#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux n ASN 2 N 0.00 0.00 -3.15 6.12 3.02 -1.26 -4.52 115.26 115.47 3hux n ASN 2 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 3hux n ASN 2 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 3hux n ASN 2 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hux n ARG 3 N 0.00 0.00 0.00 3.52 5.12 -1.26 -4.55 116.66 119.49 3hux n ARG 3 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3hux n ARG 3 Cb 0.00 -0.74 0.00 0.00 -1.16 0.00 0.00 32.46 30.56 3hux n ARG 3 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hux n GLY 4 N 3.72 -0.21 0.23 -0.13 0.00 -1.26 -2.19 105.19 105.35 3hux n GLY 4 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 3hux n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux n ALA 5 N -1.16 1.17 -0.03 4.61 0.00 -1.26 -4.51 120.51 119.33 3hux n ALA 5 Ca 0.00 -0.70 0.22 0.00 0.00 0.00 0.00 53.44 52.96 3hux n ALA 5 Cb 0.05 0.06 0.70 0.00 0.00 0.00 0.00 19.45 20.26 3hux n ALA 5 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hux h LEU 6 N -0.84 0.00 -0.87 0.00 3.38 -1.82 1.75 115.31 116.91 3hux h LEU 6 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hux h LEU 6 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3hux h LEU 6 CO 0.00 0.00 0.00 -0.38 0.09 0.00 0.00 178.44 178.15 3hux n ILE 7 N -4.36 1.24 -0.11 1.22 2.08 -0.93 -2.69 119.36 115.81 3hux n ILE 7 Ca 0.11 0.57 -0.20 0.00 0.56 0.00 0.00 62.75 63.79 3hux n ILE 7 Cb 0.67 -1.54 -0.08 0.00 -0.75 0.00 0.00 39.64 37.93 3hux n ILE 7 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3hux n LYS 8 N -2.02 0.55 -0.68 0.38 5.02 0.59 -4.23 118.16 117.78 3hux n LYS 8 Ca -0.00 0.42 0.52 0.00 -2.02 0.00 0.00 58.31 57.23 3hux n LYS 8 Cb 0.07 -1.62 0.81 0.00 -0.02 0.00 0.00 35.03 34.26 3hux n LYS 8 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3hux h LEU 9 N -1.00 0.00 -0.30 -0.35 3.38 -1.27 0.54 115.31 116.32 3hux h LEU 9 Ca -0.37 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.64 3hux h LEU 9 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 3hux h LEU 9 CO -0.23 0.00 0.03 0.58 0.09 0.00 0.00 178.44 178.92 3hux h VAL 10 N 0.00 0.83 0.00 1.22 2.07 -1.72 -1.59 116.25 117.06 3hux h VAL 10 Ca 0.91 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 68.39 3hux h VAL 10 Cb 3.71 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 34.17 3hux h VAL 10 CO -0.01 0.02 0.01 -0.62 0.02 0.00 0.00 177.57 177.00 3hux n GLU 11 N -5.12 0.13 -0.09 1.57 4.71 0.19 -3.12 120.64 118.90 3hux n GLU 11 Ca -0.00 0.63 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 3hux n GLU 11 Cb 0.14 -1.94 0.00 0.00 -1.01 0.00 0.00 31.44 28.63 3hux n GLU 11 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3hux n SER 12 N -2.21 2.45 -0.63 1.62 7.64 -0.60 -4.23 113.62 117.65 3hux n SER 12 Ca -0.01 -1.51 0.00 0.00 1.01 0.00 0.00 58.87 58.36 3hux n SER 12 Cb 0.04 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3hux n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3hux n ARG 13 N 0.94 0.40 -0.09 1.43 3.00 -1.18 -0.62 116.66 120.54 3hux n ARG 13 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.94 3hux n ARG 13 Cb 0.34 -1.23 0.12 0.00 0.00 0.00 0.00 32.46 31.69 3hux n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3hux n TYR 14 N 0.43 0.00 -3.19 -0.14 4.02 -1.26 -5.03 117.16 111.99 3hux n TYR 14 Ca 0.00 -0.90 -0.37 0.00 -0.01 0.00 0.00 57.90 56.62 3hux n TYR 14 Cb 0.13 -0.14 -0.06 0.00 -0.02 0.00 0.00 39.34 39.25 3hux n TYR 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3hux s VAL 15 N -2.57 4.65 0.00 -0.72 0.11 0.21 -4.77 120.40 117.30 3hux s VAL 15 Ca 0.28 1.22 0.00 0.00 -2.93 0.00 0.00 61.98 60.55 3hux s VAL 15 Cb 0.24 -3.88 0.00 0.00 -1.53 0.00 0.00 36.38 31.21 3hux s VAL 15 CO 0.03 0.35 0.00 0.54 -3.33 0.00 0.00 175.10 172.68 3hux n ARG 16 N 1.11 2.74 0.00 1.54 5.12 -1.26 -5.03 116.66 120.88 3hux n ARG 16 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3hux n ARG 16 Cb 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 3hux n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3hux n THR 17 N 0.00 0.00 1.23 0.55 5.66 -1.26 -5.00 114.28 115.46 3hux n THR 17 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 3hux n THR 17 Cb 0.00 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 3hux n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3hux n ASP 18 N 0.00 0.99 -4.54 1.09 5.75 -1.26 -4.86 116.55 113.71 3hux n ASP 18 Ca 0.00 -2.05 -0.34 0.00 -0.01 0.00 0.00 54.79 52.39 3hux n ASP 18 Cb 0.00 -0.32 -0.12 0.00 -1.03 0.00 0.00 41.12 39.66 3hux n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hux s LEU 19 N -0.57 3.14 0.68 -2.12 1.43 -1.26 -4.79 118.68 115.19 3hux s LEU 