#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz n LEU 2 N 0.00 0.00 -3.83 -0.89 7.94 -1.26 -5.00 117.00 113.96 3huz n LEU 2 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 3huz n LEU 2 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3huz n LEU 2 CO 0.00 0.00 0.27 0.00 -1.11 0.00 0.00 177.39 176.55 3huz s MET 3 N 0.00 1.48 0.32 1.96 0.23 -1.26 -4.63 119.30 117.39 3huz s MET 3 Ca 0.00 -0.99 -0.29 0.00 -1.03 0.00 0.00 55.69 53.37 3huz s MET 3 Cb 0.00 0.52 -0.12 0.00 -1.53 0.00 0.00 34.83 33.69 3huz s MET 3 CO 0.00 -0.63 1.41 -2.30 -2.03 0.00 0.00 175.02 171.47 3huz n PRO 4 N -0.36 2.31 0.00 3.16 -0.02 -1.26 -4.87 135.00 133.96 3huz n PRO 4 Ca -0.07 0.81 0.13 0.00 -2.02 0.00 0.00 63.50 62.36 3huz n PRO 4 Cb 0.62 -2.48 0.41 0.00 -0.02 0.00 0.00 33.50 32.03 3huz n PRO 4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3huz n ARG 5 N 1.17 0.76 -3.49 -0.52 1.74 -1.26 -4.89 116.66 110.17 3huz n ARG 5 Ca 0.06 -0.42 -0.15 0.00 -0.77 0.00 0.00 57.85 56.57 3huz n ARG 5 Cb 0.36 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.26 3huz n ARG 5 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3huz s ARG 6 N -2.53 1.14 -0.05 5.56 1.81 -1.26 -5.19 118.95 118.43 3huz s ARG 6 Ca 0.24 -0.08 -0.20 0.00 -1.72 0.00 0.00 55.73 53.96 3huz s ARG 6 Cb 0.19 0.53 0.04 0.00 -0.45 0.00 0.00 34.95 35.26 3huz s ARG 6 CO 0.52 -0.42 0.46 -1.64 -0.68 0.00 0.00 175.30 173.54 3huz s MET 7 N -2.33 0.78 0.55 3.54 -1.94 -1.26 -4.99 119.30 113.65 3huz s MET 7 Ca -0.06 0.10 0.34 0.00 -1.71 0.00 0.00 55.69 54.36 3huz s MET 7 Cb -0.00 0.36 1.36 0.00 2.01 0.00 0.00 34.83 38.55 3huz s MET 7 CO -0.00 -0.21 1.98 0.87 -0.01 0.00 0.00 175.02 177.65 3huz h LYS 8 N 3.83 0.00 -3.55 2.03 1.57 -2.03 -3.43 116.57 115.00 3huz h LYS 8 Ca -0.28 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.36 3huz h LYS 8 Cb 1.16 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.27 3huz h LYS 8 CO 0.36 0.00 -0.49 0.71 -0.57 0.00 0.00 179.45 179.47 3huz s TYR 9 N -3.66 0.06 -0.15 -1.35 1.51 -1.26 -5.06 117.35 107.44 3huz s TYR 9 Ca 0.01 -0.19 -0.28 0.00 -1.01 0.00 0.00 57.07 55.60 3huz s TYR 9 Cb 0.09 -0.06 -0.25 0.00 -0.11 0.00 0.00 41.96 41.63 3huz s TYR 9 CO 0.54 -0.31 0.69 -0.09 -1.11 0.00 0.00 175.55 175.28 3huz h ARG 10 N 4.14 0.01 -5.39 -0.62 2.43 -2.02 -3.46 114.38 109.47 3huz h ARG 10 Ca -0.31 -0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 58.22 3huz h ARG 10 Cb 1.19 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.58 3huz h ARG 10 CO 0.42 1.01 -0.59 0.15 -1.51 0.00 0.00 179.97 179.45 3huz s LYS 11 N -2.25 3.76 0.11 0.20 1.02 -1.26 -4.86 119.74 116.47 3huz s LYS 11 Ca -0.20 -0.38 0.09 0.00 0.02 0.00 0.00 55.97 55.50 3huz s LYS 11 Cb -0.02 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 3huz s LYS 11 CO 0.68 0.35 -0.21 -1.14 -0.92 0.00 0.00 175.35 174.11 3huz s GLN 12 N 0.13 1.72 0.52 1.68 0.74 -1.26 -5.08 119.66 118.12 3huz s GLN 12 Ca 0.03 -1.20 -0.08 0.00 0.05 0.00 0.00 55.36 54.17 3huz s GLN 12 Cb -0.13 -2.06 0.12 0.00 1.10 0.00 0.00 33.01 32.04 3huz s GLN 12 CO 0.01 0.48 0.27 1.04 -0.55 0.00 0.00 175.29 176.54 3huz n GLN 13 N 0.97 -1.73 0.00 1.67 6.02 -1.26 -4.87 117.38 118.17 3huz n GLN 13 Ca -0.16 -0.45 0.00 0.00 -0.01 0.00 0.00 57.00 56.37 3huz n GLN 13 Cb 0.53 -0.72 0.00 0.00 1.02 0.00 0.00 30.24 31.07 3huz n GLN 13 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3huz n ARG 14 N -2.22 0.00 0.00 -1.09 0.63 -1.26 -4.97 116.66 107.76 3huz n ARG 14 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3huz n ARG 14 Cb 0.19 -0.16 0.00 0.00 0.45 0.00 0.00 32.46 32.94 3huz n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3huz n GLY 15 N 2.21 -1.98 3.80 5.14 0.00 -1.26 -5.04 105.19 108.05 3huz n GLY 15 Ca 0.00 -1.51 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 3huz n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3huz n ARG 16 N -1.94 0.66 -4.62 1.61 0.63 -1.26 -5.15 116.66 106.59 3huz n ARG 16 Ca 0.00 -3.29 -0.28 0.00 -0.92 0.00 0.00 57.85 53.36 3huz n ARG 16 Cb 0.00 0.15 -0.10 0.00 0.45 0.00 0.00 32.46 32.96 3huz n ARG 16 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3huz s LEU 17 N 0.00 2.51 -0.00 6.15 1.43 -1.26 -5.17 118.68 122.34 3huz s LEU 17 Ca 0.42 -1.48 -0.28 0.00 -1.03 0.00 0.00 54.13 51.76 3huz s LEU 17 Cb -0.03 -0.69 0.06 0.00 0.03 0.00 0.00 46.19 45.56 3huz s LEU 17 CO 0.26 -0.64 0.62 -0.54 0.23 0.00 0.00 176.35 176.29 3huz s LYS 18 N -3.79 1.07 1.13 1.70 -0.14 -1.26 -5.17 119.74 113.28 3huz s LYS 18 Ca 0.26 0.05 -0.19 0.00 -1.36 0.00 0.00 55.97 54.73 3huz s LYS 18 Cb 0.07 0.50 0.29 0.00 -1.68 0.00 0.00 37.83 37.01 3huz s LYS 18 CO 0.13 -0.36 0.72 0.41 -0.76 0.00 0.00 175.35 175.48 3huz n GLY 19 N 0.65 -3.70 2.38 -3.33 0.00 -1.26 -4.69 105.19 95.24 3huz n GLY 19 Ca -0.19 