#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpb s THR 20 N 0.00 1.83 -0.15 1.39 -4.23 0.18 -5.00 115.64 109.65 3dpb s THR 20 Ca 0.00 -1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 59.14 3dpb s THR 20 Cb 0.00 -1.59 0.05 0.00 1.34 0.00 0.00 72.50 72.30 3dpb s THR 20 CO 0.00 0.20 0.08 -0.22 -0.54 0.00 0.00 174.62 174.14 3dpb s LEU 21 N -1.34 0.38 0.33 4.79 2.96 -1.26 -1.35 118.68 123.18 3dpb s LEU 21 Ca 0.09 -0.50 0.09 0.00 -0.22 0.00 0.00 54.13 53.59 3dpb s LEU 21 Cb -0.09 -0.25 -0.05 0.00 0.50 0.00 0.00 46.19 46.29 3dpb s LEU 21 CO 0.02 -0.33 0.03 0.42 -1.32 0.00 0.00 176.35 175.18 3dpb s THR 22 N 2.12 2.81 -0.02 3.68 -4.23 -0.92 -4.98 115.64 114.10 3dpb s THR 22 Ca 0.02 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.62 3dpb s THR 22 Cb -0.15 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 70.88 3dpb s THR 22 CO -0.08 -0.23 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.28 3dpb s TYR 23 N -2.47 0.40 -0.17 3.99 5.04 -1.26 -0.37 117.35 122.51 3dpb s TYR 23 Ca 0.35 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 3dpb s TYR 23 Cb -0.02 -0.39 0.01 0.00 0.35 0.00 0.00 41.96 41.91 3dpb s TYR 23 CO 0.20 -0.10 -0.16 0.21 -1.34 0.00 0.00 175.55 174.36 3dpb s LYS 24 N 0.62 3.15 0.34 4.97 2.20 -0.45 -4.98 119.74 125.59 3dpb s LYS 24 Ca -0.07 -0.77 -0.28 0.00 -0.36 0.00 0.00 55.97 54.49 3dpb s LYS 24 Cb -0.10 -2.63 -0.10 0.00 -1.51 0.00 0.00 37.83 33.49 3dpb s LYS 24 CO -0.01 -0.08 1.31 -2.00 -0.36 0.00 0.00 175.35 174.21 3dpb s GLU 25 N 1.03 4.30 0.00 4.03 2.12 -1.26 -1.24 118.70 127.68 3dpb s GLU 25 Ca -0.01 2.21 0.00 0.00 0.36 0.00 0.00 54.97 57.53 3dpb s GLU 25 Cb -0.15 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.22 3dpb s GLU 25 CO -0.04 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 3dpb n GLY 26 N 0.77 0.56 3.77 -1.50 0.00 0.35 -4.86 105.19 104.29 3dpb n GLY 26 Ca 0.00 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 3dpb n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpb s ALA 27 N -3.32 2.96 0.77 4.61 0.00 -1.26 -4.92 121.76 120.60 3dpb s ALA 27 Ca 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 3dpb s ALA 27 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3dpb s ALA 27 CO 0.00 -0.59 0.55 -2.30 0.00 0.00 0.00 175.76 173.42 3dpb n PRO 28 N -0.53 0.19 -3.34 0.00 -0.02 -1.26 -4.84 135.00 125.20 3dpb n PRO 28 Ca 0.07 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.29 3dpb n PRO 28 Cb 0.49 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 3dpb n PRO 28 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dpb s ILE 29 N -2.01 5.20 -0.23 4.25 -1.09 -1.26 -5.06 121.20 121.00 3dpb s ILE 29 Ca 0.64 0.91 -0.13 0.00 -2.23 0.00 0.00 60.65 59.84 3dpb s ILE 29 Cb -0.32 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 3dpb s ILE 29 CO 0.59 0.34 0.29 -0.89 -1.23 0.00 0.00 174.94 174.04 3dpb s THR 30 N 0.57 5.27 0.25 2.92 2.01 -1.26 -5.06 115.64 120.33 3dpb s THR 30 Ca 0.25 0.45 -0.30 0.00 0.31 0.00 0.00 61.69 62.40 3dpb s THR 30 Cb -0.15 -3.62 -0.10 0.00 0.01 0.00 0.00 72.50 68.64 3dpb s THR 30 CO 0.10 0.28 1.38 -0.63 -0.69 0.00 0.00 174.62 175.05 3dpb s ILE 31 N 1.31 2.83 0.72 1.82 -1.09 -1.26 -4.68 121.20 120.86 3dpb s ILE 31 Ca 0.13 0.72 -0.07 0.00 -2.23 0.00 0.00 60.65 59.20 3dpb s ILE 31 Cb -0.14 -3.46 0.07 0.00 -1.58 0.00 0.00 42.46 37.35 3dpb s ILE 31 CO 0.07 0.12 1.04 -0.04 -1.23 0.00 0.00 174.94 174.90 3dpb s MET 32 N -0.55 2.07 0.53 2.79 -1.94 -0.05 -4.93 119.30 117.21 3dpb s MET 32 Ca 0.57 -0.30 0.21 0.00 -1.71 0.00 0.00 55.69 54.46 3dpb s MET 32 Cb -0.40 -2.15 1.42 0.00 2.01 0.00 0.00 34.83 35.71 3dpb s MET 32 CO 0.43 -1.33 2.15 0.22 -0.01 0.00 0.00 175.02 176.48 3dpb h ASP 33 N -0.67 0.00 -0.13 3.03 1.82 -1.96 -0.28 116.42 118.23 3dpb h ASP 33 Ca -0.44 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.20 3dpb h ASP 33 Cb 1.