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ihk n GLY 199 N -0.32 1.93 3.50 5.00 0.00 -1.26 -4.67 105.19 109.36 3ihk n GLY 199 Ca 0.03 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 3ihk n GLY 199 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ihk s TYR 200 N 0.00 -0.62 -0.02 1.61 -0.85 -1.26 -1.43 117.35 114.77 3ihk s TYR 200 Ca 0.00 0.99 -0.03 0.00 -0.52 0.00 0.00 57.07 57.51 3ihk s TYR 200 Cb 0.00 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 3ihk s TYR 200 CO 0.00 -0.63 0.18 0.08 -1.52 0.00 0.00 175.55 173.67 3ihk s VAL 201 N -1.51 5.44 -0.33 -3.49 1.01 0.13 -2.78 120.40 118.86 3ihk s VAL 201 Ca -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 3ihk s VAL 201 Cb -0.00 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.91 3ihk s VAL 201 CO 0.07 0.36 0.06 -0.69 0.00 0.00 0.00 175.10 174.90 3ihk s VAL 202 N -1.29 3.18 -0.11 2.92 1.01 -1.26 -0.53 120.40 124.32 3ihk s VAL 202 Ca 0.26 -1.50 -0.16 0.00 0.00 0.00 0.00 61.98 60.58 3ihk s VAL 202 Cb -0.13 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 3ihk s VAL 202 CO 0.17 -0.26 0.39 -0.69 0.00 0.00 0.00 175.10 174.71 3ihk s VAL 203 N 1.25 5.21 -0.31 2.92 1.01 -0.45 -4.41 120.40 125.62 3ihk s VAL 203 Ca -0.01 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.74 3ihk s VAL 203 Cb -0.20 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.55 3ihk s VAL 203 CO -0.01 0.40 0.05 -0.63 0.00 0.00 0.00 175.10 174.91 3ihk s ILE 204 N 0.23 1.57 0.01 2.22 1.09 -0.39 -0.62 121.20 125.32 3ihk s ILE 204 Ca 0.22 -1.76 -0.22 0.00 -1.10 0.00 0.00 60.65 57.79 3ihk s ILE 204 Cb -0.14 -2.11 -0.05 0.00 -1.06 0.00 0.00 42.46 39.09 3ihk s ILE 204 CO 0.08 -0.54 0.64 -1.10 -0.10 0.00 0.00 174.94 173.92 3ihk s GLN 205 N 1.28 4.36 0.18 2.79 -0.21 0.27 -2.04 119.66 126.29 3ihk s GLN 205 Ca 0.07 0.82 -0.05 0.00 0.02 0.00 0.00 55.36 56.23 3ihk s GLN 205 Cb -0.18 -3.34 -0.03 0.00 1.00 0.00 0.00 33.01 30.46 3ihk s GLN 205 CO -0.15 0.36 0.21 -0.08 -2.12 0.00 0.00 175.29 173.51 3ihk s THR 206 N -0.20 0.04 0.27 -0.19 -1.32 0.03 -0.29 115.64 113.97 3ihk s THR 206 Ca 0.33 -1.74 0.06 0.00 -1.21 0.00 0.00 61.69 59.13 3ihk s THR 206 Cb -0.19 -2.19 -0.02 0.00 -1.51 0.00 0.00 72.50 68.59 3ihk s THR 206 CO 0.19 -0.18 0.23 2.29 -2.21 0.00 0.00 174.62 174.94 3ihk n LYS 207 N -0.23 0.34 -0.81 7.08 2.85 -1.17 -0.29 118.16 125.92 3ihk n LYS 207 Ca -0.02 -2.64 0.00 0.00 -1.05 0.00 0.00 58.31 54.59 3ihk n LYS 207 Cb 0.64 2.19 0.00 0.00 -0.65 0.00 0.00 35.03 37.21 3ihk n LYS 207 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88