#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmb s VAL 2 N 0.00 0.46 0.06 1.12 -7.23 -1.26 -5.14 120.40 108.41 3hmb s VAL 2 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3hmb s VAL 2 Cb 0.00 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 3hmb s VAL 2 CO 0.00 0.00 1.07 0.20 -0.31 0.00 0.00 175.10 176.06 3hmb s ASN 3 N -3.29 7.26 -0.37 4.85 -0.87 -1.26 -4.93 114.94 116.33 3hmb s ASN 3 Ca 0.38 1.86 -0.11 0.00 -1.57 0.00 0.00 52.86 53.42 3hmb s ASN 3 Cb 0.08 -2.58 0.02 0.00 -0.02 0.00 0.00 41.25 38.74 3hmb s ASN 3 CO 0.14 -0.31 0.21 -0.63 -2.57 0.00 0.00 177.10 173.94 3hmb s ILE 4 N 0.74 4.70 -0.27 0.60 1.01 -1.26 -2.00 121.20 124.72 3hmb s ILE 4 Ca 0.53 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 3hmb s ILE 4 Cb -0.25 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3hmb s ILE 4 CO 0.30 -0.18 0.27 -0.63 0.00 0.00 0.00 174.94 174.69 3hmb s ILE 5 N 1.59 5.26 -0.01 2.92 1.01 0.98 -4.91 121.20 128.04 3hmb s ILE 5 Ca 0.03 0.35 -0.25 0.00 0.00 0.00 0.00 60.65 60.78 3hmb s ILE 5 Cb -0.19 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3hmb s ILE 5 CO 0.07 0.23 0.77 -1.10 0.00 0.00 0.00 174.94 174.91 3hmb s GLN 6 N 1.77 4.48 -0.49 2.79 -0.21 -1.26 -0.41 119.66 126.33 3hmb s GLN 6 Ca 0.11 1.04 0.06 0.00 0.02 0.00 0.00 55.36 56.59 3hmb s GLN 6 Cb -0.16 -3.41 0.22 0.00 1.00 0.00 0.00 33.01 30.66 3hmb s GLN 6 CO 0.10 0.15 0.77 1.17 -2.12 0.00 0.00 175.29 175.35 3hmb n LYS 7 N 3.36 0.64 -1.70 2.91 4.81 -0.41 -4.92 118.16 122.85 3hmb n LYS 7 Ca -0.01 -2.05 -0.36 0.00 -0.87 0.00 0.00 58.31 55.02 3hmb n LYS 7 Cb 0.51 -1.46 0.07 0.00 0.02 0.00 0.00 35.03 34.16 3hmb n LYS 7 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3hmb s PHE 8 N 0.59 2.14 0.27 5.64 2.99 -1.25 -4.37 117.98 123.99 3hmb s PHE 8 Ca 0.31 1.53 -0.30 0.00 0.00 0.00 0.00 56.93 58.48 3hmb s PHE 8 Cb 0.12 -3.56 -0.09 0.00 0.00 0.00 0.00 43.02 39.49 3hmb s PHE 8 CO -0.16 -2.64 1.07 0.42 -0.00 0.00 0.00 175.22 173.92 3hmb s ILE 9 N -1.66 3.60 0.27 0.64 1.01 0.51 -4.96 121.20 120.62 3hmb s ILE 9 Ca 0.78 1.60 -0.30 0.00 0.00 0.00 0.00 60.65 62.74 3hmb s ILE 9 Cb -0.33 -4.02 -0.13 0.00 0.01 0.00 0.00 42.46 37.99 3hmb s ILE 9 CO 0.40 0.38 1.31 -2.65 0.00 0.00 0.00 174.94 174.38 3hmb n PRO 10 N 1.28 1.92 -1.98 2.79 -0.02 -1.26 -4.92 135.00 132.82 3hmb n PRO 10 Ca -0.01 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 3hmb n PRO 10 Cb 0.45 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 3hmb n PRO 10 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hmb s VAL 11 N -0.51 2.53 0.00 -1.45 1.01 -1.26 -2.22 120.40 118.49 3hmb s VAL 11 Ca 0.63 0.46 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3hmb s VAL 11 Cb -0.64 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3hmb s VAL 11 CO 0.55 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.34 3hmb n GLY 12 N 1.79 2.12 3.74 4.51 0.00 -1.26 -5.05 105.19 111.04 3hmb n GLY 12 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3hmb n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmb s ALA 13 N -2.46 2.35 0.22 4.61 0.00 -0.94 -4.93 121.76 120.60 3hmb s ALA 13 Ca 0.00 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 52.77 3hmb s ALA 13 Cb 0.00 -3.45 0.18 0.00 0.00 0.00 0.00 23.12 19.86 3hmb s ALA 13 CO 0.00 -1.50 1.88 -0.91 0.00 0.00 0.00 175.76 175.24 3hmb h ASN 14 N 0.26 0.89 0.00 0.00 4.21 -1.87 -1.94 115.58 117.14 3hmb h ASN 14 Ca -0.49 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.00 3hmb h ASN 14 Cb 1.29 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 3hmb h ASN 14 CO 0.53 0.64 0.00 -0.46 -1.29 0.00 0.00 177.43 176.84 3hmb n ASN 15 N -4.55 0.29 -3.45 5.81 6.94 -1.26 -4.06 115.26 114.97 3hmb n ASN 15 Ca 0.08 -1.99 -0.27 0.00 -0.02 0.00 0.00 54.58 52.39 3hmb n ASN 15 Cb 0.03 -0.14 -0.09 0.00 -2.36 0.00 0.00 39.78 37.22 3hmb n ASN 15 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3hmb n ARG 16 N -0.35 1.97 -0.23 -3.83 0.63 -0.73 -4.54 116.66 109.57 3hmb n ARG 16 Ca 0.00 -4.30 -0.06 0.00 -0.92 0.00 0.00 57.85 52.57 3hmb n ARG 16 Cb 0.07 -2.04 -0.06 0.00 0.45 0.00 0.00 32.46 30.89 3hmb n ARG 16 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3hmb n PRO 17 N 1.23 -0.25 0.00 -0.14 -0.02 -1.26 -4.58 135.00 129.99 3hmb n PRO 17 Ca 0.27 1.10 0.00 0.00 -2.02 0.00 0.00 63.50 62.85 3hmb n PRO 17 Cb 0.43 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3hmb n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hmb n GLY 18 N -1.14 0.60 3.70 -1.23 0.00 -1.26 -5.01 105.19 100.85 3hmb n GLY 18 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3hmb n GLY 18 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hmb n TYR 19 N -1.30 2.60 -1.91 1.61 4.01 -1.26 -4.84 117.16 116.07 3hmb n TYR 19 Ca 0.00 0.11 -0.40 0.00 -0.16 0.00 0.00 57.90 57.46 3hmb n TYR 19 Cb 0.00 -2.63 0.01 0.00 -0.31 0.00 0.00 39.34 36.40 3hmb n TYR 19 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hmb s ALA 20 N 1.07 3.25 0.06 -0.72 0.00 -1.26 -1.98 121.76 122.18 3hmb s ALA 20 Ca 0.76 1.36 0.02 0.00 0.00 0.00 0.00 51.96 54.10 3hmb s ALA 20 Cb -0.56 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 3hmb s ALA 20 CO 0.34 -1.02 -0.07 1.41 0.00 0.00 0.00 175.76 176.42 3hmb s MET 21 N -2.35 0.60 -0.47 0.00 1.75 0.16 -4.75 119.30 114.23 3hmb s MET 21 Ca 0.59 -0.91 0.04 0.00 -1.25 0.00 0.00 55.69 54.15 3hmb s MET 21 Cb -0.41 -0.23 0.16 0.00 2.84 0.00 0.00 34.83 37.19 3hmb s MET 21 CO 0.53 0.02 0.35 0.21 -0.65 0.00 0.00 175.02 175.48 3hmb s LYS 22 N -2.23 1.27 -0.13 4.11 2.47 -1.26 -4.56 119.74 119.40 3hmb s LYS 22 Ca -0.04 -2.30 -0.39 0.00 -1.56 0.00 0.00 55.97 51.68 3hmb s LYS 22 Cb -0.05 -1.97 -0.16 0.00 -1.46 0.00 0.00 37.83 34.19 3hmb s LYS 22 CO -0.01 -1.32 1.56 -0.35 0.16 0.00 0.00 175.35 175.39 3hmb n PRO 23 N 2.85 1.08 0.00 4.03 -0.04 -1.26 -4.82 135.00 136.83 3hmb n PRO 23 Ca 0.23 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 3hmb n PRO 23 Cb 0.42 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 3hmb n PRO 23 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3hmb n LYS 24 N 4.10 6.54 -4.24 0.54 0.00 -0.85 -4.95 118.16 119.31 3hmb n LYS 24 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.41 3hmb n LYS 24 Cb 0.15 -0.50 -0.10 0.00 0.00 0.00 0.00 35.03 34.57 3hmb n LYS 24 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3hmb s TYR 25 N -1.00 1.23 -0.19 5.64 2.02 -1.00 -4.81 117.35 119.24 3hmb s TYR 25 Ca 0.00 -1.08 -0.03 0.00 -0.37 0.00 0.00 57.07 55.59 3hmb s TYR 25 Cb 0.00 -0.70 0.06 0.00 -0.40 0.00 0.00 41.96 40.92 3hmb s TYR 25 CO 0.00 -0.28 0.03 0.42 -1.57 0.00 0.00 175.55 174.15 3hmb s ILE 26 N -3.73 0.53 -0.06 2.71 1.01 -0.77 -2.03 121.20 118.85 3hmb s ILE 26 Ca 0.27 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 3hmb s ILE 26 Cb 0.07 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 3hmb s ILE 26 CO 0.06 -0.17 0.54 -0.89 0.00 0.00 0.00 174.94 174.47 3hmb s THR 27 N 1.86 5.06 -0.07 2.92 2.01 -0.80 -2.23 115.64 124.39 3hmb s THR 27 Ca -0.01 1.10 -0.03 0.00 0.31 0.00 0.00 61.69 63.06 3hmb s THR 27 Cb -0.17 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3hmb s THR 27 CO -0.08 0.37 0.07 -0.69 -0.69 0.00 0.00 174.62 173.61 3hmb s VAL 28 N 0.22 4.85 0.28 3.82 1.01 -0.94 -1.09 120.40 128.55 3hmb s VAL 28 Ca 0.29 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3hmb s VAL 28 Cb -0.17 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 3hmb s VAL 28 CO 0.14 0.53 0.12 -1.00 0.00 0.00 0.00 175.10 174.89 3hmb s HIS 29 N -1.03 1.57 -0.08 5.22 3.76 0.11 -2.33 115.29 122.52 3hmb s HIS 29 Ca 0.17 -1.24 -0.03 0.00 -0.15 0.00 0.00 55.06 53.82 3hmb s HIS 29 Cb -0.12 -0.90 0.04 0.00 1.11 0.00 0.00 32.58 32.71 3hmb s HIS 29 CO 0.06 -0.38 0.06 -0.80 -0.85 0.00 0.00 174.74 172.83 3hmb s ASN 30 N -3.35 1.56 0.43 1.40 -0.87 -1.26 -2.14 114.94 110.71 3hmb s ASN 30 Ca 0.37 -0.14 0.23 0.00 -1.57 0.00 0.00 52.86 51.75 3hmb s ASN 30 Cb 0.07 -0.23 1.23 0.00 -0.02 0.00 0.00 41.25 42.29 3hmb s ASN 30 CO 0.15 -0.27 1.76 0.71 -2.57 0.00 0.00 177.10 176.88 3hmb h THR 31 N 6.42 0.46 -1.82 1.60 1.35 -1.75 -3.45 112.91 115.72 3hmb h THR 31 Ca -0.14 -0.10 -0.36 0.00 -0.55 0.00 0.00 66.41 65.26 3hmb h THR 31 Cb 1.13 0.15 -0.07 0.00 -1.73 0.00 0.00 68.15 67.62 3hmb h THR 31 CO 0.21 0.05 -0.40 0.00 -0.25 0.00 0.00 175.52 175.12 3hmb n ALA 32 N -2.53 -0.42 -4.03 6.62 0.00 -1.26 -4.96 120.51 113.93 3hmb n ALA 32 Ca 0.27 0.21 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 3hmb n ALA 32 Cb 1.01 -1.91 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 3hmb n ALA 32 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hmb s ASN 33 N -2.46 4.71 0.00 0.00 3.84 -1.26 -4.98 114.94 114.80 3hmb s ASN 33 Ca 0.00 -2.01 0.31 0.00 0.21 0.00 0.00 52.86 51.37 3hmb s ASN 33 Cb 0.00 -1.62 1.67 0.00 -0.55 0.00 0.00 41.25 40.76 3hmb s ASN 33 CO 0.00 -0.34 2.10 0.35 -2.79 0.00 0.00 177.10 176.42 3hmb n THR 34 N 4.29 0.00 -1.77 -5.21 -2.24 -1.26 -3.45 114.28 104.64 3hmb n THR 34 Ca 0.00 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 3hmb n THR 34 Cb 0.42 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.39 3hmb n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hmb s ALA 35 N -2.07 3.29 0.48 6.98 0.00 -1.26 -0.35 121.76 128.82 3hmb s ALA 35 Ca 0.43 1.51 -0.21 0.00 0.00 0.00 0.00 51.96 53.69 3hmb s ALA 35 Cb 0.22 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 3hmb s ALA 35 CO 0.38 -1.21 1.08 0.14 0.00 0.00 0.00 175.76 176.14 3hmb s VAL 36 N -1.18 3.54 0.00 0.00 -7.23 -1.26 -2.74 120.40 111.53 3hmb s VAL 36 Ca 0.60 1.02 0.00 0.00 -1.81 0.00 0.00 61.98 61.79 3hmb s VAL 36 Cb -0.45 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.04 3hmb s VAL 36 CO 0.58 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.84 3hmb n GLY 37 N 0.05 1.74 2.62 2.32 0.00 -1.26 -4.91 105.19 105.75 3hmb n GLY 37 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3hmb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmb n ALA 38 N 0.54 6.29 -2.66 4.61 0.00 -1.11 -4.55 120.51 123.64 3hmb n ALA 38 Ca 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 53.44 49.29 3hmb n ALA 38 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 16.58 3hmb n ALA 38 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hmb n ASP 39 N 2.61 0.04 0.16 0.00 3.85 -1.26 -4.26 116.55 117.70 3hmb n ASP 39 Ca 0.54 -0.64 -0.14 0.00 -0.71 0.00 0.00 54.79 53.85 3hmb n ASP 39 Cb 0.29 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 39.98 