#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hma s ASN 6 N 0.00 7.34 -0.19 4.52 3.04 -1.26 -4.95 114.94 123.44 3hma s ASN 6 Ca 0.00 1.96 -0.02 0.00 0.04 0.00 0.00 52.86 54.83 3hma s ASN 6 Cb 0.00 -2.59 -0.01 0.00 -1.54 0.00 0.00 41.25 37.11 3hma s ASN 6 CO 0.00 -0.18 -0.08 -0.63 -3.04 0.00 0.00 177.10 173.16 3hma s ILE 7 N 0.00 3.16 -0.22 -5.21 1.01 -1.26 -2.14 121.20 116.54 3hma s ILE 7 Ca 0.49 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 3hma s ILE 7 Cb -0.27 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3hma s ILE 7 CO 0.32 0.47 0.07 -0.63 0.00 0.00 0.00 174.94 175.16 3hma s ILE 8 N 1.12 4.50 -0.16 2.92 1.01 0.13 -4.98 121.20 125.73 3hma s ILE 8 Ca 0.01 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 3hma s ILE 8 Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 3hma s ILE 8 CO -0.02 0.39 0.48 -1.10 0.00 0.00 0.00 174.94 174.69 3hma s GLN 9 N 1.11 4.27 -0.44 2.79 -0.21 -1.26 -1.11 119.66 124.80 3hma s GLN 9 Ca 0.04 0.40 0.07 0.00 0.02 0.00 0.00 55.36 55.89 3hma s GLN 9 Cb -0.14 -3.49 0.25 0.00 1.00 0.00 0.00 33.01 30.62 3hma s GLN 9 CO 0.03 0.03 0.73 -3.47 -2.12 0.00 0.00 175.29 170.49 3hma n ASP 10 N 4.17 -1.50 -4.60 5.90 2.03 -0.59 -4.94 116.55 117.01 3hma n ASP 10 Ca -0.06 -3.05 -0.37 0.00 0.52 0.00 0.00 54.79 51.83 3hma n ASP 10 Cb 0.51 0.73 0.07 0.00 -0.72 0.00 0.00 41.12 41.71 3hma n ASP 10 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3hma n PHE 11 N 1.49 0.63 -2.50 -0.67 0.99 -1.24 -4.55 117.46 111.61 3hma n PHE 11 Ca 0.14 0.41 -0.39 0.00 -0.00 0.00 0.00 57.45 57.61 3hma n PHE 11 Cb 0.59 -2.10 -0.04 0.00 -1.00 0.00 0.00 39.48 36.93 3hma n PHE 11 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3hma s ILE 12 N -1.67 3.55 0.23 4.37 1.01 -0.36 -4.95 121.20 123.39 3hma s ILE 12 Ca 0.75 1.48 -0.31 0.00 0.00 0.00 0.00 60.65 62.56 3hma s ILE 12 Cb -0.38 -3.90 -0.13 0.00 0.01 0.00 0.00 42.46 38.05 3hma s ILE 12 CO 0.49 0.29 1.44 -2.65 0.00 0.00 0.00 174.94 174.50 3hma n PRO 13 N 0.91 2.08 -1.75 2.79 -0.02 -1.26 -4.91 135.00 132.85 3hma n PRO 13 Ca 0.00 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.82 3hma n PRO 13 Cb 0.46 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.52 3hma n PRO 13 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hma n VAL 14 N 2.11 2.35 -0.08 -1.45 0.31 -1.26 -2.02 118.33 118.29 3hma n VAL 14 Ca 0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3hma n VAL 14 Cb 0.31 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 3hma n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hma n GLY 15 N 0.60 1.70 3.75 2.92 0.00 -1.26 -5.04 105.19 107.85 3hma n GLY 15 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3hma n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hma s ALA 16 N -2.70 2.26 0.31 4.61 0.00 -0.86 -4.91 121.76 120.48 3hma s ALA 16 Ca 0.00 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.61 3hma s ALA 16 Cb 0.00 -3.37 0.60 0.00 0.00 0.00 0.00 23.12 20.35 3hma s ALA 16 CO 0.00 -1.64 1.90 -0.91 0.00 0.00 0.00 175.76 175.12 3hma h ASN 17 N -0.36 0.85 -0.34 0.00 -0.26 -1.83 -0.96 115.58 112.67 3hma h ASN 17 Ca -0.46 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.29 3hma h ASN 17 Cb 1.26 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 3hma h ASN 17 CO 0.51 0.52 0.00 -0.46 -1.06 0.00 0.00 177.43 176.94 3hma n ASN 18 N -4.51 3.47 -3.61 5.81 2.04 -1.24 -4.39 115.26 112.82 3hma n ASN 18 Ca 0.14 -2.44 -0.27 0.00 -0.44 0.00 0.00 54.58 51.57 3hma n ASN 18 Cb 0.25 -0.55 -0.10 0.00 -2.53 0.00 0.00 39.78 36.85 3hma n ASN 18 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 3hma n ARG 19 N 0.42 1.44 -0.24 -3.83 0.63 -0.37 -4.53 116.66 110.18 3hma n ARG 19 Ca 0.16 -4.06 0.01 0.00 -0.92 0.00 0.00 57.85 53.03 3hma n ARG 19 Cb 0.72 -2.01 0.08 0.00 0.45 0.00 0.00 32.46 31.70 3hma n ARG 19 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3hma h PRO 20 N 5.07 0.01 0.00 -0.14 0.11 -1.77 -3.40 132.00 131.88 3hma h PRO 20 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3hma h PRO 20 Cb 0.79 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3hma h PRO 20 CO 0.63 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 3hma n GLY 21 N -1.46 0.50 3.73 -0.55 0.00 -1.26 -5.00 105.19 101.15 3hma n GLY 21 Ca 0.09 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 3hma n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hma s TYR 22 N -2.00 3.43 0.48 1.61 2.02 -1.26 -4.87 117.35 116.77 3hma s TYR 22 Ca 0.00 1.40 -0.24 0.00 -0.37 0.00 0.00 57.07 57.87 3hma s TYR 22 Cb 0.00 -3.43 -0.07 0.00 -0.40 0.00 0.00 41.96 38.06 3hma s TYR 22 CO 0.00 -1.21 1.30 0.00 -1.57 0.00 0.00 175.55 174.07 3hma n ALA 23 N 2.75 1.44 -3.24 3.71 0.00 -1.26 -1.75 120.51 122.16 3hma n ALA 23 Ca 0.05 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.56 3hma n ALA 23 Cb 0.45 -2.31 -0.14 0.00 0.00 0.00 0.00 19.45 17.46 3hma n ALA 23 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3hma s MET 24 N -2.52 0.10 -0.47 0.00 1.75 0.43 -4.72 119.30 113.86 3hma s MET 24 Ca 0.66 0.20 0.04 0.00 -1.25 0.00 0.00 55.69 55.34 3hma s MET 24 Cb -0.46 -0.03 0.12 0.00 2.84 0.00 0.00 34.83 37.30 3hma s MET 24 CO 0.54 -0.07 0.21 0.99 -0.65 0.00 0.00 175.02 176.04 3hma s THR 