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.32 3dpb h ASP 33 CO 0.58 0.05 0.00 -0.46 -1.61 0.00 0.00 179.24 177.80 3dpb n ASN 34 N -4.17 0.72 0.00 2.28 0.23 -1.26 -4.89 115.26 108.17 3dpb n ASN 34 Ca -0.03 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.06 3dpb n ASN 34 Cb 0.13 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 3dpb n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dpb n GLY 35 N 0.73 0.82 3.16 4.83 0.00 -0.11 -4.76 105.19 109.86 3dpb n GLY 35 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 3dpb n GLY 35 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dpb n ASN 36 N -0.01 2.02 -4.41 1.61 2.85 -1.26 -0.91 115.26 115.15 3dpb n ASN 36 Ca 0.00 -2.38 -0.21 0.00 -0.11 0.00 0.00 54.58 51.88 3dpb n ASN 36 Cb 0.01 -0.22 -0.10 0.00 1.24 0.00 0.00 39.78 40.71 3dpb n ASN 36 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3dpb s ILE 37 N -2.06 1.69 0.51 -1.44 -4.36 -1.26 -0.87 121.20 113.40 3dpb s ILE 37 Ca 0.40 -2.15 -0.14 0.00 -0.26 0.00 0.00 60.65 58.49 3dpb s ILE 37 Cb -0.03 -2.36 -0.07 0.00 1.25 0.00 0.00 42.46 41.25 3dpb s ILE 37 CO 0.25 -0.36 0.94 -0.62 0.24 0.00 0.00 174.94 175.39 3dpb s ASP 38 N -3.42 6.54 0.57 4.36 2.15 -1.26 -4.76 116.67 120.84 3dpb s ASP 38 Ca 0.28 1.44 -0.12 0.00 0.43 0.00 0.00 52.55 54.58 3dpb s ASP 38 Cb 0.02 -2.46 -0.05 0.00 -0.30 0.00 0.00 42.92 40.14 3dpb s ASP 38 CO 0.11 -0.59 0.98 0.42 -0.17 0.00 0.00 175.17 175.92 3dpb s THR 39 N -2.66 4.69 -0.18 1.71 -4.23 -1.25 -4.39 115.64 109.33 3dpb s THR 39 Ca 0.56 0.89 0.00 0.00 -1.18 0.00 0.00 61.69 61.97 3dpb s THR 39 Cb -0.10 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.92 3dpb s THR 39 CO 0.35 -0.96 0.00 -0.62 -0.54 0.00 0.00 174.62 172.85 3dpb n GLU 40 N -2.30 -1.26 -2.13 3.99 -0.58 0.90 -4.85 120.64 114.41 3dpb n GLU 40 Ca 0.05 0.41 -0.40 0.00 -0.42 0.00 0.00 57.16 56.80 3dpb n GLU 40 Cb 0.54 -4.39 -0.02 0.00 -0.57 0.00 0.00 31.44 27.00 3dpb n GLU 40 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3dpb s LEU 41 N -0.39 4.37 -0.82 -4.62 1.43 -1.26 -4.68 118.68 112.71 3dpb s LEU 41 Ca 0.00 2.63 -0.25 0.00 -1.03 0.00 0.00 54.13 55.48 3dpb s LEU 41 Cb 0.00 -3.73 0.02 0.00 0.03 0.00 0.00 46.19 42.51 3dpb s LEU 41 CO 0.00 -0.59 1.51 -0.22 0.23 0.00 0.00 176.35 177.28 3dpb s LEU 42 N -1.97 3.29 0.19 1.79 2.96 -1.26 -1.55 118.68 122.12 3dpb s LEU 42 Ca 0.51 -0.65 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 3dpb s LEU 42 Cb -0.38 -2.56 0.11 0.00 0.50 0.00 0.00 46.19 43.86 3dpb s LEU 42 CO 0.50 -1.94 1.60 0.58 -1.32 0.00 0.00 176.35 175.77 3dpb h VAL 43 N 6.56 1.27 0.00 1.68 2.07 -1.15 -3.36 116.25 123.32 3dpb h VAL 43 Ca -0.08 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3dpb h VAL 43 Cb 1.05 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3dpb h VAL 43 CO 1.31 0.46 0.00 0.61 0.02 0.00 0.00 177.57 179.96 3dpb n GLY 44 N -0.20 -1.72 3.03 2.17 0.00 -1.21 -0.49 105.19 106.76 3dpb n GLY 44 Ca 0.00 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 3dpb n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dpb s THR 45 N -2.34 1.36 -0.14 2.61 2.01 -0.37 -0.98 115.64 117.78 3dpb s THR 45 Ca 0.00 -0.57 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 