3hmb n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hmb h ALA 40 N -0.02 -0.33 -0.63 2.12 0.00 -1.87 -0.57 119.26 117.95 3hmb h ALA 40 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3hmb h ALA 40 Cb 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3hmb h ALA 40 CO 0.00 -0.68 0.20 0.00 0.00 0.00 0.00 179.25 178.77 3hmb h ALA 41 N 0.40 0.81 -0.70 0.00 0.00 -1.93 0.10 119.26 117.94 3hmb h ALA 41 Ca -0.03 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hmb h ALA 41 Cb 0.27 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hmb h ALA 41 CO 0.06 -0.25 0.29 0.00 0.00 0.00 0.00 179.25 179.35 3hmb h ALA 42 N 1.47 1.19 0.00 0.00 0.00 -1.71 -2.19 119.26 118.03 3hmb h ALA 42 Ca 0.33 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3hmb h ALA 42 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hmb h ALA 42 CO -0.37 0.59 -0.36 0.45 0.00 0.00 0.00 179.25 179.56 3hmb h HIS 43 N 1.01 0.00 -0.43 0.00 3.86 0.69 -1.66 115.15 118.62 3hmb h HIS 43 Ca 0.24 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 3hmb h HIS 43 Cb 0.18 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 3hmb h HIS 43 CO 0.01 0.36 0.16 0.00 0.86 0.00 0.00 177.93 179.33 3hmb h ALA 44 N 1.64 0.55 -0.16 2.45 0.00 -0.28 -0.48 119.26 122.99 3hmb h ALA 44 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hmb h ALA 44 Cb 0.95 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3hmb h ALA 44 CO 0.05 0.17 0.03 0.00 0.00 0.00 0.00 179.25 179.50 3hmb h ARG 45 N 0.54 0.26 -0.42 0.00 3.08 -1.29 -3.07 114.38 113.48 3hmb h ARG 45 Ca 0.14 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.21 3hmb h ARG 45 Cb 0.21 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.14 3hmb h ARG 45 CO -0.01 0.42 -0.13 -0.92 -1.07 0.00 0.00 179.97 178.26 3hmb h TYR 46 N 0.05 -0.29 0.00 3.04 3.20 -1.06 -1.16 116.97 120.75 3hmb h TYR 46 Ca 0.05 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3hmb h TYR 46 Cb 0.28 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3hmb h TYR 46 CO 0.01 -0.21 0.00 -0.07 -1.64 0.00 0.00 178.16 176.26 3hmb h LEU 47 N -0.03 0.00 -0.16 2.82 3.38 -1.02 -1.85 115.31 118.45 3hmb h LEU 47 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hmb h LEU 47 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hmb h LEU 47 CO -0.45 0.00 -0.46 0.29 0.09 0.00 0.00 178.44 177.92 3hmb n LYS 48 N -2.32 0.27 -2.21 1.13 5.02 -0.45 -4.86 118.16 114.74 3hmb n LYS 48 Ca 0.01 -0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 55.71 3hmb n LYS 48 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 3hmb n LYS 48 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3hmb s ASN 49 N -2.84 6.83 0.61 4.39 3.84 -0.69 -4.87 114.94 122.20 3hmb s ASN 49 Ca 0.15 2.09 0.28 0.00 0.21 0.00 0.00 52.86 55.58 3hmb s ASN 49 Cb 0.18 -2.55 1.37 0.00 -0.55 0.00 0.00 41.25 39.69 3hmb s ASN 49 CO 0.65 -0.76 1.78 -0.65 -2.79 0.00 0.00 177.10 175.34 3hmb h PRO 50 N 8.13 0.00 0.00 0.43 0.11 -1.89 -0.48 132.00 138.30 3hmb h PRO 50 Ca -0.37 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.54 3hmb h PRO 50 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3hmb h PRO 50 CO 0.92 0.00 -0.89 -0.44 -0.21 0.00 0.00 178.00 177.38 3hmb h ASP 51 N 0.00 0.32 -3.13 -2.05 3.45 -1.92 -3.45 116.42 109.64 3hmb h ASP 51 Ca 0.21 -0.26 -0.56 0.00 0.43 0.00 0.00 57.03 56.85 3hmb h ASP 51 Cb 1.38 -0.10 0.09 0.00 -0.56 0.00 0.00 39.33 40.14 3hmb h ASP 51 CO -0.00 1.06 0.71 0.41 -1.57 0.00 0.00 179.24 179.85 3hmb n THR 52 N -3.68 1.26 -0.03 0.35 -1.04 -0.19 -4.92 114.28 106.03 3hmb n THR 52 Ca -0.04 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 3hmb n THR 52 Cb 0.81 -1.73 -0.08 0.00 -1.82 0.00 0.00 70.33 67.51 3hmb n THR 52 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3hmb n THR 53 N 1.59 0.33 -3.17 12.58 -2.24 -1.26 -4.11 114.28 118.00 3hmb n THR 53 Ca 0.08 -0.33 -0.22 0.00 -2.27 0.00 0.00 64.05 61.31 3hmb n THR 53 Cb 0.35 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3hmb n THR 53 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hmb s THR 54 N -2.49 4.14 -0.11 4.28 -4.23 -1.26 -4.44 115.64 111.52 3hmb s THR 54 Ca -0.04 -0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 59.53 3hmb s THR 54 Cb 0.05 -3.50 0.11 0.00 1.34 0.00 0.00 72.50 70.49 3hmb s THR 54 CO 0.42 -0.31 0.89 -0.94 -0.54 0.00 0.00 174.62 174.15 3hmb s SER 55 N -4.18 -0.46 0.26 3.99 1.04 0.72 -4.85 113.70 110.22 3hmb s SER 55 Ca 0.46 0.47 0.01 0.00 0.48 0.00 0.00 55.95 57.37 3hmb s SER 55 Cb -0.10 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.40 3hmb s SER 55 CO 0.36 -0.45 0.31 -2.67 0.98 0.00 0.00 173.24 171.77 3hmb n TRP 56 N 0.71 -0.98 -0.07 5.02 2.14 -1.26 -2.42 117.44 120.58 3hmb n TRP 56 Ca -0.13 -1.91 -0.22 0.00 2.07 0.00 0.00 57.50 57.31 3hmb n TRP 56 Cb 0.58 0.34 -0.12 0.00 -0.81 0.00 0.00 31.31 31.30 3hmb n TRP 56 CO 0.00 0.00 0.00 0.72 2.07 0.00 0.00 177.69 180.48 3hmb n HIS 57 N -0.45 0.85 -4.35 -2.67 8.25 -0.55 -4.08 115.22 112.22 3hmb n HIS 57 Ca 0.03 0.26 -0.22 0.00 -0.26 0.00 0.00 57.72 57.52 3hmb n HIS 57 Cb 0.45 -1.10 -0.13 0.00 1.12 0.00 0.00 29.99 30.33 3hmb n HIS 57 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hmb s PHE 58 N -2.48 1.54 -0.08 4.41 0.08 -0.80 -0.77 