25 N 0.43 2.53 -0.03 10.11 2.01 -1.26 -4.51 115.64 124.92 3hma s THR 25 Ca -0.03 -3.07 -0.34 0.00 0.31 0.00 0.00 61.69 58.56 3hma s THR 25 Cb -0.05 -2.78 -0.12 0.00 0.01 0.00 0.00 72.50 69.56 3hma s THR 25 CO -0.02 -0.75 1.84 -0.81 -0.69 0.00 0.00 174.62 174.19 3hma n PRO 26 N 3.41 2.25 -0.00 4.92 -0.04 -1.26 -4.86 135.00 139.41 3hma n PRO 26 Ca 0.05 0.82 0.04 0.00 -0.04 0.00 0.00 63.50 64.37 3hma n PRO 26 Cb 0.35 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 31.09 3hma n PRO 26 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hma n LEU 27 N 6.13 0.28 -4.28 1.53 4.77 -0.31 -4.91 117.00 120.21 3hma n LEU 27 Ca 0.21 -0.39 -0.15 0.00 -0.03 0.00 0.00 56.01 55.66 3hma n LEU 27 Cb 0.30 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 3hma n LEU 27 CO 0.71 0.07 -0.28 -0.31 -1.33 0.00 0.00 177.39 176.25 3hma s TYR 28 N -1.92 1.40 -0.08 -1.77 2.02 -0.86 -4.76 117.35 111.39 3hma s TYR 28 Ca 0.02 -1.13 -0.01 0.00 -0.37 0.00 0.00 57.07 55.57 3hma s TYR 28 Cb 0.06 -0.81 0.03 0.00 -0.40 0.00 0.00 41.96 40.84 3hma s TYR 28 CO 0.32 -0.30 -0.01 0.42 -1.57 0.00 0.00 175.55 174.41 3hma s ILE 29 N -3.74 0.45 -0.20 2.71 1.01 -0.72 -1.36 121.20 119.35 3hma s ILE 29 Ca 0.33 0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.98 3hma s ILE 29 Cb 0.07 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 3hma s ILE 29 CO 0.10 0.27 0.07 -0.89 0.00 0.00 0.00 174.94 174.48 3hma s THR 30 N 1.94 4.67 -0.14 2.92 2.01 -0.03 -0.38 115.64 126.63 3hma s THR 30 Ca 0.05 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 3hma s THR 30 Cb -0.12 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 3hma s THR 30 CO -0.06 0.42 0.12 -0.69 -0.69 0.00 0.00 174.62 173.73 3hma s VAL 31 N 0.70 5.31 0.22 3.82 1.01 -0.17 -0.65 120.40 130.64 3hma s VAL 31 Ca 0.03 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.20 3hma s VAL 31 Cb -0.13 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 3hma s VAL 31 CO 0.02 0.56 -0.03 -1.00 0.00 0.00 0.00 175.10 174.65 3hma s HIS 32 N -0.56 1.57 -0.09 5.22 3.76 0.16 -2.08 115.29 123.28 3hma s HIS 32 Ca 0.12 -0.86 0.01 0.00 -0.15 0.00 0.00 55.06 54.19 3hma s HIS 32 Cb -0.12 -0.89 0.02 0.00 1.11 0.00 0.00 32.58 32.70 3hma s HIS 32 CO 0.02 0.03 -0.11 -0.80 -0.85 0.00 0.00 174.74 173.03 3hma s ASN 33 N -3.30 2.00 0.55 1.40 0.01 -1.26 -1.64 114.94 112.69 3hma s ASN 33 Ca 0.27 -0.32 0.36 0.00 -0.71 0.00 0.00 52.86 52.45 3hma s ASN 33 Cb 0.05 -0.87 1.94 0.00 0.41 0.00 0.00 41.25 42.78 3hma s ASN 33 CO 0.08 -0.02 2.09 0.71 -1.51 0.00 0.00 177.10 178.45 3hma h THR 34 N 6.04 0.00 -3.72 1.60 1.35 -1.77 -3.45 112.91 112.96 3hma h THR 34 Ca -0.31 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.30 3hma h THR 34 Cb 1.17 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 3hma h THR 34 CO 0.46 0.00 -0.32 0.00 -0.25 0.00 0.00 175.52 175.41 3hma n ALA 35 N -1.96 -0.75 -3.96 6.62 0.00 -1.26 -4.91 120.51 114.28 3hma n ALA 35 Ca -0.02 0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 3hma n ALA 35 Cb 0.08 -1.50 -0.14 0.00 0.00 0.00 0.00 19.45 17.89 3hma n ALA 35 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hma s ASN 36 N -2.03 4.78 0.00 0.00 3.84 -1.26 -4.96 114.94 115.32 3hma s ASN 36 Ca 0.00 -2.30 0.29 0.00 0.21 0.00 0.00 52.86 51.06 3hma s ASN 36 Cb 0.00 -1.67 1.28 0.00 -0.55 0.00 0.00 41.25 40.31 3hma s ASN 36 CO 0.00 -0.38 1.88 0.35 -2.79 0.00 0.00 177.10 176.16 3hma n THR 37 N 4.09 0.00 -1.72 -5.21 -2.24 -1.26 -3.03 114.28 104.91 3hma n THR 37 Ca 0.03 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 3hma n THR 37 Cb 0.40 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 3hma n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hma n ALA 38 N -0.38 1.68 -1.84 6.98 0.00 -1.26 -1.12 120.51 124.57 3hma n ALA 38 Ca 0.19 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.58 3hma n ALA 38 Cb 0.28 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.39 3hma n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hma s VAL 39 N -0.97 2.43 0.00 0.00 0.11 -1.26 -1.92 120.40 118.79 3hma s VAL 39 Ca 0.56 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.97 3hma s VAL 39 Cb -0.54 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 3hma s VAL 39 CO 0.61 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 173.05 3hma n GLY 40 N 2.34 1.51 2.37 6.54 0.00 -1.26 -4.93 105.19 111.76 3hma n GLY 40 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3hma n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hma n ALA 41 N -1.14 7.14 -2.87 4.61 0.00 -0.81 -4.64 120.51 122.81 3hma n ALA 41 Ca 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 53.44 50.02 3hma n ALA 41 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 19.45 16.12 3hma n ALA 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hma n ASP 42 N 3.79 0.44 -0.02 0.00 3.85 -1.26 -4.14 116.55 119.20 3hma n ASP 42 Ca 0.74 -1.33 -0.09 0.00 -0.71 0.00 0.00 54.79 53.40 3hma n ASP 42 Cb 0.23 -0.11 -0.03 0.00 -1.35 0.00 0.00 41.12 39.86 3hma n ASP 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hma h ALA 43 N 0.23 0.08 -0.43 2.12 0.00 -1.88 -1.14 119.26 118.24 3hma h ALA 43 Ca -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hma h ALA 43 Cb 0.28 