3dpb s THR 45 Cb 0.00 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 3dpb s THR 45 CO 0.00 0.41 0.38 -0.76 -0.69 0.00 0.00 174.62 173.97 3dpb s LEU 46 N 0.98 4.25 -0.27 4.42 1.43 0.10 -1.33 118.68 128.26 3dpb s LEU 46 Ca -0.07 0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 53.63 3dpb s LEU 46 Cb -0.15 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.55 3dpb s LEU 46 CO -0.01 0.04 0.02 -0.89 0.23 0.00 0.00 176.35 175.74 3dpb s THR 47 N 0.59 3.53 -0.24 5.49 2.01 0.50 -0.61 115.64 126.91 3dpb s THR 47 Ca 0.21 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 3dpb s THR 47 Cb -0.14 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 3dpb s THR 47 CO 0.07 0.16 0.16 -0.22 -0.69 0.00 0.00 174.62 174.10 3dpb s LEU 48 N 1.44 4.08 0.09 4.42 2.96 -0.46 -2.16 118.68 129.05 3dpb s LEU 48 Ca 0.02 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 3dpb s LEU 48 Cb -0.17 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3dpb s LEU 48 CO -0.00 0.06 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.13 3dpb s GLY 49 N 1.11 0.89 0.00 7.98 0.00 -0.46 -0.63 107.32 116.22 3dpb s GLY 49 Ca 0.07 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.64 3dpb s GLY 49 CO 0.05 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.55 3dpb n GLY 50 N 0.77 0.71 3.85 0.20 0.00 -0.94 -0.65 105.19 109.12 3dpb n GLY 50 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3dpb n GLY 50 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dpb s TYR 51 N -2.00 2.77 0.44 1.61 -0.85 -1.26 -4.57 117.35 113.49 3dpb s TYR 51 Ca 0.00 0.81 -0.22 0.00 -0.52 0.00 0.00 57.07 57.15 3dpb s TYR 51 Cb 0.00 -3.43 -0.10 0.00 0.38 0.00 0.00 41.96 38.82 3dpb s TYR 51 CO 0.00 -2.01 1.00 0.21 -1.52 0.00 0.00 175.55 173.23 3dpb s LYS 52 N -5.43 4.07 -0.16 -3.49 2.20 -1.26 -4.77 119.74 110.90 3dpb s LYS 52 Ca 0.63 1.31 -0.41 0.00 -0.36 0.00 0.00 55.97 57.13 3dpb s LYS 52 Cb -0.13 -2.26 -0.19 0.00 -1.51 0.00 0.00 37.83 33.75 3dpb s LYS 52 CO 0.51 -0.19 1.36 2.41 -0.36 0.00 0.00 175.35 179.07 3dpb n THR 53 N -0.58 0.04 -0.48 3.43 -1.04 -1.26 -2.28 114.28 112.11 3dpb n THR 53 Ca 0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3dpb n THR 53 Cb 0.52 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 3dpb n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dpb n GLY 54 N 2.73 0.81 3.68 3.41 0.00 -1.26 -5.02 105.19 109.54 3dpb n GLY 54 Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 3dpb n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dpb n THR 55 N -2.00 0.13 -3.09 2.61 -1.04 -0.96 -4.86 114.28 105.07 3dpb n THR 55 Ca 0.00 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.05 61.81 3dpb n THR 55 Cb 0.00 -1.76 0.01 0.00 -1.82 0.00 0.00 70.33 66.76 3dpb n THR 55 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3dpb s THR 56 N 1.66 3.03 0.22 12.58 -4.23 -1.26 -1.21 115.64 126.42 3dpb s THR 56 Ca 0.80 -1.03 0.35 0.00 -1.18 0.00 0.00 61.69 60.63 3dpb s THR 56 Cb -0.62 -3.02 0.40 0.00 1.34 0.00 0.00 72.50 70.60 3dpb s THR 56 CO 0.38 -0.01 2.06 0.77 -0.54 0.00 0.00 174.62 177.29 3dpb h SER 57 N 0.69 0.00 1.63 3.99 4.64 -0.88 -2.64 113.55 120.99 3dpb h SER 57 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3dpb h SER 57 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3dpb h SER 57 CO 0.47 0.01 -0.09 0.71 -0.87 0.00 0.00 176.83 177.06 3dpb h THR 58 N 0.00 0.00 -0.00 2.95 1.35 -1.86 -2.84 112.91 112.51 3dpb h THR 58 Ca -0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3dpb h THR 58 Cb 0.41 