19 Ca 0.05 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 52.91 3hux s LEU 19 Cb 0.03 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.56 3hux s LEU 19 CO 0.02 0.30 1.26 -2.84 0.23 0.00 0.00 176.35 175.32 3hux s PRO 20 N -0.45 2.38 -0.37 1.29 0.02 -1.25 -4.97 135.00 131.66 3hux s PRO 20 Ca 0.07 1.94 -0.15 0.00 0.02 0.00 0.00 61.00 62.87 3hux s PRO 20 Cb -0.12 -1.84 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 3hux s PRO 20 CO 0.02 -1.69 0.32 -2.00 -0.33 0.00 0.00 177.00 173.31 3hux s GLU 21 N -3.59 3.31 0.54 5.54 2.12 -1.26 -5.05 118.70 120.32 3hux s GLU 21 Ca 0.79 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 55.45 3hux s GLU 21 Cb -0.34 -3.88 0.03 0.00 0.26 0.00 0.00 34.13 30.20 3hux s GLU 21 CO 0.42 -0.61 0.24 -0.59 -0.54 0.00 0.00 175.26 174.18 3hux s PHE 22 N 1.85 1.61 -0.30 5.30 -0.12 -1.26 -5.16 117.98 119.91 3hux s PHE 22 Ca 0.08 -0.93 -0.15 0.00 -0.05 0.00 0.00 56.93 55.89 3hux s PHE 22 Cb -0.18 -1.77 0.15 0.00 -0.63 0.00 0.00 43.02 40.60 3hux s PHE 22 CO 0.11 -0.23 0.95 -0.98 -0.05 0.00 0.00 175.22 175.02 3hux s ARG 23 N -4.14 0.35 -0.01 1.99 1.70 -1.26 -4.97 118.95 112.61 3hux s ARG 23 Ca 0.20 0.79 -0.00 0.00 -0.47 0.00 0.00 55.73 56.25 3hux s ARG 23 Cb -0.01 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 3hux s ARG 23 CO 0.12 -0.11 0.00 -2.30 -1.08 0.00 0.00 175.30 171.94 3hux n PRO 24 N 4.65 -1.41 0.00 3.89 -0.02 -1.26 -4.76 135.00 136.10 3hux n PRO 24 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3hux n PRO 24 Cb 0.54 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 3hux n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hux n GLY 25 N -0.12 0.70 2.31 -1.23 0.00 -1.26 -4.76 105.19 100.83 3hux n GLY 25 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3hux n GLY 25 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hux n ASP 26 N 0.00 1.36 0.00 1.61 4.64 -1.23 -2.15 116.55 120.78 3hux n ASP 26 Ca 0.00 -3.02 0.00 0.00 -1.38 0.00 0.00 54.79 50.39 3hux n ASP 26 Cb 0.00 -0.63 0.00 0.00 -1.04 0.00 0.00 41.12 39.45 3hux n ASP 26 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 3hux n THR 27 N 0.69 0.00 -0.10 5.18 5.66 -1.25 -3.32 114.28 121.14 3hux n THR 27 Ca 0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 3hux n THR 27 Cb 0.55 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 3hux n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3hux n VAL 28 N 0.00 -0.37 0.00 1.08 0.31 -1.24 -2.71 118.33 115.40 3hux n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hux n VAL 28 Cb 0.00 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 3hux n VAL 28 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3hux n ARG 29 N 2.44 0.00 0.00 5.55 3.00 1.16 -4.43 116.66 124.38 3hux n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3hux n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3hux n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3hux n VAL 30 N -1.08 0.00 0.00 1.55 0.24 -1.25 -4.19 118.33 113.60 3hux n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3hux n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3hux n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hux n SER 31 N 0.00 0.00 0.00 -1.34 3.41 0.52 -4.42 113.62 111.79 3hux n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hux n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3hux n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hux n TYR 32 N 0.00 -0.38 -1.28 7.33 9.36 -1.26 -1.78 117.16 129.15 3hux n TYR 32 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3hux n TYR 32 Cb 0.00 0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.79 3hux n TYR 32 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3hux n LYS 33 N -1.42 -0.10 -2.67 2.98 4.76 -1.26 -3.35 118.16 117.10 3hux n LYS 33 Ca 0.00 0.24 -0.42 0.00 -2.87 0.00 0.00 58.31 55.26 3hux n LYS 33 Cb 0.00 -0.29 -0.03 0.00 -1.84 0.00 0.00 35.03 32.87 3hux n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hux s VAL 34 N -0.28 4.74 0.15 -0.18 1.01 -1.26 -4.26 120.40 120.33 3hux s VAL 34 Ca 0.00 1.98 -0.23 0.00 0.00 0.00 0.00 61.98 63.73 3hux s VAL 34 Cb 0.00 -4.27 0.08 0.00 0.00 0.00 0.00 36.38 32.19 3hux s VAL 34 CO 0.00 0.11 1.07 -1.59 0.00 0.00 0.00 175.10 174.69 3hux s LYS 35 N 1.32 1.16 0.00 2.72 -2.85 -1.20 -4.92 119.74 115.97 3hux s LYS 35 Ca 0.52 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.75 3hux s LYS 35 Cb -0.21 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 3hux s LYS 35 CO 0.25 -0.54 0.00 -1.91 0.10 0.00 0.00 175.35 173.25 3hux n GLU 36 N -0.70 -0.97 0.00 1.78 2.13 -1.26 -2.44 120.64 119.18 3hux n GLU 36 Ca -0.03 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.04 3hux n GLU 36 Cb 