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.51 3huz n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huz n ALA 20 N -5.11 -3.40 -2.10 4.61 0.00 -1.25 -4.89 120.51 108.37 3huz n ALA 20 Ca -0.16 0.63 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 3huz n ALA 20 Cb 0.47 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 3huz n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3huz s THR 21 N -1.08 3.22 0.13 0.00 2.01 -1.24 -4.89 115.64 113.78 3huz s THR 21 Ca -0.04 0.92 -0.28 0.00 0.31 0.00 0.00 61.69 62.60 3huz s THR 21 Cb 0.00 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 3huz s THR 21 CO 0.58 0.10 1.60 0.11 -0.69 0.00 0.00 174.62 176.32 3huz h LYS 22 N 6.27 -0.49 -5.26 4.92 1.57 -1.96 -3.43 116.57 118.19 3huz h LYS 22 Ca -0.43 0.03 -0.39 0.00 -1.87 0.00 0.00 60.65 57.99 3huz h LYS 22 Cb 1.21 0.11 -0.20 0.00 0.08 0.00 0.00 32.23 33.43 3huz h LYS 22 CO 0.83 -0.33 -0.76 0.20 -0.57 0.00 0.00 179.45 178.82 3huz s GLY 23 N -2.51 0.89 0.00 3.86 0.00 -1.26 -4.92 107.32 103.37 3huz s GLY 23 Ca -0.16 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3huz s GLY 23 CO 0.65 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 173.23 3huz n GLY 24 N 1.00 0.73 0.03 0.20 0.00 -1.26 -4.74 105.19 101.15 3huz n GLY 24 Ca -0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.86 3huz n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3huz n ASP 25 N 0.00 1.43 -4.69 1.61 9.92 -1.26 -1.64 116.55 121.92 3huz n ASP 25 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 3huz n ASP 25 Cb 0.00 1.46 -0.07 0.00 -0.64 0.00 0.00 41.12 41.87 3huz n ASP 25 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3huz s TYR 26 N -2.86 2.89 0.00 1.24 -0.85 -1.26 -4.93 117.35 111.57 3huz s TYR 26 Ca -0.06 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 3huz s TYR 26 Cb 0.08 -1.37 0.00 0.00 0.38 0.00 0.00 41.96 41.05 3huz s TYR 26 CO 0.63 0.53 0.33 0.28 -1.52 0.00 0.00 175.55 175.80 3huz n VAL 27 N -0.35 0.00 -3.46 -3.49 0.31 -1.26 -4.91 118.33 105.18 3huz n VAL 27 Ca -0.09 0.81 -0.28 0.00 -0.01 0.00 0.00 64.34 64.77 3huz n VAL 27 Cb 0.56 -1.79 0.02 0.00 -0.91 0.00 0.00 33.84 31.71 3huz n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huz n ALA 28 N -1.95 -2.38 0.00 3.52 0.00 -1.26 -4.65 120.51 113.78 3huz n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3huz n ALA 28 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3huz n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3huz n PHE 29 N -1.35 0.00 -4.02 0.00 0.99 -1.26 -5.11 117.46 106.70 3huz n PHE 29 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.16 3huz n PHE 29 Cb 0.61 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 39.08 3huz n PHE 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3huz n GLY 30 N 0.00 3.61 0.07 1.37 0.00 -1.26 -5.01 105.19 103.97 3huz n GLY 30 Ca 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 3huz n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3huz h ASP 31 N 0.34 -0.02 -3.00 1.61 3.32 -1.81 -3.47 116.42 113.38 3huz h ASP 31 Ca -0.13 -0.66 -0.63 0.00 0.02 0.00 0.00 57.03 55.62 3huz h ASP 31 Cb 0.43 0.01 -0.15 0.00 0.22 0.00 0.00 39.33 39.83 3huz h ASP 31 CO 0.22 0.78 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.45 3huz s TYR 32 N -2.30 2.50 0.45 4.55 1.51 -1.16 -4.28 117.35 118.63 3huz s TYR 32 Ca -0.14 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 3huz s TYR 32 Cb -0.02 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 3huz s TYR 32 CO 0.50 0.52 0.02 0.20 -1.11 0.00 0.00 175.55 175.68 3huz s GLY 33 N -2.84 2.71 -0.32 0.71 0.00 -1.21 -3.08 107.32 103.28 3huz s GLY 33 Ca 0.24 -1.36 -0.00 0.00 0.00 0.00 0.00 44.72 43.60 3huz s GLY 33 CO 0.13 -2.10 0.11 -2.27 0.00 0.00 0.00 173.10 168.98 3huz s LEU 34 N -3.75 2.38 0.35 0.66 2.96 -0.84 -2.88 118.68 117.56 3huz s LEU 34 Ca 0.21 -1.76 -0.02 0.00 -0.22 0.00 0.00 54.13 52.35 3huz s LEU 34 Cb 0.06 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 3huz s LEU 34 CO 0.11 -0.40 0.58 0.54 -1.32 0.00 0.00 176.35 175.86 3huz s VAL 35 N 1.47 5.06 0.37 1.68 0.11 0.03 -2.18 120.40 126.93 3huz s VAL 35 Ca 0.11 -0.23 -0.04 0.00 -2.93 0.00 0.00 61.98 58.89 3huz s VAL 35 Cb -0.18 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 3huz s VAL 35 CO -0.22 -0.53 0.63 0.00 -3.33 0.00 0.00 175.10 171.65 3huz s ALA 36 N -2.31 3.56 0.00 1.54 0.00 -0.77 -2.22 121.76 121.57 3huz s ALA 36 Ca 0.42 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3huz s ALA 36 Cb -0.10 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.66 3huz s ALA 36 CO 0.36 -0.02 0.00 1.28 0.00 0.00 0.00 175.76 177.38 3huz n LEU 37 N -1.59 1.10 -4.23 0.00 7.99 -1.05 -2.67 117.00 116.55 3huz n LEU 37 Ca -0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.74 3huz n LEU 37 Cb 0.55 