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3dpb h THR 58 CO 0.00 0.00 -0.09 -1.20 -0.25 0.00 0.00 175.52 173.98 3dpb n SER 59 N -2.61 0.27 -4.64 5.36 7.64 -0.99 -4.78 113.62 113.87 3dpb n SER 59 Ca 0.05 -0.28 -0.38 0.00 1.01 0.00 0.00 58.87 59.26 3dpb n SER 59 Cb 0.48 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.42 3dpb n SER 59 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dpb s VAL 60 N -2.61 5.26 -0.21 0.44 1.01 -1.07 -0.42 120.40 122.80 3dpb s VAL 60 Ca 0.25 0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 3dpb s VAL 60 Cb 0.20 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 33.01 3dpb s VAL 60 CO 0.50 0.26 -0.05 0.21 0.00 0.00 0.00 175.10 176.02 3dpb s ASN 61 N 1.29 3.42 -0.14 3.32 2.47 -0.61 -0.30 114.94 124.40 3dpb s ASN 61 Ca 0.13 -0.97 -0.21 0.00 0.42 0.00 0.00 52.86 52.23 3dpb s ASN 61 Cb -0.15 -1.04 -0.03 0.00 -1.45 0.00 0.00 41.25 38.58 3dpb s ASN 61 CO 0.08 -0.22 0.62 -0.36 -3.72 0.00 0.00 177.10 173.50 3dpb s PHE 62 N 1.51 3.47 0.15 0.43 0.40 0.38 -0.52 117.98 123.81 3dpb s PHE 62 Ca -0.03 1.03 0.07 0.00 -0.60 0.00 0.00 56.93 57.39 3dpb s PHE 62 Cb -0.17 -2.75 -0.04 0.00 0.51 0.00 0.00 43.02 40.56 3dpb s PHE 62 CO -0.07 -0.02 -0.14 0.95 0.70 0.00 0.00 175.22 176.64 3dpb s THR 63 N 1.30 1.50 0.31 0.64 -4.23 0.35 0.81 115.64 116.31 3dpb s THR 63 Ca 0.31 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 58.84 3dpb s THR 63 Cb -0.16 -1.77 -0.00 0.00 1.34 0.00 0.00 72.50 71.91 3dpb s THR 63 CO 0.13 -0.49 0.44 1.51 -0.54 0.00 0.00 174.62 175.66 3dpb s ASP 64 N -2.82 0.59 0.26 3.99 -4.77 -1.26 -0.41 116.67 112.25 3dpb s ASP 64 Ca 0.15 -1.34 -0.03 0.00 -3.30 0.00 0.00 52.55 48.02 3dpb s ASP 64 Cb -0.03 0.62 0.32 0.00 -1.09 0.00 0.00 42.92 42.74 3dpb s ASP 64 CO 0.04 -1.21 1.82 0.00 0.70 0.00 0.00 175.17 176.52 3dpb h ALA 65 N 2.20 1.17 -0.92 2.11 0.00 -1.94 -2.29 119.26 119.58 3dpb h ALA 65 Ca -0.29 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.45 3dpb h ALA 65 Cb 1.24 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3dpb h ALA 65 CO 0.39 0.58 0.61 0.00 0.00 0.00 0.00 179.25 180.84 3dpb h ALA 66 N 1.29 1.36 -2.21 0.00 0.00 -1.96 -3.46 119.26 114.29 3dpb h ALA 66 Ca 0.21 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 3dpb h ALA 66 Cb 0.24 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3dpb h ALA 66 CO -0.01 0.58 -0.40 0.41 0.00 0.00 0.00 179.25 179.82 3dpb n GLY 67 N -1.39 -0.24 3.62 0.00 0.00 -0.86 -4.97 105.19 101.35 3dpb n GLY 67 Ca 0.11 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3dpb n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dpb s ASP 68 N -2.30 6.64 0.21 1.61 -1.08 -1.26 -4.96 116.67 115.53 3dpb s ASP 68 Ca 0.00 0.95 -0.32 0.00 -0.52 0.00 0.00 52.55 52.67 3dpb s ASP 68 Cb 0.00 -2.54 -0.15 0.00 -1.46 0.00 0.00 42.92 38.77 3dpb s ASP 68 CO 0.00 -1.15 1.25 -2.65 0.52 0.00 0.00 175.17 173.14 3dpb n PRO 69 N 7.49 1.55 0.00 4.34 -0.02 -1.26 -1.75 135.00 145.35 3dpb n PRO 69 Ca 0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3dpb n PRO 69 Cb 0.47 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3dpb n PRO 69 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3dpb n MET 70 N 1.78 0.00 -4.72 -0.52 2.81 0.51 -4.98 117.12 112.01 3dpb n MET 70 Ca 0.13 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.79 3dpb n MET 70 Cb 0.28 -1.60 -0.15 0.00 -0.71 0.00 0.00 33.22 31.04 3dpb n MET 70 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3dpb s TYR 71 N -2.40 1.40 -0.04 2.03 1.51 -0.71 -4.57 117.35 114.56 3dpb