#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 0.83 0.05 -0.78 1.02 -1.26 -2.43 119.74 117.17 3ihk s LYS 3 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 54.88 3ihk s LYS 3 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 3ihk s LYS 3 CO 0.00 -0.94 0.19 0.08 -0.92 0.00 0.00 175.35 173.76 3ihk s VAL 4 N 1.55 5.26 -0.00 3.17 1.01 0.17 -0.10 120.40 131.46 3ihk s VAL 4 Ca 0.08 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.72 3ihk s VAL 4 Cb -0.17 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3ihk s VAL 4 CO -0.21 0.17 -0.23 0.00 0.00 0.00 0.00 175.10 174.83 3ihk s ALA 5 N -1.46 1.89 -0.13 5.51 0.00 0.13 -2.44 121.76 125.26 3ihk s ALA 5 Ca 0.33 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3ihk s ALA 5 Cb -0.13 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 3ihk s ALA 5 CO 0.26 0.46 -0.18 -1.17 0.00 0.00 0.00 175.76 175.13 3ihk s LEU 6 N -0.68 2.41 -0.38 0.00 2.96 -0.52 -1.11 118.68 121.36 3ihk s LEU 6 Ca 0.09 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3ihk s LEU 6 Cb -0.09 -1.52 0.11 0.00 0.50 0.00 0.00 46.19 45.18 3ihk s LEU 6 CO -0.00 0.13 0.13 -0.36 -1.32 0.00 0.00 176.35 174.93 3ihk s PHE 7 N 0.52 3.67 0.00 5.38 0.40 -0.41 0.48 117.98 128.02 3ihk s PHE 7 Ca -0.11 -2.74 0.00 0.00 -0.60 0.00 0.00 56.93 53.47 3ihk s PHE 7 Cb -0.16 -3.07 0.00 0.00 0.51 0.00 0.00 43.02 40.30 3ihk s PHE 7 CO 0.04 -0.96 0.00 -1.13 0.70 0.00 0.00 175.22 173.88 3ihk n SER 8 N 4.37 0.00 -2.09 1.36 3.41 -0.79 -0.40 113.62 119.48 3ihk n SER 8 Ca 0.01 -0.82 -0.23 0.00 -0.26 0.00 0.00 58.87 57.57 3ihk n SER 8 Cb 0.41 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.49 3ihk n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ihk n GLY 9 N 5.00 4.52 0.00 5.00 0.00 -1.26 -4.01 105.19 114.45 3ihk n GLY 9 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.77 1.01 3.00 -0.02 0.00 0.18 -5.01 105.19 103.58 3ihk n GLY 10 Ca 0.51 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.00 5.02 -1.13 1.61 1.01 -1.07 -4.98 116.67 116.13 3ihk s ASP 11 Ca 0.00 -3.38 -0.12 0.00 0.71 0.00 0.00 52.55 49.76 3ihk s ASP 11 Cb 0.00 -1.74 -0.07 0.00 1.01 0.00 0.00 42.92 42.12 3ihk s ASP 11 CO 0.00 -0.21 2.28 0.18 0.21 0.00 0.00 175.17 177.63 3ihk n LEU 12 N 2.69 5.92 0.07 1.23 4.77 -1.26 -4.48 117.00 125.94 3ihk n LEU 12 Ca 0.13 -3.43 -0.11 0.00 -0.03 0.00 0.00 56.01 52.58 3ihk n LEU 12 Cb 0.35 -1.29 -0.13 0.00 -2.33 0.00 0.00 43.42 40.02 3ihk n LEU 12 CO 0.32 0.80 0.02 0.74 -1.33 0.00 0.00 177.39 177.95 3ihk h THR 13 N 3.67 1.58 -4.08 -5.08 2.02 -2.00 -3.45 112.91 105.57 3ihk h THR 13 Ca 0.58 -3.23 -0.69 0.00 0.77 0.00 0.00 66.41 63.83 3ihk h THR 13 Cb 0.38 2.87 -0.24 0.00 -1.74 0.00 0.00 68.15 69.42 3ihk h THR 13 CO 1.71 0.92 -0.81 -0.47 0.37 0.00 0.00 175.52 177.25 3ihk s TYR 14 N -2.68 2.57 -0.05 3.16 6.14 -1.26 -5.04 117.35 120.18 3ihk s TYR 14 Ca -0.02 -0.25 -0.31 0.00 0.64 0.00 0.00 57.07 57.13 3ihk s TYR 14 Cb 0.09 -1.52 0.12 0.00 0.42 0.00 0.00 41.96 41.07 3ihk s TYR 14 CO 0.85 0.19 1.20 -0.59 0.64 0.00 0.00 175.55 177.84 3ihk s PHE 15 N -0.82 -0.10 0.35 4.97 -0.12 -1.26 -4.69 117.98 116.31 3ihk s PHE 15 Ca 0.13 -0.01 0.05 0.00 -0.05 0.00 0.00 56.93 57.05 3ihk s PHE 15 Cb -0.10 0.55 -0.07 0.00 -0.63 0.00 0.00 43.02 42.76 3ihk s PHE 15 CO 0.03 -0.33 0.04 0.99 -0.05 0.00 0.00 175.22 175.90 3ihk s THR 16 N -2.56 1.51 0.00 -4.49 2.01 -1.26 -5.07 115.64 105.78 3ihk s THR 16 Ca 0.12 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 60.11 3ihk s THR 16 Cb 0.02 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.68 3ihk s THR 16 CO -0.04 -0.01 0.45 -2.11 -0.69 0.00 0.00 174.62 172.22 3ihk n ARG 17 N -0.78 0.16 -1.63 4.92 1.85 -1.26 -4.89 116.66 115.03 3ihk n ARG 17 Ca -0.03 -0.55 -0.41 0.00 -1.00 0.00 0.00 57.85 55.86 3ihk n ARG 17 Cb 0.67 -0.79 -0.01 0.00 -1.05 0.00 0.00 32.46 31.27 3ihk n ARG 17 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3ihk n ASP 18 N -0.09 6.43 -4.08 2.89 4.64 -1.26 -4.88 116.55 120.20 3ihk n ASP 18 Ca 0.00 -2.78 -0.24 0.00 -1.38 0.00 0.00 54.79 50.39 3ihk n ASP 18 Cb 0.18 -1.57 -0.08 0.00 -1.04 0.00 0.00 41.12 38.60 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 2.12 1.77 -0.10 -0.67 0.40 -1.26 -5.06 117.98 115.19 3ihk s PHE 19 Ca 0.57 -1.30 0.09 0.00 -0.60 0.00 0.00 56.93 55.69 3ihk s PHE 19 Cb 0.16 -1.10 -0.13 0.00 0.51 0.00 0.00 43.02 42.45 3ihk s PHE 19 CO -0.07 -0.34 0.24 -0.25 0.70 0.00 0.00 175.22 175.50 3ihk n ASP 20 N -1.23 2.39 -3.68 1.36 8.00 0.86 -4.98 116.55 119.27 3ihk n ASP 20 Ca -0.04 -0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.19 3ihk n ASP 20 Cb 0.65 1.33 -0.12 0.00 -0.02 0.00 0.00 41.12 42.96 3ihk n ASP 20 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3ihk s TYR 21 N -2.47 -0.50 -0.21 1.24 6.14 -0.98 -4.98 117.35 115.58 3ihk s TYR 21 Ca -0.02 1.09 -0.03 0.00 0.64 0.00 0.00 57.07 58.75 3ihk s TYR 21 Cb 0.06 0.10 -0.00 0.00 0.42 0.00 0.00 41.96 42.54 3ihk s TYR 21 CO 0.38 -0.35 -0.07 -0.06 0.64 0.00 0.00 175.55 176.09 3ihk s PHE 22 N 2.02 2.93 -0.14 4.97 0.40 -1.26 0.20 117.98 127.09 3ihk s PHE 22 Ca -0.04 -1.07 -0.03 0.00 -0.60 0.00 0.00 56.93 55.20 3ihk s PHE 22 Cb -0.11 -2.07 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 3ihk s PHE 22 CO -0.10 -0.60 -0.05 0.08 0.70 0.00 0.00 175.22 175.26 3ihk s VAL 23 N 1.45 3.81 -0.22 -0.44 1.01 -0.27 -1.94 120.40 123.80 3ihk s VAL 23 Ca 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3ihk s VAL 23 Cb -0.14 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3ihk s VAL 23 CO -0.05 0.51 -0.11 -0.83 0.00 0.00 0.00 175.10 174.62 3ihk s GLY 24 N 0.19 1.54 -0.25 4.51 0.00 0.10 -1.29 107.32 112.12 3ihk s GLY 24 Ca -0.03 -1.30 -0.21 0.00 0.00 0.00 0.00 44.72 43.18 3ihk s GLY 24 CO 0.03 0.41 0.67 -0.42 0.00 0.00 0.00 173.10 173.79 3ihk s ILE 25 N 1.35 4.95 0.00 0.90 1.09 0.47 -2.32 121.20 127.64 3ihk s ILE 25 Ca 0.03 1.21 0.00 0.00 -1.10 0.00 0.00 60.65 60.79 3ihk s ILE 25 Cb -0.15 -3.97 0.00 0.00 -1.06 0.00 0.00 42.46 37.28 3ihk s ILE 25 CO -0.07 0.00 0.00 0.47 -0.10 0.00 0.00 174.94 175.24 3ihk n ASP 26 N 5.78 0.00 0.07 3.58 9.92 -0.87 -0.98 116.55 134.05 3ihk n ASP 26 Ca 0.01 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.40 3ihk n ASP 26 Cb 0.49 0.00 0.62 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 0.11 -0.16 -1.24 1.57 -1.90 -1.25 116.57 113.70 3ihk h LYS 27 Ca 0.00 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3ihk h LYS 27 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3ihk h LYS 27 CO 0.00 0.08 0.36 0.78 -0.57 0.00 0.00 179.45 180.10 3ihk h GLY 28 N 0.12 0.00 0.96 3.86 0.00 -1.19 0.61 103.07 107.43 3ihk h GLY 28 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 3ihk h GLY 28 CO -0.02 0.00 0.05 