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.72 3huz n LEU 37 CO 0.50 0.13 -0.51 -1.83 -1.51 0.00 0.00 177.39 174.16 3huz s GLU 38 N -1.90 1.34 1.11 3.23 -1.05 -1.26 -4.33 118.70 115.84 3huz s GLU 38 Ca 0.00 -0.89 -0.12 0.00 -0.15 0.00 0.00 54.97 53.81 3huz s GLU 38 Cb 0.00 -1.42 0.25 0.00 -0.44 0.00 0.00 34.13 32.52 3huz s GLU 38 CO 0.00 0.37 1.04 -0.35 0.95 0.00 0.00 175.26 177.26 3huz n PRO 39 N 1.94 -1.95 0.00 -4.83 -0.04 -1.26 -4.64 135.00 124.21 3huz n PRO 39 Ca -0.17 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 3huz n PRO 39 Cb 0.53 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 3huz n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3huz n ALA 40 N -4.80 0.00 -3.44 0.55 0.00 -0.82 -4.99 120.51 107.01 3huz n ALA 40 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 3huz n ALA 40 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 3huz n ALA 40 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3huz n TRP 41 N -0.53 3.47 -1.54 0.00 8.01 -1.26 -2.20 117.44 123.39 3huz n TRP 41 Ca 0.00 -3.82 -0.48 0.00 -1.31 0.00 0.00 57.50 51.89 3huz n TRP 41 Cb 0.00 -0.88 -0.05 0.00 -2.01 0.00 0.00 31.31 28.37 3huz n TRP 41 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 3huz n ILE 42 N 1.46 0.32 -3.64 -0.99 -0.00 0.05 -4.52 119.36 112.04 3huz n ILE 42 Ca 0.26 -0.29 -0.33 0.00 -0.00 0.00 0.00 62.75 62.39 3huz n ILE 42 Cb 0.38 -1.97 -0.05 0.00 -0.00 0.00 0.00 39.64 38.00 3huz n ILE 42 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 3huz s THR 43 N 6.91 5.15 0.35 1.39 -1.32 -1.26 0.68 115.64 127.53 3huz s THR 43 Ca 1.03 0.23 0.17 0.00 -1.21 0.00 0.00 61.69 61.91 3huz s THR 43 Cb -0.67 -3.62 0.35 0.00 -1.51 0.00 0.00 72.50 67.05 3huz s THR 43 CO 0.46 0.18 1.60 0.00 -2.21 0.00 0.00 174.62 174.64 3huz h ALA 44 N 3.32 1.98 -0.75 11.08 0.00 -1.86 0.28 119.26 133.31 3huz h ALA 44 Ca -0.48 0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.83 3huz h ALA 44 Cb 1.18 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 3huz h ALA 44 CO 0.69 -0.81 0.29 1.96 0.00 0.00 0.00 179.25 181.38 3huz h GLN 45 N 0.09 0.41 0.00 0.00 1.08 -1.94 -0.98 115.11 113.77 3huz h GLN 45 Ca 0.79 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.96 3huz h GLN 45 Cb 1.96 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.30 3huz h GLN 45 CO -0.74 0.27 0.00 1.04 -0.95 0.00 0.00 178.83 178.45 3huz n GLN 46 N -5.02 0.00 0.00 1.46 6.02 0.95 -3.53 117.38 117.26 3huz n GLN 46 Ca 0.14 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 3huz n GLN 46 Cb 0.43 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.48 3huz n GLN 46 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3huz n ILE 47 N -1.91 0.00 0.00 5.09 5.41 -1.03 0.29 119.36 127.21 3huz n ILE 47 Ca 0.00 0.68 0.00 0.00 1.00 0.00 0.00 62.75 64.43 3huz n ILE 47 Cb 0.00 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 3huz n ILE 47 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3huz n GLU 48 N -0.78 0.00 -0.00 0.38 4.07 -0.39 -0.50 120.64 123.41 3huz n GLU 48 Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 3huz n GLU 48 Cb 0.00 -1.26 -0.00 0.00 -0.06 0.00 0.00 31.44 30.11 3huz n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3huz n ALA 49 N -0.54 2.61 0.34 4.31 0.00 0.39 -4.28 120.51 123.34 3huz n ALA 49 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3huz n ALA 49 Cb 0.00 0.49 0.51 0.00 0.00 0.00 0.00 19.45 20.45 3huz n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huz n ALA 50 N -2.84 1.51 0.04 0.00 0.00 0.83 -0.70 120.51 119.35 3huz n ALA 50 Ca -0.01 0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.38 3huz n ALA 50 Cb 0.51 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 3huz n ALA 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3huz h ARG 51 N 0.00 0.21 -0.21 0.00 2.43 -1.09 -3.26 114.38 112.46 3huz h ARG 51 Ca 0.00 -0.36 -0.05 0.00 -0.81 0.00 0.00 59.98 58.76 3huz h ARG 51 Cb 0.28 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3huz h ARG 51 CO 0.00 1.04 -0.09 0.28 -1.51 0.00 0.00 179.97 179.69 3huz h VAL 52 N 0.06 1.18 -1.05 0.20 2.07 -1.10 -0.85 116.25 116.76 3huz h VAL 52 Ca -0.27 -0.78 0.28 0.00 0.82 0.00 0.00 66.70 66.75 3huz h VAL 52 Cb 2.01 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 32.83 3huz h VAL 52 CO 0.14 0.25 0.70 0.00 0.02 0.00 0.00 177.57 178.68 3huz h ALA 53 N 1.60 2.45 0.23 1.67 0.00 -1.40 -0.62 119.26 123.19 3huz h ALA 53 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3huz h ALA 53 Cb 0.