#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz s LYS 2 N 0.00 0.31 -0.81 2.12 1.02 -1.26 -5.02 119.74 116.10 3huz s LYS 2 Ca 0.00 0.16 0.02 0.00 0.02 0.00 0.00 55.97 56.16 3huz s LYS 2 Cb 0.00 -0.71 0.34 0.00 -0.52 0.00 0.00 37.83 36.94 3huz s LYS 2 CO 0.00 -0.83 1.46 2.41 -0.92 0.00 0.00 175.35 177.47 3huz n THR 3 N 5.33 4.54 -0.01 2.17 -1.04 -1.26 -4.88 114.28 119.12 3huz n THR 3 Ca -0.03 -5.65 0.13 0.00 -2.04 0.00 0.00 64.05 56.46 3huz n THR 3 Cb 0.48 -1.45 0.20 0.00 -1.82 0.00 0.00 70.33 67.74 3huz n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3huz n TYR 4 N -0.19 0.00 -0.52 -1.42 4.02 -1.26 -4.77 117.16 113.02 3huz n TYR 4 Ca 0.41 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 58.11 3huz n TYR 4 Cb 0.33 -0.12 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 3huz n TYR 4 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 3huz n VAL 5 N -2.46 0.50 -0.12 -0.72 3.14 -1.26 -4.98 118.33 112.43 3huz n VAL 5 Ca 0.11 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 3huz n VAL 5 Cb 1.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.78 3huz n VAL 5 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3huz n PRO 6 N 0.42 0.82 -1.09 1.45 -0.04 -1.26 -5.13 135.00 130.16 3huz n PRO 6 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3huz n PRO 6 Cb 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 3huz n PRO 6 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3huz n LYS 7 N -0.16 1.12 -1.93 0.54 5.02 -1.26 -5.07 118.16 116.42 3huz n LYS 7 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 3huz n LYS 7 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3huz n LYS 7 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3huz s GLN 8 N -0.64 3.33 0.29 1.97 -0.21 -1.26 -4.96 119.66 118.18 3huz s GLN 8 Ca 0.00 1.56 0.03 0.00 0.02 0.00 0.00 55.36 56.97 3huz s GLN 8 Cb 0.00 -4.22 -0.03 0.00 1.00 0.00 0.00 33.01 29.76 3huz s GLN 8 CO 0.00 -1.87 0.44 0.08 -2.12 0.00 0.00 175.29 171.82 3huz s VAL 9 N 7.05 5.17 -0.53 1.09 1.01 -1.26 -5.04 120.40 127.89 3huz s VAL 9 Ca 0.83 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 3huz s VAL 9 Cb -0.25 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3huz s VAL 9 CO 0.34 -0.42 1.03 -0.70 0.00 0.00 0.00 175.10 175.35 3huz s GLU 10 N -4.13 3.48 0.16 2.72 2.56 -1.26 -4.97 118.70 117.26 3huz s GLU 10 Ca 0.37 0.09 -0.32 0.00 0.00 0.00 0.00 54.97 55.10 3huz s GLU 10 Cb -0.09 -3.99 -0.16 0.00 2.00 0.00 0.00 34.13 31.88 3huz s GLU 10 CO 0.32 -1.47 0.99 -0.35 -0.56 0.00 0.00 175.26 174.19 3huz n PRO 11 N 7.73 0.73 -4.19 4.30 -0.04 -1.26 -4.95 135.00 137.32 3huz n PRO 11 Ca 0.06 0.26 -0.34 0.00 -0.04 0.00 0.00 63.50 63.44 3huz n PRO 11 Cb 0.48 -1.63 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 3huz n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3huz s ARG 12 N -0.58 3.78 0.49 0.54 3.52 -1.26 -4.95 118.95 120.49 3huz s ARG 12 Ca 0.72 -0.45 -0.00 0.00 -0.13 0.00 0.00 55.73 55.87 3huz s ARG 12 Cb -0.92 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 3huz s ARG 12 CO 0.55 0.21 0.72 -1.58 -0.81 0.00 0.00 175.30 174.39 3huz s TRP 13 N 0.49 3.16 -0.22 5.12 0.52 -1.26 0.61 118.94 127.36 3huz s TRP 13 Ca -0.00 0.24 -0.12 0.00 0.02 0.00 0.00 56.10 56.24 3huz s TRP 13 Cb -0.14 -2.45 0.07 0.00 -1.15 0.00 0.00 33.47 29.81 3huz s TRP 13 CO 0.02 -0.51 0.53 0.08 0.02 0.00 0.00 176.95 177.09 3huz s VAL 14 N -2.65 -0.08 0.44 4.03 1.01 -0.04 -4.04 120.40 119.07 3huz s VAL 14 Ca 0.51 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.48 3huz s VAL 14 Cb -0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3huz s VAL 14 CO 0.39 0.02 0.74 -0.22 0.00 0.00 0.00 175.10 176.03 3huz s LEU 15 N 1.61 3.74 -0.29 3.92 1.98 -1.21 0.01 118.68 128.45 3huz s LEU 15 Ca -0.09 0.92 -0.16 0.00 -2.89 0.00 0.00 54.13 51.91 3huz s LEU 15 Cb -0.07 -3.83 0.13 0.00 0.66 0.00 0.00 46.19 43.07 3huz s LEU 15 CO -0.16 -0.48 0.91 -0.51 -1.89 0.00 0.00 176.35 174.22 3huz s ILE 16 N -2.57 -0.04 -0.02 6.68 2.07 -0.84 -2.02 121.20 124.46 3huz s ILE 16 Ca 0.47 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.75 3huz s ILE 16 Cb -0.10 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.48 3huz s ILE 16 CO 0.40 0.00 -0.14 -0.62 -1.91 0.00 0.00 174.94 172.66 3huz s ASP 17 N 1.48 1.74 -0.10 4.50 3.68 -1.26 -0.13 116.67 126.58 3huz s ASP 17 Ca -0.09 -0.27 0.13 0.00 2.13 0.00 0.00 52.55 54.45 3huz s ASP 17 Cb -0.04 -0.29 0.28 0.00 -1.45 0.00 0.00 42.92 41.41 3huz s ASP 17 CO -0.16 0.16 1.17 0.00 0.13 0.00 0.00 175.17 176.47 3huz n ALA 18 N 2.89 3.02 -0.23 3.66 0.00 -1.26 -4.72 120.51 123.87 3huz n ALA 18 Ca -0.16 -1.53 0.13 0.00 0.00 0.00 0.00 53.44 51.88 3huz n ALA 18 Cb 0.54 -0.62 0.24 0.00 0.00 0.00 0.00 