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hma h ALA 43 CO 0.09 -0.50 0.19 0.00 0.00 0.00 0.00 179.25 179.02 3hma h ALA 44 N 1.11 1.53 -0.32 0.00 0.00 -1.94 -0.58 119.26 119.07 3hma h ALA 44 Ca 0.08 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3hma h ALA 44 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hma h ALA 44 CO -0.18 0.37 -0.22 0.00 0.00 0.00 0.00 179.25 179.22 3hma h ALA 45 N 1.61 0.46 -0.85 0.00 0.00 -1.69 -2.46 119.26 116.33 3hma h ALA 45 Ca 0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3hma h ALA 45 Cb 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3hma h ALA 45 CO -0.02 0.42 0.41 0.45 0.00 0.00 0.00 179.25 180.51 3hma h HIS 46 N 0.48 1.23 -0.75 0.00 3.86 -0.67 -0.81 115.15 118.48 3hma h HIS 46 Ca 0.06 -0.06 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 3hma h HIS 46 Cb 0.77 -0.38 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 3hma h HIS 46 CO 0.07 0.89 0.49 0.00 0.86 0.00 0.00 177.93 180.24 3hma h ALA 47 N 1.22 1.66 -0.06 2.45 0.00 -0.97 -0.36 119.26 123.20 3hma h ALA 47 Ca 0.29 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 3hma h ALA 47 Cb 0.13 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hma h ALA 47 CO -0.04 0.22 -0.56 -0.09 0.00 0.00 0.00 179.25 178.79 3hma h ARG 48 N 0.81 0.49 -0.50 0.00 2.43 -0.93 -3.27 114.38 113.40 3hma h ARG 48 Ca 0.32 -0.44 0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3hma h ARG 48 Cb 0.23 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 3hma h ARG 48 CO -0.11 1.08 0.27 -0.92 -1.51 0.00 0.00 179.97 178.78 3hma h TYR 49 N 0.06 0.50 0.00 2.20 3.20 -0.43 -2.60 116.97 119.91 3hma h TYR 49 Ca -0.05 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 3hma h TYR 49 Cb 1.23 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 3hma h TYR 49 CO 0.12 0.26 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.83 3hma h LEU 50 N 0.53 0.00 0.00 2.82 3.38 -1.17 -1.97 115.31 118.90 3hma h LEU 50 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hma h LEU 50 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hma h LEU 50 CO -0.13 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.70 3hma n LYS 51 N -4.08 0.68 -2.29 1.13 5.02 -0.98 -4.80 118.16 112.84 3hma n LYS 51 Ca -0.03 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 3hma n LYS 51 Cb 0.09 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3hma n LYS 51 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hma s ASN 52 N -2.28 6.91 0.47 4.39 0.02 -0.74 -4.89 114.94 118.82 3hma s ASN 52 Ca 0.36 2.02 0.16 0.00 -1.02 0.00 0.00 52.86 54.39 3hma s ASN 52 Cb 0.20 -2.56 0.90 0.00 0.02 0.00 0.00 41.25 39.80 3hma s ASN 52 CO 0.39 -0.68 1.43 -0.65 0.02 0.00 0.00 177.10 177.61 3hma h PRO 53 N 7.73 0.00 0.00 -0.60 0.11 -1.90 -1.54 132.00 135.81 3hma h PRO 53 Ca -0.37 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.60 3hma h PRO 53 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3hma h PRO 53 CO 0.90 0.00 -1.35 -0.25 -0.21 0.00 0.00 178.00 177.09 3hma n ASP 54 N -2.35 0.86 -4.76 -2.05 9.92 -1.26 -4.67 116.55 112.24 3hma n ASP 54 Ca -0.01 0.37 -0.39 0.00 -0.53 0.00 0.00 54.79 54.23 3hma n ASP 54 Cb 0.44 0.21 0.03 0.00 -0.64 0.00 0.00 41.12 41.16 3hma n ASP 54 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3hma s THR 55 N -3.00 2.22 -0.04 -3.53 -4.23 -0.58 -4.94 115.64 101.53 3hma s THR 55 Ca -0.03 0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.70 3hma s THR 55 Cb 0.09 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.78 3hma s THR 55 CO 0.81 0.01 0.09 0.35 -0.54 0.00 0.00 174.62 175.34 3hma n THR 56 N -0.68 0.00 -3.88 3.99 -2.24 -1.26 -3.74 114.28 106.47 3hma n THR 56 Ca 0.08 -0.17 -0.31 0.00 -2.27 0.00 0.00 64.05 61.38 3hma n THR 56 Cb 0.44 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 3hma n THR 56 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hma s THR 57 N -2.00 5.36 -0.08 4.28 -4.23 -1.26 -4.55 115.64 113.16 3hma s THR 57 Ca -0.01 -0.31 -0.25 0.00 -1.18 0.00 0.00 61.69 59.95 3hma s THR 57 Cb 0.02 -3.62 0.06 0.00 1.34 0.00 0.00 72.50 70.30 3hma s THR 57 CO 0.14 0.14 0.57 -0.94 -0.54 0.00 0.00 174.62 174.00 3hma s SER 58 N -2.44 -0.54 0.18 3.99 1.04 -0.17 -4.89 113.70 110.87 3hma s SER 58 Ca 0.35 0.67 -0.02 0.00 0.48 0.00 0.00 55.95 57.44 3hma s SER 58 Cb -0.13 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 3hma s SER 58 CO 0.27 -0.48 0.12 -1.66 0.98 0.00 0.00 173.24 172.47 3hma s TRP 59 N -0.88 1.01 -0.05 5.02 -2.14 -1.26 -1.56 118.94 119.08 3hma s TRP 59 Ca -0.09 -1.29 -0.22 0.00 2.66 0.00 0.00 56.10 57.15 3hma s TRP 59 Cb -0.02 -0.50 -0.30 0.00 -3.10 0.00 0.00 33.47 29.55 3hma s TRP 59 CO 0.07 -0.61 0.92 0.45 -2.66 0.00 0.00 176.95 175.11 3hma h HIS 60 N 2.69 0.51 -4.14 1.66 3.86 -1.69 -3.39 115.15 114.65 3hma h HIS 60 Ca -0.35 -0.36 -0.46 0.00 -1.16 0.00 0.00 60.37 58.04 3hma h HIS 60 Cb 1.23 -0.03 -0.28 0.00 1.06 0.00 0.00 27.41 29.39 3hma h HIS 60 CO 0.38 1.26 -0.80 -0.06 0.86 0.00 0.00 177.93 179.57 3hma s PHE 61 N -2.53 1.16 -0.10 2.45 0.08 -0.36 -1.46 117.98 117.21 3hma s PHE 61 Ca -0.14 -0.24 0.03 0.00 0.12 0.00 0.00 56.93 56.70 3hma s PHE 61 Cb 0.01 -0.73 0.01 0.00 -0.57 0.00 0.00 43.02 41.73 3hma s PHE 61 CO 0.82 -0.01 -0.20 0.99 -0.10 0.00 0.00 175.22 176.72 3hma s THR 62 N -0.40 1.82 -0.12 0.64 2.01 -0.53 -0.10 115.64 118.96 3hma s THR 62 Ca 0.04 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.21 3hma s THR 62 Cb -0.05 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.86 3hma s THR 62 CO -0.00 0.50 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.52 3hma s VAL 63 N 0.59 2.12 0.19 3.82 1.01 0.14 -1.45 120.40 126.83 3hma s VAL 63 Ca -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.86 3hma s VAL 63 Cb -0.17 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3hma s VAL 63 CO 0.04 0.55 0.02 -0.90 0.00 0.00 0.00 175.10 174.81 3hma n ASP 64 N 3.74 2.44 0.01 3.32 5.68 -0.72 -1.20 116.55 129.81 3hma n ASP 64 Ca -0.19 -1.82 0.09 0.00 -0.50 0.00 0.00 54.79 52.36 3hma n ASP 64 Cb 0.52 0.12 0.40 0.00 -1.14 0.00 0.00 41.12 41.02 3hma n ASP 64 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3hma n ASP 65 N -1.20 0.04 -0.07 -1.12 5.75 -1.26 -3.92 116.55 114.76 3hma n ASP 65 Ca -0.07 0.51 -0.10 0.00 -0.01 0.00 0.00 54.79 55.11 3hma n ASP 65 Cb 0.24 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.76 3hma n ASP 65 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3hma n THR 66 N -1.54 0.77 -3.63 2.12 -1.04 -1.26 -4.69 114.28 105.01 3hma n THR 66 Ca 0.04 -0.28 -0.06 0.00 -2.04 0.00 0.00 64.05 61.72 3hma n THR 66 Cb 0.22 -1.09 -0.00 0.00 -1.82 0.00 0.00 70.33 67.64 3hma n THR 66 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3hma n GLU 67 N -3.01 0.46 -4.25 -2.82 0.28 -1.25 -4.74 120.64 105.31 3hma n GLU 67 Ca -0.24 -1.30 -0.18 0.00 -0.16 0.00 0.00 57.16 55.28 3hma n GLU 67 Cb 0.74 1.40 -0.15 0.00 1.43 0.00 0.00 31.44 34.86 3hma n GLU 67 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3hma s ILE 68 N -2.59 0.56 -0.01 3.84 1.01 -0.91 -1.76 121.20 121.33 3hma s ILE 68 Ca 0.12 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.57 3hma s ILE 68 Cb -0.01 -0.49 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 3hma s ILE 68 CO 0.09 0.17 -0.22 -0.31 0.00 0.00 0.00 174.94 174.67 3hma s TYR 69 N 0.04 2.46 -0.20 3.97 1.51 -0.53 0.17 117.35 124.77 3hma s TYR 69 Ca -0.00 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 3hma s TYR 69 Cb -0.05 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 3hma s TYR 69 CO -0.00 0.08 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.26 3hma s GLN 70 N -0.83 3.22 -0.00 -0.62 0.74 -0.27 -1.45 119.66 120.46 3hma s GLN 70 Ca 0.11 -0.71 0.21 0.00 0.05 0.00 0.00 55.36 55.02 3hma s GLN 70 Cb -0.10 -2.80 -0.23 0.00 1.10 0.00 0.00 33.01 30.97 3hma s GLN 70 CO 0.01 -0.16 0.84 0.72 -0.55 0.00 0.00 175.29 176.14 3hma n HIS 71 N 4.61 0.00 -3.94 1.67 8.25 -0.53 -1.54 115.22 123.74 3hma n HIS 71 Ca -0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.17 3hma n HIS 71 Cb 0.51 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.47 3hma n HIS 71 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hma s LEU 72 N -3.10 1.90 0.40 2.41 1.02 -1.25 -1.22 118.68 118.83 3hma s LEU 72 Ca 0.06 -0.46 -0.23 0.00 0.02 0.00 0.00 54.13 53.53 3hma s LEU 72 Cb 0.15 0.45 -0.10 0.00 0.02 0.00 0.00 46.19 46.72 3hma s LEU 72 CO 0.85 -0.41 0.97 -2.16 0.02 0.00 0.00 176.35 175.61 3hma s PRO 73 N -1.99 4.31 0.00 1.29 0.04 -1.26 -4.90 135.00 132.49 3hma s PRO 73 Ca -0.10 1.25 0.12 0.00 0.04 0.00 0.00 61.00 62.31 3hma s PRO 73 Cb -0.05 -2.42 0.72 0.00 0.04 0.00 0.00 34.50 32.79 3hma s PRO 73 CO -0.02 0.03 1.20 1.28 0.04 0.00 0.00 177.00 179.53 3hma n LEU 74 N -0.21 0.00 -1.06 -3.56 4.77 -1.26 -2.01 117.00 113.67 3hma n LEU 74 Ca 0.05 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 3hma n LEU 74 Cb 0.52 -0.06 0.16 0.00 -2.33 0.00 0.00 43.42 41.72 3hma n LEU 74 CO 0.40 -0.03 0.67 -0.46 -1.33 0.00 0.00 177.39 176.64 3hma n ASN 75 N -1.06 3.25 -4.40 -1.43 6.94 -1.26 -4.68 115.26 112.62 3hma n ASN 75 Ca 0.09 -2.00 -0.24 0.00 -0.02 0.00 0.00 54.58 52.41 3hma n ASN 75 Cb 0.05 -0.13 -0.11 0.00 -2.36 0.00 0.00 39.78 37.24 3hma n ASN 75 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3hma s GLU 76 N -1.74 1.46 0.56 -3.83 2.02 -0.85 -0.42 118.70 115.89 3hma s GLU 76 Ca 0.34 -1.55 -0.00 0.00 0.02 0.00 0.00 54.97 53.77 3hma s GLU 76 Cb 0.22 -1.59 0.03 0.00 0.10 0.00 0.00 34.13 32.89 3hma s GLU 76 CO 0.31 0.32 0.80 0.54 0.02 0.00 0.00 175.26 177.25 3hma s ASN 77 N -2.94 5.33 0.32 -0.19 4.22 -0.72 -4.75 114.94 116.21 3hma s ASN 77 Ca 0.22 0.15 0.03 0.00 -2.14 0.00 0.00 52.86 51.12 3hma s ASN 77 Cb -0.06 -1.07 -0.05 0.00 1.28 0.00 0.00 41.25 41.35 3hma s ASN 77 CO 0.10 -1.12 0.08 -0.83 -2.04 0.00 0.00 177.10 173.28 3hma s GLY 78 N -4.39 2.06 -0.45 0.45 0.00 -1.25 -4.45 107.32 99.29 3hma s GLY 78 Ca 0.56 -1.90 -0.05 0.00 0.00 0.00 0.00 44.72 43.33 3hma s GLY 78 CO 0.40 -1.76 0.27 -0.98 0.00 0.00 0.00 173.10 171.03 3hma s TRP 79 N -3.40 3.53 0.00 1.90 0.23 -0.60 -4.72 118.94 115.88 3hma s TRP 79 Ca 0.35 -2.25 0.00 0.00 -2.03 0.00 0.00 56.10 52.17 3hma s TRP 79 Cb 0.08 -3.32 0.00 0.00 0.03 0.00 0.00 33.47 30.25 3hma s TRP 79 CO 0.15 -0.97 0.00 -2.39 0.96 0.00 0.00 176.95 174.70 3hma n HIS 80 N 4.62 0.00 0.23 -1.98 1.44 -1.24 -1.00 115.22 117.30 3hma n HIS 80 Ca -0.03 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.78 