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3huz h ALA 53 CO 0.02 -0.83 -0.11 0.52 0.00 0.00 0.00 179.25 178.85 3huz h MET 54 N 0.29 -0.30 0.00 0.00 2.07 -1.30 -2.52 114.93 113.16 3huz h MET 54 Ca 0.57 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 58.22 3huz h MET 54 Cb 1.66 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 31.46 3huz h MET 54 CO -0.22 -0.20 0.37 -0.39 1.07 0.00 0.00 176.91 177.54 3huz h VAL 55 N -0.56 0.00 0.00 -2.22 -1.51 -1.34 1.31 116.25 111.93 3huz h VAL 55 Ca -0.03 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.26 3huz h VAL 55 Cb 0.24 0.45 -0.03 0.00 -2.13 0.00 0.00 31.29 29.82 3huz h VAL 55 CO 0.05 0.00 -1.54 0.54 -1.23 0.00 0.00 177.57 175.39 3huz n ARG 56 N -2.49 0.63 0.00 5.19 5.12 -0.31 -3.74 116.66 121.05 3huz n ARG 56 Ca -0.01 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 3huz n ARG 56 Cb 0.40 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 29.93 3huz n ARG 56 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 3huz n HIS 57 N -2.85 0.00 -2.72 -1.55 -0.00 0.43 -4.45 115.22 104.08 3huz n HIS 57 Ca -0.12 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.64 3huz n HIS 57 Cb 0.86 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.71 3huz n HIS 57 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 3huz s PHE 58 N -0.06 2.88 -0.03 1.57 -0.12 -0.23 -4.97 117.98 117.02 3huz s PHE 58 Ca 0.00 -1.33 -0.30 0.00 -0.05 0.00 0.00 56.93 55.25 3huz s PHE 58 Cb 0.00 -4.54 -0.04 0.00 -0.63 0.00 0.00 43.02 37.81 3huz s PHE 58 CO 0.00 -1.71 1.25 -0.98 -0.05 0.00 0.00 175.22 173.73 3huz s ARG 59 N 3.73 4.34 -0.13 1.99 1.70 -1.25 -2.37 118.95 126.96 3huz s ARG 59 Ca 0.43 1.76 -0.01 0.00 -0.47 0.00 0.00 55.73 57.45 3huz s ARG 59 Cb -0.01 -3.54 0.00 0.00 -0.57 0.00 0.00 34.95 30.84 3huz s ARG 59 CO -0.05 -0.46 0.09 0.54 -1.08 0.00 0.00 175.30 174.34 3huz n ARG 60 N 5.10 -0.65 -1.68 3.89 1.74 -1.26 -5.06 116.66 118.73 3huz n ARG 60 Ca 0.11 0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 57.18 3huz n ARG 60 Cb 0.45 -2.90 0.04 0.00 -1.02 0.00 0.00 32.46 29.03 3huz n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3huz n GLY 61 N -0.68 1.47 3.69 -0.13 0.00 -1.00 -5.07 105.19 103.48 3huz n GLY 61 Ca -0.00 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 3huz n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huz s GLY 62 N -3.27 2.51 0.00 -0.02 0.00 -0.88 -4.95 107.32 100.71 3huz s GLY 62 Ca 0.27 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.37 3huz s GLY 62 CO 0.17 1.79 0.00 1.17 0.00 0.00 0.00 173.10 176.23 3huz n LYS 63 N 4.64 0.00 -4.33 2.90 4.81 -1.25 -3.50 118.16 121.43 3huz n LYS 63 Ca 0.07 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.16 3huz n LYS 63 Cb 0.50 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.45 3huz n LYS 63 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3huz s ILE 64 N 0.00 4.32 0.15 3.15 1.01 -1.26 -2.17 121.20 126.40 3huz s ILE 64 Ca 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3huz s ILE 64 Cb 0.00 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3huz s ILE 64 CO 0.00 0.57 0.09 -0.36 0.00 0.00 0.00 174.94 175.24 3huz s PHE 65 N -0.52 3.07 -0.47 3.97 0.08 -0.24 -5.00 117.98 118.86 3huz s PHE 65 Ca 0.09 -0.04 0.03 0.00 0.12 0.00 0.00 56.93 57.13 3huz s PHE 65 Cb -0.12 -1.49 0.15 0.00 -0.57 0.00 0.00 43.02 40.99 3huz s PHE 65 CO 0.02 0.52 0.30 0.42 -0.10 0.00 0.00 175.22 176.37 3huz s ILE 66 N -1.68 1.31 -0.01 0.64 1.01 -1.26 -3.45 121.20 117.76 3huz s ILE 66 Ca 0.30 -2.77 0.00 0.00 0.00 0.00 0.00 60.65 58.18 3huz s ILE 66 Cb -0.10 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.48 3huz s ILE 66 CO 0.22 -0.99 1.56 0.54 0.00 0.00 0.00 174.94 176.27 3huz n ARG 67 N 3.21 1.04 -3.65 2.79 1.74 -0.21 -4.69 116.66 116.88 3huz n ARG 67 Ca 0.15 -0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 57.06 3huz n ARG 67 Cb 0.37 -1.03 -0.08 0.00 -1.02 0.00 0.00 32.46 30.70 3huz n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3huz s ILE 68 N -0.11 -0.01 -0.10 0.55 -4.36 -1.25 -4.63 121.20 111.30 3huz s ILE 68 Ca 0.02 0.02 -0.02 0.00 -0.26 0.00 0.00 60.65 60.41 3huz s ILE 68 Cb 0.01 -0.91 0.04 0.00 1.25 0.00 0.00 42.46 42.85 3huz s ILE 68 CO 0.00 0.01 0.00 0.12 0.24 0.00 0.00 174.94 175.31 3huz s PHE 69 N 1.42 0.80 -0.45 1.37 5.36 -1.26 -5.09 117.98 120.13 3huz s PHE 69 Ca -0.09 -0.37 -0.27 0.00 -0.96 0.00 0.00 56.93 55.25 3huz s PHE 69 Cb -0.06 -0.88 -0.07 0.00 -0.34 0.00 0.00 43.02 41.67 3huz s PHE 69 CO -0.16 -0.41 2.38 -2.30 -1.46 0.00 0.00 175.22 173.28 3huz n PRO 70 N 5.11 1.20 -0.03 10.12 -0.02 -1.26 -4.70 135.00 145.43 3huz n PRO 70 Ca -0.08 0.13 0.02 0.00 -2.02 0.00 0.00 63.50 61.54 3huz n PRO 70 Cb 0.49 -3.27 0.02 0.00 -0.02 0.00 0.00 33.50 30.73 3huz n PRO 70 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3huz n ASP 71 N 14.50 1.75 -4.48 2.55 5.75 -1.15 -4.18 116.55 131.30 3huz n ASP 71 Ca 0.37 -2.05 -0.36 0.00 -0.01 0.00 0.00 54.79 52.74 3huz n ASP 71 Cb 0.49 -0.07 -0.12 0.00 -1.03 0.00 0.00 41.12 40.38 3huz n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3huz s LYS 