117.98 119.87 3hmb s PHE 58 Ca -0.28 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.36 3hmb s PHE 58 Cb 0.08 -0.88 0.02 0.00 -0.57 0.00 0.00 43.02 41.68 3hmb s PHE 58 CO 0.65 0.11 -0.04 0.99 -0.10 0.00 0.00 175.22 176.83 3hmb s THR 59 N -1.05 0.66 -0.04 0.64 2.01 -0.65 -0.98 115.64 116.23 3hmb s THR 59 Ca 0.04 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 61.99 3hmb s THR 59 Cb -0.09 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 3hmb s THR 59 CO 0.03 0.29 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.39 3hmb s VAL 60 N 1.61 2.83 0.32 3.82 1.01 0.11 -1.33 120.40 128.76 3hmb s VAL 60 Ca 0.01 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.22 3hmb s VAL 60 Cb -0.13 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3hmb s VAL 60 CO -0.05 0.59 0.20 1.51 0.00 0.00 0.00 175.10 177.35 3hmb s ASP 61 N -0.70 1.61 0.60 3.32 1.47 -0.74 -0.43 116.67 121.79 3hmb s ASP 61 Ca 0.11 -1.64 0.29 0.00 1.18 0.00 0.00 52.55 52.49 3hmb s ASP 61 Cb -0.10 0.47 1.57 0.00 -0.34 0.00 0.00 42.92 44.52 3hmb s ASP 61 CO 0.00 -0.96 1.98 -2.24 0.68 0.00 0.00 175.17 174.63 3hmb h ASP 62 N 2.17 0.00 0.00 2.11 2.03 -1.86 -3.16 116.42 117.71 3hmb h ASP 62 Ca -0.31 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.65 3hmb h ASP 62 Cb 1.25 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.68 3hmb h ASP 62 CO 0.46 0.00 -2.29 1.17 -1.03 0.00 0.00 179.24 177.56 3hmb n LYS 63 N -3.68 0.72 -3.02 4.15 4.81 -1.26 -4.70 118.16 115.17 3hmb n LYS 63 Ca 0.05 0.09 -0.04 0.00 -0.87 0.00 0.00 58.31 57.54 3hmb n LYS 63 Cb 0.50 -1.46 0.02 0.00 0.02 0.00 0.00 35.03 34.11 3hmb n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3hmb n GLU 64 N -3.03 0.63 -4.64 1.64 0.28 -1.20 -4.75 120.64 109.58 3hmb n GLU 64 Ca -0.37 -1.31 -0.25 0.00 -0.16 0.00 0.00 57.16 55.06 3hmb n GLU 64 Cb 0.98 1.69 -0.14 0.00 1.43 0.00 0.00 31.44 35.39 3hmb n GLU 64 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3hmb s ILE 65 N -2.30 1.65 -0.03 3.84 1.01 -0.85 -1.79 121.20 122.73 3hmb s ILE 65 Ca 0.13 -1.19 0.06 0.00 0.00 0.00 0.00 60.65 59.66 3hmb s ILE 65 Cb -0.03 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 3hmb s ILE 65 CO 0.06 0.20 -0.21 -0.31 0.00 0.00 0.00 174.94 174.68 3hmb s TYR 66 N -0.80 1.99 -0.20 3.97 1.51 -0.44 -0.01 117.35 123.36 3hmb s TYR 66 Ca 0.07 -0.47 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 3hmb s TYR 66 Cb -0.09 -1.30 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 3hmb s TYR 66 CO 0.02 -0.10 -0.00 -1.14 -1.11 0.00 0.00 175.55 173.21 3hmb s GLN 67 N -0.31 3.59 -0.04 -0.62 0.74 0.45 -1.63 119.66 121.84 3hmb s GLN 67 Ca 0.03 -0.53 0.18 0.00 0.05 0.00 0.00 55.36 55.09 3hmb s GLN 67 Cb -0.10 -3.08 -0.28 0.00 1.10 0.00 0.00 33.01 30.65 3hmb s GLN 67 CO 0.01 -0.02 0.38 0.72 -0.55 0.00 0.00 175.29 175.83 3hmb n HIS 68 N 4.32 0.00 -4.04 1.67 8.25 0.05 -1.29 115.22 124.18 3hmb n HIS 68 Ca -0.17 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.17 3hmb n HIS 68 Cb 0.52 -0.46 -0.12 0.00 1.12 0.00 0.00 29.99 31.05 3hmb n HIS 68 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hmb s LEU 69 N -4.36 2.20 0.41 2.41 1.02 -1.25 -0.36 118.68 118.74 3hmb s LEU 69 Ca -0.07 -0.44 -0.25 0.00 0.02 0.00 0.00 54.13 53.39 3hmb s LEU 69 Cb 0.11 -0.10 -0.08 0.00 0.02 0.00 0.00 46.19 46.14 3hmb s LEU 69 CO 0.76 -0.18 1.14 -2.16 0.02 0.00 0.00 176.35 175.94 3hmb s PRO 70 N -1.26 4.04 0.00 1.29 0.04 -1.26 -4.84 135.00 133.02 3hmb s PRO 70 Ca -0.09 1.77 0.08 0.00 0.04 0.00 0.00 61.00 62.79 3hmb s PRO 70 Cb -0.08 -2.62 0.46 0.00 0.04 0.00 0.00 34.50 32.29 3hmb s PRO 70 CO -0.00 -0.31 0.93 1.28 0.04 0.00 0.00 177.00 178.94 3hmb n LEU 71 N -0.01 0.00 -0.72 -3.56 4.77 -1.26 -2.16 117.00 114.06 3hmb n LEU 71 Ca 0.05 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.10 3hmb n LEU 71 Cb 0.47 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.70 3hmb n LEU 71 CO 0.49 0.00 0.58 -0.46 -1.33 0.00 0.00 177.39 176.67 3hmb n ASN 72 N -0.73 2.75 -4.39 -1.43 6.94 -1.26 -4.61 115.26 112.53 3hmb n ASN 72 Ca 0.06 -1.82 -0.22 0.00 -0.02 0.00 0.00 54.58 52.57 3hmb n ASN 72 Cb 0.03 -0.16 -0.11 0.00 -2.36 0.00 0.00 39.78 37.18 3hmb n ASN 72 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3hmb s GLU 73 N -1.10 1.44 0.59 -3.83 2.02 -0.92 0.39 118.70 117.29 3hmb s GLU 73 Ca 0.24 -1.57 0.03 0.00 0.02 0.00 0.00 54.97 53.69 3hmb s GLU 73 Cb 0.14 -1.49 0.07 0.00 0.10 0.00 0.00 34.13 32.95 3hmb s GLU 73 CO 0.20 0.29 0.81 0.54 0.02 0.00 0.00 175.26 177.12 3hmb s ASN 74 N -3.05 5.03 0.05 -0.19 4.22 -0.84 -4.73 114.94 115.43 3hmb s ASN 74 Ca 0.22 -0.31 -0.05 0.00 -2.14 0.00 0.00 52.86 50.59 3hmb s ASN 74 Cb -0.05 -0.40 -0.02 0.00 1.28 0.00 0.00 41.25 42.06 3hmb s ASN 74 CO 0.10 -1.33 0.08 -0.83 -2.04 0.00 0.00 177.10 173.07 3hmb s GLY 75 N -4.54 0.25 -0.44 0.45 0.00 -1.22 -4.57 107.32 97.24 3hmb s GLY 75 Ca 0.60 -0.79 -0.19 0.00 0.00 0.00 0.00 44.72 44.35 3hmb s GLY 75 CO 0.39 -0.93 0.54 -0.98 0.00 0.00 0.00 173.10 172.13 3hmb s TRP 76 N -3.34 3.11 0.00 1.90 0.23 -1.02 -4.65 118.94 115.18 3hmb s TRP 76 Ca 0.01 -0.28 0.00 0.00 -2.03 0.00 0.00 56.10 53.80 3hmb s TRP 76 Cb 0.03 -3.16 0.00 0.00 0.03 0.00 0.00 33.47 30.37 3hmb s TRP 76 CO -0.08 -0.82 0.00 -2.39 