3hma n HIS 80 Cb 0.41 0.00 0.57 0.00 0.12 0.00 0.00 29.99 31.09 3hma n HIS 80 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hma h ALA 81 N 0.00 1.21 -0.69 1.59 0.00 -1.87 -3.47 119.26 116.03 3hma h ALA 81 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3hma h ALA 81 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hma h ALA 81 CO 0.00 0.26 -0.15 0.41 0.00 0.00 0.00 179.25 179.77 3hma n GLY 82 N -0.37 0.38 1.98 0.00 0.00 -1.26 -4.10 105.19 101.82 3hma n GLY 82 Ca -0.01 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 3hma n GLY 82 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hma n ASP 83 N 0.85 4.19 0.00 1.61 5.75 -1.26 -4.79 116.55 122.90 3hma n ASP 83 Ca -0.07 -3.54 0.00 0.00 -0.01 0.00 0.00 54.79 51.17 3hma n ASP 83 Cb 0.43 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3hma n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hma n GLY 84 N -0.72 3.18 1.59 6.12 0.00 -1.26 -0.87 105.19 113.23 3hma n GLY 84 Ca 0.37 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.74 3hma n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hma n ASN 85 N 8.37 5.09 -3.38 1.61 5.03 -1.26 -4.59 115.26 126.13 3hma n ASN 85 Ca 0.00 -2.82 -0.26 0.00 0.87 0.00 0.00 54.58 52.37 3hma n ASN 85 Cb 0.00 -0.62 0.22 0.00 -1.02 0.00 0.00 39.78 38.36 3hma n ASN 85 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hma n GLY 86 N 0.49 -2.87 0.30 7.41 0.00 -0.04 -4.51 105.19 105.97 3hma n GLY 86 Ca 0.26 -1.46 0.18 0.00 0.00 0.00 0.00 46.02 45.00 3hma n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hma h SER 87 N -2.59 0.00 0.46 1.61 0.02 -1.93 0.28 113.55 111.40 3hma h SER 87 Ca -0.35 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 3hma h SER 87 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3hma h SER 87 CO 0.23 0.03 -0.22 1.23 -1.14 0.00 0.00 176.83 176.96 3hma h GLY 88 N 0.70 -0.64 1.47 -3.77 0.00 -1.90 0.15 103.07 99.07 3hma h GLY 88 Ca -0.00 0.24 -0.30 0.00 0.00 0.00 0.00 47.33 47.27 3hma h GLY 88 CO 0.00 -0.23 -1.32 3.43 0.00 0.00 0.00 176.54 178.42 3hma h ASN 89 N -0.84 0.62 0.01 0.19 2.35 -1.77 -3.29 115.58 112.85 3hma h ASN 89 Ca -0.06 -0.65 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 3hma h ASN 89 Cb 0.57 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3hma h ASN 89 CO 0.10 1.50 -0.10 0.54 -1.65 0.00 0.00 177.43 177.82 3hma n ARG 90 N -3.63 1.78 -1.60 0.81 5.12 0.07 -3.77 116.66 115.44 3hma n ARG 90 Ca -0.12 -1.32 -0.01 0.00 -1.93 0.00 0.00 57.85 54.47 3hma n ARG 90 Cb 1.05 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 3hma n ARG 90 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hma n ALA 91 N 0.55 2.93 -2.74 7.54 0.00 0.02 -4.63 120.51 124.17 3hma n ALA 91 Ca 0.15 -1.70 -0.10 0.00 0.00 0.00 0.00 53.44 51.79 3hma n ALA 91 Cb 0.47 -0.62 -0.09 0.00 0.00 0.00 0.00 19.45 19.21 3hma n ALA 91 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hma s SER 92 N -1.79 0.11 -0.24 0.00 1.04 -1.10 -1.16 113.70 110.56 3hma s SER 92 Ca 0.19 -0.49 -0.15 0.00 0.48 0.00 0.00 55.95 55.98 3hma s SER 92 Cb 0.25 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 3hma s SER 92 CO -0.09 -0.57 0.38 -0.63 0.98 0.00 0.00 173.24 173.31 3hma s ILE 93 N -2.81 5.19 -0.09 -1.02 1.01 -0.46 -4.76 121.20 118.25 3hma s ILE 93 Ca -0.03 0.63 -0.21 0.00 0.00 0.00 0.00 60.65 61.04 3hma s ILE 93 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3hma s ILE 93 CO -0.05 0.20 0.60 -0.83 0.00 0.00 0.00 174.94 174.85 3hma s GLY 94 N 1.36 2.51 -0.06 6.18 0.00 -1.26 -0.85 107.32 115.19 3hma s GLY 94 Ca 0.17 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.91 3hma s GLY 94 CO 0.09 0.99 -0.18 -0.42 0.00 0.00 0.00 173.10 173.58 3hma s ILE 95 N 0.73 1.55 -0.10 0.90 1.01 0.18 -1.23 121.20 124.23 3hma s ILE 95 Ca 0.32 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3hma s ILE 95 Cb -0.16 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 3hma s ILE 95 CO 0.14 0.44 -0.12 -1.61 0.00 0.00 0.00 174.94 173.80 3hma s GLU 96 N 0.27 3.07 -0.18 2.79 0.41 0.86 0.39 118.70 126.31 3hma s GLU 96 Ca -0.10 -0.66 -0.02 0.00 -0.41 0.00 0.00 54.97 53.78 3hma s GLU 96 Cb -0.14 -2.58 -0.01 0.00 -1.78 0.00 0.00 34.13 29.62 3hma s GLU 96 CO 0.04 0.40 -0.08 0.42 -0.49 0.00 0.00 175.26 175.55 3hma s ILE 97 N -0.12 3.22 0.64 -1.63 1.01 -0.65 0.28 121.20 123.96 3hma s ILE 97 Ca -0.01 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 3hma s ILE 97 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 3hma s ILE 97 CO 0.03 0.47 1.07 0.00 0.00 0.00 0.00 174.94 176.52 3hma n GLU 99 N -2.46 0.76 -1.67 0.00 1.02 -1.24 -4.82 120.64 112.22 3hma n GLU 99 Ca 0.09 -2.00 -0.44 0.00 -0.02 0.00 0.00 57.16 54.79 3hma n GLU 99 Cb 0.53 -1.07 -0.02 0.00 -0.02 0.00 0.00 31.44 30.87 3hma n GLU 99 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3hma n ASN 100 N -0.80 2.49 -0.15 1.62 6.94 -1.17 -4.06 115.26 120.14 3hma n ASN 100 Ca 0.10 1.18 0.07 0.00 -0.02 0.00 0.00 54.58 55.91 3hma n ASN 100 Cb 0.69 -1.43 0.39 0.00 -2.36 0.00 0.00 39.78 37.07 3hma n ASN 100 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hma h ALA 101 N 3.05 1.76 0.00 -2.53 0.00 -1.15 -1.02 119.26 119.36 3hma h ALA 101 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hma