72 N -1.14 3.71 -0.14 0.11 2.20 -0.26 -4.96 119.74 119.26 3huz s LYS 72 Ca 0.05 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 3huz s LYS 72 Cb 0.04 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 3huz s LYS 72 CO 0.00 -0.13 1.55 -2.14 -0.36 0.00 0.00 175.35 174.27 3huz s PRO 73 N 1.48 4.06 -0.21 4.03 0.02 -1.26 0.54 135.00 143.65 3huz s PRO 73 Ca 0.06 1.88 -0.14 0.00 0.02 0.00 0.00 61.00 62.82 3huz s PRO 73 Cb -0.15 -3.95 -0.04 0.00 0.02 0.00 0.00 34.50 30.38 3huz s PRO 73 CO 0.04 -0.97 0.30 -0.47 -0.33 0.00 0.00 177.00 175.58 3huz s TYR 74 N 4.31 3.36 -0.05 6.54 5.04 0.39 -4.52 117.35 132.42 3huz s TYR 74 Ca 0.68 0.48 0.02 0.00 -2.44 0.00 0.00 57.07 55.81 3huz s TYR 74 Cb -0.28 -2.42 -0.03 0.00 0.35 0.00 0.00 41.96 39.59 3huz s TYR 74 CO 0.26 0.04 -0.09 0.99 -1.34 0.00 0.00 175.55 175.41 3huz s THR 75 N 1.14 3.49 -0.14 4.34 2.01 -1.26 -0.48 115.64 124.74 3huz s THR 75 Ca 0.15 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 3huz s THR 75 Cb -0.14 -2.42 0.06 0.00 0.01 0.00 0.00 72.50 70.01 3huz s THR 75 CO 0.06 0.57 0.30 -0.75 -0.69 0.00 0.00 174.62 174.12 3huz s LYS 76 N -0.86 0.22 1.10 4.92 2.20 -0.36 -4.90 119.74 122.07 3huz s LYS 76 Ca 0.13 0.74 -0.13 0.00 -0.36 0.00 0.00 55.97 56.35 3huz s LYS 76 Cb -0.11 0.00 0.23 0.00 -1.51 0.00 0.00 37.83 36.44 3huz s LYS 76 CO 0.02 -0.23 0.91 1.63 -0.36 0.00 0.00 175.35 177.32 3huz n LYS 77 N 4.93 -1.83 -1.10 4.03 5.02 -1.26 -3.27 118.16 124.68 3huz n LYS 77 Ca -0.14 -0.50 -0.29 0.00 -2.02 0.00 0.00 58.31 55.36 3huz n LYS 77 Cb 0.51 -2.15 0.16 0.00 -0.02 0.00 0.00 35.03 33.53 3huz n LYS 77 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3huz s PRO 78 N -4.32 0.75 0.23 1.97 0.02 -1.26 -4.89 135.00 127.49 3huz s PRO 78 Ca 0.66 0.77 -0.28 0.00 0.02 0.00 0.00 61.00 62.17 3huz s PRO 78 Cb -0.23 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 3huz s PRO 78 CO 0.64 -2.58 0.88 -1.17 -0.33 0.00 0.00 177.00 174.44 3huz s LEU 79 N -6.42 4.58 0.00 -5.54 0.20 -1.26 -3.86 118.68 106.37 3huz s LEU 79 Ca 0.65 1.82 0.00 0.00 0.69 0.00 0.00 54.13 57.29 3huz s LEU 79 Cb -0.19 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.00 3huz s LEU 79 CO 0.58 0.14 0.00 -0.62 -0.29 0.00 0.00 176.35 176.16 3huz n GLU 80 N 1.37 -0.53 -3.47 1.98 1.02 -1.26 -5.01 120.64 114.74 3huz n GLU 80 Ca -0.03 0.13 -0.34 0.00 -0.02 0.00 0.00 57.16 56.90 3huz n GLU 80 Cb 0.48 -3.54 -0.05 0.00 -0.02 0.00 0.00 31.44 28.31 3huz n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3huz s VAL 81 N -1.85 4.98 0.20 2.62 0.11 -1.25 -5.08 120.40 120.12 3huz s VAL 81 Ca 0.00 0.58 -0.00 0.00 -2.93 0.00 0.00 61.98 59.63 3huz s VAL 81 Cb 0.00 -3.68 0.04 0.00 -1.53 0.00 0.00 36.38 31.21 3huz s VAL 81 CO 0.00 0.20 0.27 -2.11 -3.33 0.00 0.00 175.10 170.14 3huz n ARG 82 N 0.67 0.39 -1.66 1.54 1.85 -1.26 -4.95 116.66 113.23 3huz n ARG 82 Ca -0.05 -0.72 -0.37 0.00 -1.00 0.00 0.00 57.85 55.70 3huz n ARG 82 Cb 0.52 -0.19 0.06 0.00 -1.05 0.00 0.00 32.46 31.81 3huz n ARG 82 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 3huz n MET 83 N -1.50 0.97 0.00 2.89 2.81 -1.26 -4.89 117.12 116.14 3huz n MET 83 Ca 0.04 0.38 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 3huz n MET 83 Cb 0.16 -2.32 0.00 0.00 -0.71 0.00 0.00 33.22 30.35 3huz n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3huz n GLY 84 N 1.14 -2.13 2.69 3.03 0.00 -1.26 -5.04 105.19 103.62 3huz n GLY 84 Ca 0.15 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 3huz n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3huz n LYS 85 N -0.10 -3.02 -0.57 1.61 4.76 -1.26 -4.87 118.16 114.70 3huz n LYS 85 Ca 0.00 0.59 0.08 0.00 -2.87 0.00 0.00 58.31 56.11 3huz n LYS 85 Cb 0.00 -4.65 -0.02 0.00 -1.84 0.00 0.00 35.03 28.51 3huz n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3huz n GLY 86 N -1.20 -1.89 3.71 0.72 0.00 -1.26 -4.93 105.19 100.34 3huz n GLY 86 Ca -0.12 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 3huz n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3huz s LYS 87 N -2.02 0.89 0.00 1.61 2.20 -1.26 -5.06 119.74 116.11 3huz s LYS 87 Ca 0.00 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 3huz s LYS 87 Cb 0.00 -1.79 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 3huz s LYS 87 CO 0.00 -2.43 0.00 0.41 -0.36 0.00 0.00 175.35 172.97 3huz n GLY 88 N -1.34 -0.10 3.52 5.54 0.00 -1.26 -4.96 105.19 106.59 3huz n GLY 88 Ca 0.06 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 3huz n GLY 88 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3huz s ASN 89 N -1.14 4.04 -0.18 1.61 -0.87 -1.20 -4.85 114.94 112.35 3huz s ASN 89 Ca 0.00 -0.55 -0.29 0.00 -1.57 0.00 0.00 52.86 50.45 3huz s ASN 89 Cb 0.00 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.25 40.58 3huz s ASN 89 CO 0.00 0.16 1.55 -0.69 -2.57 0.00 