0.60 -4.28 0.00 0.00 0.27 0.00 0.00 31.44 28.02 3hux n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hux n GLY 37 N -0.74 2.34 3.27 8.31 0.00 -1.26 -4.88 105.19 112.23 3hux n GLY 37 Ca 0.00 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 3hux n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hux n ASN 38 N 1.23 5.62 0.00 1.61 6.94 -1.02 -5.01 115.26 124.63 3hux n ASN 38 Ca 0.00 -3.11 0.00 0.00 -0.02 0.00 0.00 54.58 51.45 3hux n ASN 38 Cb 0.00 -1.35 0.00 0.00 -2.36 0.00 0.00 39.78 36.07 3hux n ASN 38 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3hux n ARG 39 N 2.43 0.00 0.00 -3.83 1.74 -1.20 -4.50 116.66 111.30 3hux n ARG 39 Ca 0.24 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 3hux n ARG 39 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 3hux n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hux n THR 40 N 0.00 0.00 -0.54 0.55 -2.24 -1.26 -3.26 114.28 107.52 3hux n THR 40 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3hux n THR 40 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3hux n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3hux n ARG 41 N 0.00 0.00 -2.19 -0.78 0.00 -1.21 -4.84 116.66 107.64 3hux n ARG 41 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 3hux n ARG 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3hux n ARG 41 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3hux n ILE 42 N 0.00 -0.65 -2.53 5.15 -6.64 -1.25 -4.80 119.36 108.65 3hux n ILE 42 Ca 0.00 0.00 -0.36 0.00 -1.77 0.00 0.00 62.75 60.63 3hux n ILE 42 Cb 0.05 -0.58 -0.04 0.00 -1.44 0.00 0.00 39.64 37.63 3hux n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 3hux s GLN 43 N -1.65 4.05 -0.15 6.28 0.74 -1.26 -4.71 119.66 122.96 3hux s GLN 43 Ca 0.03 1.49 -0.10 0.00 0.05 0.00 0.00 55.36 56.83 3hux s GLN 43 Cb -0.00 -2.42 -0.05 0.00 1.10 0.00 0.00 33.01 31.64 3hux s GLN 43 CO 0.17 -0.24 0.17 -0.51 -0.55 0.00 0.00 175.29 174.33 3hux s ASP 44 N -1.66 6.35 -0.07 6.67 1.11 -1.26 -0.36 116.67 127.45 3hux s ASP 44 Ca 0.61 0.41 0.05 0.00 0.18 0.00 0.00 52.55 53.79 3hux s ASP 44 Cb -0.21 -2.10 -0.00 0.00 1.07 0.00 0.00 42.92 41.67 3hux s ASP 44 CO 0.26 0.27 -0.22 0.12 1.18 0.00 0.00 175.17 176.77 3hux s PHE 45 N -0.25 2.29 -0.19 4.23 5.36 -1.26 -4.86 117.98 123.29 3hux s PHE 45 Ca 0.13 -0.80 -0.03 0.00 -0.96 0.00 0.00 56.93 55.27 3hux s PHE 45 Cb -0.12 -1.53 0.06 0.00 -0.34 0.00 0.00 43.02 41.10 3hux s PHE 45 CO 0.02 -0.29 0.05 -2.00 -1.46 0.00 0.00 175.22 171.54 3hux s GLU 46 N 0.13 0.49 0.22 10.12 2.12 -1.26 0.37 118.70 130.89 3hux s GLU 46 Ca -0.10 -0.34 -0.19 0.00 0.36 0.00 0.00 54.97 54.69 3hux s GLU 46 Cb -0.15 -2.03 0.07 0.00 0.26 0.00 0.00 34.13 32.28 3hux s GLU 46 CO 0.05 -0.66 0.93 0.41 -0.54 0.00 0.00 175.26 175.46 3hux n GLY 47 N 5.11 0.72 3.77 -1.50 0.00 -1.26 -4.71 105.19 107.32 3hux n GLY 47 Ca -0.08 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 3hux n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hux s ILE 48 N -2.10 3.74 -0.65 -0.61 1.09 -0.71 -3.67 121.20 118.29 3hux s ILE 48 Ca 0.20 1.58 -0.25 0.00 -1.10 0.00 0.00 60.65 61.08 3hux s ILE 48 Cb -0.03 -3.94 0.04 0.00 -1.06 0.00 0.00 42.46 37.47 3hux s ILE 48 CO 0.07 0.25 1.10 0.54 -0.10 0.00 0.00 174.94 176.79 3hux s VAL 49 N -1.37 4.09 0.19 2.92 0.11 -0.92 0.02 120.40 125.44 3hux s VAL 49 Ca 0.49 0.27 0.15 0.00 -2.93 0.00 0.00 61.98 59.95 3hux s VAL 49 Cb -0.26 -4.73 0.06 0.00 -1.53 0.00 0.00 36.38 29.91 3hux s VAL 49 CO 0.33 -1.49 1.66 -0.29 -3.33 0.00 0.00 175.10 171.99 3hux h ILE 50 N 6.04 1.13 -1.42 7.04 6.09 -0.53 -3.35 117.51 132.49 3hux h ILE 50 Ca -0.27 -1.84 0.10 0.00 -1.37 0.00 0.00 64.86 61.48 3hux h ILE 50 Cb 1.06 2.06 -0.28 0.00 0.47 0.00 0.00 36.82 40.13 3hux h ILE 50 CO 1.19 0.48 0.60 -0.60 -3.07 0.00 0.00 178.15 176.75 3hux s ARG 51 N -3.55 0.36 -0.20 2.19 3.00 -1.22 -2.88 118.95 116.65 3hux s ARG 51 Ca -0.00 0.42 0.02 0.00 -1.00 0.00 0.00 55.73 55.16 3hux s ARG 51 Cb 0.11 0.17 0.03 0.00 0.00 0.00 0.00 34.95 35.27 3hux s ARG 51 CO 0.72 -0.04 -0.16 0.42 0.00 0.00 0.00 175.30 176.24 3hux s ILE 52 N 0.15 2.00 -0.27 4.11 1.01 -1.26 -0.32 121.20 126.61 3hux s ILE 52 Ca 0.05 -1.13 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 3hux s ILE 52 Cb -0.05 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 3hux s ILE 52 CO -0.09 0.32 0.14 -0.60 0.00 0.00 0.00 174.94 174.71 3hux s ARG 53 N 1.26 3.73 0.06 2.79 3.00 -0.74 -4.96 118.95 124.10 3hux s ARG 53 Ca 0.00 -0.45 -0.04 0.00 -1.00 0.00 0.00 55.73 54.25 3hux s ARG 53 Cb -0.15 -3.52 -0.05 0.00 0.00 0.00 0.00 34.95 31.23 3hux s ARG 53 CO -0.10 -0.23 0.27 1.03 0.00 0.00 0.00 175.30 176.27 3hux s ARG 54 N 1.68 3.53 -0.38 5.12 0.52 -1.26 0.64 118.95 128.81 