s TYR 71 Ca 0.00 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 3dpb s TYR 71 Cb 0.00 -0.91 -0.05 0.00 -0.11 0.00 0.00 41.96 40.89 3dpb s TYR 71 CO 0.00 -0.05 0.45 -0.51 -1.11 0.00 0.00 175.55 174.33 3dpb s LEU 72 N -0.27 4.40 -0.16 -1.29 1.43 -0.80 -4.33 118.68 117.66 3dpb s LEU 72 Ca 0.04 0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 54.06 3dpb s LEU 72 Cb -0.07 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.49 3dpb s LEU 72 CO -0.00 0.20 -0.11 -0.89 0.23 0.00 0.00 176.35 175.77 3dpb s THR 73 N -0.42 3.02 -0.09 5.49 2.01 -1.26 -1.07 115.64 123.31 3dpb s THR 73 Ca 0.25 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 3dpb s THR 73 Cb -0.16 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 3dpb s THR 73 CO 0.13 0.50 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.13 3dpb s PHE 74 N 0.79 2.97 -0.02 4.92 0.40 0.23 -4.67 117.98 122.61 3dpb s PHE 74 Ca -0.04 -0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.26 3dpb s PHE 74 Cb -0.15 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 3dpb s PHE 74 CO 0.01 0.23 -0.15 0.99 0.70 0.00 0.00 175.22 177.00 3dpb s THR 75 N -0.48 1.24 0.81 0.64 2.01 -0.97 -1.13 115.64 117.76 3dpb s THR 75 Ca 0.07 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 3dpb s THR 75 Cb -0.12 -1.05 0.08 0.00 0.01 0.00 0.00 72.50 71.42 3dpb s THR 75 CO 0.02 0.36 1.10 -0.94 -0.69 0.00 0.00 174.62 174.47 3dpb s SER 76 N -0.21 4.15 -0.32 3.53 1.04 0.15 -1.53 113.70 120.52 3dpb s SER 76 Ca 0.03 1.84 0.09 0.00 0.48 0.00 0.00 55.95 58.39 3dpb s SER 76 Cb -0.08 -2.49 0.59 0.00 0.10 0.00 0.00 66.02 64.14 3dpb s SER 76 CO 0.00 -2.26 1.62 0.00 0.98 0.00 0.00 173.24 173.58 3dpb n GLN 77 N -3.67 2.42 -0.10 4.02 6.02 -1.22 -4.59 117.38 120.26 3dpb n GLN 77 Ca 0.09 -3.08 0.07 0.00 -0.01 0.00 0.00 57.00 54.07 3dpb n GLN 77 Cb 0.53 -1.97 0.12 0.00 1.02 0.00 0.00 30.24 29.93 3dpb n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3dpb n ASP 78 N -0.88 2.60 0.00 1.08 5.68 -1.26 -4.96 116.55 118.81 3dpb n ASP 78 Ca 0.39 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 3dpb n ASP 78 Cb 1.22 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 41.08 3dpb n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dpb n GLY 79 N 0.79 1.09 0.00 6.12 0.00 -1.26 -4.87 105.19 107.05 3dpb n GLY 79 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3dpb n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dpb n ASN 80 N 0.00 0.91 -3.41 1.61 3.02 -1.26 -5.01 115.26 111.12 3dpb n ASN 80 Ca 0.00 -0.91 -0.18 0.00 -0.03 0.00 0.00 54.58 53.45 3dpb n ASN 80 Cb 0.00 1.07 0.09 0.00 -0.61 0.00 0.00 39.78 40.33 3dpb n ASN 80 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dpb n ASN 81 N -1.54 -3.11 -4.77 6.41 3.02 -1.26 -4.97 115.26 109.05 3dpb n ASN 81 Ca 0.03 -0.59 -0.39 0.00 -0.03 0.00 0.00 54.58 53.61 3dpb n ASN 81 Cb 0.34 -4.99 -0.04 0.00 -0.61 0.00 0.00 39.78 34.47 3dpb n ASN 81 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3dpb s HIS 82 N -3.34 3.47 0.02 3.10 3.76 -1.26 -4.87 115.29 116.17 3dpb s HIS 82 Ca 0.14 1.68 0.01 0.00 -0.15 0.00 0.00 55.06 56.74 3dpb s HIS 82 Cb -0.06 -3.24 -0.02 0.00 1.11 0.00 0.00 32.58 30.37 3dpb s HIS 82 CO 0.71 -0.60 -0.04 -0.65 -0.85 0.00 0.00 174.74 173.32 3dpb s GLN 83 N -1.78 0.32 0.07 1.40 -0.21 -1.26 -0.68 119.66 117.53 3dpb s GLN 83 Ca 0.49 -0.54 0.03 0.00 0.02 0.00 0.00 55.36 55.35 3dpb s GLN 83 Cb -0.29 -0.01 -0.03 0.00 1.00 0.00 0.00 33.01 33.68 3dpb s GLN 83 CO 0.37 -0.02 -0.09 -0.59 -2.12 0.00 0.00 175.29 172.85 3dpb s PHE 84 N -1.19 0.88 0.23 0.91 -0.12 -0.28 -0.24 117.98 118.16 3dpb s PHE 84 Ca -0.12 -0.64 0.06 0.00 -0.05 0.00 0.00 56.93 56.18 3dpb s PHE 84 Cb -0.08 -0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 41.77 3dpb s PHE 84 CO -0.01 -0.06 0.22 0.95 -0.05 0.00 0.00 175.22 176.27 3dpb s THR 85 N -2.23 4.68 0.09 -4.49 -4.23 -0.22 -0.60 115.64 108.64 3dpb s THR 85 Ca 0.00 -1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 59.27 3dpb s THR 85 Cb -0.04 -3.