19.45 19.61 3huz n ALA 18 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3huz n GLU 19 N -0.23 -0.05 -0.68 0.00 0.28 -1.26 0.22 120.64 118.92 3huz n GLU 19 Ca -0.11 1.01 0.06 0.00 -0.16 0.00 0.00 57.16 57.96 3huz n GLU 19 Cb 0.88 -1.64 0.32 0.00 1.43 0.00 0.00 31.44 32.43 3huz n GLU 19 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3huz n GLY 20 N -1.31 2.59 3.94 -1.84 0.00 -1.26 -1.99 105.19 105.33 3huz n GLY 20 Ca 0.18 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 3huz n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3huz s LYS 21 N -2.28 3.42 -0.33 1.61 2.20 0.60 -4.71 119.74 120.27 3huz s LYS 21 Ca 0.44 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 3huz s LYS 21 Cb 0.32 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 3huz s LYS 21 CO 0.15 0.53 1.37 0.99 -0.36 0.00 0.00 175.35 178.03 3huz s THR 22 N -1.72 4.01 0.91 3.43 2.01 -1.26 -0.69 115.64 122.33 3huz s THR 22 Ca 0.34 1.11 -0.12 0.00 0.31 0.00 0.00 61.69 63.34 3huz s THR 22 Cb -0.11 -4.12 0.09 0.00 0.01 0.00 0.00 72.50 68.37 3huz s THR 22 CO 0.28 -0.54 0.86 0.00 -0.69 0.00 0.00 174.62 174.53 3huz n LEU 23 N 8.10 2.05 0.00 4.42 -0.00 -0.83 -1.82 117.00 128.92 3huz n LEU 23 Ca 0.16 0.41 0.00 0.00 -0.00 0.00 0.00 56.01 56.58 3huz n LEU 23 Cb 0.47 -1.37 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 3huz n LEU 23 CO 0.66 -2.69 0.00 0.61 -0.00 0.00 0.00 177.39 175.97 3huz n GLY 24 N 0.81 2.20 0.26 1.47 0.00 -1.26 -4.32 105.19 104.34 3huz n GLY 24 Ca 0.10 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.87 3huz n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3huz h ARG 25 N 0.00 0.00 0.00 1.61 2.47 -1.77 0.60 114.38 117.30 3huz h ARG 25 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3huz h ARG 25 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3huz h ARG 25 CO 0.00 0.14 -0.60 -0.11 0.56 0.00 0.00 179.97 179.96 3huz n LEU 26 N -3.58 1.78 -0.39 3.04 7.94 -0.92 -4.28 117.00 120.59 3huz n LEU 26 Ca -0.01 0.56 0.32 0.00 -1.11 0.00 0.00 56.01 55.76 3huz n LEU 26 Cb 0.27 -0.83 0.61 0.00 0.53 0.00 0.00 43.42 44.01 3huz n LEU 26 CO 0.31 -0.43 1.25 0.00 -1.11 0.00 0.00 177.39 177.40 3huz h ALA 27 N -1.03 2.64 0.21 1.96 0.00 -1.81 -1.23 119.26 119.99 3huz h ALA 27 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3huz h ALA 27 Cb 0.60 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3huz h ALA 27 CO 0.00 -1.14 -0.21 0.00 0.00 0.00 0.00 179.25 177.90 3huz h THR 28 N 0.19 0.00 -0.43 0.00 1.03 0.03 -1.19 112.91 112.54 3huz h THR 28 Ca 0.70 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 67.18 3huz h THR 28 Cb 2.17 0.00 -0.06 0.00 -1.07 0.00 0.00 68.15 69.19 3huz h THR 28 CO -0.30 0.00 0.06 0.11 -0.01 0.00 0.00 175.52 175.38 3huz h LYS 29 N -0.41 0.18 -0.81 0.00 1.57 -1.45 0.52 116.57 116.18 3huz h LYS 29 Ca -0.03 -0.01 0.23 0.00 -1.87 0.00 0.00 60.65 58.98 3huz h LYS 29 Cb 0.36 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3huz h LYS 29 CO -0.03 0.12 0.64 0.82 -0.57 0.00 0.00 179.45 180.44 3huz h ILE 30 N 0.19 0.46 0.03 1.86 2.04 -1.18 0.74 117.51 121.64 3huz h ILE 30 Ca 0.21 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.87 3huz h ILE 30 Cb 0.28 0.53 0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3huz h ILE 30 CO -0.30 0.00 -0.79 0.00 0.00 0.00 0.00 178.15 177.06 3huz h ALA 31 N 1.47 0.06 -0.21 1.87 0.00 0.13 0.17 119.26 122.74 3huz h ALA 31 Ca 0.38 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3huz h ALA 31 Cb 1.67 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3huz h ALA 31 CO -0.00 0.46 -0.04 1.15 0.00 0.00 0.00 179.25 180.82 3huz h THR 32 N 0.01 1.28 -0.75 0.00 2.02 0.30 0.59 112.91 116.36 3huz h THR 32 Ca -0.11 -1.01 0.03 0.00 0.77 0.00 0.00 66.41 66.09 3huz h THR 32 Cb 1.50 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 69.37 3huz h THR 32 CO 0.15 0.31 0.48 0.25 0.37 0.00 0.00 175.52 177.08 3huz h LEU 33 N 0.14 0.79 0.39 2.58 5.85 0.25 -2.57 115.31 122.74 3huz h LEU 33 Ca 0.06 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3huz h LEU 33 Cb 0.48 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3huz h LEU 33 CO 0.02 0.55 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.41 3huz h LEU 34 N 0.94 -0.44-10.11 2.25 4.07 -0.20 -3.05 115.31 108.76 3huz h LEU 34 Ca 0.30 -0.07 -0.55 0.00 0.08 0.00 0.00 57.88 57.64 3huz h LEU 34 Cb -0.01 0.11 0.15 0.00 1.08 0.00 0.00 40.66 42.00 3huz h LEU 34 CO -0.10 -0.20 0.50 -0.13 -1.08 0.00 0.00 178.44 177.43 3huz s ARG 35 N -5.46 2.57 0.00 1.13 0.52 0.20 -3.91 118.95 114.00 3huz s ARG 35 Ca -0.15 2.00 -0.04 0.00 -0.52 0.00 0.00 55.73 57.02 3huz s ARG 35 Cb 0.03 -1.86 -0.16 0.00 0.52 0.00 0.00 34.95 33.49 3huz s ARG 35 CO 0.59 -1.56 2.82 0.41 0.02 0.00 