3hux s ARG 54 Ca 0.06 -0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 3hux s ARG 54 Cb -0.16 -3.01 0.30 0.00 0.52 0.00 0.00 34.95 32.61 3hux s ARG 54 CO 0.07 0.59 1.24 -1.71 0.02 0.00 0.00 175.30 175.52 3hux n ASN 55 N 0.58 -1.69 0.00 0.23 5.15 -1.26 -4.96 115.26 113.32 3hux n ASN 55 Ca -0.07 -2.43 0.00 0.00 -0.60 0.00 0.00 54.58 51.48 3hux n ASN 55 Cb 0.52 1.31 0.00 0.00 -0.53 0.00 0.00 39.78 41.08 3hux n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hux n GLY 56 N 0.81 3.25 3.59 8.20 0.00 -1.26 -4.17 105.19 115.61 3hux n GLY 56 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3hux n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hux s PHE 57 N 0.00 1.74 -1.72 1.61 5.99 -1.26 -3.42 117.98 120.91 3hux s PHE 57 Ca 0.00 1.16 -0.19 0.00 0.00 0.00 0.00 56.93 57.90 3hux s PHE 57 Cb 0.00 -3.18 0.17 0.00 0.00 0.00 0.00 43.02 40.01 3hux s PHE 57 CO 0.00 -3.30 0.78 0.27 -0.00 0.00 0.00 175.22 172.97 3hux n ASN 58 N -4.51 -3.24 -4.83 6.13 0.23 -1.26 -4.96 115.26 102.83 3hux n ASN 58 Ca 0.05 -1.03 -0.26 0.00 -0.53 0.00 0.00 54.58 52.81 3hux n ASN 58 Cb 0.55 -2.66 0.09 0.00 -2.08 0.00 0.00 39.78 35.68 3hux n ASN 58 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3hux s THR 59 N -3.27 2.21 0.24 5.53 -4.23 -1.22 -4.68 115.64 110.22 3hux s THR 59 Ca 0.76 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 61.07 3hux s THR 59 Cb -0.42 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.44 3hux s THR 59 CO 0.94 0.00 0.15 0.35 -0.54 0.00 0.00 174.62 175.51 3hux n THR 60 N -3.04 0.00 -3.61 3.99 -2.24 0.21 -4.41 114.28 105.18 3hux n THR 60 Ca 0.09 -1.57 -0.12 0.00 -2.27 0.00 0.00 64.05 60.18 3hux n THR 60 Cb 0.60 0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 69.46 3hux n THR 60 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3hux s PHE 61 N -2.74 -0.58 0.11 4.78 -0.12 -1.06 -1.79 117.98 116.57 3hux s PHE 61 Ca 0.21 1.34 0.10 0.00 -0.05 0.00 0.00 56.93 58.53 3hux s PHE 61 Cb 0.01 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 3hux s PHE 61 CO 0.15 -0.33 -0.23 0.95 -0.05 0.00 0.00 175.22 175.70 3hux s THR 62 N -0.04 2.51 -0.11 -4.49 -4.23 0.56 -2.20 115.64 107.64 3hux s THR 62 Ca -0.00 -1.60 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 3hux s THR 62 Cb -0.04 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.69 3hux s THR 62 CO -0.01 0.13 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.32 3hux s VAL 63 N -1.07 1.73 0.29 2.29 1.01 -1.06 0.23 120.40 123.83 3hux s VAL 63 Ca 0.15 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3hux s VAL 63 Cb -0.10 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3hux s VAL 63 CO 0.07 0.49 0.50 -0.60 0.00 0.00 0.00 175.10 175.56 3hux s ARG 64 N 0.82 3.53 -0.29 2.72 6.06 0.10 -2.28 118.95 129.61 3hux s ARG 64 Ca -0.09 -0.28 -0.16 0.00 -2.50 0.00 0.00 55.73 52.70 3hux s ARG 64 Cb -0.16 -2.71 0.15 0.00 0.06 0.00 0.00 34.95 32.29 3hux s ARG 64 CO 0.00 0.24 1.00 -1.59 -2.50 0.00 0.00 175.30 172.45 3hux s LYS 65 N -3.88 0.35 -0.87 5.12 0.00 0.23 -1.74 119.74 118.95 3hux s LYS 65 Ca 0.40 0.61 -0.20 0.00 0.00 0.00 0.00 55.97 56.77 3hux s LYS 65 Cb -0.10 0.08 0.10 0.00 0.00 0.00 0.00 37.83 37.91 3hux s LYS 65 CO 0.33 -0.07 1.13 0.08 0.00 0.00 0.00 175.35 176.82 3hux s VAL 66 N 1.35 4.49 -0.41 1.79 1.01 -1.26 0.54 120.40 127.91 3hux s VAL 66 Ca -0.09 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.54 3hux s VAL 66 Cb -0.04 -4.80 0.02 0.00 0.00 0.00 0.00 36.38 31.56 3hux s VAL 66 CO -0.14 -1.56 0.80 -0.55 0.00 0.00 0.00 175.10 173.64 3hux s SER 67 N 3.84 6.49 0.97 3.32 0.15 0.14 -4.85 113.70 123.76 3hux s SER 67 Ca 0.32 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.11 3hux s SER 67 Cb -0.07 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3hux s SER 67 CO -0.04 -0.84 0.00 -1.22 1.20 0.00 0.00 173.24 172.34 3hux n TYR 68 N 6.62 0.00 -0.10 3.44 4.01 -1.26 -1.79 117.16 128.07 3hux n TYR 68 Ca 0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.55 3hux n TYR 68 Cb 0.48 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.40 3hux n TYR 68 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3hux h GLY 69 N 0.00 0.01 -1.41 2.72 0.00 -2.00 -3.49 103.07 98.90 3hux h GLY 69 Ca 0.00 -0.03 -0.51 0.00 0.00 0.00 0.00 47.33 46.80 3hux h GLY 69 CO 0.00 0.02 0.39 0.14 0.00 0.00 0.00 176.54 177.10 3hux s VAL 70 N -2.36 4.38 -0.04 4.60 1.01 -0.74 -5.04 120.40 122.21 3hux s VAL 70 Ca -0.28 0.83 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 3hux s VAL 70 Cb 0.05 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 3hux s VAL 70 CO 0.60 -0.96 0.29 -0.83 0.00 0.00 0.00 175.10 174.20 3hux s GLY 71 N -3.85 2.31 0.05 4.51 0.00 -1.26 0.24 107.32 109.33 