0.00 177.10 175.54 3huz s VAL 90 N -1.31 3.79 -0.14 1.60 1.01 -1.26 -1.22 120.40 122.87 3huz s VAL 90 Ca 0.20 0.92 0.19 0.00 0.00 0.00 0.00 61.98 63.30 3huz s VAL 90 Cb -0.10 -3.73 -0.15 0.00 0.00 0.00 0.00 36.38 32.39 3huz s VAL 90 CO 0.12 -0.24 0.74 -0.62 0.00 0.00 0.00 175.10 175.10 3huz n GLU 91 N 7.37 0.63 -1.90 2.72 -0.58 0.37 -4.93 120.64 124.32 3huz n GLU 91 Ca 0.17 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 3huz n GLU 91 Cb 0.45 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 3huz n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3huz n GLY 92 N 1.35 0.57 3.11 0.62 0.00 -1.05 -5.02 105.19 104.77 3huz n GLY 92 Ca -0.08 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 3huz n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3huz s TYR 93 N -2.81 1.26 0.24 1.61 1.51 -1.26 0.15 117.35 118.04 3huz s TYR 93 Ca 0.00 -0.25 0.06 0.00 -1.01 0.00 0.00 57.07 55.87 3huz s TYR 93 Cb -0.00 -0.80 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 3huz s TYR 93 CO -0.00 -0.01 -0.08 0.14 -1.11 0.00 0.00 175.55 174.49 3huz s VAL 94 N -0.41 1.55 -0.07 0.71 -7.23 0.19 -2.98 120.40 112.16 3huz s VAL 94 Ca 0.05 -2.14 0.04 0.00 -1.81 0.00 0.00 61.98 58.12 3huz s VAL 94 Cb -0.06 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 3huz s VAL 94 CO -0.00 -0.44 -0.17 0.00 -0.31 0.00 0.00 175.10 174.18 3huz s ALA 95 N -3.08 2.51 0.45 1.32 0.00 0.21 -1.10 121.76 122.08 3huz s ALA 95 Ca 0.26 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 3huz s ALA 95 Cb 0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 23.12 22.12 3huz s ALA 95 CO 0.09 0.46 0.94 0.08 0.00 0.00 0.00 175.76 177.33 3huz s VAL 96 N -0.36 4.48 -0.16 0.00 1.01 -1.26 -0.77 120.40 123.34 3huz s VAL 96 Ca 0.03 1.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.21 3huz s VAL 96 Cb -0.12 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.66 3huz s VAL 96 CO 0.02 -0.45 0.41 -0.69 0.00 0.00 0.00 175.10 174.39 3huz s VAL 97 N -2.34 -0.01 0.31 2.92 1.01 -0.93 -4.88 120.40 116.48 3huz s VAL 97 Ca 0.60 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.72 3huz s VAL 97 Cb -0.09 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 3huz s VAL 97 CO 0.21 0.02 -0.13 -0.54 0.00 0.00 0.00 175.10 174.65 3huz s LYS 98 N 0.77 1.71 -0.47 2.72 1.02 -1.26 -1.95 119.74 122.28 3huz s LYS 98 Ca -0.05 -1.84 -0.34 0.00 0.02 0.00 0.00 55.97 53.76 3huz s LYS 98 Cb -0.05 -1.63 -0.13 0.00 -0.52 0.00 0.00 37.83 35.50 3huz s LYS 98 CO -0.06 0.20 2.29 -2.30 -0.92 0.00 0.00 175.35 174.56 3huz n PRO 99 N -0.68 0.83 0.00 -1.68 -0.02 -1.26 -1.77 135.00 130.42 3huz n PRO 99 Ca -0.05 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3huz n PRO 99 Cb 0.62 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3huz n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huz n GLY 100 N 6.56 3.66 3.57 -1.23 0.00 -1.09 -3.64 105.19 113.01 3huz n GLY 100 Ca 0.45 -0.91 -0.49 0.00 0.00 0.00 0.00 46.02 45.08 3huz n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3huz n ARG 101 N 0.00 1.11 -0.25 1.61 3.00 -0.73 -4.27 116.66 117.14 3huz n ARG 101 Ca 0.00 0.40 -0.04 0.00 -0.00 0.00 0.00 57.85 58.20 3huz n ARG 101 Cb 0.00 -1.88 0.03 0.00 0.00 0.00 0.00 32.46 30.61 3huz n ARG 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3huz n VAL 102 N 1.45 0.00 0.00 5.15 0.31 -0.65 -1.84 118.33 122.75 3huz n VAL 102 Ca 0.15 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3huz n VAL 102 Cb 0.24 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 3huz n VAL 102 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3huz n MET 103 N -1.56 0.00 -4.43 5.55 0.00 -0.93 -4.79 117.12 110.96 3huz n MET 103 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.50 3huz n MET 103 Cb 0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 33.22 33.19 3huz n MET 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3huz s PHE 104 N -1.79 1.74 0.00 2.03 0.40 -1.26 -1.04 117.98 118.06 3huz s PHE 104 Ca 0.00 -1.34 0.00 0.00 -0.60 0.00 0.00 56.93 54.99 3huz s PHE 104 Cb 0.00 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.50 3huz s PHE 104 CO 0.00 -0.41 0.00 -0.85 0.70 0.00 0.00 175.22 174.66 3huz n GLU 105 N -0.78 0.00 -3.43 0.44 0.28 -1.22 -1.99 120.64 113.94 3huz n GLU 105 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.76 3huz n GLU 105 Cb 0.65 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.53 3huz n GLU 105 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3huz s VAL 106 N 0.00 2.26 0.23 3.84 -7.23 -1.18 -1.08 120.40 117.24 3huz s VAL 106 Ca 0.00 -1.24 -0.07 0.00 -1.81 0.00 0.00 61.98 58.86 3huz s VAL 106 Cb 0.00 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.47 3huz s VAL 106 CO 0.00 0.00 0.43 0.00 -0.31 0.00 0.00 175.10 175.22 3huz n ALA 107 N -1.85 -0.84 -3.54 1.32 