0.00 175.30 177.58 3huz n GLY 36 N 0.80 2.65 0.03 -3.53 0.00 -1.25 -4.22 105.19 99.68 3huz n GLY 36 Ca 0.15 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.57 3huz n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3huz n LYS 37 N 2.19 0.48 0.00 1.61 4.81 -1.23 -4.06 118.16 121.96 3huz n LYS 37 Ca 0.26 -0.08 0.14 0.00 -0.87 0.00 0.00 58.31 57.76 3huz n LYS 37 Cb 0.71 -1.58 0.59 0.00 0.02 0.00 0.00 35.03 34.76 3huz n LYS 37 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3huz n HIS 38 N -2.16 0.00 -5.04 5.64 1.44 -1.26 -4.84 115.22 109.01 3huz n HIS 38 Ca -0.01 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.38 3huz n HIS 38 Cb 0.51 -0.31 -0.15 0.00 0.12 0.00 0.00 29.99 30.15 3huz n HIS 38 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3huz s ARG 39 N -2.74 2.67 0.00 -1.40 1.70 -1.26 -5.01 118.95 112.91 3huz s ARG 39 Ca 0.22 -0.79 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 3huz s ARG 39 Cb 0.19 -2.32 0.00 0.00 -0.57 0.00 0.00 34.95 32.25 3huz s ARG 39 CO 0.52 0.45 0.55 -0.35 -1.08 0.00 0.00 175.30 175.39 3huz n PRO 40 N 2.80 0.00 0.00 3.89 -0.04 -1.26 -2.61 135.00 137.78 3huz n PRO 40 Ca -0.17 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3huz n PRO 40 Cb 0.52 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 3huz n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3huz n ASP 41 N -1.05 0.00 -1.82 3.54 9.92 -1.26 -5.05 116.55 120.83 3huz n ASP 41 Ca 0.00 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 3huz n ASP 41 Cb 0.30 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 3huz n ASP 41 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 3huz n TRP 42 N -0.55 -4.30 -2.85 1.24 -0.00 -1.07 -4.95 117.44 104.95 3huz n TRP 42 Ca 0.00 2.25 -0.02 0.00 -0.00 0.00 0.00 57.50 59.73 3huz n TRP 42 Cb 0.00 -3.34 0.01 0.00 -0.00 0.00 0.00 31.31 27.98 3huz n TRP 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 3huz s THR 43 N -2.34 -0.79 0.15 5.87 2.01 -1.26 -4.91 115.64 114.35 3huz s THR 43 Ca 0.00 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.47 3huz s THR 43 Cb 0.00 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.51 3huz s THR 43 CO 0.00 0.00 0.63 -0.81 -0.69 0.00 0.00 174.62 173.75 3huz n PRO 44 N 3.30 0.01 -2.68 4.92 -0.04 -1.26 -1.36 135.00 137.89 3huz n PRO 44 Ca 0.14 0.23 -0.27 0.00 -0.04 0.00 0.00 63.50 63.56 3huz n PRO 44 Cb 0.58 -2.13 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 3huz n PRO 44 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3huz n ASN 45 N -1.36 4.64 0.00 3.54 2.04 -1.26 -4.76 115.26 118.10 3huz n ASN 45 Ca -0.00 -3.71 0.00 0.00 -0.44 0.00 0.00 54.58 50.43 3huz n ASN 45 Cb 0.61 -0.51 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 3huz n ASN 45 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 3huz n VAL 46 N -0.38 0.00 -2.44 3.53 3.14 -0.46 -5.09 118.33 116.63 3huz n VAL 46 Ca 0.36 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.69 3huz n VAL 46 Cb 0.54 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.32 3huz n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3huz n ALA 47 N -0.49 -2.84 -3.58 1.55 0.00 -1.26 -4.99 120.51 108.90 3huz n ALA 47 Ca 0.00 0.63 -0.27 0.00 0.00 0.00 0.00 53.44 53.80 3huz n ALA 47 Cb 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 3huz n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huz n MET 48 N -0.60 1.35 0.00 0.00 0.00 -1.26 -5.00 117.12 111.60 3huz n MET 48 Ca 0.06 -3.99 0.00 0.00 0.00 0.00 0.00 57.70 53.78 3huz n MET 48 Cb 0.35 -1.97 0.00 0.00 0.00 0.00 0.00 33.22 31.60 3huz n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3huz n GLY 49 N 1.93 4.98 2.94 3.17 0.00 -1.26 -3.81 105.19 113.14 3huz n GLY 49 Ca 0.25 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 3huz n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3huz s ASP 50 N 0.86 3.31 -0.51 1.61 1.11 -1.15 -4.11 116.67 117.79 3huz s ASP 50 Ca 0.00 -0.88 -0.26 0.00 0.18 0.00 0.00 52.55 51.58 3huz s ASP 50 Cb 0.00 -1.10 -0.05 0.00 1.07 0.00 0.00 42.92 42.83 3huz s ASP 50 CO 0.00 -0.18 2.21 -0.36 1.18 0.00 0.00 175.17 178.02 3huz s PHE 51 N 1.48 1.28 0.10 4.23 0.40 0.20 -4.62 117.98 121.05 3huz s PHE 51 Ca -0.02 1.25 -0.19 0.00 -0.60 0.00 0.00 56.93 57.38 3huz s PHE 51 Cb -0.17 -3.77 -0.07 0.00 0.51 0.00 0.00 43.02 39.52 3huz s PHE 51 CO -0.08 -2.54 0.58 0.08 0.70 0.00 0.00 175.22 173.97 3huz s VAL 52 N 10.90 4.73 -0.33 -0.44 1.01 -0.37 -0.86 120.40 135.04 3huz s VAL 52 Ca 0.87 1.18 0.01 0.00 0.00 0.00 0.00 61.98 64.04 3huz s VAL 52 Cb -0.16 -3.88 0.10 0.00 0.00 0.00 0.00 36.38 32.44 3huz s VAL 52 CO 0.25 0.48 0.09 -0.69 0.00 0.00 0.00 175.10 175.22 3huz s VAL 53 N -1.20 1.40 -0.24 2.92 1.01 0.10 -2.33 120.40 122.06 3huz s VAL 53 Ca 0.32 -1.