3hux s GLY 71 Ca 0.57 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.88 3hux s GLY 71 CO 0.51 -0.16 -0.12 0.14 0.00 0.00 0.00 173.10 173.47 3hux s VAL 72 N -1.12 0.89 -0.06 1.40 1.01 0.19 -4.89 120.40 117.81 3hux s VAL 72 Ca 0.22 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3hux s VAL 72 Cb -0.14 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.39 3hux s VAL 72 CO 0.11 -0.21 -0.02 -1.61 0.00 0.00 0.00 175.10 173.37 3hux s GLU 73 N -1.47 0.75 0.23 2.72 2.02 -1.25 -0.60 118.70 121.10 3hux s GLU 73 Ca -0.04 0.00 0.09 0.00 0.02 0.00 0.00 54.97 55.05 3hux s GLU 73 Cb -0.09 -0.95 -0.04 0.00 0.10 0.00 0.00 34.13 33.15 3hux s GLU 73 CO 0.01 -0.21 -0.01 1.03 0.02 0.00 0.00 175.26 176.10 3hux s ARG 74 N 1.53 2.31 -0.18 1.61 1.81 -0.96 -4.94 118.95 120.12 3hux s ARG 74 Ca -0.01 -1.31 -0.02 0.00 -1.72 0.00 0.00 55.73 52.66 3hux s ARG 74 Cb -0.13 -2.22 0.05 0.00 -0.45 0.00 0.00 34.95 32.21 3hux s ARG 74 CO -0.03 0.40 0.01 0.42 -0.68 0.00 0.00 175.30 175.41 3hux s ILE 75 N -2.10 0.74 -0.11 1.52 1.01 -1.26 -2.55 121.20 118.45 3hux s ILE 75 Ca 0.30 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 3hux s ILE 75 Cb -0.07 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3hux s ILE 75 CO 0.19 -0.10 0.01 -0.36 0.00 0.00 0.00 174.94 174.68 3hux s PHE 76 N 1.77 3.18 -0.27 3.97 0.40 -0.93 -4.99 117.98 121.11 3hux s PHE 76 Ca -0.01 0.13 0.28 0.00 -0.60 0.00 0.00 56.93 56.73 3hux s PHE 76 Cb -0.17 -1.86 1.11 0.00 0.51 0.00 0.00 43.02 42.62 3hux s PHE 76 CO -0.07 0.37 1.82 -1.35 0.70 0.00 0.00 175.22 176.69 3hux h PRO 77 N 5.56 0.00 -0.10 0.24 0.11 -1.88 -2.82 132.00 133.12 3hux h PRO 77 Ca -0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3hux h PRO 77 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3hux h PRO 77 CO 0.58 0.00 -0.04 -0.11 -0.21 0.00 0.00 178.00 178.22 3hux n LEU 78 N -2.59 -0.07 -3.70 2.35 0.00 -1.26 -4.23 117.00 107.49 3hux n LEU 78 Ca 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 56.01 55.97 3hux n LEU 78 Cb 0.27 -0.88 -0.12 0.00 0.00 0.00 0.00 43.42 42.70 3hux n LEU 78 CO 0.23 -0.18 -0.02 -1.00 0.00 0.00 0.00 177.39 176.43 3hux s HIS 79 N -2.00 -0.51 0.00 1.96 3.76 -1.26 -4.74 115.29 112.49 3hux s HIS 79 Ca 0.00 1.12 0.00 0.00 -0.15 0.00 0.00 55.06 56.03 3hux s HIS 79 Cb 0.00 0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.87 3hux s HIS 79 CO 0.00 -0.32 0.00 0.45 -0.85 0.00 0.00 174.74 174.02 3hux n SER 80 N 4.40 0.00 -4.34 1.40 2.88 -1.26 -4.96 113.62 111.74 3hux n SER 80 Ca -0.22 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.16 3hux n SER 80 Cb 0.54 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.82 3hux n SER 80 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3hux n PRO 81 N 5.30 0.00 0.00 -1.46 -0.02 -1.26 -4.60 135.00 132.96 3hux n PRO 81 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hux n PRO 81 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 3hux n PRO 81 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3hux n LEU 82 N 5.21 0.00 -0.21 2.45 -0.00 -0.74 -4.18 117.00 119.54 3hux n LEU 82 Ca 0.51 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.54 3hux n LEU 82 Cb 0.23 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.77 3hux n LEU 82 CO 0.95 0.00 0.88 0.16 -0.00 0.00 0.00 177.39 179.38 3hux h ILE 83 N 0.00 0.53 -4.33 1.47 3.07 -1.77 -3.44 117.51 113.04 3hux h ILE 83 Ca 0.00 -0.06 -0.22 0.00 1.55 0.00 0.00 64.86 66.12 3hux h ILE 83 Cb 0.00 0.33 -0.13 0.00 -0.27 0.00 0.00 36.82 36.75 3hux h ILE 83 CO 0.00 0.03 -0.43 0.00 -1.05 0.00 0.00 178.15 176.70 3hux s GLN 84 N -6.11 1.43 -0.44 0.16 -2.07 -1.26 -5.10 119.66 106.27 3hux s GLN 84 Ca -0.13 -1.59 0.05 0.00 -1.82 0.00 0.00 55.36 51.87 3hux s GLN 84 Cb 0.19 0.35 0.17 0.00 -1.09 0.00 0.00 33.01 32.63 3hux s GLN 84 CO 0.74 -0.53 0.49 0.21 -1.32 0.00 0.00 175.29 174.89 3hux s LYS 85 N -3.93 0.91 -0.06 9.60 2.36 -1.26 -4.19 119.74 123.18 3hux s LYS 85 Ca 0.34 -1.47 -0.03 0.00 -2.55 0.00 0.00 55.97 52.26 3hux s LYS 85 Cb 0.04 -0.77 -0.04 0.00 -1.05 0.00 0.00 37.83 36.01 3hux s LYS 85 CO 0.14 -1.33 0.10 -1.50 1.55 0.00 0.00 175.35 174.31 3hux s ILE 86 N 0.64 5.04 0.15 5.43 2.07 -1.26 -3.90 121.20 129.37 3hux s ILE 86 Ca 0.29 -0.13 0.08 0.00 -1.41 0.00 0.00 60.65 59.48 3hux s ILE 86 Cb -0.01 -3.25 -0.04 0.00 0.13 0.00 0.00 42.46 39.29 3hux s ILE 86 CO -0.11 0.48 -0.09 1.51 -1.91 0.00 0.00 174.94 174.82 3hux s ASP 87 N -1.38 4.32 0.00 4.50 -4.77 -1.26 -4.54 116.67 113.54 3hux s ASP 87 Ca 0.19 -0.50 0.00 0.00 -3.30 0.00 0.00 52.55 48.94 3hux s ASP 87 Cb -0.12 -0.77 0.00 0.00 -1.09 0.00 0.00 42.92 40.94 3hux s ASP 87 CO 0.09 0.13 0.00 -0.38 0.70 0.00 0.00 175.17 175.71 3hux n ILE 88 N 0.27 0.00 -3.20 2.11 