0.96 0.00 0.00 176.95 174.62 3hmb n HIS 77 N 5.93 0.00 0.31 -1.98 1.44 -1.24 -0.20 115.22 119.47 3hmb n HIS 77 Ca -0.05 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.78 3hmb n HIS 77 Cb 0.47 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.69 3hmb n HIS 77 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hmb h ALA 78 N 0.00 0.64 -4.17 1.59 0.00 -1.84 -3.48 119.26 112.00 3hmb h ALA 78 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 3hmb h ALA 78 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 17.79 17.83 3hmb h ALA 78 CO 0.00 0.00 -0.59 0.41 0.00 0.00 0.00 179.25 179.07 3hmb n GLY 79 N 1.22 -0.52 1.57 0.00 0.00 -1.26 -4.02 105.19 102.19 3hmb n GLY 79 Ca 0.02 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 3hmb n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hmb n ASP 80 N -2.41 3.94 0.00 1.61 5.75 -1.26 -4.71 116.55 119.46 3hmb n ASP 80 Ca -0.14 -3.80 0.00 0.00 -0.01 0.00 0.00 54.79 50.84 3hmb n ASP 80 Cb 0.64 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3hmb n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hmb n GLY 81 N -0.85 2.96 1.87 6.12 0.00 -1.26 -1.73 105.19 112.29 3hmb n GLY 81 Ca 0.36 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 3hmb n GLY 81 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hmb n ASN 82 N 1.40 4.10 -3.20 1.61 5.03 -1.26 -4.48 115.26 118.46 3hmb n ASN 82 Ca 0.00 -3.13 -0.19 0.00 0.87 0.00 0.00 54.58 52.13 3hmb n ASN 82 Cb 0.00 -0.78 0.13 0.00 -1.02 0.00 0.00 39.78 38.11 3hmb n ASN 82 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hmb n GLY 83 N -0.53 -1.47 0.28 7.41 0.00 -0.71 -4.69 105.19 105.48 3hmb n GLY 83 Ca 0.41 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.81 3hmb n GLY 83 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hmb h SER 84 N -1.19 0.19 -0.00 1.61 0.02 -1.92 -1.38 113.55 110.89 3hmb h SER 84 Ca -0.27 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.70 3hmb h SER 84 Cb 0.75 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 3hmb h SER 84 CO 0.19 0.16 -0.28 1.23 -1.14 0.00 0.00 176.83 176.99 3hmb h GLY 85 N 0.28 -0.44 1.08 -3.77 0.00 -1.88 0.62 103.07 98.96 3hmb h GLY 85 Ca 0.06 0.33 -0.30 0.00 0.00 0.00 0.00 47.33 47.43 3hmb h GLY 85 CO -0.01 -0.22 -1.64 3.43 0.00 0.00 0.00 176.54 178.10 3hmb h ASN 86 N -0.42 0.14 -0.33 0.19 2.35 -1.76 -3.35 115.58 112.40 3hmb h ASN 86 Ca 0.06 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3hmb h ASN 86 Cb 0.51 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3hmb h ASN 86 CO -0.24 1.23 0.00 0.54 -1.65 0.00 0.00 177.43 177.31 3hmb n ARG 87 N -3.23 2.33 -2.72 0.81 5.12 -0.53 -3.42 116.66 115.02 3hmb n ARG 87 Ca -0.17 -2.00 -0.02 0.00 -1.93 0.00 0.00 57.85 53.73 3hmb n ARG 87 Cb 1.04 -1.48 0.10 0.00 -1.16 0.00 0.00 32.46 30.96 3hmb n ARG 87 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hmb n ALA 88 N 1.22 2.76 -3.52 7.54 0.00 0.21 -4.58 120.51 124.13 3hmb n ALA 88 Ca 0.18 -1.59 -0.09 0.00 0.00 0.00 0.00 53.44 51.95 3hmb n ALA 88 Cb 0.54 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 3hmb n ALA 88 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hmb s SER 89 N -1.99 -0.29 -0.31 0.00 1.04 -1.22 -2.02 113.70 108.92 3hmb s SER 89 Ca 0.15 -0.51 -0.08 0.00 0.48 0.00 0.00 55.95 55.99 3hmb s SER 89 Cb 0.41 0.64 0.00 0.00 0.10 0.00 0.00 66.02 67.17 3hmb s SER 89 CO -0.10 -1.17 0.12 -0.63 0.98 0.00 0.00 173.24 172.45 3hmb s ILE 90 N -3.89 4.28 -0.12 -1.02 1.01 -0.86 -4.79 121.20 115.81 3hmb s ILE 90 Ca 0.10 -0.58 -0.27 0.00 0.00 0.00 0.00 60.65 59.90 3hmb s ILE 90 Cb -0.03 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 3hmb s ILE 90 CO 0.01 0.05 0.90 -0.83 0.00 0.00 0.00 174.94 175.07 3hmb s GLY 91 N 1.55 2.31 -0.06 6.18 0.00 -1.26 -1.90 107.32 114.15 3hmb s GLY 91 Ca 0.03 0.21 0.05 0.00 0.00 0.00 0.00 44.72 45.02 3hmb s GLY 91 CO 0.04 1.72 -0.20 -0.42 0.00 0.00 0.00 173.10 174.24 3hmb s ILE 92 N 1.88 2.48 -0.05 0.90 -1.09 -0.25 -1.48 121.20 123.59 3hmb s ILE 92 Ca 0.43 -0.92 0.06 0.00 -2.23 0.00 0.00 60.65 57.99 3hmb s ILE 92 Cb -0.18 -1.94 -0.01 0.00 -1.58 0.00 0.00 42.46 38.76 3hmb s ILE 92 CO 0.16 0.57 -0.24 -1.61 -1.23 0.00 0.00 174.94 172.59 3hmb s GLU 93 N -0.36 2.40 -0.19 2.79 0.41 -0.15 0.10 118.70 123.70 3hmb s GLU 93 Ca 0.03 -0.86 -0.06 0.00 -0.41 0.00 0.00 54.97 53.67 3hmb s GLU 93 Cb -0.12 -2.06 -0.03 0.00 -1.78 0.00 0.00 34.13 30.14 3hmb s GLU 93 CO 0.02 0.38 0.01 0.42 -0.49 0.00 0.00 175.26 175.60 3hmb s ILE 94 N -0.17 4.15 0.59 -1.63 -1.09 -0.91 0.05 121.20 122.19 3hmb s ILE 94 Ca -0.03 -0.25 -0.17 0.00 -2.23 0.00 0.00 60.65 57.98 3hmb s ILE 94 Cb -0.13 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 3hmb s ILE 94 CO 0.03 0.43 1.08 0.00 -1.23 0.00 0.00 174.94 175.26 3hmb n GLU 96 N -1.92 0.68 -1.68 0.00 1.02 -1.26 -4.86 120.64 112.62 3hmb n GLU 96 Ca 0.10 -2.32 -0.45 0.00 -0.02 0.00 0.00 57.16 54.47 3hmb n GLU 96 Cb 0.52 -0.81 -0.04 0.00 -0.02 0.00 0.00 31.44 31.10 3hmb n GLU 96 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3hmb n ASN 97 N -0.37 3.71 0.14 1.62 6.94 -1.22 -4.02 115.26 122.06 3hmb n ASN 97 Ca 0.10 1.00 0.18 0.00 -0.02 0.00 0.00 54.58 55.85 3hmb n ASN 97 Cb 0.86 -1.48 0.68 0.00 -2.36 0.00 0.00 39.78 