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.21 3huz s VAL 53 Cb -0.19 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3huz s VAL 53 CO 0.19 -0.66 1.13 -0.69 0.00 0.00 0.00 175.10 175.07 3huz s VAL 54 N 1.30 4.49 0.23 2.92 1.01 -1.09 -1.98 120.40 127.28 3huz s VAL 54 Ca 0.11 1.77 0.05 0.00 0.00 0.00 0.00 61.98 63.91 3huz s VAL 54 Cb -0.18 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 3huz s VAL 54 CO -0.18 -0.28 0.31 -0.69 0.00 0.00 0.00 175.10 174.26 3huz s VAL 55 N 3.51 5.05 -0.73 2.92 1.01 0.82 -0.41 120.40 132.57 3huz s VAL 55 Ca 0.48 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3huz s VAL 55 Cb -0.16 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.51 3huz s VAL 55 CO 0.12 -0.30 0.64 -3.20 0.00 0.00 0.00 175.10 172.36 3huz n ASN 56 N -1.22 -5.86 -0.11 3.32 4.05 -1.14 -4.46 115.26 109.83 3huz n ASN 56 Ca -0.08 -0.54 0.00 0.00 0.45 0.00 0.00 54.58 54.41 3huz n ASN 56 Cb 0.57 -2.80 0.00 0.00 1.23 0.00 0.00 39.78 38.78 3huz n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3huz n ALA 57 N -1.92 0.00 0.00 5.20 0.00 0.56 -4.24 120.51 120.11 3huz n ALA 57 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3huz n ALA 57 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3huz n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3huz n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.30 116.55 116.74 3huz n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3huz n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3huz n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3huz n LYS 59 N 0.00 0.00 -0.77 0.11 4.76 -1.26 -4.78 118.16 116.22 3huz n LYS 59 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 3huz n LYS 59 Cb 0.00 -0.42 -0.02 0.00 -1.84 0.00 0.00 35.03 32.76 3huz n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3huz n ILE 60 N 0.00 1.00 -3.42 -0.18 5.41 -0.84 -4.70 119.36 116.62 3huz n ILE 60 Ca 0.00 -0.25 -0.23 0.00 1.00 0.00 0.00 62.75 63.27 3huz n ILE 60 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 3huz n ILE 60 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3huz s ARG 61 N -0.50 3.40 -0.24 0.38 1.81 0.14 -4.93 118.95 119.02 3huz s ARG 61 Ca 0.37 -0.46 -0.08 0.00 -1.72 0.00 0.00 55.73 53.84 3huz s ARG 61 Cb -0.53 -2.69 0.11 0.00 -0.45 0.00 0.00 34.95 31.39 3huz s ARG 61 CO 0.31 0.13 0.51 0.54 -0.68 0.00 0.00 175.30 176.11 3huz s VAL 62 N -2.29 -0.79 1.13 3.52 0.11 -1.26 -1.97 120.40 118.85 3huz s VAL 62 Ca 0.40 0.10 -0.13 0.00 -2.93 0.00 0.00 61.98 59.42 3huz s VAL 62 Cb -0.10 -0.80 0.26 0.00 -1.53 0.00 0.00 36.38 34.22 3huz s VAL 62 CO 0.35 0.04 1.04 0.42 -3.33 0.00 0.00 175.10 173.62 3huz s THR 63 N 2.72 1.99 0.00 5.04 -4.23 -1.26 -4.65 115.64 115.25 3huz s THR 63 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 3huz s THR 63 Cb -0.12 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.51 3huz s THR 63 CO -0.15 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3huz n GLY 64 N 0.17 -0.22 1.54 3.99 0.00 -1.26 -2.82 105.19 106.59 3huz n GLY 64 Ca 0.03 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 3huz n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3huz n LYS 65 N -0.85 1.41 0.00 1.61 5.02 -1.26 -4.62 118.16 119.46 3huz n LYS 65 Ca 0.00 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.42 3huz n LYS 65 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3huz n LYS 65 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3huz n LYS 66 N 0.45 0.00 -3.81 1.97 5.02 -1.13 -3.38 118.16 117.29 3huz n LYS 66 Ca 0.17 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.18 3huz n LYS 66 Cb 0.68 -1.31 -0.12 0.00 -0.02 0.00 0.00 35.03 34.27 3huz n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3huz s LEU 67 N -1.50 4.18 0.00 -0.35 1.02 -1.26 -3.16 118.68 117.61 3huz s LEU 67 Ca 0.00 -3.70 0.00 0.00 0.02 0.00 0.00 54.13 50.45 3huz s LEU 67 Cb 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 46.19 44.80 3huz s LEU 67 CO 0.00 -0.10 0.00 -0.62 0.02 0.00 0.00 176.35 175.65 3huz n GLU 68 N 2.14 0.00 0.00 1.70 -0.58 -1.22 -4.66 120.64 118.02 3huz n GLU 68 Ca 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 3huz n GLU 68 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 3huz n GLU 68 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3huz n GLN 69 N 0.00 3.58 -2.90 3.49 6.02 -1.24 -5.05 117.38 121.28 3huz n GLN 69 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 3huz n GLN 69 Cb 0.00 -0.30 -0.04 0.00 1.02 0.00 0.00 30.24 30.92 3huz n GLN 69 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3huz s LYS 70 N 0.00 4.51 -0.03 -1.09 2.47 -1.19 -5.02 119.74 119.39 3huz s LYS 70 Ca 0.00 1.14 0.02 0.00 -1.56 0.00 0.00 55.97 55.57 