5.41 -1.10 -4.91 119.36 117.94 3hux n ILE 88 Ca -0.12 0.00 -0.44 0.00 1.00 0.00 0.00 62.75 63.19 3hux n ILE 88 Cb 0.54 -0.01 -0.06 0.00 -0.71 0.00 0.00 39.64 39.41 3hux n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3hux s VAL 89 N 0.00 4.96 -0.58 1.39 1.01 -1.25 -4.98 120.40 120.96 3hux s VAL 89 Ca 0.00 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 3hux s VAL 89 Cb 0.00 -4.34 -0.06 0.00 0.00 0.00 0.00 36.38 31.98 3hux s VAL 89 CO 0.00 -0.88 2.24 -1.10 0.00 0.00 0.00 175.10 175.36 3hux s GLN 90 N 2.34 2.20 0.00 2.72 -0.21 -1.26 -3.48 119.66 121.96 3hux s GLN 90 Ca 0.10 1.01 0.00 0.00 0.02 0.00 0.00 55.36 56.49 3hux s GLN 90 Cb -0.23 -4.58 0.00 0.00 1.00 0.00 0.00 33.01 29.20 3hux s GLN 90 CO 0.08 -3.28 0.00 0.54 -2.12 0.00 0.00 175.29 170.51 3hux n ARG 91 N 9.03 1.62 0.00 2.91 1.74 -1.26 -4.14 116.66 126.55 3hux n ARG 91 Ca 0.34 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 3hux n ARG 91 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 3hux n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hux n GLY 92 N 2.04 1.50 4.54 -0.13 0.00 -1.25 -4.28 105.19 107.60 3hux n GLY 92 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3hux n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hux n ARG 93 N 0.00 0.00 -1.90 1.61 0.63 -1.26 -3.81 116.66 111.93 3hux n ARG 93 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3hux n ARG 93 Cb 0.00 -0.27 0.00 0.00 0.45 0.00 0.00 32.46 32.64 3hux n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hux n ALA 94 N 0.00 -1.29 1.22 5.13 0.00 -1.26 -4.86 120.51 119.45 3hux n ALA 94 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.70 3hux n ALA 94 Cb 0.00 -0.79 0.39 0.00 0.00 0.00 0.00 19.45 19.05 3hux n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hux n ARG 95 N 1.81 1.78 -3.83 0.00 5.12 -1.26 -4.88 116.66 115.40 3hux n ARG 95 Ca 0.00 -1.16 -0.12 0.00 -1.93 0.00 0.00 57.85 54.64 3hux n ARG 95 Cb 0.00 -1.42 -0.09 0.00 -1.16 0.00 0.00 32.46 29.79 3hux n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3hux s ARG 96 N -1.82 0.60 0.08 5.56 1.70 -1.26 -5.07 118.95 118.73 3hux s ARG 96 Ca 0.34 -0.41 -0.16 0.00 -0.47 0.00 0.00 55.73 55.03 3hux s ARG 96 Cb 0.19 0.25 -0.13 0.00 -0.57 0.00 0.00 34.95 34.69 3hux s ARG 96 CO 0.28 -0.16 1.33 0.00 -1.08 0.00 0.00 175.30 175.67 3hux h ALA 97 N 3.91 0.32 -3.30 7.88 0.00 -1.98 -3.40 119.26 122.68 3hux h ALA 97 Ca -0.31 -0.48 -0.68 0.00 0.00 0.00 0.00 54.91 53.44 3hux h ALA 97 Cb 1.19 -0.05 -0.31 0.00 0.00 0.00 0.00 17.79 18.63 3hux h ALA 97 CO 0.43 0.46 -0.68 0.15 0.00 0.00 0.00 179.25 179.61 3hux s LYS 98 N -3.99 2.65 -0.61 0.00 3.01 -1.26 -4.49 119.74 115.05 3hux s LYS 98 Ca -0.12 -1.13 0.03 0.00 -1.01 0.00 0.00 55.97 53.75 3hux s LYS 98 Cb 0.07 -3.23 0.37 0.00 -1.01 0.00 0.00 37.83 34.04 3hux s LYS 98 CO 0.84 -0.56 1.28 1.47 0.51 0.00 0.00 175.35 178.89 3hux n LEU 99 N 4.71 5.36 0.29 3.17 -0.00 -1.14 -4.68 117.00 124.71 3hux n LEU 99 Ca -0.14 -5.33 0.18 0.00 -0.00 0.00 0.00 56.01 50.72 3hux n LEU 99 Cb 0.45 -0.66 0.79 0.00 -0.00 0.00 0.00 43.42 44.00 3hux n LEU 99 CO 0.28 2.19 1.02 1.88 -0.00 0.00 0.00 177.39 182.76 3hux h TYR 100 N 2.95 0.00 0.00 1.47 -1.99 -1.95 -2.99 116.97 114.47 3hux h TYR 100 Ca 0.31 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.04 3hux h TYR 100 Cb 0.59 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.32 3hux h TYR 100 CO 0.94 0.02 0.00 1.97 -0.00 0.00 0.00 178.16 181.09 3hux n PHE 101 N -3.14 0.00 0.33 4.88 -1.74 -1.26 -0.45 117.46 116.08 3hux n PHE 101 Ca -0.00 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 56.98 3hux n PHE 101 Cb 0.26 0.00 0.16 0.00 1.52 0.00 0.00 39.48 41.42 3hux n PHE 101 CO 0.00 0.00 0.00 0.44 -0.56 0.00 0.00 176.76 176.64 3hux n ILE 102 N -0.46 0.43 -0.06 1.97 -5.35 -1.13 -4.39 119.36 110.37 3hux n ILE 102 Ca 0.00 -0.72 -0.07 0.00 -0.27 0.00 0.00 62.75 61.70 3hux n ILE 102 Cb 0.00 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 38.85 3hux n ILE 102 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3hux h ARG 103 N 3.70 -0.00 -0.87 6.28 3.08 -1.05 -3.29 114.38 122.23 3hux h ARG 103 Ca 0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 3hux h ARG 103 Cb 0.85 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.74 3hux h ARG 103 CO 0.00 0.46 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.40 3hux h ASN 104 N -1.00 -0.52 -2.50 7.04 2.35 -1.77 -3.31 115.58 115.88 3hux h ASN 104 Ca -0.00 0.24 -0.51 0.00 -0.55 0.00 0.00 56.30 55.48 3hux h ASN 104 Cb 0.46 0.45 -0.37 0.00 0.05 0.00 0.00 38.32 38.90 3hux h ASN 104 CO 0.00 -0.27 -0.79 -0.76 -1.65 0.00 0.00 177.43 173.97 3hux s LEU 105 N -10.95 0.60 0.08 1.61 1.43 -1.26 -5.12 118.68 105.07 3hux s LEU 