37.47 3hmb n ASN 97 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hmb h ALA 98 N 8.30 1.98 -0.02 -2.53 0.00 -0.79 0.33 119.26 126.54 3hmb h ALA 98 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hmb h ALA 98 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hmb h ALA 98 CO 0.93 -0.72 -0.03 -0.40 0.00 0.00 0.00 179.25 179.03 3hmb n ASP 99 N -3.32 1.62 -4.70 0.00 3.85 -1.26 -4.93 116.55 107.81 3hmb n ASP 99 Ca 0.06 -1.50 -0.23 0.00 -0.71 0.00 0.00 54.79 52.42 3hmb n ASP 99 Cb 0.69 0.02 -0.06 0.00 -1.35 0.00 0.00 41.12 40.42 3hmb n ASP 99 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3hmb s GLY 100 N -2.05 1.65 -0.52 6.12 0.00 0.12 -5.06 107.32 107.58 3hmb s GLY 100 Ca 0.35 -1.63 -0.22 0.00 0.00 0.00 0.00 44.72 43.22 3hmb s GLY 100 CO 0.35 -1.66 0.80 -0.35 0.00 0.00 0.00 173.10 172.23 3hmb s ASP 101 N -3.75 6.31 0.19 1.64 -1.08 -1.26 -4.85 116.67 113.87 3hmb s ASP 101 Ca 0.33 -0.50 -0.10 0.00 -0.52 0.00 0.00 52.55 51.76 3hmb s ASP 101 Cb -0.06 -2.37 0.11 0.00 -1.46 0.00 0.00 42.92 39.13 3hmb s ASP 101 CO 0.22 -1.05 1.74 0.15 0.52 0.00 0.00 175.17 176.75 3hmb h PHE 102 N 9.14 1.05 -0.29 -5.34 3.57 -1.90 -1.56 116.94 121.60 3hmb h PHE 102 Ca -0.26 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.21 3hmb h PHE 102 Cb 1.08 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 3hmb h PHE 102 CO 0.83 0.82 -0.07 0.00 -2.23 0.00 0.00 178.31 177.66 3hmb h ALA 103 N 1.11 0.19 0.00 2.41 0.00 -1.97 0.29 119.26 121.29 3hmb h ALA 103 Ca 0.23 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 3hmb h ALA 103 Cb 0.23 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hmb h ALA 103 CO -0.02 -0.47 -0.32 -0.22 0.00 0.00 0.00 179.25 178.22 3hmb h LYS 104 N -0.00 0.00 -0.33 0.00 3.64 -1.89 -1.68 116.57 116.31 3hmb h LYS 104 Ca 0.14 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.35 3hmb h LYS 104 Cb 0.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3hmb h LYS 104 CO -0.30 0.32 -0.48 0.00 -2.27 0.00 0.00 179.45 176.73 3hmb h ALA 105 N 1.68 0.53 -0.86 5.00 0.00 -0.18 -1.88 119.26 123.54 3hmb h ALA 105 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3hmb h ALA 105 Cb 0.58 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3hmb h ALA 105 CO 0.04 0.68 0.50 1.15 0.00 0.00 0.00 179.25 181.62 3hmb h THR 106 N 0.70 1.24 0.26 0.00 2.02 0.11 -1.23 112.91 116.01 3hmb h THR 106 Ca 0.03 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3hmb h THR 106 Cb 1.08 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3hmb h THR 106 CO 0.11 0.26 -0.12 0.00 0.37 0.00 0.00 175.52 176.14 3hmb h ALA 107 N 1.27 -0.35 -0.97 6.16 0.00 -1.12 -1.26 119.26 123.00 3hmb h ALA 107 Ca 0.30 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.32 3hmb h ALA 107 Cb -0.01 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 3hmb h ALA 107 CO -0.05 -0.68 0.61 -0.91 0.00 0.00 0.00 179.25 178.22 3hmb h ASN 108 N -0.38 0.61 -0.33 0.00 2.35 -0.86 0.12 115.58 117.10 3hmb h ASN 108 Ca -0.04 0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.63 3hmb h ASN 108 Cb 0.29 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3hmb h ASN 108 CO 0.06 0.23 -0.39 0.00 -1.65 0.00 0.00 177.43 175.68 3hmb h ALA 109 N 1.62 0.49 -0.64 -0.83 0.00 -0.93 -1.95 119.26 117.02 3hmb h ALA 109 Ca 0.53 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hmb h ALA 109 Cb 1.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3hmb h ALA 109 CO -0.29 0.59 0.38 1.96 0.00 0.00 0.00 179.25 181.89 3hmb h GLN 110 N 0.62 0.87 0.03 0.00 4.20 0.40 0.54 115.11 121.77 3hmb h GLN 110 Ca 0.04 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3hmb h GLN 110 Cb 0.98 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3hmb h GLN 110 CO 0.09 0.62 -0.01 2.35 -0.67 0.00 0.00 178.83 181.21 3hmb h TRP 111 N 0.88 -0.04 -0.53 2.96 7.01 -1.05 -1.74 115.95 123.44 3hmb h TRP 111 Ca 0.23 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.32 3hmb h TRP 111 Cb -0.02 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 26.98 3hmb h TRP 111 CO 0.00 0.32 0.11 1.25 -2.79 0.00 0.00 178.44 177.33 3hmb h LEU 112 N -0.40 0.00 -0.92 0.65 5.85 -0.82 -1.33 115.31 118.34 3hmb h LEU 112 Ca -0.00 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3hmb h LEU 112 Cb 0.38 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 3hmb h LEU 112 CO 0.01 0.03 0.61 0.40 -0.34 0.00 0.00 178.44 179.14 3hmb h ILE 113 N 0.25 1.24 0.37 4.05 2.04 -0.84 0.12 117.51 124.73 3hmb h ILE 113 Ca 0.27 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3hmb h ILE 113 Cb 0.37 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3hmb h ILE 113 CO -0.35 0.23 -0.18 0.50 0.00 0.00 0.00 178.15 178.35 3hmb h LYS 114 N 1.25 -0.48 -0.66 2.37 3.64 -0.36 0.11 116.57 122.43 3hmb h LYS 114 Ca 0.34 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.82 3hmb h LYS 114 Cb -0.14 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 3hmb h LYS 114 CO -0.07 -0.29 0.35 1.15 -2.27 0.00 0.00 179.45 178.32 3hmb h THR 115 N -0.55 0.92 -0.76 1.00 2.02 -1.01 -2.20 112.91 112.32 3hmb h THR 115 Ca -0.05 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 3hmb h THR 115 Cb 0.41 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3hmb h THR 115 CO 0.08 