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 3dpb s THR 85 CO -0.01 -0.28 0.06 0.42 -0.54 0.00 0.00 174.62 174.27 3dpb s THR 86 N -2.00 0.16 0.32 3.99 -4.23 -0.24 -1.35 115.64 112.30 3dpb s THR 86 Ca 0.33 -1.69 0.10 0.00 -1.18 0.00 0.00 61.69 59.25 3dpb s THR 86 Cb -0.09 -1.66 -0.05 0.00 1.34 0.00 0.00 72.50 72.04 3dpb s THR 86 CO 0.26 -0.73 -0.05 -1.59 -0.54 0.00 0.00 174.62 171.97 3dpb s LYS 87 N -3.95 1.99 -0.24 3.99 -2.85 0.29 -1.90 119.74 117.07 3dpb s LYS 87 Ca 0.12 -1.75 0.02 0.00 -1.00 0.00 0.00 55.97 53.37 3dpb s LYS 87 Cb 0.07 -1.89 0.05 0.00 -2.06 0.00 0.00 37.83 34.00 3dpb s LYS 87 CO -0.06 0.20 -0.13 0.08 0.10 0.00 0.00 175.35 175.53 3dpb s VAL 88 N -2.51 2.15 -0.05 1.79 1.01 -1.26 -1.31 120.40 120.22 3dpb s VAL 88 Ca 0.33 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.88 3dpb s VAL 88 Cb -0.01 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.23 3dpb s VAL 88 CO 0.18 0.13 -0.02 -0.63 0.00 0.00 0.00 175.10 174.77 3dpb s ILE 89 N 1.16 0.36 0.54 2.22 -1.09 -0.38 -4.37 121.20 119.63 3dpb s ILE 89 Ca -0.05 0.02 0.05 0.00 -2.23 0.00 0.00 60.65 58.44 3dpb s ILE 89 Cb -0.18 -0.45 0.05 0.00 -1.58 0.00 0.00 42.46 40.30 3dpb s ILE 89 CO -0.07 0.20 0.41 0.61 -1.23 0.00 0.00 174.94 174.86 3dpb n GLY 90 N 4.36 2.73 3.12 6.18 0.00 0.40 0.00 105.19 121.98 3dpb n GLY 90 Ca -0.21 -2.29 -0.24 0.00 0.00 0.00 0.00 46.02 43.27 3dpb n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpb s LYS 91 N -4.21 1.49 0.15 1.61 -0.14 -1.26 0.88 119.74 118.26 3dpb s LYS 91 Ca 0.31 -0.56 -0.00 0.00 -1.36 0.00 0.00 55.97 54.36 3dpb s LYS 91 Cb -0.02 -1.36 0.03 0.00 -1.68 0.00 0.00 37.83 34.80 3dpb s LYS 91 CO 0.20 0.27 0.20 -0.40 -0.76 0.00 0.00 175.35 174.86 3dpb n ASP 92 N 2.98 0.26 0.19 2.83 5.68 -0.48 -4.87 116.55 123.13 3dpb n ASP 92 Ca -0.17 -1.22 0.14 0.00 -0.50 0.00 0.00 54.79 53.04 3dpb n ASP 92 Cb 0.54 -0.13 0.58 0.00 -1.14 0.00 0.00 41.12 40.97 3dpb n ASP 92 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3dpb h SER 93 N -0.13 0.00 -0.64 -1.12 0.02 -1.96 -0.76 113.55 108.96 3dpb h SER 93 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3dpb h SER 93 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3dpb h SER 93 CO 0.07 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 173.65 3dpb n ARG 94 N -2.54 3.01 -1.96 3.45 1.85 -1.26 -4.96 116.66 114.26 3dpb n ARG 94 Ca 0.01 -2.64 -0.17 0.00 -1.00 0.00 0.00 57.85 54.06 3dpb n ARG 94 Cb 0.24 -1.61 -0.04 0.00 -1.05 0.00 0.00 32.46 30.00 3dpb n ARG 94 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3dpb n ASP 95 N 1.30 -5.02 -4.83 2.89 2.03 -0.29 -5.02 116.55 107.60 3dpb n ASP 95 Ca 0.23 0.17 -0.33 0.00 0.52 0.00 0.00 54.79 55.39 3dpb n ASP 95 Cb 0.67 -4.08 -0.06 0.00 -0.72 0.00 0.00 41.12 36.93 3dpb n ASP 95 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3dpb s PHE 96 N -2.75 3.35 0.28 -0.67 2.99 -1.26 -4.82 117.98 115.09 3dpb s PHE 96 Ca 0.00 1.48 -0.30 0.00 0.00 0.00 0.00 56.93 58.11 3dpb s PHE 96 Cb 0.00 -2.75 -0.11 0.00 0.00 0.00 0.00 43.02 40.16 3dpb s PHE 96 CO 0.00 -0.09 1.49 -0.51 -0.00 0.00 0.00 175.22 176.11 3dpb s ASP 97 N -2.35 6.53 -0.26 1.36 1.01 -1.26 -1.38 116.67 120.32 3dpb s ASP 97 Ca 0.59 2.80 -0.05 0.00 0.71 0.00 0.00 52.55 56.60 3dpb s ASP 97 Cb -0.09 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.21 3dpb s ASP 97 CO 0.17 -0.78 0.02 -0.63 0.21 0.00 0.00 175.17 174.15 3dpb s ILE 98 N -0.13 3.59 -0.55 0.77 1.01 0.25 -4.80 121.20 121.33 3dpb s ILE 98 Ca 0.60 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 3dpb s ILE 98 Cb -0.44 -2.79 0.14 0.00 0.01 0.00 0.00 42.46 39.38 3dpb s ILE 98 CO 0.47 0.20 0.37 -0.55 0.00 0.00 0.00 174.94 175.43 3dpb s SER 99 N 1.46 5.34 0.81 3.58 0.15 -1.26 -0.45 113.70 123.33 3dpb s SER 99 Ca 0.03 -2.51 -0.11 0.00 0.70 0.00 0.00 55.95 54.05 3dpb s SER 99 Cb -0.16 -1.87 0.08 0.00 -1.71 0.00 0.00 66.02 62.35 3dpb s SER 99 CO -0.00 -0.46 1.09 -2.16 1.20 0.00 0.00 173.24 172.91 3dpb s PRO 100 N 0.44 1.93 0.40 5.44 0.04 -1.26 -4.78 135.00 137.21 3dpb s PRO 100 Ca 0.13 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.82 3dpb s PRO 100 Cb -0.21 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3dpb s PRO 100 CO -0.04 -1.79 1.15 0.15 0.04 0.00 0.00 177.00 176.51 3dpb s LYS 101 N -4.99 4.07 -0.13 4.56 -0.14 0.59 -4.73 119.74 118.98 3dpb s LYS 101 Ca 0.61 1.78 -0.01 0.00 -1.36 0.00 0.00 55.97 57.00 3dpb s LYS 101 Cb -0.16 -2.65 0.03 0.00 -1.68 0.00 0.00 37.83 33.36 3dpb s LYS 101 CO 0.56 -0.29 -0.05 0.08 -0.76 0.00 0.00 175.35 174.89 3dpb s VAL 102 N -1.45 0.95 -1.43 3.17 1.01 -0.34 -0.47 120.40 121.85 3dpb s VAL 102 Ca 0.57 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 3dpb s VAL 102 Cb -0.29 -1.06 0.10 0.00 0.00 0.00 0.00 36.38 35.13 3dpb s VAL 102 CO 0.37 0.25 0.63 0.59 0.00 0.00 0.00 175.10 176.93 3dpb n ASN 103 N 4.95 -3.65 0.00 3.32 3.02 0.24 -0.36 115.26 122.78 3dpb n ASN 103 Ca -0.11 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 3dpb n ASN 103 Cb 0.49 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.66 3dpb n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dpb n GLY 104 N -1.28 0.65 3.14 7.41 0.00 -1.26 -4.34 105.19 109.52 3dpb n GLY 104 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3dpb n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dpb s GLU 105 N -0.85 0.76 0.00 1.61 2.02 -1.01 -5.00 118.70 116.23 3dpb s GLU 105 Ca 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 53.79 3dpb s GLU 105 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.49 3dpb s GLU 105 CO 0.00 -0.19 0.00 0.09 0.02 0.00 0.00 175.26 175.18 3dpb n ASN 106 N 0.01 0.00 0.00 -0.19 5.03 -1.26 -1.20 115.26 117.65 3dpb n ASN 106 Ca -0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.33 3dpb n ASN 106 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.38 3dpb n ASN 106 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3dpb n LEU 107 N 0.00 0.00 -4.06 3.41 -0.00 -1.26 -4.67 117.00 110.41 3dpb n LEU 107 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.69 3dpb n LEU 107 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 3dpb n LEU 107 CO 0.00 0.00 -0.49 -0.62 -0.00 0.00 0.00 177.39 176.28 3dpb s ASP 111 N 0.00 3.32 -0.01 1.96 3.68 -1.26 -5.15 116.67 119.20 3dpb s ASP 111 Ca 0.00 -0.79 0.03 0.00 2.13 0.00 0.00 52.55 53.92 3dpb s ASP 111 Cb 0.00 -1.38 -0.01 0.00 -1.45 0.00 0.00 42.92 40.09 3dpb s ASP 111 CO 0.00 -0.07 -0.10 -0.69 0.13 0.00 0.00 175.17 174.44 3dpb s VAL 112 N 1.32 0.78 0.08 1.11 1.01 -1.26 -4.94 120.40 118.50 3dpb s VAL 112 Ca 0.01 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.27 