0.00 -0.92 -2.55 120.51 112.12 3huz n ALA 107 Ca 0.06 -0.83 -0.20 0.00 0.00 0.00 0.00 53.44 52.47 3huz n ALA 107 Cb 0.62 0.66 0.06 0.00 0.00 0.00 0.00 19.45 20.79 3huz n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huz n GLY 108 N -0.33 -0.54 0.00 0.00 0.00 -1.26 -3.67 105.19 99.39 3huz n GLY 108 Ca -0.04 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3huz n GLY 108 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huz n VAL 109 N -4.04 0.00 -1.06 1.61 0.31 -1.26 -2.08 118.33 111.82 3huz n VAL 109 Ca -0.24 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.74 3huz n VAL 109 Cb 0.66 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.57 3huz n VAL 109 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3huz n THR 110 N -0.17 1.20 -0.21 2.52 -2.24 -1.26 -4.73 114.28 109.39 3huz n THR 110 Ca 0.00 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 3huz n THR 110 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 3huz n THR 110 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3huz h GLU 111 N 0.60 1.06 -0.29 -0.78 4.81 -2.01 -2.56 114.58 115.40 3huz h GLU 111 Ca -0.24 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 58.60 3huz h GLU 111 Cb 1.11 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3huz h GLU 111 CO 0.41 1.04 -0.05 1.05 -0.73 0.00 0.00 179.01 180.74 3huz h GLU 112 N 0.95 0.46 0.50 1.92 4.11 -2.00 -1.80 114.58 118.73 3huz h GLU 112 Ca 0.17 -0.11 -0.02 0.00 0.07 0.00 0.00 59.36 59.47 3huz h GLU 112 Cb 0.56 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3huz h GLU 112 CO 0.03 0.53 -0.24 1.96 0.07 0.00 0.00 179.01 181.36 3huz h GLN 113 N 0.44 -0.64 -1.42 1.06 4.20 -1.88 -1.89 115.11 114.99 3huz h GLN 113 Ca 0.09 0.04 0.44 0.00 0.06 0.00 0.00 58.65 59.29 3huz h GLN 113 Cb 0.36 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.18 3huz h GLN 113 CO 0.02 -0.43 0.95 0.00 -0.67 0.00 0.00 178.83 178.70 3huz h ALA 114 N -1.53 2.96 0.62 3.87 0.00 -1.36 2.20 119.26 126.02 3huz h ALA 114 Ca -0.07 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3huz h ALA 114 Cb 0.51 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.48 3huz h ALA 114 CO 0.11 -1.54 -0.30 0.52 0.00 0.00 0.00 179.25 178.05 3huz h MET 115 N 0.08 -0.80 0.42 0.00 2.86 -1.15 -1.61 114.93 114.74 3huz h MET 115 Ca 0.81 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 58.48 3huz h MET 115 Cb 2.72 0.18 0.00 0.00 0.06 0.00 0.00 31.60 34.56 3huz h MET 115 CO -0.30 -0.53 -0.20 1.49 1.06 0.00 0.00 176.91 178.43 3huz h GLU 116 N -1.14 -0.55 -1.24 1.72 4.57 0.09 -0.89 114.58 117.15 3huz h GLU 116 Ca -0.08 0.04 0.37 0.00 -1.18 0.00 0.00 59.36 58.50 3huz h GLU 116 Cb 0.63 0.12 -0.10 0.00 -0.16 0.00 0.00 28.75 29.25 3huz h GLU 116 CO 0.14 -0.32 0.82 0.00 -1.18 0.00 0.00 179.01 178.47 3huz h ALA 117 N -0.10 2.67 0.00 2.92 0.00 0.34 2.93 119.26 128.02 3huz h ALA 117 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3huz h ALA 117 Cb 0.48 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3huz h ALA 117 CO 0.10 -1.18 -0.72 -0.07 0.00 0.00 0.00 179.25 177.38 3huz h LEU 118 N 0.18 0.00 -0.03 0.00 3.38 -0.94 -3.21 115.31 114.69 3huz h LEU 118 Ca 0.71 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.59 3huz h LEU 118 Cb 2.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.97 3huz h LEU 118 CO -0.30 0.03 -0.16 -0.09 0.09 0.00 0.00 178.44 178.01 3huz h ARG 119 N 0.00 0.16 -0.87 1.13 2.43 0.65 -0.41 114.38 117.47 3huz h ARG 119 Ca 0.00 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.14 3huz h ARG 119 Cb 0.93 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.45 3huz h ARG 119 CO 0.00 0.79 0.56 0.82 -1.51 0.00 0.00 179.97 180.64 3huz h ILE 120 N -0.44 0.94 0.13 1.20 1.08 -0.85 -3.06 117.51 116.52 3huz h ILE 120 Ca -0.01 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 3huz h ILE 120 Cb 0.83 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 3huz h ILE 120 CO 0.03 0.15 -0.06 0.00 -0.69 0.00 0.00 178.15 177.58 3huz h ALA 121 N 1.57 -0.87 -1.77 1.87 0.00 -1.53 -3.18 119.26 115.35 3huz h ALA 121 Ca 0.41 -0.04 0.51 0.00 0.00 0.00 0.00 54.91 55.80 3huz h ALA 121 Cb 0.47 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3huz h ALA 121 CO -0.18 -0.85 1.37 0.78 0.00 0.00 0.00 179.25 180.37 3huz h GLY 122 N -0.21 0.00 0.96 0.00 0.00 -0.98 0.87 103.07 103.72 3huz h GLY 122 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 3huz h GLY 122 CO 0.03 0.00 -0.50 0.45 0.00 0.00 0.00 176.54 176.52 3huz h HIS 123 N 0.00 0.82 0.00 5.60 -0.00 -1.56 -2.51 115.15 117.50 3huz h HIS 123 Ca 0.84 -0.33 0.00 0.00 -0.00 0.00 0.00 60.37 60.89 3huz h HIS 123 Cb 3.58 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 30.85 3huz h HIS 123 CO 0.00 1.11 0.00 1.63 -0.00 0.00 0.00 177.93 180.67 3huz n LYS 124 N -4.18 0.24 -4.22 2.45 