1.76 0.00 0.00 0.00 176.54 178.33 3ihk h SER 29 N 0.00 0.73 0.24 0.19 0.02 -1.38 -1.26 113.55 112.09 3ihk h SER 29 Ca 0.07 -0.28 -0.14 0.00 -0.84 0.00 0.00 61.79 60.61 3ihk h SER 29 Cb 0.80 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3ihk h SER 29 CO -0.00 0.82 -0.54 0.28 -1.14 0.00 0.00 176.83 176.25 3ihk h SER 30 N 0.61 0.36 -0.09 3.07 0.02 -1.06 -2.54 113.55 113.91 3ihk h SER 30 Ca 0.13 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 3ihk h SER 30 Cb 0.42 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3ihk h SER 30 CO 0.01 0.83 -0.23 0.15 -1.14 0.00 0.00 176.83 176.46 3ihk h PHE 31 N 0.25 0.57 -0.04 3.45 3.57 -1.26 0.93 116.94 124.41 3ihk h PHE 31 Ca 0.00 -0.12 -0.12 0.00 3.53 0.00 0.00 57.97 61.27 3ihk h PHE 31 Cb 1.03 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3ihk h PHE 31 CO 0.03 0.71 -0.53 1.25 -2.23 0.00 0.00 178.31 177.53 3ihk h LEU 32 N 0.46 0.13 0.02 0.59 5.85 -1.02 -2.65 115.31 118.70 3ihk h LEU 32 Ca 0.07 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ihk h LEU 32 Cb 0.65 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3ihk h LEU 32 CO 0.05 0.64 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.71 3ihk h LEU 33 N 0.10 -0.03 -1.37 2.25 3.38 -1.03 -0.75 115.31 117.86 3ihk h LEU 33 Ca -0.00 -0.57 0.21 0.00 0.09 0.00 0.00 57.88 57.62 3ihk h LEU 33 Cb 0.97 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 3ihk h LEU 33 CO 0.08 0.73 0.62 0.11 0.09 0.00 0.00 178.44 180.07 3ihk h LYS 34 N -0.97 0.47 -0.90 1.13 1.57 -0.88 0.48 116.57 117.47 3ihk h LYS 34 Ca -0.00 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 3ihk h LYS 34 Cb 0.59 -0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.68 3ihk h LYS 34 CO 0.01 0.31 0.25 0.09 -0.57 0.00 0.00 179.45 179.54 3ihk n ASN 35 N -4.59 3.66 -3.83 0.86 5.03 -1.00 -4.94 115.26 110.46 3ihk n ASN 35 Ca 0.22 -2.84 -0.28 0.00 0.87 0.00 0.00 54.58 52.55 3ihk n ASN 35 Cb 0.71 -0.68 0.00 0.00 -1.02 0.00 0.00 39.78 38.80 3ihk n ASN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ihk n GLN 36 N -0.17 -1.35 -4.09 3.52 6.02 0.17 -5.00 117.38 116.47 3ihk n GLN 36 Ca 0.30 0.66 -0.12 0.00 -0.01 0.00 0.00 57.00 57.83 3ihk n GLN 36 Cb 1.08 -2.33 -0.11 0.00 1.02 0.00 0.00 30.24 29.90 3ihk n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ihk s LEU 37 N -5.33 2.34 1.03 1.08 1.43 -0.29 -5.04 118.68 113.91 3ihk s LEU 37 Ca 0.07 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.33 3ihk s LEU 37 Cb -0.04 -0.11 0.13 0.00 0.03 0.00 0.00 46.19 46.20 3ihk s LEU 37 CO 0.91 -0.31 0.61 -2.65 0.23 0.00 0.00 176.35 175.14 3ihk n PRO 38 N 0.95 -1.08 -3.17 1.29 -0.02 -1.26 -4.41 135.00 127.30 3ihk n PRO 38 Ca -0.19 -0.28 -0.20 0.00 -2.02 0.00 0.00 63.50 60.81 3ihk n PRO 38 Cb 0.57 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 3ihk n PRO 38 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3ihk n LEU 39 N -2.84 0.42 0.16 2.45 7.94 -1.26 -4.76 117.00 119.11 3ihk n LEU 39 Ca 0.06 -4.82 0.09 0.00 -1.11 0.00 0.00 56.01 50.23 3ihk n LEU 39 Cb 0.55 0.70 0.48 0.00 0.53 0.00 0.00 43.42 45.69 3ihk n LEU 39 CO 0.52 2.20 0.81 0.47 -1.11 0.00 0.00 177.39 180.28 3ihk n ASP 40 N 0.72 0.46 -3.64 1.96 8.00 -0.82 -1.50 116.55 121.73 3ihk n ASP 40 Ca 0.23 0.67 -0.07 0.00 0.71 0.00 0.00 54.79 56.34 3ihk n ASP 40 Cb 0.61 -0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 40.95 3ihk n ASP 40 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ihk s LEU 41 N -4.31 -0.47 -0.07 0.64 2.96 -1.17 -3.56 118.68 112.70 3ihk s LEU 41 Ca -0.02 0.84 0.05 0.00 -0.22 0.00 0.00 54.13 54.79 3ihk s LEU 41 Cb 0.05 1.82 -0.01 0.00 0.50 0.00 0.00 46.19 48.56 3ihk s LEU 41 CO 0.16 -0.14 -0.24 0.00 -1.32 0.00 0.00 176.35 174.81 3ihk s ALA 42 N 0.65 2.11 0.04 5.97 0.00 0.02 -0.72 121.76 129.84 3ihk s ALA 42 Ca -0.01 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 3ihk s ALA 42 Cb -0.05 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.41 3ihk s ALA 42 CO -0.10 0.36 0.44 -1.50 0.00 0.00 0.00 175.76 174.96 3ihk s ILE 43 N 0.02 0.05 -1.74 0.00 2.07 -0.98 -0.42 121.20 120.21 3ihk s ILE 43 Ca -0.09 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.74 3ihk s ILE 43 Cb -0.15 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.49 3ihk s ILE 43 CO 0.05 -0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.47 3ihk n GLY 44 N 0.49 0.54 0.00 1.50 0.00 -1.22 -2.04 105.19 104.46 3ihk n GLY 44 Ca -0.18 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 43.78 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 1.04 0.48 -0.74 1.61 5.68 -1.26 -2.50 116.55 120.85 3ihk n ASP 45 Ca 0.00 -0.20 -0.06 0.00 -0.50 0.00 0.00 54.79 54.03 3ihk n ASP 45 Cb 0.00 0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 40.16 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 -1.52 -0.26 0.02 2.11 3.72 -1.26 -4.73 117.46 115.54 3ihk n PHE 46 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3ihk n PHE 46 Cb 0.34 -1.87 0.01 0.00 -0.94 0.00 0.00 39.48 37.02 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 0.25 0.00 0.02 4.37 5.68 -1.26 -1.00 116.55 124.61 3ihk n ASP 47 Ca -0.06 0.22 0.01 0.00 -0.50 0.00 0.00 54.79 54.46 3ihk n ASP 47 Cb 0.32 -0.23 -0.10 0.00 -1.14 0.00 0.00 41.12 39.97 3ihk n ASP 47 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3ihk n SER 48 N -1.23 0.66 -4.96 -1.12 7.64 -1.26 -4.97 113.62 108.38 3ihk n SER 48 Ca 0.00 0.29 -0.22 0.00 1.01 0.00 0.00 58.87 59.95 3ihk n SER 48 Cb 0.00 0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 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 -2.97 5.25 0.24 0.44 -7.23 -0.17 -4.90 120.40 111.08 3ihk s VAL 49 Ca -0.04 -0.90 -0.07 0.00 -1.81 0.00 0.00 61.98 59.16 3ihk s VAL 49 Cb 0.09 -3.84 -0.06 0.00 0.56 0.00 0.00 36.38 33.12 3ihk s VAL 49 CO 0.82 -0.32 0.53 -0.94 -0.31 0.00 0.00 175.10 174.89 3ihk s SER 50 N -3.88 6.54 0.43 4.85 1.04 -1.26 -4.90 113.70 116.51 3ihk s SER 50 Ca 0.35 0.80 0.11 0.00 0.48 0.00 0.00 55.95 57.69 3ihk s SER 50 Cb -0.09 -2.18 0.97 0.00 0.10 0.00 0.00 66.02 64.82 3ihk s SER 50 CO 0.29 -0.11 2.01 0.00 0.98 0.00 0.00 173.24 176.42 3ihk h ALA 51 N 2.23 1.90 0.02 5.32 0.00 -1.96 1.17 119.26 127.94 3ihk h ALA 51 Ca -0.47 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.44 3ihk h ALA 51 Cb 1.