105 Ca -0.14 -1.76 0.07 0.00 -1.03 0.00 0.00 54.13 51.28 3hux s LEU 105 Cb 0.25 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.28 3hux s LEU 105 CO 0.77 -0.34 -0.12 -0.94 0.23 0.00 0.00 176.35 175.95 3hux s SER 106 N 1.48 4.26 0.00 2.29 1.04 -1.24 -4.61 113.70 116.92 3hux s SER 106 Ca 0.15 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3hux s SER 106 Cb -0.19 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.14 3hux s SER 106 CO -0.12 0.20 0.00 -0.90 0.98 0.00 0.00 173.24 173.41 3hux n ASP 107 N 0.95 0.00 -1.39 7.02 5.75 -1.26 -4.84 116.55 122.78 3hux n ASP 107 Ca -0.14 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.72 3hux n ASP 107 Cb 0.52 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.92 3hux n ASP 107 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3hux n ARG 108 N 0.00 3.25 -0.12 0.11 0.63 -1.26 -3.75 116.66 115.51 3hux n ARG 108 Ca 0.00 -2.48 -0.21 0.00 -0.92 0.00 0.00 57.85 54.24 3hux n ARG 108 Cb 0.00 -1.77 -0.12 0.00 0.45 0.00 0.00 32.46 31.03 3hux n ARG 108 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3hux n GLU 109 N 1.04 0.64 -0.24 -0.14 1.02 -1.26 -4.31 120.64 117.39 3hux n GLU 109 Ca 0.22 0.19 -0.00 0.00 -0.02 0.00 0.00 57.16 57.55 3hux n GLU 109 Cb 0.75 -1.53 0.22 0.00 -0.02 0.00 0.00 31.44 30.87 3hux n GLU 109 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hux h ILE 110 N -0.25 1.21 -0.77 -3.67 2.04 -1.82 -1.49 117.51 112.76 3hux h ILE 110 Ca -0.60 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 64.89 3hux h ILE 110 Cb 1.83 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 3hux h ILE 110 CO -0.16 0.20 0.51 0.03 0.00 0.00 0.00 178.15 178.73 3hux h ARG 111 N 1.06 0.95 0.45 2.37 3.08 -1.77 0.34 114.38 120.87 3hux h ARG 111 Ca 0.29 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3hux h ARG 111 Cb -0.10 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.74 3hux h ARG 111 CO -0.06 0.63 -0.22 0.00 -1.07 0.00 0.00 179.97 179.25 3hux h ARG 112 N 0.98 -0.58 -0.48 0.04 3.08 -1.47 -3.28 114.38 112.67 3hux h ARG 112 Ca 0.30 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.42 3hux h ARG 112 Cb -0.01 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3hux h ARG 112 CO -0.08 -0.39 0.32 0.87 -1.07 0.00 0.00 179.97 179.62 3hux h LYS 113 N -0.63 0.50 -2.93 0.04 1.57 -1.17 -3.10 116.57 110.85 3hux h LYS 113 Ca -0.06 -0.03 -0.81 0.00 -1.87 0.00 0.00 60.65 57.88 3hux h LYS 113 Cb 0.46 -0.11 -0.28 0.00 0.08 0.00 0.00 32.23 32.38 3hux h LYS 113 CO 0.10 0.33 0.77 1.28 -0.57 0.00 0.00 179.45 181.37 3hux n LEU 114 N -4.48 6.40 0.00 2.94 4.77 0.12 -4.78 117.00 121.98 3hux n LEU 114 Ca 0.05 -5.21 0.00 0.00 -0.03 0.00 0.00 56.01 50.82 3hux n LEU 114 Cb 0.16 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 3hux n LEU 114 CO 0.35 1.69 0.00 0.54 -1.33 0.00 0.00 177.39 178.64 3hux n ARG 115 N 1.35 0.00 -2.77 3.23 5.12 -1.17 -4.10 116.66 118.31 3hux n ARG 115 Ca 0.26 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 56.19 3hux n ARG 115 Cb 0.33 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.64 3hux n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hux s ALA 116 N -2.62 -4.39 0.47 7.54 0.00 -1.26 -3.89 121.76 117.61 3hux s ALA 116 Ca 0.00 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 3hux s ALA 116 Cb 0.00 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 20.01 3hux s ALA 116 CO 0.00 -2.49 0.75 -3.47 0.00 0.00 0.00 175.76 170.55 3hux n ASP 117 N 3.64 0.02 0.00 0.00 -0.08 -1.26 -4.83 116.55 114.05 3hux n ASP 117 Ca 0.06 0.90 0.00 0.00 -1.51 0.00 0.00 54.79 54.24 3hux n ASP 117 Cb 0.63 -1.24 0.00 0.00 2.34 0.00 0.00 41.12 42.85 3hux n ASP 117 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hux n ARG 118 N 0.11 0.00 -0.32 -0.67 1.74 -1.26 -3.53 116.66 112.73 3hux n ARG 118 Ca 0.11 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.35 3hux n ARG 118 Cb 0.42 -0.75 0.31 0.00 -1.02 0.00 0.00 32.46 31.42 3hux n ARG 118 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hux n LYS 119 N -2.65 -0.07 0.03 5.56 4.81 -1.26 0.43 118.16 125.01 3hux n LYS 119 Ca 0.00 1.38 -0.13 0.00 -0.87 0.00 0.00 58.31 58.69 3hux n LYS 119 Cb 0.46 -2.23 -0.14 0.00 0.02 0.00 0.00 35.03 33.14 3hux n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hux h ARG 120 N 0.00 0.14 -0.33 1.64 3.08 -1.92 -2.81 114.38 114.18 3hux h ARG 120 Ca 0.59 -0.23 -0.14 0.00 0.07 0.00 0.00 59.98 60.27 3hux h ARG 120 Cb 1.28 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 3hux h ARG 120 CO -0.86 0.91 -0.36 0.97 -1.07 0.00 0.00 179.97 179.57 3hux h ILE 121 N 0.04 1.28 -0.12 2.04 -0.00 0.16 -2.97 117.51 117.94 3hux h ILE 121 Ca -0.24 -1.53 -0.07 0.00 -0.00 0.00 0.00 64.86 63.02 3hux h ILE 