3huz s LYS 70 Cb 0.00 -3.42 0.01 0.00 -1.46 0.00 0.00 37.83 32.95 3huz s LYS 70 CO 0.00 0.11 -0.08 0.42 0.16 0.00 0.00 175.35 175.95 3huz s ILE 71 N 0.55 0.75 -0.21 5.43 1.01 -1.26 -2.14 121.20 125.33 3huz s ILE 71 Ca 0.43 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 3huz s ILE 71 Cb -0.20 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 3huz s ILE 71 CO 0.23 0.24 0.09 -0.31 0.00 0.00 0.00 174.94 175.20 3huz s TYR 72 N 0.27 3.25 -0.11 3.97 1.51 0.50 -4.96 117.35 121.78 3huz s TYR 72 Ca -0.04 0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.07 3huz s TYR 72 Cb -0.09 -2.16 -0.02 0.00 -0.11 0.00 0.00 41.96 39.57 3huz s TYR 72 CO 0.01 0.05 -0.11 0.99 -1.11 0.00 0.00 175.55 175.37 3huz s THR 73 N 0.77 3.25 -0.07 -0.71 2.01 -1.26 -1.60 115.64 118.04 3huz s THR 73 Ca 0.05 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.47 3huz s THR 73 Cb -0.13 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 70.03 3huz s THR 73 CO 0.02 0.54 -0.17 -0.13 -0.69 0.00 0.00 174.62 174.20 3huz s ARG 74 N -0.02 2.09 -0.21 4.92 0.52 -1.09 -4.96 118.95 120.19 3huz s ARG 74 Ca -0.02 -0.59 -0.02 0.00 -0.52 0.00 0.00 55.73 54.58 3huz s ARG 74 Cb -0.14 -1.69 0.01 0.00 0.52 0.00 0.00 34.95 33.65 3huz s ARG 74 CO 0.04 0.12 -0.10 -0.47 0.02 0.00 0.00 175.30 174.91 3huz s TYR 75 N 0.43 2.91 -0.85 -0.53 5.04 -1.26 -0.40 117.35 122.69 3huz s TYR 75 Ca -0.13 -1.28 -0.10 0.00 -2.44 0.00 0.00 57.07 53.11 3huz s TYR 75 Cb -0.15 -2.03 0.22 0.00 0.35 0.00 0.00 41.96 40.34 3huz s TYR 75 CO 0.05 -0.67 0.77 -1.54 -1.34 0.00 0.00 175.55 172.82 3huz s SER 76 N 1.39 6.54 0.00 4.32 1.04 -1.25 -4.98 113.70 120.76 3huz s SER 76 Ca 0.05 -2.95 0.00 0.00 0.48 0.00 0.00 55.95 53.53 3huz s SER 76 Cb -0.14 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.85 3huz s SER 76 CO -0.07 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.30 3huz n GLY 77 N 3.56 0.00 3.42 7.32 0.00 -1.26 -4.64 105.19 113.58 3huz n GLY 77 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3huz n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3huz n TYR 78 N 0.00 -1.12 -1.71 1.61 4.02 -1.26 -4.88 117.16 113.81 3huz n TYR 78 Ca 0.00 0.48 -0.41 0.00 -0.01 0.00 0.00 57.90 57.96 3huz n TYR 78 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 39.34 37.42 3huz n TYR 78 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3huz n PRO 79 N 0.44 2.08 -3.32 -0.72 -0.02 -1.26 -2.75 135.00 129.45 3huz n PRO 79 Ca 0.11 0.73 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 3huz n PRO 79 Cb 0.45 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3huz n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huz n GLY 80 N 0.76 -1.22 0.00 -1.23 0.00 -1.26 -4.95 105.19 97.28 3huz n GLY 80 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3huz n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huz n GLY 81 N -1.68 0.80 3.65 -0.02 0.00 -1.11 -5.05 105.19 101.78 3huz n GLY 81 Ca -0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.47 3huz n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3huz n LEU 82 N -1.03 2.78 -4.40 0.99 7.94 -1.26 -3.86 117.00 118.16 3huz n LEU 82 Ca 0.00 1.14 -0.33 0.00 -1.11 0.00 0.00 56.01 55.71 3huz n LEU 82 Cb 0.00 -1.38 -0.14 0.00 0.53 0.00 0.00 43.42 42.43 3huz n LEU 82 CO 0.00 -0.66 -0.46 -0.54 -1.11 0.00 0.00 177.39 174.63 3huz s LYS 83 N -0.39 3.05 -0.56 1.96 -0.14 0.46 -4.97 119.74 119.14 3huz s LYS 83 Ca 0.69 -0.70 0.00 0.00 -1.36 0.00 0.00 55.97 54.60 3huz s LYS 83 Cb -0.69 -2.52 0.14 0.00 -1.68 0.00 0.00 37.83 33.09 3huz s LYS 83 CO 0.50 0.36 0.34 0.15 -0.76 0.00 0.00 175.35 175.94 3huz s LYS 84 N -0.03 2.27 -0.32 1.68 1.02 -1.26 -2.69 119.74 120.40 3huz s LYS 84 Ca -0.04 -2.51 -0.16 0.00 0.02 0.00 0.00 55.97 53.29 3huz s LYS 84 Cb -0.14 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 3huz s LYS 84 CO 0.04 -1.13 0.41 0.42 -0.92 0.00 0.00 175.35 174.16 3huz s ILE 85 N -0.06 5.13 0.56 2.17 1.01 -0.63 -4.93 121.20 124.46 3huz s ILE 85 Ca 0.16 0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.95 3huz s ILE 85 Cb -0.22 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3huz s ILE 85 CO -0.02 -0.04 1.04 -2.84 0.00 0.00 0.00 174.94 173.08 3huz s PRO 86 N 2.14 3.50 0.13 2.79 0.02 -1.26 -0.37 135.00 141.94 3huz s PRO 86 Ca 0.15 1.19 -0.29 0.00 0.02 0.00 0.00 61.00 62.07 3huz s PRO 86 Cb -0.16 -2.06 -0.07 0.00 0.02 0.00 0.00 34.50 32.23 3huz s PRO 86 CO 0.11 -0.66 1.59 1.25 -0.33 0.00 0.00 177.00 178.96 3huz h LEU 87 N 0.70 -1.27 -0.75 -5.54 6.46 -1.70 -1.24 115.31 111.97 3huz h LEU 87 Ca -0.47 0.16 0.07 0.00 -0.12 0.00 0.00 57.88 57.52 3huz h LEU 87 Cb 1.21 0.51 -0.09 0.00 -0.73 0.00 0.00 40.66 41.56 3huz h LEU 87 CO 0.58 -0.44 -0.44 -0.62 -0.62 0.00 0.00 178.44 