0.12 0.27 -0.07 0.37 0.00 0.00 175.52 176.29 3hmb h LEU 116 N 0.63 1.07 -0.74 2.58 4.07 -0.49 -1.48 115.31 120.96 3hmb h LEU 116 Ca 0.31 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 3hmb h LEU 116 Cb 0.24 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 3hmb h LEU 116 CO -0.21 0.97 0.46 0.24 -1.08 0.00 0.00 178.44 178.82 3hmb h MET 117 N 1.12 0.99 -0.20 1.13 2.86 -0.17 -2.16 114.93 118.50 3hmb h MET 117 Ca 0.25 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.66 3hmb h MET 117 Cb 0.26 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3hmb h MET 117 CO -0.01 0.69 -0.46 0.00 1.06 0.00 0.00 176.91 178.18 3hmb h ALA 118 N 1.24 0.33 0.00 6.32 0.00 -1.26 0.36 119.26 126.25 3hmb h ALA 118 Ca 0.27 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3hmb h ALA 118 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hmb h ALA 118 CO -0.05 0.48 -0.26 0.93 0.00 0.00 0.00 179.25 180.34 3hmb h GLU 119 N 0.37 0.00 0.00 0.00 4.39 -1.11 -3.22 114.58 115.02 3hmb h GLU 119 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hmb h GLU 119 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3hmb h GLU 119 CO 0.10 0.26 -0.02 0.72 -1.16 0.00 0.00 179.01 178.92 3hmb n HIS 120 N -3.91 0.00 -3.90 4.33 8.25 -0.83 -5.00 115.22 114.16 3hmb n HIS 120 Ca -0.02 -0.91 -0.29 0.00 -0.26 0.00 0.00 57.72 56.24 3hmb n HIS 120 Cb 0.34 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.32 3hmb n HIS 120 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3hmb n ASN 121 N -1.29 -2.05 -4.58 0.41 5.03 -0.73 -4.94 115.26 107.11 3hmb n ASN 121 Ca 0.14 -1.04 -0.35 0.00 0.87 0.00 0.00 54.58 54.19 3hmb n ASN 121 Cb 0.60 -2.98 -0.11 0.00 -1.02 0.00 0.00 39.78 36.27 3hmb n ASN 121 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hmb s ILE 122 N -3.79 4.60 0.64 2.41 -1.09 0.04 -5.04 121.20 118.96 3hmb s ILE 122 Ca 0.18 -0.09 -0.13 0.00 -2.23 0.00 0.00 60.65 58.37 3hmb s ILE 122 Cb -0.07 -3.08 -0.02 0.00 -1.58 0.00 0.00 42.46 37.71 3hmb s ILE 122 CO 0.89 0.44 1.05 -0.94 -1.23 0.00 0.00 174.94 175.16 3hmb s SER 123 N 0.61 5.63 0.54 3.58 1.04 -1.26 -4.67 113.70 119.17 3hmb s SER 123 Ca 0.03 1.71 0.31 0.00 0.48 0.00 0.00 55.95 58.47 3hmb s SER 123 Cb -0.13 -2.51 1.53 0.00 0.10 0.00 0.00 66.02 65.00 3hmb s SER 123 CO 0.02 -1.27 2.08 0.25 0.98 0.00 0.00 173.24 175.29 3hmb h LEU 124 N -0.10 0.00 -0.06 2.42 5.85 -1.98 -1.60 115.31 119.84 3hmb h LEU 124 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3hmb h LEU 124 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3hmb h LEU 124 CO 0.57 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 3hmb n ALA 125 N -2.21 2.22 1.48 1.25 0.00 -1.26 -2.92 120.51 119.06 3hmb n ALA 125 Ca -0.01 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.53 3hmb n ALA 125 Cb 0.25 -1.45 0.51 0.00 0.00 0.00 0.00 19.45 18.75 3hmb n ALA 125 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hmb n ASN 126 N -1.99 1.45 -4.45 0.00 3.02 -0.60 -4.60 115.26 108.08 3hmb n ASN 126 Ca 0.06 -1.44 -0.44 0.00 -0.03 0.00 0.00 54.58 52.73 3hmb n ASN 126 Cb 0.38 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 3hmb n ASN 126 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hmb s VAL 127 N -2.05 4.84 0.17 2.41 1.01 -1.15 -1.85 120.40 123.79 3hmb s VAL 127 Ca 0.37 -1.86 0.07 0.00 0.00 0.00 0.00 61.98 60.55 3hmb s VAL 127 Cb 0.21 -4.79 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 3hmb s VAL 127 CO 0.35 -1.51 0.03 0.68 0.00 0.00 0.00 175.10 174.65 3hmb s VAL 128 N 2.30 3.89 0.85 2.92 -7.23 -0.95 -4.99 120.40 117.19 3hmb s VAL 128 Ca 0.34 -1.34 -0.12 0.00 -1.81 0.00 0.00 61.98 59.05 3hmb s VAL 128 Cb -0.05 -2.96 0.10 0.00 0.56 0.00 0.00 36.38 34.04 3hmb s VAL 128 CO -0.07 -0.10 1.17 -2.16 -0.31 0.00 0.00 175.10 173.63 3hmb s PRO 129 N -2.96 1.66 0.50 4.82 0.04 -1.26 -2.21 135.00 135.59 3hmb s PRO 129 Ca 0.28 0.13 0.15 0.00 0.04 0.00 0.00 61.00 61.61 3hmb s PRO 129 Cb -0.09 -1.91 1.18 0.00 0.04 0.00 0.00 34.50 33.71 3hmb s PRO 129 CO 0.20 -1.81 2.10 1.25 0.04 0.00 0.00 177.00 178.78 3hmb h HIS 130 N -1.21 0.01 0.00 0.56 -0.00 -0.94 -1.11 115.15 112.46 3hmb h HIS 130 Ca -0.47 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 3hmb h HIS 130 Cb 1.33 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.73 3hmb h HIS 130 CO 0.22 0.06 0.00 -0.22 -0.00 0.00 0.00 177.93 177.99 3hmb h LYS 131 N 0.01 0.00 0.00 5.26 3.64 -1.45 -1.26 116.57 122.78 3hmb h LYS 131 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hmb h LYS 131 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3hmb h LYS 131 CO 0.01 0.00 0.00 -0.92 -2.27 0.00 0.00 179.45 176.27 3hmb h TYR 132 N 0.00 0.00 0.00 1.91 3.20 -1.51 -2.40 116.97 118.17 3hmb h TYR 132 Ca 0.00 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.56 3hmb h TYR 132 Cb 0.17 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 3hmb h TYR 132 CO 0.00 0.00 -2.02 0.91 -1.64 0.00 0.00 178.16 175.41 3hmb n TRP 133 N -2.93 0.00 -0.03 -3.82 7.02 -0.49 -4.81 117.44 112.38 3hmb n TRP 133 Ca 0.02 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.53 3hmb n TRP 133 Cb 0.37 -0.66 -0.11 0.00 -2.42 0.00 0.00 31.31 28.49 3hmb n TRP 133 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3hmb n SER 134 N -3.79 1.57 0.00 -0.99 3.41 -1.11 -4.82 113.62 107.90 3hmb n SER 134 Ca -0.36 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 3hmb n SER 134 Cb 0.76 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 66.11 3hmb n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hmb n GLY 135 N 1.81 1.63 3.61 5.00 0.00 -0.90 -5.03 105.19 111.31 3hmb n GLY 135 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3hmb n GLY 135 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hmb n LYS 136 N -2.00 1.14 -2.08 1.61 4.81 -1.26 -4.77 118.16 115.61 3hmb n LYS 136 Ca 0.00 0.42 -0.38 0.00 -0.87 0.00 0.00 58.31 57.48 3hmb n LYS 136 Cb 0.00 -2.09 -0.03 0.00 0.02 0.00 0.00 35.03 32.93 3hmb n LYS 136 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hmb n GLU 137 N -0.33 2.36 -3.77 1.64 -0.58 -1.26 -3.46 120.64 115.23 3hmb n GLU 137 Ca 0.11 -2.70 -0.13 0.00 -0.42 0.00 0.00 57.16 54.03 3hmb n GLU 137 Cb 0.43 -3.46 -0.13 0.00 -0.57 0.00 0.00 31.44 27.71 3hmb n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hmb s PRO 139 N 0.58 4.27 0.48 0.00 0.04 -1.26 -1.77 135.00 137.34 3hmb s PRO 139 Ca -0.04 1.96 0.19 0.00 0.04 0.00 0.00 61.00 63.15 3hmb s PRO 139 Cb -0.05 -3.62 1.21 0.00 0.04 0.00 0.00 34.50 32.07 3hmb s PRO 139 CO -0.03 -0.61 2.04 0.07 0.04 0.00 0.00 177.00 178.52 3hmb h ARG 140 N 8.00 0.00 -0.06 4.56 0.11 -1.87 0.17 114.38 125.28 3hmb h ARG 140 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.71 3hmb h ARG 140 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 3hmb h ARG 140 CO 0.91 0.14 0.00 1.63 0.10 0.00 0.00 179.97 182.75 3hmb n LYS 141 N -4.11 1.95 -0.00 0.08 5.02 -1.26 -4.34 118.16 115.51 3hmb n LYS 141 Ca -0.02 -1.39 -0.00 0.00 -2.02 0.00 0.00 58.31 54.88 3hmb n LYS 141 Cb 0.22 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3hmb n LYS 141 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hmb n LEU 142 N 0.67 0.00 0.29 -0.35 7.99 -0.89 -4.69 117.00 120.02 3hmb n LEU 142 Ca 0.17 0.00 0.16 0.00 -0.01 0.00 0.00 56.01 56.33 3hmb n LEU 142 Cb 0.45 0.00 0.81 0.00 -0.11 0.00 0.00 43.42 44.57 3hmb n LEU 142 CO 0.16 0.00 1.14 -0.07 -1.51 0.00 0.00 177.39 177.10 3hmb h LEU 143 N 0.00 0.00 -0.36 2.23 3.38 -1.17 0.27 115.31 119.65 3hmb h LEU 143 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hmb h LEU 143 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3hmb h LEU 143 CO 0.00 0.00 0.06 0.44 0.09 0.00 0.00 178.44 179.03 3hmb h ASP 144 N 0.00 0.58 -1.58 -0.43 3.32 -1.83 -3.34 116.42 113.13 3hmb h ASP 144 Ca 0.04 -0.26 -0.45 0.00 0.02 0.00 0.00 57.03 56.37 3hmb h ASP 144 Cb 0.73 -0.15 -0.40 0.00 0.22 0.00 0.00 39.33 39.73 3hmb h ASP 144 CO -0.00 0.69 -1.11 0.29 -1.72 0.00 0.00 179.24 177.40 3hmb n LYS 145 N -4.56 1.47 -0.03 3.56 4.76 -0.10 -4.93 118.16 118.32 3hmb n LYS 145 Ca -0.01 -3.57 0.22 0.00 -2.87 0.00 0.00 58.31 52.08 3hmb n LYS 145 Cb 0.23 -1.62 0.69 0.00 -1.84 0.00 0.00 35.03 32.49 3hmb n LYS 145 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 3hmb h TRP 146 N 2.96 0.01 -0.02 2.13 2.91 -1.18 -1.71 115.95 121.05 3hmb h TRP 146 Ca 0.04 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 3hmb h TRP 146 Cb 1.01 -0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.66 3hmb h TRP 146 CO 0.54 0.00 0.00 -0.44 -1.03 0.00 0.00 178.44 177.52 3hmb h ASP 147 N 0.00 0.02 -0.98 2.65 3.45 -1.92 -1.86 116.42 117.79 3hmb h ASP 147 Ca 0.28 -0.26 0.08 0.00 0.43 0.00 0.00 57.03 57.56 3hmb h ASP 147 Cb 1.13 -0.01 -0.07 0.00 -0.56 0.00 0.00 39.33 39.83 3hmb h ASP 147 CO -0.00 0.28 0.63 0.28 -1.57 0.00 0.00 179.24 178.86 3hmb h SER 148 N -0.23 0.99 0.45 6.45 0.02 -1.71 -0.99 113.55 118.52 3hmb h SER 148 Ca 0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3hmb h SER 148 Cb 0.27 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3hmb h SER 148 CO 0.00 0.61 -0.22 0.15 -1.14 0.00 0.00 176.83 176.23 3hmb h PHE 149 N 1.10 -0.57 -1.00 3.45 3.57 -1.32 -3.03 116.94 119.15 3hmb h PHE 149 Ca 0.44 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.12 3hmb h PHE 149 Cb 0.25 0.19 -0.11 0.00 2.79 0.00 0.00 35.95 39.07 3hmb h PHE 149 CO -0.00 -0.35 0.60 0.87 -2.23 0.00 0.00 178.31 177.20 3hmb h LYS 150 N -0.74 0.73 0.00 1.11 1.57 -1.30 0.88 116.57 118.83 3hmb h LYS 150 Ca -0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3hmb h LYS 150 Cb 0.47 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3hmb h LYS 150 CO 0.10 0.48 0.02 0.00 -0.57 0.00 0.00 179.45 179.48 3hmb n ALA 151 N -2.33 0.97 1.00 3.86 0.00 -0.38 -0.68 120.51 122.95 3hmb n ALA 151 Ca 0.23 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.79 3hmb n ALA 151 Cb 0.57 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 3hmb n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmb n GLY 152 N -1.47 -0.96 0.40 0.00 0.00 0.31 -4.56 105.19 98.92 3hmb n GLY 152 Ca -0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 3hmb n GLY 152 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hmb h ILE 153 N 0.19 0.00 0.00 -0.61 1.08 -0.91 -3.47 117.51 113.80 3hmb h ILE 153 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3hmb h ILE 153 Cb 0.52 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 3hmb h ILE 153 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07