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3ihk h ALA 51 CO 0.68 0.01 -0.13 1.49 0.00 0.00 0.00 179.25 181.29 3ihk h GLU 52 N 0.45 -0.23 0.00 0.00 4.81 -2.01 -1.53 114.58 116.07 3ihk h GLU 52 Ca 0.23 0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.28 3ihk h GLU 52 Cb 0.31 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3ihk h GLU 52 CO -0.06 -0.15 -0.94 0.93 -0.73 0.00 0.00 179.01 178.06 3ihk h GLU 53 N -0.24 0.00 -0.95 1.92 5.08 -1.76 -3.26 114.58 115.36 3ihk h GLU 53 Ca 0.04 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3ihk h GLU 53 Cb 0.29 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 3ihk h GLU 53 CO -0.12 0.91 0.62 0.35 -1.00 0.00 0.00 179.01 179.78 3ihk h PHE 54 N 0.00 1.17 -0.50 4.33 3.57 0.16 -1.22 116.94 124.45 3ihk h PHE 54 Ca -0.01 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.59 3ihk h PHE 54 Cb 1.72 -0.39 -0.06 0.00 2.79 0.00 0.00 35.95 40.00 3ihk h PHE 54 CO 0.00 0.68 0.14 -0.22 -2.23 0.00 0.00 178.31 176.68 3ihk h LYS 55 N 1.21 0.28 -0.72 1.11 1.63 -1.33 -0.95 116.57 117.81 3ihk h LYS 55 Ca 0.38 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.24 3ihk h LYS 55 Cb -0.01 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.49 3ihk h LYS 55 CO -0.12 0.19 0.39 1.96 -3.45 0.00 0.00 179.45 178.42 3ihk h GLN 56 N 0.29 0.68 -0.12 1.90 1.08 -1.34 -2.14 115.11 115.46 3ihk h GLN 56 Ca 0.25 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.38 3ihk h GLN 56 Cb 0.30 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3ihk h GLN 56 CO -0.29 0.45 -0.02 0.82 -0.95 0.00 0.00 178.83 178.84 3ihk h ILE 57 N 0.70 1.29 -1.00 2.54 2.04 -1.05 -2.80 117.51 119.23 3ihk h ILE 57 Ca 0.33 -0.95 0.19 0.00 1.00 0.00 0.00 64.86 65.44 3ihk h ILE 57 Cb 0.27 1.67 -0.10 0.00 -0.74 0.00 0.00 36.82 37.92 3ihk h ILE 57 CO -0.22 0.27 0.61 0.11 0.00 0.00 0.00 178.15 178.93 3ihk h LYS 58 N -0.08 0.70 0.30 2.37 1.57 -0.79 0.19 116.57 120.82 3ihk h LYS 58 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3ihk h LYS 58 Cb 0.43 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3ihk h LYS 58 CO 0.01 0.46 -0.14 0.00 -0.57 0.00 0.00 179.45 179.21 3ihk h ALA 59 N 1.64 -0.52 0.00 3.86 0.00 -1.32 -3.36 119.26 119.56 3ihk h ALA 59 Ca 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3ihk h ALA 59 Cb 0.95 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ihk h ALA 59 CO -0.36 -0.49 0.00 1.63 0.00 0.00 0.00 179.25 180.03 3ihk n LYS 60 N -4.25 0.06 -2.11 0.00 4.01 -1.06 -4.77 118.16 110.02 3ihk n LYS 60 Ca -0.05 0.14 -0.43 0.00 -0.51 0.00 0.00 58.31 57.46 3ihk n LYS 60 Cb 0.16 -1.58 -0.03 0.00 -0.51 0.00 0.00 35.03 33.08 3ihk n LYS 60 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ihk s ALA 61 N -3.04 3.10 -1.52 7.82 0.00 0.05 -4.68 121.76 123.49 3ihk s ALA 61 Ca 0.11 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3ihk s ALA 61 Cb 0.15 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3ihk s ALA 61 CO 0.46 -2.24 0.39 1.63 0.00 0.00 0.00 175.76 175.99 3ihk n LYS 62 N 7.98 0.51 0.00 0.00 5.02 -0.56 -4.55 118.16 126.56 3ihk n LYS 62 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 3ihk n LYS 62 Cb 0.46 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 3ihk n LYS 62 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ihk n LYS 63 N -0.15 0.00 -4.34 1.97 4.81 -1.23 -4.83 118.16 114.40 3ihk n LYS 63 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 3ihk n LYS 63 Cb 0.06 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.00 3ihk n LYS 63 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3ihk s LEU 64 N 0.00 2.44 0.00 3.14 0.20 -1.26 -0.80 118.68 122.40 3ihk s LEU 64 Ca 0.00 -0.86 0.00 0.00 0.69 0.00 0.00 54.13 53.96 3ihk s LEU 64 Cb 0.00 -0.85 -0.00 0.00 -0.43 0.00 0.00 46.19 44.90 3ihk s LEU 64 CO 0.00 -0.02 0.09 0.52 -0.29 0.00 0.00 176.35 176.65 3ihk n VAL 65 N 0.29 0.00 -3.65 1.68 0.31 0.44 -4.90 118.33 112.50 3ihk n VAL 65 Ca -0.13 -0.45 -0.02 0.00 -0.01 0.00 0.00 64.34 63.73 3ihk n VAL 65 Cb 0.57 0.25 -0.07 0.00 -0.91 0.00 0.00 33.84 33.68 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 -2.02 -2.27 0.95 3.52 0.00 -1.04 -3.46 121.76 117.45 3ihk s ALA 67 Ca 0.07 1.72 -0.12 0.00 0.00 0.00 0.00 51.96 53.64 3ihk s ALA 67 Cb 0.00 -1.80 0.10 0.00 0.00 0.00 0.00 23.12 21.42 3ihk s ALA 67 CO 0.05 -0.13 0.73 -2.30 0.00 0.00 0.00 175.76 174.11 3ihk n PRO 68 N 1.79 -0.49 -0.03 0.00 -0.02 -1.26 -4.35 135.00 130.63 3ihk n PRO 68 Ca -0.11 -0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.14 3ihk n PRO 68 Cb 0.57 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.77 0.05 -2.78 3.55 0.00 -2.00 -3.44 119.26 112.87 3ihk h ALA 69 Ca -0.44 -0.33 -0.64 0.00 0.00 0.00 0.00 54.91 53.51 3ihk h ALA 69 Cb 1.28 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 3ihk h ALA 69 CO 0.38 -0.10 -0.39 -1.21 0.00 0.00 0.00 179.25 177.93 3ihk s GLU 70 N -3.84 3.76 -0.04 0.00 2.02 -1.26 -5.06 118.70 114.27 3ihk s GLU 70 Ca -0.16 0.04 -0.30 0.00 0.02 0.00 0.00 54.97 54.56 3ihk s GLU 70 Cb 0.02 -3.25 0.12 0.00 0.10 0.00 0.00 34.13 31.11 3ihk s GLU 70 CO 0.70 0.63 1.33 -1.59 0.02 0.00 0.00 175.26 176.35 3ihk s LYS 71 N -0.69 0.28 0.00 1.61 -2.85 -1.26 -5.02 119.74 111.80 3ihk s LYS 71 Ca 0.17 -0.17 0.15 0.00 -1.00 0.00 0.00 55.97 55.12 3ihk s LYS 71 Cb -0.13 0.09 0.33 0.00 -2.06 0.00 0.00 37.83 36.05 3ihk s LYS 71 CO 0.06 -0.13 1.24 0.09 0.10 0.00 0.00 175.35 176.70 3ihk n ASN 72 N -0.73 2.96 -4.35 0.03 5.03 -1.26 -4.98 115.26 111.96 3ihk n ASN 72 Ca -0.04 -1.88 -0.27 0.00 0.87 0.00 0.00 54.58 53.26 3ihk n ASN 72 Cb 0.61 -0.22 -0.13 0.00 -1.02 0.00 0.00 39.78 39.03 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 -1.10 3.04 0.34 6.41 1.11 -1.26 -5.12 116.67 120.08 3ihk s ASP 73 Ca 0.28 -0.71 -0.22 0.00 0.18 0.00 0.00 52.55 52.07 3ihk s ASP 73 Cb 0.16 -0.20 -0.10 0.00 1.07 0.00 0.00 42.92 43.85 3ihk s ASP 73 CO 0.21 0.15 0.89 -0.89 1.18 0.00 0.00 175.17 176.71 3ihk s THR 74 N -1.07 4.37 0.51 -1.27 2.01 -1.26 -4.86 115.64 114.07 3ihk s THR 74 Ca 0.11 1.55 0.27 0.00 0.31 0.00 0.00 61.69 63.93 3ihk s THR 74 Cb -0.10 -3.82 0.44 0.00 0.01 0.00 0.00 72.50 69.03 3ihk s THR 74 CO 0.05 -0.02 1.91 0.44 -0.69 0.00 0.00 174.62 176.31 3ihk h ASP 75 N 2.72 0.09 -0.30 3.53 3.32 -1.98 0.57 116.42 124.38 3ihk h ASP 75 Ca -0.48 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.42 3ihk h ASP 75 Cb 1.19 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 3ihk h ASP 75 CO 0.64 0.04 -0.46 0.74 -1.72 0.00 0.00 179.24 178.47 3ihk h THR 76 N 0.09 1.28 -0.52 0.35 2.02 -1.95 -2.02 112.91 112.18 3ihk h THR 76 Ca 0.39 -1.65 -0.05 0.00 0.77 0.00 0.00 66.41 65.87 3ihk h THR 76 Cb 1.41 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 3ihk h THR 76 CO -0.04 0.54 0.10 -0.33 0.37 0.00 0.00 175.52 176.15 3ihk h GLU 77 N 0.63 0.80 -0.86 6.66 5.08 -0.39 -2.30 114.58 124.19 3ihk h GLU 77 Ca 0.03 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3ihk h GLU 77 Cb 1.07 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3ihk h GLU 77 CO 0.11 0.74 0.48 1.25 -1.00 0.00 0.00 179.01 180.59 3ihk h LEU 78 N 0.77 1.07 0.53 1.33 7.12 -0.37 -2.35 115.31 123.41 3ihk h LEU 78 Ca 0.17 -0.09 -0.03 0.00 0.13 