121 Cb 1.98 1.41 0.00 0.00 -0.00 0.00 0.00 36.82 40.21 3hux h ILE 121 CO 0.12 0.50 -0.21 0.44 -0.00 0.00 0.00 178.15 179.00 3hux h ASP 122 N 0.64 0.40 0.26 2.19 3.32 0.87 -2.95 116.42 121.16 3hux h ASP 122 Ca 0.06 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3hux h ASP 122 Cb 0.91 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3hux h ASP 122 CO 0.08 0.87 0.00 0.00 -1.72 0.00 0.00 179.24 178.47 3hux n GLN 123 N -4.50 0.01 0.08 3.56 10.64 -1.06 -0.01 117.38 126.11 3hux n GLN 123 Ca -0.07 0.35 -0.14 0.00 -1.83 0.00 0.00 57.00 55.31 3hux n GLN 123 Cb 0.42 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.16 3hux n GLN 123 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 3hux h ASP 124 N 0.00 0.30 -0.17 2.61 3.32 -1.35 -2.44 116.42 118.69 3hux h ASP 124 Ca 0.00 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.63 3hux h ASP 124 Cb 0.13 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hux h ASP 124 CO 0.00 1.27 -0.21 0.03 -1.72 0.00 0.00 179.24 178.61 3hux h ARG 125 N 0.05 0.45 0.00 3.56 2.47 -0.39 -2.02 114.38 118.50 3hux h ARG 125 Ca -0.12 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 3hux h ARG 125 Cb 1.93 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.26 3hux h ARG 125 CO 0.18 0.83 0.00 0.00 0.56 0.00 0.00 179.97 181.54 3hux n ALA 126 N -2.45 1.30 1.67 0.04 0.00 -0.45 0.49 120.51 121.12 3hux n ALA 126 Ca -0.06 0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.48 3hux n ALA 126 Cb 0.41 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.66 3hux n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hux n ALA 127 N -1.68 2.35 1.14 0.00 0.00 -0.76 -3.40 120.51 118.16 3hux n ALA 127 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hux n ALA 127 Cb 0.10 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3hux n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3hux n GLU 128 N -0.54 0.74 -1.00 0.00 -0.00 0.18 -4.63 120.64 115.38 3hux n GLU 128 Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 57.16 56.84 3hux n GLU 128 Cb 0.01 -1.17 -0.11 0.00 -0.00 0.00 0.00 31.44 30.17 3hux n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3hux n ARG 129 N -0.21 0.21 -0.04 3.44 3.00 -1.22 -4.27 116.66 117.57 3hux n ARG 129 Ca 0.00 -1.38 0.12 0.00 -0.00 0.00 0.00 57.85 56.59 3hux n ARG 129 Cb 0.08 -3.10 0.34 0.00 0.00 0.00 0.00 32.46 29.78 3hux n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hux n ALA 130 N 13.10 2.51 -1.19 5.13 0.00 -1.26 -4.93 120.51 133.87 3hux n ALA 130 Ca 0.45 -0.60 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 3hux n ALA 130 Cb 0.44 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.75 3hux n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hux n ALA 131 N 0.68 0.27 -3.01 0.00 0.00 -1.26 -4.79 120.51 112.39 3hux n ALA 131 Ca 0.17 -0.25 -0.44 0.00 0.00 0.00 0.00 53.44 52.92 3hux n ALA 131 Cb 0.44 -1.80 -0.00 0.00 0.00 0.00 0.00 19.45 18.09 3hux n ALA 131 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hux s LYS 132 N 7.05 4.04 -0.57 0.00 1.02 -1.26 -4.97 119.74 125.04 3hux s LYS 132 Ca 1.08 -2.58 -0.26 0.00 0.02 0.00 0.00 55.97 54.23 3hux s LYS 132 Cb -0.98 -4.96 -0.05 0.00 -0.52 0.00 0.00 37.83 31.32 3hux s LYS 132 CO 0.39 -1.68 2.18 -2.00 -0.92 0.00 0.00 175.35 173.32 3hux s GLU 133 N 1.26 2.29 -0.08 1.68 2.56 -1.26 -4.88 118.70 120.26 3hux s GLU 133 Ca 0.39 0.99 -0.03 0.00 0.00 0.00 0.00 54.97 56.31 3hux s GLU 133 Cb -0.04 -4.54 0.05 0.00 2.00 0.00 0.00 34.13 31.59 3hux s GLU 133 CO -0.02 -3.14 0.16 -2.00 -0.56 0.00 0.00 175.26 169.70 3hux s GLU 134 N 7.78 0.05 -0.68 4.30 2.56 -1.26 -5.00 118.70 126.45 3hux s GLU 134 Ca 0.84 0.52 -0.01 0.00 0.00 0.00 0.00 54.97 56.33 3hux s GLU 134 Cb -0.15 -0.24 -0.01 0.00 2.00 0.00 0.00 34.13 35.73 3hux s GLU 134 CO 0.22 -0.27 0.63 0.00 -0.56 0.00 0.00 175.26 175.28 3hux n ALA 135 N 5.04 -2.34 0.02 6.30 0.00 -1.26 -4.90 120.51 123.37 3hux n ALA 135 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3hux n ALA 135 Cb 0.50 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.05 3hux n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3hux n GLN 136 N -1.88 0.00 -3.70 0.00 -0.06 -1.26 -5.07 117.38 105.41 3hux n GLN 136 Ca -0.01 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.69 3hux n GLN 136 Cb 0.52 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.57 3hux n GLN 136 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3hux s LYS 137 N -1.67 1.20 0.00 3.69 -0.14 -1.26 -5.29 119.74 116.27 3hux s LYS 137 Ca 0.00 -1.89 0.00 0.00 -1.36 0.00 0.00 55.97 52.72 3hux s LYS 137 Cb 0.00 -2.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 3hux s LYS 137 CO 0.00 -1.15 0.00 0.00 -0.76 0.00 0.00 175.35 173.44