h ALA 101 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hma h ALA 101 CO 0.67 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 3hma n ASP 102 N -4.48 0.00 -4.62 0.00 3.85 -1.26 -4.83 116.55 105.22 3hma n ASP 102 Ca 0.10 -1.46 -0.28 0.00 -0.71 0.00 0.00 54.79 52.43 3hma n ASP 102 Cb 0.23 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 39.89 3hma n ASP 102 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3hma s GLY 103 N -1.46 2.48 -0.29 6.12 0.00 -0.39 -5.04 107.32 108.75 3hma s GLY 103 Ca 0.18 -2.29 -0.07 0.00 0.00 0.00 0.00 44.72 42.54 3hma s GLY 103 CO 0.14 -2.09 0.09 -0.35 0.00 0.00 0.00 173.10 170.89 3hma s ASP 104 N -3.71 5.17 0.23 1.64 2.15 -1.26 -4.87 116.67 116.02 3hma s ASP 104 Ca 0.35 -0.62 -0.08 0.00 0.43 0.00 0.00 52.55 52.63 3hma s ASP 104 Cb 0.09 -1.90 0.22 0.00 -0.30 0.00 0.00 42.92 41.03 3hma s ASP 104 CO 0.18 -0.17 1.91 0.15 -0.17 0.00 0.00 175.17 177.07 3hma h PHE 105 N 8.25 1.14 -0.97 -5.34 3.57 -1.90 -1.16 116.94 120.53 3hma h PHE 105 Ca -0.32 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.24 3hma h PHE 105 Cb 1.13 -0.39 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 3hma h PHE 105 CO 0.62 0.72 0.64 0.00 -2.23 0.00 0.00 178.31 178.06 3hma h ALA 106 N 1.33 1.37 -0.21 2.41 0.00 -1.97 0.20 119.26 122.39 3hma h ALA 106 Ca 0.33 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 3hma h ALA 106 Cb -0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.31 3hma h ALA 106 CO -0.07 0.53 -0.56 -0.22 0.00 0.00 0.00 179.25 178.93 3hma h LYS 107 N 1.22 0.65 -0.42 0.00 1.63 -1.76 -2.12 116.57 115.76 3hma h LYS 107 Ca 0.39 -0.41 -0.13 0.00 -0.85 0.00 0.00 60.65 59.64 3hma h LYS 107 Cb 0.02 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 3hma h LYS 107 CO -0.12 1.03 -0.27 0.00 -3.45 0.00 0.00 179.45 176.64 3hma h ALA 108 N 0.88 0.72 -0.78 5.00 0.00 -0.52 -2.21 119.26 122.36 3hma h ALA 108 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3hma h ALA 108 Cb 1.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3hma h ALA 108 CO 0.11 0.66 0.29 1.15 0.00 0.00 0.00 179.25 181.47 3hma h THR 109 N 0.77 1.26 -0.64 0.00 2.02 -0.54 -0.58 112.91 115.21 3hma h THR 109 Ca 0.09 -0.85 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 3hma h THR 109 Cb 0.83 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3hma h THR 109 CO 0.07 0.34 0.09 0.00 0.37 0.00 0.00 175.52 176.40 3hma h ALA 110 N 1.15 0.96 -0.35 6.16 0.00 -1.21 -0.61 119.26 125.36 3hma h ALA 110 Ca 0.26 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3hma h ALA 110 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hma h ALA 110 CO -0.02 0.65 -0.24 -0.91 0.00 0.00 0.00 179.25 178.74 3hma h ASN 111 N 0.99 0.70 -0.47 0.00 2.35 -1.06 -2.09 115.58 116.00 3hma h ASN 111 Ca 0.19 -0.25 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 3hma h ASN 111 Cb 0.44 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3hma h ASN 111 CO 0.01 0.92 -0.16 0.00 -1.65 0.00 0.00 177.43 176.55 3hma h ALA 112 N 1.13 0.77 -0.48 -0.83 0.00 -0.67 -1.76 119.26 117.43 3hma h ALA 112 Ca 0.08 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3hma h ALA 112 Cb 0.72 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hma h ALA 112 CO 0.06 0.66 0.06 1.96 0.00 0.00 0.00 179.25 181.99 3hma h GLN 113 N 0.85 0.76 0.14 0.00 4.20 -0.87 0.28 115.11 120.47 3hma h GLN 113 Ca 0.12 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3hma h GLN 113 Cb 0.72 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3hma h GLN 113 CO 0.06 0.74 -0.07 2.35 -0.67 0.00 0.00 178.83 181.24 3hma h TRP 114 N 0.73 -0.17 -0.62 2.96 7.01 -1.13 -0.99 115.95 123.74 3hma h TRP 114 Ca 0.15 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.23 3hma h TRP 114 Cb 0.36 0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.42 3hma h TRP 114 CO 0.02 0.02 0.29 1.25 -2.79 0.00 0.00 178.44 177.23 3hma h LEU 115 N -0.34 0.36 -0.89 0.65 5.85 -0.99 -1.02 115.31 118.94 3hma h LEU 115 Ca -0.02 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3hma h LEU 115 Cb 0.27 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3hma h LEU 115 CO 0.03 0.22 0.30 0.40 -0.34 0.00 0.00 178.44 179.05 3hma h ILE 116 N 0.51 1.25 -0.32 4.05 2.04 -0.77 -0.26 117.51 124.02 3hma h ILE 116 Ca 0.30 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3hma h ILE 116 Cb 0.30 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3hma h ILE 116 CO -0.25 0.32 0.14 0.50 0.00 0.00 0.00 178.15 178.86 3hma h LYS 117 N 1.08 0.48 -0.30 2.37 3.64 -0.33 -0.55 116.57 122.96 3hma h LYS 117 Ca 0.25 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3hma h LYS 117 Cb 0.20 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3hma h LYS 117 CO -0.02 0.47 0.15 1.15 -2.27 0.00 0.00 179.45 178.94 3hma h THR 118 N 0.38 1.15 -0.74 1.00 2.02 -0.89 -2.72 112.91 113.11 3hma h THR 118 Ca 0.11 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.90 3hma h THR 118 Cb 0.17 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3hma h THR 118 CO -0.01 0.15 0.49 -0.07 0.37 0.00 0.00 175.52 176.44 3hma h LEU 119 N 0.36 0.83 -0.36 2.58 4.07 -0.90 -0.07 115.31 121.82 3hma h LEU 119 Ca 0.10 -0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.10 