0.00 0.00 57.88 58.06 3ihk h LEU 78 Cb 0.32 -0.27 0.01 0.00 -0.53 0.00 0.00 40.66 40.19 3ihk h LEU 78 CO 0.00 0.85 -0.25 0.00 -0.13 0.00 0.00 178.44 178.91 3ihk h ALA 79 N 1.26 -0.71 -0.88 1.25 0.00 -0.92 -1.40 119.26 117.86 3ihk h ALA 79 Ca 0.30 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.24 3ihk h ALA 79 Cb 0.01 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 17.95 3ihk h ALA 79 CO -0.05 -0.73 0.35 -0.07 0.00 0.00 0.00 179.25 178.75 3ihk h LEU 80 N -1.05 0.25 0.29 0.00 3.38 -1.37 0.58 115.31 117.39 3ihk h LEU 80 Ca -0.07 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ihk h LEU 80 Cb 0.62 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3ihk h LEU 80 CO 0.12 -0.03 -0.14 0.11 0.09 0.00 0.00 178.44 178.59 3ihk h LYS 81 N 0.35 -0.37 -0.65 1.13 1.57 -1.43 -1.31 116.57 115.86 3ihk h LYS 81 Ca 0.55 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.49 3ihk h LYS 81 Cb 1.05 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 33.33 3ihk h LYS 81 CO -0.55 -0.07 -0.08 1.15 -0.57 0.00 0.00 179.45 179.33 3ihk h THR 82 N -0.69 0.39 0.55 -0.16 2.02 -0.17 -0.17 112.91 114.69 3ihk h THR 82 Ca -0.04 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3ihk h THR 82 Cb 0.48 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3ihk h THR 82 CO 0.06 0.01 -0.27 0.40 0.37 0.00 0.00 175.52 176.10 3ihk h ILE 83 N 0.05 0.00 -1.29 3.11 2.04 -0.90 -3.01 117.51 117.51 3ihk h ILE 83 Ca 0.33 -0.14 0.37 0.00 1.00 0.00 0.00 64.86 66.43 3ihk h ILE 83 Cb 0.53 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 3ihk h ILE 83 CO -0.62 0.00 0.90 -0.26 0.00 0.00 0.00 178.15 178.17 3ihk h PHE 84 N -0.88 0.20 0.00 1.37 0.04 -0.98 -0.87 116.94 115.81 3ihk h PHE 84 Ca -0.08 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3ihk h PHE 84 Cb 0.57 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3ihk h PHE 84 CO 0.06 -0.01 0.00 -0.25 -0.60 0.00 0.00 178.31 177.50 3ihk n ASP 85 N -4.30 0.00 -4.12 2.17 9.92 -0.10 -0.91 116.55 119.21 3ihk n ASP 85 Ca 0.30 0.91 -0.44 0.00 -0.53 0.00 0.00 54.79 55.03 3ihk n ASP 85 Cb 1.31 -0.41 0.01 0.00 -0.64 0.00 0.00 41.12 41.38 3ihk n ASP 85 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ihk n PHE 87 N 1.86 0.00 -4.54 0.00 3.72 -0.95 -4.88 117.46 112.67 3ihk n PHE 87 Ca 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 3ihk n PHE 87 Cb 0.35 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.00 -0.51 3.57 1.37 0.00 -0.09 -4.38 105.19 105.14 3ihk n GLY 88 Ca 0.00 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.75 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 1.83 0.39 1.61 0.52 -1.26 -4.60 118.95 117.44 3ihk s ARG 89 Ca 0.00 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 3ihk s ARG 89 Cb 0.00 -4.96 0.03 0.00 0.52 0.00 0.00 34.95 30.54 3ihk s ARG 89 CO 0.00 -4.40 0.24 1.55 0.02 0.00 0.00 175.30 172.71 3ihk n VAL 90 N 8.51 0.00 -3.79 3.52 3.14 -1.26 -5.08 118.33 123.37 3ihk n VAL 90 Ca 0.44 -1.58 -0.35 0.00 -2.96 0.00 0.00 64.34 59.88 3ihk n VAL 90 Cb 0.45 -0.07 -0.09 0.00 -1.06 0.00 0.00 33.84 33.07 3ihk n VAL 90 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3ihk s GLU 91 N -3.55 4.07 -0.05 1.45 2.12 -1.02 -4.60 118.70 117.12 3ihk s GLU 91 Ca 0.18 -0.28 -0.00 0.00 0.36 0.00 0.00 54.97 55.23 3ihk s GLU 91 Cb -0.01 -3.39 0.03 0.00 0.26 0.00 0.00 34.13 31.01 3ihk s GLU 91 CO 0.12 0.21 -0.02 0.42 -0.54 0.00 0.00 175.26 175.44 3ihk s ILE 92 N 0.61 0.41 -0.26 -3.70 1.09 0.13 0.46 121.20 119.93 3ihk s ILE 92 Ca 0.06 0.01 -0.04 0.00 -1.10 0.00 0.00 60.65 59.58 3ihk s ILE 92 Cb -0.12 -0.50 0.01 0.00 -1.06 0.00 0.00 42.46 40.79 3ihk s ILE 92 CO 0.01 0.22 0.00 -0.63 -0.10 0.00 0.00 174.94 174.45 3ihk s ILE 93 N 1.36 3.44 -0.21 2.92 1.09 -1.02 -0.55 121.20 128.23 3ihk s ILE 93 Ca -0.04 -0.78 -0.15 0.00 -1.10 0.00 0.00 60.65 58.58 3ihk s ILE 93 Cb -0.13 -2.73 -0.04 0.00 -1.06 0.00 0.00 42.46 38.50 3ihk s ILE 93 CO -0.02 0.19 0.36 -0.69 -0.10 0.00 0.00 174.94 174.67 3ihk s VAL 94 N 1.43 5.22 0.23 2.92 1.01 0.52 -1.44 120.40 130.30 3ihk s VAL 94 Ca 0.02 0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.68 3ihk s VAL 94 Cb -0.16 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3ihk s VAL 94 CO -0.01 0.26 0.21 -0.36 0.00 0.00 0.00 175.10 175.20 3ihk s PHE 95 N 1.29 3.17 -1.76 5.22 0.08 0.18 -1.55 117.98 124.61 3ihk s PHE 95 Ca 0.17 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.14 3ihk s PHE 95 Cb -0.15 -1.45 0.00 0.00 -0.57 0.00 0.00 43.02 40.86 3ihk s PHE 95 CO 0.07 0.51 0.00 0.41 -0.10 0.00 0.00 175.22 176.11 3ihk n GLY 96 N -1.04 0.73 0.04 4.36 0.00 -1.26 -1.89 105.19 106.13 3ihk n GLY 96 Ca -0.08 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.23 2.27 -2.75 4.61 0.00 -1.26 -0.64 120.51 122.51 3ihk n ALA 97 Ca -0.20 -0.06 -0.33 0.00 0.00 0.00 0.00 53.44 52.85 3ihk n ALA 97 Cb 0.63 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 3ihk n ALA 97 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ihk s PHE 98 N -3.05 1.88 0.00 0.00 0.08 -1.26 -4.81 117.98 110.82 3ihk s PHE 98 Ca 0.12 -0.96 0.00 0.00 0.12 0.00 0.00 56.93 56.21 3ihk s PHE 98 Cb 0.16 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.01 3ihk s PHE 98 CO 0.54 0.21 0.00 0.41 -0.10 0.00 0.00 175.22 176.28 3ihk n GLY 99 N -1.24 -1.49 0.12 4.36 0.00 -1.26 -2.61 105.19 103.07 3ihk n GLY 99 Ca -0.18 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 0.79 0.93 3.58 -0.02 0.00 -1.26 -4.54 105.19 104.68 3ihk n GLY 100 Ca 0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 3.76 0.45 1.61 0.52 -1.26 -4.94 118.95 119.08 3ihk s ARG 101 Ca 0.00 0.20 0.18 0.00 -0.52 0.00 0.00 55.73 55.59 3ihk s ARG 101 Cb 0.00 -3.79 1.13 0.00 0.52 0.00 0.00 34.95 32.82 3ihk s ARG 101 CO 0.00 -0.73 1.94 0.82 0.02 0.00 0.00 175.30 177.35 3ihk h ILE 102 N 5.66 0.78 -0.20 1.52 1.08 -2.02 -0.38 117.51 123.95 3ihk h ILE 102 Ca -0.26 -0.11 -0.15 0.00 -0.39 0.00 0.00 64.86 63.95 3ihk h ILE 102 Cb 1.11 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 3ihk h ILE 102 CO 0.85 0.06 -0.49 -2.24 -0.69 0.00 0.00 178.15 175.64 3ihk h ASP 103 N 0.32 0.58 0.00 1.72 -0.00 -2.01 -0.92 116.42 116.11 3ihk h ASP 103 Ca 0.35 -0.29 0.00 0.00 -0.00 0.00 0.00 57.03 57.08 3ihk h ASP 103 Cb 0.90 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 40.06 3ihk h ASP 103 CO -0.09 0.98 0.00 1.41 -0.00 0.00 0.00 179.24 181.54 3ihk n HIS 104 N -3.98 0.00 0.00 4.15 8.25 -0.16 -1.97 115.22 121.51 3ihk n HIS 104 Ca -0.03 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3ihk n HIS 104 Cb 0.57 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 0.58 0.00 -0.33 2.41 4.77 -0.35 -3.15 117.00 120.92 3ihk n LEU 106 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3ihk n LEU 106 Cb 