4.76 0.30 -4.56 118.16 112.94 3huz n LYS 124 Ca -0.07 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.08 3huz n LYS 124 Cb 0.59 -1.48 -0.09 0.00 -1.84 0.00 0.00 35.03 32.21 3huz n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3huz s LEU 125 N -1.97 3.10 -0.10 -0.35 1.43 -0.95 -4.76 118.68 115.08 3huz s LEU 125 Ca 0.11 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3huz s LEU 125 Cb 0.05 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.44 3huz s LEU 125 CO 0.09 0.16 2.17 -0.81 0.23 0.00 0.00 176.35 178.18 3huz n PRO 126 N 0.55 1.34 -3.82 1.29 -0.04 -1.26 -4.90 135.00 128.16 3huz n PRO 126 Ca -0.13 -0.58 -0.08 0.00 -0.04 0.00 0.00 63.50 62.67 3huz n PRO 126 Cb 0.53 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 3huz n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3huz s ILE 127 N -0.60 0.01 -0.42 0.52 -4.36 -1.26 -5.03 121.20 110.05 3huz s ILE 127 Ca 0.16 -0.93 -0.25 0.00 -0.26 0.00 0.00 60.65 59.37 3huz s ILE 127 Cb 0.10 -1.85 0.02 0.00 1.25 0.00 0.00 42.46 41.98 3huz s ILE 127 CO -0.01 -0.02 0.90 -0.54 0.24 0.00 0.00 174.94 175.51 3huz s LYS 128 N -3.91 3.64 0.20 0.37 1.02 -1.26 -4.88 119.74 114.92 3huz s LYS 128 Ca 0.12 0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.42 3huz s LYS 128 Cb -0.04 -3.88 0.03 0.00 -0.52 0.00 0.00 37.83 33.43 3huz s LYS 128 CO 0.03 -1.09 0.28 0.25 -0.92 0.00 0.00 175.35 173.90 3huz n THR 129 N 6.20 0.00 -3.48 2.17 -2.24 -1.26 -2.53 114.28 113.13 3huz n THR 129 Ca 0.06 -0.67 -0.11 0.00 -2.27 0.00 0.00 64.05 61.06 3huz n THR 129 Cb 0.48 -0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 3huz n THR 129 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3huz s LYS 130 N -2.92 1.32 0.24 -0.78 2.20 -0.94 -4.90 119.74 113.95 3huz s LYS 130 Ca 0.21 -0.52 0.11 0.00 -0.36 0.00 0.00 55.97 55.40 3huz s LYS 130 Cb -0.02 0.58 -0.05 0.00 -1.51 0.00 0.00 37.83 36.84 3huz s LYS 130 CO 0.13 -0.58 -0.19 0.42 -0.36 0.00 0.00 175.35 174.77 3huz s ILE 131 N -3.73 2.23 0.12 5.43 1.01 -1.26 -0.79 121.20 124.20 3huz s ILE 131 Ca 0.03 -2.28 0.01 0.00 0.00 0.00 0.00 60.65 58.41 3huz s ILE 131 Cb -0.02 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 3huz s ILE 131 CO -0.10 -0.41 0.14 1.33 0.00 0.00 0.00 174.94 175.90 3huz n VAL 132 N -0.38 0.00 0.00 2.92 0.24 -1.14 -4.94 118.33 115.03 3huz n VAL 132 Ca -0.07 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 3huz n VAL 132 Cb 0.59 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 3huz n VAL 132 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3huz n ARG 133 N -0.21 0.00 -3.65 7.34 1.74 -1.26 -3.33 116.66 117.29 3huz n ARG 133 Ca 0.01 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.07 3huz n ARG 133 Cb 0.21 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.58 3huz n ARG 133 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3huz s ARG 134 N 0.70 0.06 0.00 5.56 0.52 -1.26 -4.29 118.95 120.24 3huz s ARG 134 Ca 0.00 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 3huz s ARG 134 Cb 0.00 0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.50 3huz s ARG 134 CO 0.00 -0.01 0.00 -0.40 0.02 0.00 0.00 175.30 174.91 3huz n ASP 135 N 1.66 0.00 0.00 0.23 5.75 -1.26 -4.91 116.55 118.01 3huz n ASP 135 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 3huz n ASP 135 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 3huz n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3huz n ALA 136 N 0.00 1.49 -1.51 2.12 0.00 -1.26 -4.13 120.51 117.22 3huz n ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3huz n ALA 136 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3huz n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3huz n TYR 137 N -0.62 0.00 -1.81 0.00 4.01 -1.26 -5.04 117.16 112.44 3huz n TYR 137 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3huz n TYR 137 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3huz n TYR 137 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3huz n ASP 138 N 0.00 -5.81 -4.37 7.72 8.00 -1.26 -4.73 116.55 116.11 3huz n ASP 138 Ca 0.00 1.25 -0.43 0.00 0.71 0.00 0.00 54.79 56.32 3huz n ASP 138 Cb 0.00 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 3huz n ASP 138 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3huz n GLU 139 N 0.96 3.26 -4.11 -1.24 4.07 -1.26 -4.95 120.64 117.36 3huz n GLU 139 Ca 0.00 -3.42 -0.09 0.00 -0.06 0.00 0.00 57.16 53.59 3huz n GLU 139 Cb 0.00 -3.26 -0.10 0.00 -0.06 0.00 0.00 31.44 28.02 3huz n GLU 139 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3huz s ALA 140 N 2.81 0.70 -1.14 4.31 0.00 -1.26 -5.30 121.76 121.88 3huz s ALA 140 Ca 0.48 -1.36 0.09 0.00 0.00 0.00 0.00 51.96 51.17 3huz s ALA 140 Cb 0.03 0.81 0.07 0.00 0.00 0.00 0.00 23.12 24.04 3huz s ALA 140 CO 0.03 -0.50 0.79 1.04 0.00 0.00 0.00 175.76 177.11