3hma h LEU 119 Cb 0.10 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.59 3hma h LEU 119 CO -0.01 0.59 0.06 0.24 -1.08 0.00 0.00 178.44 178.24 3hma h MET 120 N 0.98 0.17 -0.03 1.13 2.86 -0.84 0.21 114.93 119.40 3hma h MET 120 Ca 0.28 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.72 3hma h MET 120 Cb -0.08 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3hma h MET 120 CO -0.07 0.11 -0.80 0.00 1.06 0.00 0.00 176.91 177.21 3hma h ALA 121 N 1.28 0.58 -0.04 6.32 0.00 -1.26 0.17 119.26 126.31 3hma h ALA 121 Ca 0.17 -0.66 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 3hma h ALA 121 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hma h ALA 121 CO -0.24 0.83 -0.63 0.93 0.00 0.00 0.00 179.25 180.13 3hma h GLU 122 N 0.18 0.17 -0.05 0.00 5.08 -0.63 -3.28 114.58 116.05 3hma h GLU 122 Ca -0.04 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3hma h GLU 122 Cb 1.39 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3hma h GLU 122 CO 0.13 0.75 0.00 0.72 -1.00 0.00 0.00 179.01 179.60 3hma n HIS 123 N -3.83 0.15 -3.86 4.33 8.25 0.03 -5.01 115.22 115.27 3hma n HIS 123 Ca -0.02 -0.91 -0.37 0.00 -0.26 0.00 0.00 57.72 56.16 3hma n HIS 123 Cb 0.63 -0.16 0.03 0.00 1.12 0.00 0.00 29.99 31.61 3hma n HIS 123 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hma n ASN 124 N -1.13 -4.80 -4.35 0.41 5.15 -0.35 -4.94 115.26 105.23 3hma n ASN 124 Ca 0.15 -1.11 -0.33 0.00 -0.60 0.00 0.00 54.58 52.68 3hma n ASN 124 Cb 0.62 -2.39 -0.14 0.00 -0.53 0.00 0.00 39.78 37.33 3hma n ASN 124 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3hma s ILE 125 N -3.41 3.04 0.54 -1.44 1.01 0.46 -5.03 121.20 116.37 3hma s ILE 125 Ca 0.40 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 3hma s ILE 125 Cb -0.19 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 39.93 3hma s ILE 125 CO 0.92 0.52 1.03 -0.94 0.00 0.00 0.00 174.94 176.46 3hma s SER 126 N 0.49 6.18 0.37 3.58 1.04 -1.26 -4.61 113.70 119.50 3hma s SER 126 Ca -0.09 1.79 0.08 0.00 0.48 0.00 0.00 55.95 58.22 3hma s SER 126 Cb -0.16 -2.54 0.81 0.00 0.10 0.00 0.00 66.02 64.24 3hma s SER 126 CO 0.04 -0.89 1.94 0.25 0.98 0.00 0.00 173.24 175.56 3hma h LEU 127 N 0.95 0.61 -2.05 2.42 5.85 -1.97 0.14 115.31 121.25 3hma h LEU 127 Ca -0.48 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 3hma h LEU 127 Cb 1.21 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 3hma h LEU 127 CO 0.59 0.37 -0.09 0.00 -0.34 0.00 0.00 178.44 178.97 3hma h ALA 128 N 1.62 1.43 -0.37 1.25 0.00 -2.01 -1.98 119.26 119.20 3hma h ALA 128 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hma h ALA 128 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hma h ALA 128 CO -0.12 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.33 3hma n ASN 129 N -3.82 2.67 -4.40 0.00 4.13 0.50 -4.66 115.26 109.68 3hma n ASN 129 Ca -0.02 -2.19 -0.44 0.00 1.68 0.00 0.00 54.58 53.61 3hma n ASN 129 Cb 0.19 -0.39 -0.08 0.00 -1.54 0.00 0.00 39.78 37.96 3hma n ASN 129 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hma s VAL 130 N -1.65 5.21 0.32 2.41 1.01 -0.75 -1.76 120.40 125.20 3hma s VAL 130 Ca 0.28 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.34 3hma s VAL 130 Cb 0.17 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 3hma s VAL 130 CO 0.15 -0.59 -0.09 0.68 0.00 0.00 0.00 175.10 175.25 3hma s VAL 131 N 1.72 2.07 0.37 2.92 -7.23 0.49 -4.97 120.40 115.77 3hma s VAL 131 Ca 0.05 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 58.00 3hma s VAL 131 Cb -0.24 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 3hma s VAL 131 CO 0.07 -0.23 0.63 -2.16 -0.31 0.00 0.00 175.10 173.10 3hma s PRO 132 N -3.64 3.57 0.29 4.82 0.04 -1.26 -1.00 135.00 137.81 3hma s PRO 132 Ca 0.32 -0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.36 3hma s PRO 132 Cb 0.03 -2.56 0.69 0.00 0.04 0.00 0.00 34.50 32.70 3hma s PRO 132 CO 0.15 0.06 1.70 1.25 0.04 0.00 0.00 177.00 180.21 3hma h HIS 133 N 0.96 0.65 -0.95 0.56 -0.00 -1.06 -0.54 115.15 114.78 3hma h HIS 133 Ca -0.48 0.04 0.26 0.00 -0.00 0.00 0.00 60.37 60.19 3hma h HIS 133 Cb 1.20 -0.15 -0.13 0.00 -0.00 0.00 0.00 27.41 28.33 3hma h HIS 133 CO 0.56 -0.02 0.47 -0.22 -0.00 0.00 0.00 177.93 178.72 3hma h LYS 134 N 0.42 0.38 -0.98 5.26 3.64 -1.14 -0.39 116.57 123.76 3hma h LYS 134 Ca 0.54 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 60.08 3hma h LYS 134 Cb 1.00 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.64 3hma h LYS 134 CO -0.51 0.25 0.61 -0.92 -2.27 0.00 0.00 179.45 176.62 3hma h TYR 135 N 0.39 0.96 0.19 1.91 3.20 -1.39 1.56 116.97 123.79 3hma h TYR 135 Ca 0.63 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 62.20 3hma h TYR 135 Cb 1.29 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 39.28 3hma h TYR 135 CO -0.09 0.25 -1.57 -1.49 -1.64 0.00 0.00 178.16 173.62 3hma h TRP 136 N 0.72 0.71 0.00 -3.82 4.06 -1.20 -3.41 115.95 113.01 3hma h TRP 136 Ca 0.54 -0.52 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3hma h TRP 136 Cb 0.90 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 3hma h TRP 136 CO -0.00 1.53 0.00 -1.13 -3.56 0.00 0.00 178.44 175.28 3hma n SER 137 N -3.59 0.44 0.00 -3.49 3.41 -1.07 -4.75 113.62 104.57 3hma n SER 137 Ca -0.19 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 3hma n SER 137 Cb 1.07 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 3hma n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hma n GLY 138 N 0.29 0.59 3.80 5.00 0.00 0.53 -5.01 105.19 110.39 3hma n GLY 138 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hma n GLY 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hma s LYS 139 N -0.25 4.01 -1.25 1.61 2.20 -1.26 -4.92 119.74 119.88 3hma s LYS 139 Ca 0.00 1.30 -0.19 0.00 -0.36 0.00 0.00 55.97 56.72 3hma s LYS 139 Cb 0.00 -2.20 0.01 0.00 -1.51 0.00 0.00 37.83 34.13 3hma s LYS 139 CO 0.00 -0.24 1.89 0.39 -0.36 0.00 0.00 175.35 177.03 3hma n GLU 140 N -0.71 2.60 -3.70 4.03 -0.58 -1.26 -3.30 120.64 117.72 3hma n GLU 140 Ca 0.08 -2.83 -0.12 0.00 -0.42 0.00 0.00 57.16 53.87 3hma n GLU 140 Cb 0.53 -3.46 -0.10 0.00 -0.57 0.00 0.00 31.44 27.84 3hma n GLU 140 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hma s PRO 142 N 0.83 3.59 0.49 0.00 0.04 -1.25 -1.18 135.00 137.52 3hma s PRO 142 Ca -0.05 1.31 0.26 0.00 0.04 0.00 0.00 61.00 62.57 3hma s PRO 142 Cb -0.05 -4.07 1.33 0.00 0.04 0.00 0.00 34.50 31.74 3hma s PRO 142 CO -0.06 -1.55 1.86 0.07 0.04 0.00 0.00 177.00 177.35 3hma h ARG 143 N 11.28 0.16 -0.01 4.56 0.11 -1.87 -0.65 114.38 127.96 3hma h ARG 143 Ca -0.31 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.76 3hma h ARG 143 Cb 1.14 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.18 3hma h ARG 143 CO 1.04 0.11 -0.31 1.63 0.10 0.00 0.00 179.97 182.54 3hma n LYS 144 N -4.38 1.13 -0.00 0.08 5.02 -1.26 -4.28 118.16 114.46 3hma n LYS 144 Ca 0.20 -0.80 0.02 0.00 -2.02 0.00 0.00 58.31 55.71 3hma n LYS 144 Cb 0.90 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.40 3hma n LYS 144 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hma n LEU 173 N -0.24 0.11 0.04 -0.35 7.99 -0.41 -4.80 117.00 119.34 3hma n LEU 173 Ca 0.12 -0.27 -0.10 0.00 -0.01 0.00 0.00 56.01 55.74 3hma n LEU 173 Cb 0.41 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.68 3hma n LEU 173 CO 0.26 0.03 0.75 -0.07 -1.51 0.00 0.00 177.39 176.84 3hma h LEU 174 N 0.00 -0.49 -2.69 2.23 3.38 -1.36 0.87 115.31 117.24 3hma h LEU 174 Ca 0.00 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hma h LEU 174 Cb 0.14 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hma h LEU 174 CO 0.00 -0.22 -0.01 0.44 0.09 0.00 0.00 178.44 178.74 3hma h ASP 175 N -0.25 0.00 0.00 -0.43 3.32 -1.87 -2.44 116.42 114.76 3hma h ASP 175 Ca 0.07 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3hma h ASP 175 Cb 0.34 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.79 3hma h ASP 175 CO -0.19 0.01 -0.57 0.35 -1.72 0.00 0.00 179.24 177.12 3hma n THR 176 N -3.20 1.37 -0.09 0.35 -2.24 -0.83 -4.90 114.28 104.75 3hma n THR 176 Ca -0.02 -2.21 -0.08 0.00 -2.27 0.00 0.00 64.05 59.46 3hma n THR 176 Cb 0.11 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 3hma n THR 176 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3hma h TRP 177 N 0.76 -0.84 -0.96 4.78 2.91 0.13 -0.03 115.95 122.69 3hma h TRP 177 Ca -0.06 0.05 0.12 0.00 1.13 0.00 0.00 58.89 60.13 3hma h TRP 177 Cb 1.28 0.42 -0.08 0.00 -0.51 0.00 0.00 29.16 30.27 3hma h TRP 177 CO 0.43 -0.37 0.61 -0.44 -1.03 0.00 0.00 178.44 177.64 3hma h ASP 178 N -0.27 0.86 0.04 2.65 3.45 -1.85 0.92 116.42 122.22 3hma h ASP 178 Ca 0.16 0.04 -0.13 0.00 0.43 0.00 0.00 57.03 57.53 3hma h ASP 178 Cb 0.53 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3hma h ASP 178 CO -0.49 0.47 -0.44 0.28 -1.57 0.00 0.00 179.24 177.49 3hma h SER 179 N 0.93 0.52 -0.37 6.45 0.02 -1.67 -0.82 113.55 118.61 3hma h SER 179 Ca 0.47 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3hma h SER 179 Cb 0.49 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3hma h SER 179 CO -0.23 0.89 0.16 0.15 -1.14 0.00 0.00 176.83 176.66 3hma h PHE 180 N 0.40 0.56 -0.53 3.45 3.57 0.93 -2.26 116.94 123.06 3hma h PHE 180 Ca 0.03 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 3hma h PHE 180 Cb 0.93 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 3hma h PHE 180 CO 0.03 0.50 0.06 0.87 -2.23 0.00 0.00 178.31 177.54 3hma h LYS 181 N 0.46 0.90 -0.05 1.11 1.57 -0.76 -2.29 116.57 117.51 3hma h LYS 181 Ca 0.13 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3hma h LYS 181 Cb 0.17 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3hma h LYS 181 CO -0.01 0.89 0.07 0.00 -0.57 0.00 0.00 179.45 179.83 3hma h ALA 182 N 0.97 1.47 0.00 3.86 0.00 -0.93 -0.65 119.26 124.00 3hma h ALA 182 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hma h ALA 182 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hma h ALA 182 CO 0.02 -0.10 -0.35 0.41 0.00 0.00 0.00 179.25 179.23 3hma n GLY 183 N -1.28 -1.35 0.16 0.00 0.00 -0.87 -4.12 105.19 97.73 3hma n GLY 183 Ca -0.02 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 3hma n GLY 183 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hma h ILE 184 N 0.00 0.76 0.00 -0.61 2.04 -1.06 -3.48 117.51 115.16 3hma h ILE 184 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3hma h ILE 184 Cb 0.53 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3hma h ILE 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76