0.20 0.00 0.27 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 0.70 0.75 -1.43 0.87 -1.65 -0.45 113.55 112.34 3ihk h SER 107 Ca 0.00 0.09 -0.23 0.00 -1.23 0.00 0.00 61.79 60.42 3ihk h SER 107 Cb 0.00 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3ihk h SER 107 CO 0.00 0.28 -1.06 0.78 -0.53 0.00 0.00 176.83 176.30 3ihk h ASN 108 N 0.74 0.23 -0.12 6.23 4.21 -1.84 -2.80 115.58 122.23 3ihk h ASN 108 Ca 0.52 -0.23 -0.02 0.00 1.21 0.00 0.00 56.30 57.78 3ihk h ASN 108 Cb 0.75 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 3ihk h ASN 108 CO -0.36 1.14 0.02 0.40 -1.29 0.00 0.00 177.43 177.34 3ihk h ILE 109 N 0.06 1.11 -0.19 2.81 1.08 -1.44 -2.98 117.51 117.96 3ihk h ILE 109 Ca -0.07 -0.42 -0.11 0.00 -0.39 0.00 0.00 64.86 63.87 3ihk h ILE 109 Cb 1.78 0.94 -0.07 0.00 -3.07 0.00 0.00 36.82 36.40 3ihk h ILE 109 CO 0.16 0.14 -0.36 0.49 -0.69 0.00 0.00 178.15 177.90 3ihk n PHE 110 N -4.40 0.61 -0.29 1.37 3.72 -0.51 -4.80 117.46 113.16 3ihk n PHE 110 Ca -0.00 -1.61 0.09 0.00 -0.05 0.00 0.00 57.45 55.88 3ihk n PHE 110 Cb 0.16 -0.36 0.25 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.09 0.37 -1.25 4.37 3.38 -1.33 0.10 115.31 122.04 3ihk h LEU 111 Ca 0.11 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3ihk h LEU 111 Cb 1.28 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3ihk h LEU 111 CO 0.21 0.09 0.06 -2.65 0.09 0.00 0.00 178.44 176.24 3ihk n PRO 112 N -4.98 0.12 0.27 1.13 -0.02 -1.26 -1.51 135.00 128.74 3ihk n PRO 112 Ca 0.18 0.62 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 3ihk n PRO 112 Cb 0.52 -1.96 0.77 0.00 -0.02 0.00 0.00 33.50 32.81 3ihk n PRO 112 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ihk h SER 113 N 0.00 0.00 -3.01 2.55 0.87 -1.18 -3.23 113.55 109.55 3ihk h SER 113 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 3ihk h SER 113 Cb 0.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3ihk h SER 113 CO 0.00 0.09 0.77 -0.62 -0.53 0.00 0.00 176.83 176.54 3ihk s ASP 114 N -5.95 6.98 0.26 6.23 -1.08 -0.57 -4.93 116.67 117.62 3ihk s ASP 114 Ca -0.02 1.88 -0.10 0.00 -0.52 0.00 0.00 52.55 53.79 3ihk s ASP 114 Cb 0.12 -2.56 0.40 0.00 -1.46 0.00 0.00 42.92 39.43 3ihk s ASP 114 CO 0.56 -0.65 1.57 -0.65 0.52 0.00 0.00 175.17 176.52 3ihk h PRO 115 N 7.68 -0.00 -0.72 4.34 0.11 -1.89 -0.22 132.00 141.30 3ihk h PRO 115 Ca -0.34 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 3ihk h PRO 115 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3ihk h PRO 115 CO 0.90 -0.00 0.27 -0.44 -0.21 0.00 0.00 178.00 178.52 3ihk h ASP 116 N -0.00 0.99 0.60 -2.05 3.32 -1.92 -3.13 116.42 114.23 3ihk h ASP 116 Ca 0.44 -0.15 -0.22 0.00 0.02 0.00 0.00 57.03 57.12 3ihk h ASP 116 Cb 0.68 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3ihk h ASP 116 CO -0.97 0.89 -0.98 -0.07 -1.72 0.00 0.00 179.24 176.39 3ihk h LEU 117 N 1.05 0.31 -0.96 1.55 -0.00 -1.39 -3.37 115.31 112.50 3ihk h LEU 117 Ca 0.24 -0.27 0.18 0.00 -0.00 0.00 0.00 57.88 58.03 3ihk h LEU 117 Cb 0.22 -0.10 -0.18 0.00 -0.00 0.00 0.00 40.66 40.61 3ihk h LEU 117 CO -0.02 1.12 -0.28 0.00 -0.00 0.00 0.00 178.44 179.26 3ihk h ALA 118 N 0.86 0.50 -0.02 1.53 0.00 -1.16 0.55 119.26 121.52 3ihk h ALA 118 Ca -0.07 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ihk h ALA 118 Cb 1.65 0.80 -0.00 0.00 0.00 0.00 0.00 17.79 20.24 3ihk h ALA 118 CO 0.15 -0.45 0.10 -1.35 0.00 0.00 0.00 179.25 177.70 3ihk h PRO 119 N -0.01 0.00 -4.60 0.00 0.11 -1.72 -3.43 132.00 122.35 3ihk h PRO 119 Ca 0.43 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.86 3ihk h PRO 119 Cb 0.67 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.42 3ihk h PRO 119 CO -0.98 0.00 -0.64 -0.06 -0.21 0.00 0.00 178.00 176.11 3ihk s PHE 120 N -4.22 3.64 0.00 0.65 0.40 0.19 -4.94 117.98 113.70 3ihk s PHE 120 Ca -0.05 -2.63 0.00 0.00 -0.60 0.00 0.00 56.93 53.65 3ihk s PHE 120 Cb 0.12 -3.01 0.00 0.00 0.51 0.00 0.00 43.02 40.65 3ihk s PHE 120 CO 0.40 -0.95 0.00 0.54 0.70 0.00 0.00 175.22 175.91 3ihk n ARG 122 N 4.45 0.00 0.07 0.44 5.12 -1.26 -3.47 116.66 122.00 3ihk n ARG 122 Ca -0.01 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.99 3ihk n ARG 122 Cb 0.42 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.68 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 -3.20 2.25 0.16 0.00 -0.12 -1.23 -0.69 117.98 115.15 3ihk s PHE 124 Ca -0.02 -0.48 0.10 0.00 -0.05 0.00 0.00 56.93 56.47 3ihk s PHE 124 Cb 0.09 -1.46 -0.04 0.00 -0.63 0.00 0.00 43.02 40.99 3ihk s PHE 124 CO 0.81 -0.08 -0.21 0.15 -0.05 0.00 0.00 175.22 175.83 3ihk s LYS 125 N -0.48 1.33 -0.20 1.99 1.02 0.28 -4.55 119.74 119.14 3ihk s LYS 125 Ca 0.06 -1.39 -0.06 0.00 0.02 0.00 0.00 55.97 54.61 3ihk s LYS 125 Cb -0.10 -1.56 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 3ihk s LYS 125 CO 0.00 0.34 0.02 -0.51 -0.92 0.00 0.00 175.35 174.28 3ihk s LEU 126 N -2.46 3.40 0.16 3.17 2.01 -0.65 -0.35 118.68 123.97 3ihk s LEU 126 Ca 0.15 -0.13 0.04 0.00 0.01 0.00 0.00 54.13 54.20 3ihk s LEU 126 Cb -0.08 -1.86 -0.05 0.00 0.01 0.00 0.00 46.19 44.21 3ihk s LEU 126 CO 0.07 0.09 -0.07 -0.60 1.01 0.00 0.00 176.35 176.85 3ihk s ARG 127 N 0.85 1.10 0.03 1.70 6.06 -0.59 0.52 118.95 128.62 3ihk s ARG 127 Ca 0.02 -1.50 -0.11 0.00 -2.50 0.00 0.00 55.73 51.64 3ihk s ARG 127 Cb -0.14 -0.56 0.04 0.00 0.06 0.00 0.00 34.95 34.35 3ihk s ARG 127 CO 0.02 0.01 0.49 -0.40 -2.50 0.00 0.00 175.30 172.93 3ihk n ASP 128 N -0.23 -0.60 -0.40 -2.12 5.75 -1.11 -4.22 116.55 113.62 3ihk n ASP 128 Ca -0.09 -1.22 -0.09 0.00 -0.01 0.00 0.00 54.79 53.37 3ihk n ASP 128 Cb 0.61 0.95 -0.08 0.00 -1.03 0.00 0.00 41.12 41.57 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 -0.35 -0.40 -1.66 0.11 4.07 -1.26 -3.27 120.64 117.87 3ihk n GLU 129 Ca 0.01 1.44 -0.04 0.00 -0.06 0.00 0.00 57.16 58.51 3ihk n GLU 129 Cb 0.24 -2.12 0.08 0.00 -0.06 0.00 0.00 31.44 29.59 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 -5.21 1.81 -3.89 5.31 10.64 -1.26 -5.05 117.38 119.73 3ihk n GLN 130 Ca 0.03 -3.29 -0.09 0.00 -1.83 0.00 0.00 57.00 51.82 3ihk n GLN 130 Cb 0.26 -1.43 -0.08 0.00 -0.86 0.00 0.00 30.24 28.13 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 -3.18 0.16 -0.20 2.61 -0.87 -1.20 -2.68 114.94 109.58 3ihk s ASN 131 Ca 0.38 -0.65 -0.06 0.00 -1.57 0.00 0.00 52.86 50.97 3ihk s ASN 131 Cb 0.37 0.31 0.09 0.00 -0.02 0.00 0.00 41.25 42.01 3ihk s ASN 131 CO -0.06 -0.67 0.39 -0.22 -2.57 0.00 0.00 177.10 173.97 3ihk s LEU 132 N -2.71 -0.60 -0.20 0.60 1.98 0.14 -2.76 118.68 115.13 3ihk s LEU 132 Ca 0.03 0.83 -0.03 0.00 -2.89 0.00 0.00 54.13 52.08 3ihk s LEU 132 Cb 0.04 1.23 -0.01 0.00 0.66 0.00 0.00 46.19 48.12 3ihk s LEU 132 CO -0.09 -0.24 -0.07 -0.69 -1.89 0.00 0.00 176.35 173.37 3ihk s VAL 133 N 2.58 3.25 