176.90 3huz n GLU 88 N -5.44 -0.33 -0.34 1.25 1.02 -1.26 -0.22 120.64 115.32 3huz n GLU 88 Ca -0.05 1.35 0.08 0.00 -0.02 0.00 0.00 57.16 58.52 3huz n GLU 88 Cb 0.36 -1.99 0.24 0.00 -0.02 0.00 0.00 31.44 30.03 3huz n GLU 88 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3huz h LYS 89 N 0.00 0.81 -0.74 3.49 1.79 -1.83 0.62 116.57 120.71 3huz h LYS 89 Ca 0.12 -0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.61 3huz h LYS 89 Cb 0.31 -0.18 -0.06 0.00 -1.58 0.00 0.00 32.23 30.71 3huz h LYS 89 CO -0.70 0.54 0.42 0.52 -1.08 0.00 0.00 179.45 179.14 3huz h MET 90 N 0.83 0.73 -0.20 3.15 2.86 0.60 -2.09 114.93 120.81 3huz h MET 90 Ca 0.49 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 58.05 3huz h MET 90 Cb 0.60 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3huz h MET 90 CO -0.31 0.48 -0.04 -0.07 1.06 0.00 0.00 176.91 178.03 3huz h LEU 91 N 0.75 0.39 -1.09 1.22 3.38 0.21 -2.11 115.31 118.06 3huz h LEU 91 Ca 0.34 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3huz h LEU 91 Cb 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3huz h LEU 91 CO -0.21 0.66 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3huz n ALA 92 N -2.36 1.88 0.00 1.53 0.00 0.17 -4.08 120.51 117.65 3huz n ALA 92 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3huz n ALA 92 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3huz n ALA 92 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3huz n THR 93 N 0.26 0.00 -2.31 0.00 5.66 -1.02 -4.99 114.28 111.87 3huz n THR 93 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 3huz n THR 93 Cb 0.16 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 3huz n THR 93 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3huz n HIS 94 N 0.00 -0.48 -0.05 1.09 8.25 -1.23 -4.36 115.22 118.44 3huz n HIS 94 Ca 0.00 0.08 0.17 0.00 -0.26 0.00 0.00 57.72 57.71 3huz n HIS 94 Cb 0.00 -2.04 0.60 0.00 1.12 0.00 0.00 29.99 29.67 3huz n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3huz h PRO 95 N -0.22 0.19 0.00 -0.41 0.13 -1.53 -1.66 132.00 128.49 3huz h PRO 95 Ca -0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3huz h PRO 95 Cb 1.12 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3huz h PRO 95 CO 0.19 0.12 0.35 1.05 -0.23 0.00 0.00 178.00 179.48 3huz h GLU 96 N 0.19 0.00 0.00 0.86 9.09 -1.92 -1.39 114.58 121.41 3huz h GLU 96 Ca 0.28 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.63 3huz h GLU 96 Cb 0.86 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.95 3huz h GLU 96 CO -0.05 0.00 -0.36 0.00 0.05 0.00 0.00 179.01 178.65 3huz h ARG 97 N 0.00 0.00 -0.50 1.06 3.08 -1.65 -2.18 114.38 114.19 3huz h ARG 97 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 3huz h ARG 97 Cb 0.71 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.66 3huz h ARG 97 CO 0.00 0.82 0.12 0.28 -1.07 0.00 0.00 179.97 180.11 3huz n VAL 98 N -4.59 -0.21 0.03 2.04 0.31 -0.52 0.27 118.33 115.65 3huz n VAL 98 Ca -0.14 1.07 -0.21 0.00 -0.01 0.00 0.00 64.34 65.05 3huz n VAL 98 Cb 0.46 -1.64 -0.14 0.00 -0.91 0.00 0.00 33.84 31.61 3huz n VAL 98 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3huz h LEU 99 N 0.00 0.44 -1.40 7.52 7.12 -1.68 -2.93 115.31 124.38 3huz h LEU 99 Ca 0.36 -0.86 -0.04 0.00 0.13 0.00 0.00 57.88 57.46 3huz h LEU 99 Cb 0.84 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.81 3huz h LEU 99 CO -0.44 1.76 -0.07 -0.33 -0.13 0.00 0.00 178.44 179.23 3huz h GLU 100 N 0.08 0.32 0.00 1.25 5.08 0.44 -0.11 114.58 121.64 3huz h GLU 100 Ca -0.38 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3huz h GLU 100 Cb 2.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.25 3huz h GLU 100 CO 0.12 0.40 -0.45 1.58 -1.00 0.00 0.00 179.01 179.66 3huz n HIS 101 N -4.30 0.30 0.06 4.33 -0.00 0.44 -2.30 115.22 113.75 3huz n HIS 101 Ca -0.00 0.09 -0.05 0.00 0.46 0.00 0.00 57.72 58.21 3huz n HIS 101 Cb 0.24 -0.51 -0.10 0.00 -0.12 0.00 0.00 29.99 29.51 3huz n HIS 101 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3huz h ALA 102 N 2.76 0.47 0.08 1.57 0.00 -0.89 -3.31 119.26 119.93 3huz h ALA 102 Ca 0.00 -0.90 -0.34 0.00 0.00 0.00 0.00 54.91 53.67 3huz h ALA 102 Cb 0.62 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3huz h ALA 102 CO 0.00 1.18 -1.88 0.28 0.00 0.00 0.00 179.25 178.83 3huz n VAL 103 N -3.28 1.69 -0.24 0.00 0.31 -0.25 -4.19 118.33 112.37 3huz n VAL 103 Ca -0.02 -0.48 0.03 0.00 -0.01 0.00 0.00 64.34 63.87 3huz n VAL 103 Cb 0.92 -1.79 0.16 0.00 -0.91 0.00 0.00 33.84 32.21 3huz n VAL 103 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3huz h LYS 104 N -0.26 0.38 -2.20 5.55 3.64 -1.64 0.44 116.57 122.49 3huz h LYS 104 Ca -0.43 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.87 3huz h LYS 104 Cb 