0.10 1.68 1.01 0.18 -0.23 120.40 128.98 3ihk s VAL 133 Ca 0.01 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.54 3ihk s VAL 133 Cb -0.12 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3ihk s VAL 133 CO -0.13 0.45 -0.26 -1.61 0.00 0.00 0.00 175.10 173.56 3ihk s GLU 134 N 1.22 1.46 -0.10 2.72 2.02 0.12 -1.63 118.70 124.52 3ihk s GLU 134 Ca 0.03 -1.25 0.04 0.00 0.02 0.00 0.00 54.97 53.80 3ihk s GLU 134 Cb -0.14 -1.84 -0.00 0.00 0.10 0.00 0.00 34.13 32.24 3ihk s GLU 134 CO -0.02 0.45 -0.24 -0.06 0.02 0.00 0.00 175.26 175.41 3ihk s PHE 135 N -1.00 2.56 -0.03 1.61 0.08 -1.26 0.24 117.98 120.19 3ihk s PHE 135 Ca 0.12 -1.01 0.05 0.00 0.12 0.00 0.00 56.93 56.21 3ihk s PHE 135 Cb -0.10 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 3ihk s PHE 135 CO 0.05 -0.40 -0.17 -0.06 -0.10 0.00 0.00 175.22 174.54 3ihk s PHE 136 N 0.31 1.64 1.25 0.36 0.40 -0.85 -4.09 117.98 117.00 3ihk s PHE 136 Ca -0.18 -0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 55.55 3ihk s PHE 136 Cb -0.18 -1.08 0.31 0.00 0.51 0.00 0.00 43.02 42.58 3ihk s PHE 136 CO 0.08 -0.10 1.08 -2.30 0.70 0.00 0.00 175.22 174.69 3ihk n PRO 137 N 2.90 -3.30 -0.81 0.24 -0.02 -1.26 -0.29 135.00 132.46 3ihk n PRO 137 Ca -0.16 -1.73 -0.29 0.00 -2.02 0.00 0.00 63.50 59.29 3ihk n PRO 137 Cb 0.53 -1.66 0.19 0.00 -0.02 0.00 0.00 33.50 32.54 3ihk n PRO 137 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ihk s ALA 138 N -2.95 0.67 0.00 3.55 0.00 -0.93 -4.58 121.76 117.52 3ihk s ALA 138 Ca 0.71 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3ihk s ALA 138 Cb -0.07 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3ihk s ALA 138 CO 0.55 -3.09 0.00 0.41 0.00 0.00 0.00 175.76 173.63 3ihk n GLY 139 N -0.03 0.42 3.77 0.00 0.00 0.25 -4.88 105.19 104.73 3ihk n GLY 139 Ca 0.06 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 3ihk n GLY 139 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ihk s GLN 140 N -1.01 4.49 0.34 1.61 -0.21 -1.26 -2.65 119.66 120.98 3ihk s GLN 140 Ca 0.00 1.48 -0.05 0.00 0.02 0.00 0.00 55.36 56.82 3ihk s GLN 140 Cb 0.00 -2.84 0.01 0.00 1.00 0.00 0.00 33.01 31.18 3ihk s GLN 140 CO 0.00 0.16 0.51 -1.01 -2.12 0.00 0.00 175.29 172.83 3ihk s HIS 141 N -1.51 0.92 -0.01 0.91 3.76 -0.02 -4.97 115.29 114.37 3ihk s HIS 141 Ca 0.51 -1.21 -0.10 0.00 -0.15 0.00 0.00 55.06 54.11 3ihk s HIS 141 Cb -0.23 0.03 0.01 0.00 1.11 0.00 0.00 32.58 33.51 3ihk s HIS 141 CO 0.29 -1.17 0.20 -0.65 -0.85 0.00 0.00 174.74 172.55 3ihk s GLN 142 N -3.04 0.51 -0.06 1.40 -0.21 -1.26 -2.28 119.66 114.72 3ihk s GLN 142 Ca 0.28 -0.24 -0.04 0.00 0.02 0.00 0.00 55.36 55.38 3ihk s GLN 142 Cb -0.01 0.22 0.02 0.00 1.00 0.00 0.00 33.01 34.24 3ihk s GLN 142 CO 0.19 -0.12 0.15 -1.50 -2.12 0.00 0.00 175.29 171.88 3ihk s ILE 143 N -1.16 -0.01 -0.02 1.08 2.07 -0.48 -4.94 121.20 117.73 3ihk s ILE 143 Ca -0.12 0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.10 3ihk s ILE 143 Cb -0.06 -0.22 -0.05 0.00 0.13 0.00 0.00 42.46 42.26 3ihk s ILE 143 CO 0.02 0.02 0.25 -1.61 -1.91 0.00 0.00 174.94 171.72 3ihk s GLU 144 N 0.42 3.58 0.15 3.50 2.02 -1.26 -1.73 118.70 125.38 3ihk s GLU 144 Ca -0.03 -0.04 -0.31 0.00 0.02 0.00 0.00 54.97 54.60 3ihk s GLU 144 Cb -0.04 -3.12 -0.10 0.00 0.10 0.00 0.00 34.13 30.97 3ihk s GLU 144 CO -0.02 0.68 1.71 -1.14 0.02 0.00 0.00 175.26 176.51 3ihk s GLN 145 N -1.53 4.16 0.48 1.61 0.74 -1.26 -4.94 119.66 118.92 3ihk s GLN 145 Ca 0.24 2.50 -0.24 0.00 0.05 0.00 0.00 55.36 57.92 3ihk s GLN 145 Cb -0.13 -3.33 -0.08 0.00 1.10 0.00 0.00 33.01 30.57 3ihk s GLN 145 CO 0.13 -0.74 1.32 0.00 -0.55 0.00 0.00 175.29 175.45 3ihk n ALA 146 N 4.75 1.52 0.01 1.58 0.00 -1.26 -4.89 120.51 122.21 3ihk n ALA 146 Ca 0.16 0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.84 3ihk n ALA 146 Cb 0.38 -2.32 0.43 0.00 0.00 0.00 0.00 19.45 17.94 3ihk n ALA 146 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3ihk h THR 147 N 1.85 1.10 -0.69 0.00 1.35 -2.05 -3.44 112.91 111.03 3ihk h THR 147 Ca -0.50 -0.19 -0.39 0.00 -0.55 0.00 0.00 66.41 64.79 3ihk h THR 147 Cb 1.29 0.52 -0.21 0.00 -1.73 0.00 0.00 68.15 68.02 3ihk h THR 147 CO 0.59 0.10 0.49 -0.67 -0.25 0.00 0.00 175.52 175.78 3ihk n ASP 148 N -4.47 4.30 0.00 5.36 2.03 -1.26 -5.22 116.55 117.29 3ihk n ASP 148 Ca 0.03 -3.17 0.00 0.00 0.52 0.00 0.00 54.79 52.17 3ihk n ASP 148 Cb 0.06 -0.80 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 3ihk n ASP 148 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3ihk n VAL 150 N -0.54 0.00 -3.77 5.18 0.31 -1.17 -4.91 118.33 113.43 3ihk n VAL 150 Ca 0.42 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.54 3ihk n VAL 150 Cb 1.16 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 34.05 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 -1.00 2.83 -0.10 3.52 2.02 0.06 -4.58 117.35 120.09 3ihk s TYR 151 Ca 0.00 -0.36 -0.14 0.00 -0.37 0.00 0.00 57.07 56.20 3ihk s TYR 151 Cb 0.00 -1.89 0.03 0.00 -0.40 0.00 0.00 41.96 39.71 3ihk s TYR 151 CO 0.00 0.11 0.37 -1.50 -1.57 0.00 0.00 175.55 172.96 3ihk s ILE 152 N -2.37 0.02 0.01 2.71 2.07 0.25 -2.09 121.20 121.80 3ihk s ILE 152 Ca 0.43 -0.13 0.01 0.00 -1.41 0.00 0.00 60.65 59.54 3ihk s ILE 152 Cb -0.05 -0.57 -0.01 0.00 0.13 0.00 0.00 42.46 41.97 3ihk s ILE 152 CO 0.26 -0.07 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.75 3ihk s SER 153 N -0.27 0.38 0.39 4.50 0.01 0.72 -1.72 113.70 117.71 3ihk s SER 153 Ca -0.04 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.97 3ihk s SER 153 Cb -0.03 0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 3ihk s SER 153 CO 0.02 -0.10 0.01 0.49 0.41 0.00 0.00 173.24 174.07 3ihk n PHE 154 N 2.38 0.86 -3.72 2.43 3.72 -0.86 -1.06 117.46 121.22 3ihk n PHE 154 Ca -0.17 -1.94 -0.30 0.00 -0.05 0.00 0.00 57.45 54.99 3ihk n PHE 154 Cb 0.57 -0.24 -0.15 0.00 -0.94 0.00 0.00 39.48 38.72 3ihk n PHE 154 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ihk s ALA 156 N -2.69 1.39 0.47 4.37 0.00 -1.26 -2.06 121.76 121.99 3ihk s ALA 156 Ca 0.01 -1.50 0.40 0.00 0.00 0.00 0.00 51.96 50.87 3ihk s ALA 156 Cb 0.00 -1.55 1.52 0.00 0.00 0.00 0.00 23.12 23.09 3ihk s ALA 156 CO 0.01 -1.60 1.44 0.00 0.00 0.00 0.00 175.76 175.61 3ihk n ALA 157 N 4.91 1.57 -2.29 0.00 0.00 -1.16 -2.27 120.51 121.27 3ihk n ALA 157 Ca -0.03 0.68 0.02 0.00 0.00 0.00 0.00 53.44 54.11 3ihk n ALA 157 Cb 0.43 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 18.92 3ihk n ALA 157 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ihk n ASN 158 N -4.08 1.57 0.00 0.00 3.02 -1.26 -5.00 115.26 109.51 3ihk n ASN 158 Ca 0.40 -2.62 0.00 0.00 -0.03 0.00 0.00 54.58 52.33 3ihk n ASN 158 Cb 1.71 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 40.49 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 -0.17 0.88 3.72 7.41 0.00 -0.96 -5.05 105.19 111.02 3ihk n GLY 159 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.59 2.16 0.18 4.61 0.00 -1.26 -4.95 121.76 119.92 3ihk s ALA 160 Ca 0.00 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 3ihk s ALA 160 Cb 0.00 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 3ihk s ALA 160 CO 0.00 -1.82 1.07 -1.01 0.00 0.00 0.00 175.76 174.00 3ihk s HIS 161 N -1.90 3.65 0.18 0.00 3.76 -1.26 -4.71 115.29 115.01 3ihk s HIS 161 Ca 0.75 1.66 0.02 0.00 -0.15 0.00 0.00 55.06 57.34 3ihk s HIS 161 Cb -0.30 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.13 3ihk s HIS 161 CO 0.44 -0.41 0.33 -0.51 -0.85 0.00 0.00 174.74 173.74 3ihk s LEU 162 N -0.50 4.30 -0.09 0.89 1.43 -1.26 -4.30 118.68 119.14 3ihk s LEU 162 Ca 0.48 0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.80 3ihk s LEU 162 Cb -0.29 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 42.97 3ihk s LEU 162 CO 0.35 0.00 -0.06 -0.55 0.23 0.00 0.00 176.35 176.32 3ihk s SER 163 N -3.32 1.86 -0.04 2.29 0.15 -0.69 -4.78 113.70 109.17 3ihk s SER 163 Ca 0.36 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 3ihk s SER 163 Cb -0.11 -0.70 0.03 0.00 -1.71 0.00 0.00 66.02 63.53 3ihk s SER 163 CO 0.29 -0.11 0.02 -0.63 1.20 0.00 0.00 173.24 174.01 3ihk s ILE 164 N 1.58 0.11 0.05 6.45 1.01 -1.10 -1.61 121.20 127.69 3ihk s ILE 164 Ca 0.01 0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.89 3ihk s ILE 164 Cb -0.13 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 3ihk s ILE 164 CO -0.05 0.19 -0.04 -1.10 0.00 0.00 0.00 174.94 173.93 3ihk s GLN 165 N 1.72 0.61 -0.25 2.79 -0.21 -0.57 -0.69 119.66 123.05 3ihk s GLN 165 Ca -0.00 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.25 3ihk s GLN 165 Cb -0.13 0.09 0.00 0.00 1.00 0.00 0.00 33.01 33.97 3ihk s GLN 165 CO -0.03 -0.07 0.00 -0.25 -2.12 0.00 0.00 175.29 172.81 3ihk n ASP 166 N 0.37 -3.83 -4.81 5.90 10.43 -1.26 -2.38 116.55 120.97 3ihk n ASP 166 Ca -0.16 0.06 -0.22 0.00 2.57 0.00 0.00 54.79 57.04 3ihk n ASP 166 Cb 0.60 -1.53 -0.05 0.00 1.84 0.00 0.00 41.12 41.98 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 -1.91 3.74 0.38 2.24 0.00 -1.26 -4.28 121.76 120.66 3ihk s ALA 167 Ca 0.00 -1.79 0.11 0.00 0.00 0.00 0.00 51.96 50.28 3ihk s ALA 167 Cb 0.00 -0.93 0.88 0.00 0.00 0.00 0.00 23.12 23.07 3ihk s ALA 167 CO 0.00 -0.04 1.88 -0.22 0.00 0.00 0.00 175.76 177.39 3ihk h LYS 168 N 1.33 0.60 -5.10 0.00 3.64 -1.64 -3.37 116.57 112.03 3ihk h LYS 168 Ca -0.44 -0.04 -0.65 0.00 -1.27 0.00 0.00 60.65 58.26 3ihk h LYS 168 Cb 1.26 -0.13 -0.34 0.00 -0.41 0.00 0.00 32.23 32.60 3ihk h LYS 168 CO 0.61 0.40 -0.86 0.71 -2.27 0.00 0.00 179.45 178.03 3ihk s TYR 169 N -5.60 2.47 -0.08 1.91 2.02 -1.26 -5.02 117.35 111.79 3ihk s TYR 169 Ca -0.09 -1.20 -0.01 0.00 -0.37 0.00 0.00 57.07 55.40 3ihk s TYR 169 Cb 0.22 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 3ihk s TYR 169 CO 0.78 -0.55 -0.01 -1.21 -1.57 0.00 0.00 175.55 172.99 3ihk s GLU 170 N 0.79 2.94 -0.59 -0.62 2.02 -1.26 -4.80 118.70 117.19 3ihk s GLU 170 Ca -0.09 -0.44 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 3ihk s GLU 170 Cb -0.16 -2.76 0.15 0.00 0.10 0.00 0.00 34.13 31.46 3ihk s GLU 170 CO -0.00 0.69 0.39 -1.17 0.02 0.00 0.00 175.26 175.19 3ihk s LEU 171 N -0.91 5.13 0.10 1.80 2.96 0.13 -4.96 118.68 122.94 3ihk s LEU 171 Ca 0.14 -2.78 0.05 0.00 -0.22 0.00 0.00 54.13 51.32 3ihk s LEU 171 Cb -0.11 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3ihk s LEU 171 CO 0.03 -0.37 0.03 0.42 -1.32 0.00 0.00 176.35 175.13 3ihk s THR 172 N 0.05 4.15 -0.45 3.68 -4.23 -1.26 -2.72 115.64 114.85 3ihk s THR 172 Ca 0.16 -0.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.72 3ihk s THR 172 Cb -0.21 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 70.66 3ihk s THR 172 CO -0.03 0.08 0.95 -1.84 -0.54 0.00 0.00 174.62 173.23 3ihk n GLU 173 N 0.39 0.02 -0.09 3.99 0.00 -1.26 -0.19 120.64 123.50 3ihk n GLU 173 Ca -0.10 0.38 -0.19 0.00 0.00 0.00 0.00 57.16 57.26 3ihk n GLU 173 Cb 0.52 -1.80 -0.11 0.00 0.00 0.00 0.00 31.44 30.06 3ihk n GLU 173 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3ihk h GLU 174 N 0.00 0.00 -0.62 3.44 5.08 -2.00 -3.36 114.58 117.12 3ihk h GLU 174 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ihk h GLU 174 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3ihk h GLU 174 CO 0.00 0.93 0.00 0.27 -1.00 0.00 0.00 179.01 179.21 3ihk n ASN 175 N -4.49 3.84 -4.68 1.42 6.94 -0.39 -5.00 115.26 112.90 3ihk n ASN 175 Ca -0.25 -2.30 -0.39 0.00 -0.02 0.00 0.00 54.58 51.63 3ihk n ASN 175 Cb 0.60 -0.50 0.04 0.00 -2.36 0.00 0.00 39.78 37.56 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 0.95 1.62 -3.68 -2.53 4.19 0.73 -4.80 117.16 113.64 3ihk n TYR 176 Ca 0.21 0.46 -0.15 0.00 3.31 0.00 0.00 57.90 61.73 3ihk n TYR 176 Cb 0.71 -2.27 -0.08 0.00 0.49 0.00 0.00 39.34 38.19 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 -1.36 -0.33 0.04 2.98 -0.71 -1.26 -5.07 117.98 112.28 3ihk s PHE 177 Ca 0.71 0.52 -0.30 0.00 -1.04 0.00 0.00 56.93 56.82 3ihk s PHE 177 Cb -0.44 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 3ihk s PHE 177 CO 0.50 -0.47 0.97 -0.65 -1.34 0.00 0.00 175.22 174.23 3ihk s GLN 178 N -1.38 4.60 -0.18 1.99 -0.21 -1.26 -5.02 119.66 118.21 3ihk s GLN 178 Ca -0.12 1.43 -0.28 0.00 0.02 0.00 0.00 55.36 56.40 3ihk s GLN 178 Cb -0.03 -3.43 0.10 0.00 1.00 0.00 0.00 33.01 30.65 3ihk s GLN 178 CO 0.05 0.04 0.87 0.15 -2.12 0.00 0.00 175.29 174.29 3ihk s LYS 179 N 0.68 0.74 0.05 2.91 -0.14 -1.26 -5.06 119.74 117.66 3ihk s LYS 179 Ca 0.50 0.43 0.02 0.00 -1.36 0.00 0.00 55.97 55.56 3ihk s LYS 179 Cb -0.22 0.35 -0.25 0.00 -1.68 0.00 0.00 37.83 36.03 3ihk s LYS 179 CO 0.29 -0.18 1.05 -0.22 -0.76 0.00 0.00 175.35 175.52 3ihk h LYS 180 N 3.48 0.15 -2.77 1.68 1.63 -1.96 -3.44 116.57 115.34 3ihk h LYS 180 Ca -0.25 -0.25 -0.37 0.00 -0.85 0.00 0.00 60.65 58.93 3ihk h LYS 180 Cb 1.16 0.09 -0.38 0.00 -0.60 0.00 0.00 32.23 32.50 3ihk h LYS 180 CO 0.24 1.04 -0.68 -1.50 -3.45 0.00 0.00 179.45 175.10 3ihk s ILE 181 N -2.65 -0.23 -0.57 2.00 2.07 -1.26 -4.04 121.20 116.52 3ihk s ILE 181 Ca -0.04 -0.10 -0.27 0.00 -1.41 0.00 0.00 60.65 58.84 3ihk s ILE 181 Cb 0.08 -0.61 0.03 0.00 0.13 0.00 0.00 42.46 42.10 3ihk s ILE 181 CO 0.85 -0.21 1.11 -0.31 -1.91 0.00 0.00 174.94 174.46 3ihk s TYR 182 N 2.25 2.66 0.54 3.50 2.02 -0.88 -4.96 117.35 122.49 3ihk s TYR 182 Ca 0.05 0.25 0.04 0.00 -0.37 0.00 0.00 57.07 57.04 3ihk s TYR 182 Cb -0.16 -4.36 0.04 0.00 -0.40 0.00 0.00 41.96 37.09 3ihk s TYR 182 CO -0.10 -1.52 0.37 -1.13 -1.57 0.00 0.00 175.55 171.59 3ihk n SER 183 N 8.12 2.80 -2.59 2.29 3.41 -1.26 -2.04 113.62 124.35 3ihk n SER 183 Ca 0.06 -2.90 -0.20 0.00 -0.26 0.00 0.00 58.87 55.56 3ihk n SER 183 Cb 0.48 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3ihk n SER 183 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ihk n SER 184 N -1.78 -5.71 -4.97 4.04 7.64 -1.25 -4.96 113.62 106.63 3ihk n SER 184 Ca -0.04 -0.08 -0.22 0.00 1.01 0.00 0.00 58.87 59.55 3ihk n SER 184 Cb 0.62 -4.72 0.02 0.00 -1.01 0.00 0.00 64.21 59.12 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 -2.24 5.57 0.24 6.43 3.84 -0.70 -4.88 114.94 123.21 3ihk s ASN 185 Ca 0.09 0.10 0.04 0.00 0.21 0.00 0.00 52.86 53.30 3ihk s ASN 185 Cb -0.04 -1.17 -0.02 0.00 -0.55 0.00 0.00 41.25 39.47 3ihk s ASN 185 CO 0.11 -0.90 0.23 -1.84 -2.79 0.00 0.00 177.10 171.91 3ihk n GLU 186 N -2.17 0.33 -3.96 0.43 0.28 -1.26 -0.59 120.64 113.70 3ihk n GLU 186 Ca 0.05 -2.35 -0.21 0.00 -0.16 0.00 0.00 57.16 54.48 3ihk n GLU 186 Cb 0.59 1.98 -0.04 0.00 1.43 0.00 0.00 31.44 35.40 3ihk n GLU 186 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3ihk s PHE 187 N -3.06 3.02 -0.38 -1.84 0.08 -1.26 -1.83 117.98 112.71 3ihk s PHE 187 Ca 0.28 -0.20 0.12 0.00 0.12 0.00 0.00 56.93 57.25 3ihk s PHE 187 Cb 0.01 -1.59 0.43 0.00 -0.57 0.00 0.00 43.02 41.29 3ihk s PHE 187 CO 0.20 0.36 0.99 1.63 -0.10 0.00 0.00 175.22 178.29 3ihk n LYS 188 N -1.28 2.08 -1.44 0.44 5.02 -1.26 -4.70 118.16 117.02 3ihk n LYS 188 Ca -0.05 -3.82 -0.13 0.00 -2.02 0.00 0.00 58.31 52.29 3ihk n LYS 188 Cb 0.59 -1.71 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 3ihk n LYS 188 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ihk n ASP 189 N -0.19 -4.54 -3.69 4.39 8.00 -1.26 -5.00 116.55 114.26 3ihk n ASP 189 Ca 0.23 0.30 -0.15 0.00 0.71 0.00 0.00 54.79 55.88 3ihk n ASP 189 Cb 0.72 -3.23 -0.08 0.00 -0.02 0.00 0.00 41.12 38.51 3ihk n ASP 189 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3ihk s LYS 190 N -3.22 0.75 0.39 -1.24 -2.85 -1.26 -5.14 119.74 107.17 3ihk s LYS 190 Ca 0.00 0.03 -0.25 0.00 -1.00 0.00 0.00 55.97 54.75 3ihk s LYS 190 Cb 0.00 0.34 -0.11 0.00 -2.06 0.00 0.00 37.83 36.00 3ihk s LYS 190 CO 0.00 -0.21 1.07 -2.30 0.10 0.00 0.00 175.35 174.01 3ihk n PRO 191 N 1.38 1.50 -3.55 1.78 -0.02 -1.26 -4.93 135.00 129.90 3ihk n PRO 191 Ca -0.20 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.45 3ihk n PRO 191 Cb 0.56 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 3ihk n PRO 191 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ihk s ILE 192 N -1.22 5.09 -0.30 4.25 1.01 -0.70 -4.87 121.20 124.46 3ihk s ILE 192 Ca 0.61 0.68 -0.06 0.00 0.00 0.00 0.00 60.65 61.89 3ihk s ILE 192 Cb -0.57 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.25 3ihk s ILE 192 CO 0.58 0.51 0.06 0.00 0.00 0.00 0.00 174.94 176.09 3ihk s PHE 194 N 1.44 1.38 0.05 0.00 -0.71 -0.97 -1.51 117.98 117.66 3ihk s PHE 194 Ca 0.01 -0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 55.53 3ihk s PHE 194 Cb -0.18 -0.86 -0.01 0.00 -1.21 0.00 0.00 43.02 40.77 3ihk s PHE 194 CO 0.01 0.01 0.14 -1.54 -1.34 0.00 0.00 175.22 172.50 3ihk s SER 195 N -0.68 0.13 -0.11 1.98 1.04 -0.64 -0.84 113.70 114.58 3ihk s SER 195 Ca 0.05 -0.52 -0.09 0.00 0.48 0.00 0.00 55.95 55.87 3ihk s SER 195 Cb -0.07 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.35 3ihk s SER 195 CO 0.00 -0.57 0.29 0.54 0.98 0.00 0.00 173.24 174.48 3ihk s VAL 196 N -2.90 -0.01 0.01 5.02 0.11 -1.09 -1.71 120.40 119.84 3ihk s VAL 196 Ca -0.02 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 3ihk s VAL 196 Cb 0.01 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 3ihk s VAL 196 CO -0.06 0.01 0.93 0.00 -3.33 0.00 0.00 175.10 172.65 3ihk h ALA 197 N 5.96 -0.88 -0.95 1.54 0.00 -1.90 0.71 119.26 123.73 3ihk h ALA 197 Ca -0.28 -0.07 -0.51 0.00 0.00 0.00 0.00 54.91 54.05 3ihk h ALA 197 Cb 1.19 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3ihk h ALA 197 CO 0.33 -0.86 -0.23 -1.54 0.00 0.00 0.00 179.25 176.95 3ihk s SER 198 N -2.83 5.02 0.70 0.00 1.04 -1.26 -4.31 113.70 112.07 3ihk s SER 198 Ca -0.05 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.49 3ihk s SER 198 Cb 0.00 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.17 3ihk s SER 198 CO 0.14 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.91 3ihk n GLY 199 N -1.92 0.95 2.36 7.32 0.00 -1.26 -4.71 105.19 107.93 3ihk n GLY 199 Ca 0.07 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 3ihk n GLY 199 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3ihk n TYR 200 N 0.00 0.19 -4.38 1.61 0.18 -1.26 -2.19 117.16 111.31 3ihk n TYR 200 Ca 0.00 -1.81 -0.22 0.00 1.88 0.00 0.00 57.90 57.76 3ihk n TYR 200 Cb 0.00 -0.03 -0.13 0.00 -0.38 0.00 0.00 39.34 38.79 3ihk n TYR 200 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3ihk s VAL 201 N -2.56 1.32 -0.46 -3.48 1.01 0.60 -2.98 120.40 113.86 3ihk s VAL 201 Ca 0.12 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 3ihk s VAL 201 Cb 0.01 -1.20 0.12 0.00 0.00 0.00 0.00 36.38 35.31 3ihk s VAL 201 CO 0.09 0.01 0.25 -0.69 0.00 0.00 0.00 175.10 174.75 3ihk s VAL 202 N -0.95 3.23 -0.10 2.92 1.01 -1.26 -2.01 120.40 123.25 3ihk s VAL 202 Ca 0.03 -2.39 -0.25 0.00 0.00 0.00 0.00 61.98 59.36 3ihk s VAL 202 Cb -0.09 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3ihk s VAL 202 CO 0.02 -0.73 0.80 -0.69 0.00 0.00 0.00 175.10 174.50 3ihk s VAL 203 N 0.73 4.95 -0.14 2.92 1.01 0.14 -4.48 120.40 125.53 3ihk s VAL 203 Ca 0.11 1.62 -0.00 0.00 0.00 0.00 0.00 61.98 63.71 3ihk s VAL 203 Cb -0.22 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.06 3ihk s VAL 203 CO -0.04 0.14 -0.10 -0.63 0.00 0.00 0.00 175.10 174.47 3ihk s ILE 204 N 1.39 1.27 -0.09 2.22 1.01 -0.22 0.15 121.20 126.93 3ihk s ILE 204 Ca 0.40 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 3ihk s ILE 204 Cb -0.18 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 3ihk s ILE 204 CO 0.17 0.36 0.02 -1.10 0.00 0.00 0.00 174.94 174.39 3ihk s GLN 205 N 1.60 3.05 0.17 2.79 -0.21 0.68 -0.20 119.66 127.55 3ihk s GLN 205 Ca 0.04 -0.38 -0.16 0.00 0.02 0.00 0.00 55.36 54.88 3ihk s GLN 205 Cb -0.13 -2.84 0.02 0.00 1.00 0.00 0.00 33.01 31.06 3ihk s GLN 205 CO -0.09 0.70 0.45 -0.08 -2.12 0.00 0.00 175.29 174.15 3ihk s THR 206 N -0.86 0.04 0.00 -0.19 -1.32 -0.89 -0.68 115.64 111.75 3ihk s THR 206 Ca 0.13 -0.84 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 3ihk s THR 206 Cb -0.11 -1.53 0.00 0.00 -1.51 0.00 0.00 72.50 69.35 3ihk s THR 206 CO 0.02 -0.20 0.00 2.29 -2.21 0.00 0.00 174.62 174.52 3ihk n LYS 207 N -0.29 0.46 -0.80 7.08 2.85 -1.09 -0.76 118.16 125.60 3ihk n LYS 207 Ca -0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 3ihk n LYS 207 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 3ihk n LYS 207 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10