1.82 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.53 3huz h LYS 104 CO -0.03 0.25 -0.02 0.41 -2.27 0.00 0.00 179.45 177.80 3huz n GLY 105 N -1.32 1.96 0.00 5.01 0.00 -1.25 -1.56 105.19 108.03 3huz n GLY 105 Ca 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3huz n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3huz n MET 106 N 2.20 0.00 -3.01 1.61 2.81 0.12 -5.02 117.12 115.84 3huz n MET 106 Ca 0.13 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.70 3huz n MET 106 Cb 0.43 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.89 3huz n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3huz s LEU 107 N 0.00 3.97 0.86 4.03 1.43 -0.60 -5.01 118.68 123.36 3huz s LEU 107 Ca 0.00 1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 54.19 3huz s LEU 107 Cb 0.00 -4.09 -0.10 0.00 0.03 0.00 0.00 46.19 42.04 3huz s LEU 107 CO 0.00 -0.29 -0.24 -2.65 0.23 0.00 0.00 176.35 173.41 3huz n PRO 108 N -0.73 -0.01 0.00 1.29 -0.02 -1.26 -4.88 135.00 129.39 3huz n PRO 108 Ca 0.03 0.01 0.13 0.00 -2.02 0.00 0.00 63.50 61.65 3huz n PRO 108 Cb 0.53 -1.30 0.34 0.00 -0.02 0.00 0.00 33.50 33.05 3huz n PRO 108 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3huz n LYS 109 N 0.98 0.36 -0.04 -0.52 5.02 -1.26 -4.20 118.16 118.50 3huz n LYS 109 Ca 0.03 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3huz n LYS 109 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 3huz n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3huz n GLY 110 N 1.42 -0.29 0.24 0.72 0.00 -1.26 -4.84 105.19 101.19 3huz n GLY 110 Ca 0.09 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 3huz n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3huz h PRO 111 N 0.00 -0.48 -0.29 1.61 0.11 -2.01 -1.61 132.00 129.34 3huz h PRO 111 Ca 0.00 0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.23 3huz h PRO 111 Cb 0.00 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3huz h PRO 111 CO 0.00 -0.32 0.26 1.25 -0.21 0.00 0.00 178.00 178.98 3huz h LEU 112 N -0.49 0.00 0.00 2.35 6.46 -1.94 0.41 115.31 122.10 3huz h LEU 112 Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 3huz h LEU 112 Cb 0.41 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3huz h LEU 112 CO 0.03 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.46 3huz n GLY 113 N -1.50 -0.73 0.00 3.75 0.00 -0.61 -2.14 105.19 103.96 3huz n GLY 113 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3huz n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz n ARG 114 N -0.74 3.21 0.23 1.61 1.74 0.14 -4.42 116.66 118.42 3huz n ARG 114 Ca 0.09 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.27 3huz n ARG 114 Cb 0.04 -0.94 0.54 0.00 -1.02 0.00 0.00 32.46 31.08 3huz n ARG 114 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3huz h ARG 115 N 0.00 0.00 0.17 5.56 1.12 -1.08 -2.79 114.38 117.36 3huz h ARG 115 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 3huz h ARG 115 Cb 0.78 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.74 3huz h ARG 115 CO 0.00 0.20 -0.08 -0.07 -3.11 0.00 0.00 179.97 176.91 3huz h LEU 116 N 0.00 -0.19 -0.75 3.80 3.38 -1.67 -3.20 115.31 116.68 3huz h LEU 116 Ca -0.00 -0.35 0.23 0.00 0.09 0.00 0.00 57.88 57.85 3huz h LEU 116 Cb 0.63 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 3huz h LEU 116 CO 0.03 0.33 0.11 0.33 0.09 0.00 0.00 178.44 179.33 3huz n PHE 117 N -4.95 0.58 -0.20 1.13 7.35 -1.05 0.28 117.46 120.59 3huz n PHE 117 Ca -0.08 0.90 0.01 0.00 -0.76 0.00 0.00 57.45 57.52 3huz n PHE 117 Cb 0.27 -1.13 0.11 0.00 0.35 0.00 0.00 39.48 39.08 3huz n PHE 117 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3huz h LYS 118 N 0.00 0.24 -0.98 -4.13 1.57 -1.56 0.50 116.57 112.22 3huz h LYS 118 Ca 0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 3huz h LYS 118 Cb 1.13 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3huz h LYS 118 CO -0.67 0.16 0.00 0.54 -0.57 0.00 0.00 179.45 178.91 3huz n ARG 119 N -5.14 0.35 -3.02 3.15 5.12 0.79 -3.45 116.66 114.46 3huz n ARG 119 Ca 0.09 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.83 3huz n ARG 119 Cb 0.33 -1.25 -0.02 0.00 -1.16 0.00 0.00 32.46 30.36 3huz n ARG 119 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3huz n LEU 120 N 0.57 1.79 -4.58 0.55 -0.00 0.17 -1.23 117.00 114.27 3huz n LEU 120 Ca 0.00 -4.92 -0.41 0.00 -0.00 0.00 0.00 56.01 50.69 3huz n LEU 120 Cb 0.13 0.38 -0.03 0.00 -0.00 0.00 0.00 43.42 43.90 3huz n LEU 120 CO 0.00 2.17 1.65 -0.54 -0.00 0.00 0.00 177.39 180.67 3huz s LYS 121 N -2.80 2.93 -0.01 1.96 3.01 -0.98 -4.91 119.74 118.94 3huz s LYS 121 Ca 0.40 1.22 -0.09 0.00 -1.01 0.00 0.00 55.97 56.49 3huz s LYS 121 Cb 0.36 -4.33 -0.05 0.00 -1.01 0.00 0.00 37.83 32.80 3huz s LYS 121 CO -0.08 -2.35 0.29 0.08 0.51 0.00 0.00 175.35 173.81 3huz s VAL 122 N 8.43 5.25 0.03 3.17 1.01 -1.26 -2.66 120.40 134.37 3huz s VAL 122 Ca 0.80 0.40 0.02 0.00 0.00 0.00 0.00 61.98 63.20 3huz s VAL 122 Cb -0.20 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3huz s VAL 122 CO 0.29 0.47 -0.07 -0.31 0.00 0.00 0.00 175.10 175.48 3huz s TYR 123 N -1.19 0.61 -0.83 5.22 1.51 0.45 -4.94 117.35 118.18 3huz s TYR 123 Ca 0.24 -0.41 -0.08 0.00 -1.01 0.00 0.00 57.07 55.82 3huz s TYR 123 Cb -0.14 -0.37 0.21 0.00 -0.11 0.00 0.00 41.96 41.55 3huz s TYR 123 CO 0.13 -0.07 0.73 0.00 -1.11 0.00 0.00 175.55 175.23 3huz s ALA 124 N -1.10 4.07 0.00 3.71 0.00 -1.26 -0.32 121.76 126.86 3huz s ALA 124 Ca -0.07 -3.48 0.00 0.00 0.00 0.00 0.00 51.96 48.40 3huz s ALA 124 Cb -0.08 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3huz s ALA 124 CO 0.00 -2.20 0.00 0.41 0.00 0.00 0.00 175.76 173.97 3huz n GLY 125 N 3.34 1.67 0.00 0.00 0.00 -1.26 -4.78 105.19 104.16 3huz n GLY 125 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3huz n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3huz n PRO 126 N 0.00 -0.47 -0.45 1.61 -0.04 -1.26 -4.59 135.00 129.80 3huz n PRO 126 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3huz n PRO 126 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3huz n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3huz n ASP 127 N -1.71 -0.59 -4.83 3.54 9.92 -1.26 -4.75 116.55 116.87 3huz n ASP 127 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 3huz n ASP 127 Cb 0.00 -0.30 -0.06 0.00 -0.64 0.00 0.00 41.12 40.12 3huz n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 3huz s HIS 128 N -0.21 3.60 -1.17 1.24 -3.43 -1.26 -4.97 115.29 109.10 3huz s HIS 128 Ca 0.00 1.26 0.29 0.00 -0.80 0.00 0.00 55.06 55.80 3huz s HIS 128 Cb 0.00 -2.52 1.32 0.00 -1.43 0.00 0.00 32.58 29.95 3huz s HIS 128 CO 0.00 0.34 1.96 -0.35 -2.00 0.00 0.00 174.74 174.69 3huz n PRO 129 N 0.61 0.16 -1.98 -0.38 -0.04 -1.26 -3.89 135.00 128.23 3huz n PRO 129 Ca -0.03 0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 63.07 3huz n PRO 129 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 3huz n PRO 129 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3huz n HIS 130 N -1.42 2.42 -2.55 0.54 8.25 -1.26 -4.89 115.22 116.31 3huz n HIS 130 Ca 0.10 -2.57 -0.41 0.00 -0.26 0.00 0.00 57.72 54.57 3huz n HIS 130 Cb 0.30 -1.62 -0.03 0.00 1.12 0.00 0.00 29.99 29.76 3huz n HIS 130 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3huz s GLN 131 N -1.86 3.31 0.00 -0.41 2.00 -1.25 -4.66 119.66 116.78 3huz s GLN 131 Ca 0.53 -0.51 0.00 0.00 -2.00 0.00 0.00 55.36 53.38 3huz s GLN 131 Cb 0.24 -4.55 0.00 0.00 0.80 0.00 0.00 33.01 29.50 3huz s GLN 131 CO -0.14 -2.17 0.00 0.00 -0.50 0.00 0.00 175.29 172.47 3huz n ALA 132 N 9.26 0.00 -1.82 1.58 0.00 -1.26 -5.12 120.51 123.15 3huz n ALA 132 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3huz n ALA 132 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3huz n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3huz n GLN 133 N 0.00 -4.72 -2.73 0.00 7.27 -1.26 -5.05 117.38 110.88 3huz n GLN 133 Ca 0.00 3.42 -0.05 0.00 0.07 0.00 0.00 57.00 60.44 3huz n GLN 133 Cb 0.00 -3.59 0.03 0.00 2.41 0.00 0.00 30.24 29.09 3huz n GLN 133 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3huz n ARG 134 N 1.61 0.49 -1.49 3.69 3.00 -1.26 -4.76 116.66 117.93 3huz n ARG 134 Ca 0.00 -1.59 -0.16 0.00 -0.01 0.00 0.00 57.85 56.08 3huz n ARG 134 Cb 0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 32.46 31.26 3huz n ARG 134 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3huz n PRO 135 N 2.37 0.22 -1.52 5.56 -0.02 -1.26 -3.63 135.00 136.72 3huz n PRO 135 Ca 0.13 -0.44 -0.47 0.00 -2.02 0.00 0.00 63.50 60.69 3huz n PRO 135 Cb 0.61 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 3huz n PRO 135 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3huz n GLU 136 N 6.88 1.52 -3.67 -0.52 0.00 -1.26 -3.32 120.64 120.27 3huz n GLU 136 Ca 0.53 0.42 -0.25 0.00 0.00 0.00 0.00 57.16 57.86 3huz n GLU 136 Cb 0.30 -2.83 -0.02 0.00 0.00 0.00 0.00 31.44 28.88 3huz n GLU 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3huz s LYS 137 N 6.24 3.49 -1.07 5.31 1.02 -0.86 -4.89 119.74 128.98 3huz s LYS 137 Ca 1.05 -0.45 -0.07 0.00 0.02 0.00 0.00 55.97 56.53 3huz s LYS 137 Cb -0.61 -2.80 0.27 0.00 -0.52 0.00 0.00 37.83 34.18 3huz s LYS 137 CO 0.43 0.33 1.09 1.28 -0.92 0.00 0.00 175.35 177.56 3huz n LEU 138 N -1.20 5.36 0.00 3.17 4.77 -1.26 -4.53 117.00 123.31 3huz n LEU 138 Ca -0.06 -5.09 0.00 0.00 -0.03 0.00 0.00 56.01 50.84 3huz n LEU 138 Cb 0.55 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 3huz n LEU 138 CO 0.48 1.45 0.00 -0.62 -1.33 0.00 0.00 177.39 177.36