3dpb s VAL 112 Cb -0.15 -0.65 -0.08 0.00 0.00 0.00 0.00 36.38 35.50 3dpb s VAL 112 CO -0.10 0.22 1.47 -0.69 0.00 0.00 0.00 175.10 176.00 3dpb s VAL 113 N -0.18 3.27 0.69 2.92 1.01 -1.26 -0.12 120.40 126.73 3dpb s VAL 113 Ca 0.03 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.69 3dpb s VAL 113 Cb -0.04 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.83 3dpb s VAL 113 CO -0.00 0.03 1.13 -0.76 0.00 0.00 0.00 175.10 175.50 3dpb s LEU 114 N 1.77 3.33 0.61 3.92 1.43 -0.35 -4.92 118.68 124.46 3dpb s LEU 114 Ca 0.67 2.08 -0.19 0.00 -1.03 0.00 0.00 54.13 55.66 3dpb s LEU 114 Cb -0.37 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.26 3dpb s LEU 114 CO 0.30 -1.86 1.18 0.00 0.23 0.00 0.00 176.35 176.19 3dpb n ALA 115 N -2.62 0.86 -1.76 4.21 0.00 -1.26 -4.87 120.51 115.07 3dpb n ALA 115 Ca 0.11 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 3dpb n ALA 115 Cb 0.52 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 3dpb n ALA 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dpb s THR 116 N -1.41 2.02 0.00 0.00 2.01 -1.26 -3.56 115.64 113.44 3dpb s THR 116 Ca 0.78 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.79 3dpb s THR 116 Cb -0.41 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.09 3dpb s THR 116 CO 0.45 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 3dpb n GLY 117 N 1.76 2.10 3.52 4.40 0.00 -1.26 -4.85 105.19 110.86 3dpb n GLY 117 Ca 0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 3dpb n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dpb s SER 118 N 0.00 -0.39 -0.10 1.61 1.04 -1.23 -2.22 113.70 112.39 3dpb s SER 118 Ca 0.00 0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.54 3dpb s SER 118 Cb 0.00 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.55 3dpb s SER 118 CO 0.00 -0.56 0.23 -1.58 0.98 0.00 0.00 173.24 172.31 3dpb s GLN 119 N -2.47 0.16 0.23 4.02 2.00 0.20 -4.59 119.66 119.21 3dpb s GLN 119 Ca 0.02 0.57 -0.30 0.00 -2.00 0.00 0.00 55.36 53.65 3dpb s GLN 119 Cb -0.01 -0.12 -0.09 0.00 0.80 0.00 0.00 33.01 33.59 3dpb s GLN 119 CO -0.05 -0.21 0.95 -0.51 -0.50 0.00 0.00 175.29 174.97 3dpb s ASP 120 N 1.63 7.62 -0.08 6.67 1.11 -1.26 -1.36 116.67 131.00 3dpb s ASP 120 Ca -0.06 1.95 -0.00 0.00 0.18 0.00 0.00 52.55 54.62 3dpb s ASP 120 Cb -0.11 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.29 3dpb s ASP 120 CO -0.08 0.13 -0.05 -0.36 1.18 0.00 0.00 175.17 175.99 3dpb s PHE 121 N -1.08 1.09 0.08 4.23 0.40 0.22 -4.28 117.98 118.64 3dpb s PHE 121 Ca 0.42 -0.44 -0.30 0.00 -0.60 0.00 0.00 56.93 56.01 3dpb s PHE 121 Cb -0.26 -0.98 -0.05 0.00 0.51 0.00 0.00 43.02 42.24 3dpb s PHE 121 CO 0.32 -0.37 0.98 -0.06 0.70 0.00 0.00 175.22 176.79 3dpb s PHE 122 N 1.55 3.74 -0.26 0.36 0.40 0.10 0.01 117.98 123.89 3dpb s PHE 122 Ca 0.00 1.74 -0.21 0.00 -0.60 0.00 0.00 56.93 57.86 3dpb s PHE 122 Cb -0.13 -3.10 -0.01 0.00 0.51 0.00 0.00 43.02 40.29 3dpb s PHE 122 CO -0.05 0.04 0.68 0.08 0.70 0.00 0.00 175.22 176.68 3dpb s VAL 123 N 0.30 4.94 -0.06 -0.44 1.01 -0.15 -1.25 120.40 124.76 3dpb s VAL 123 Ca 0.49 1.22 0.06 0.00 0.00 0.00 0.00 61.98 63.75 3dpb s VAL 123 Cb -0.23 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3dpb s VAL 123 CO 0.30 -0.02 -0.25 -0.13 0.00 0.00 0.00 175.10 175.00 3dpb s ARG 124 N 2.61 2.55 0.52 2.72 1.81 -0.43 -0.55 118.95 128.19 3dpb s ARG 124 Ca 0.28 -0.90 -0.21 0.00 -1.72 0.00 0.00 55.73 53.19 3dpb s ARG 124 Cb -0.15 -2.17 -0.06 0.00 -0.45 0.00 0.00 34.95 32.11 3dpb s ARG 124 CO 0.09 0.39 1.19 -1.54 -0.68 0.00 0.00 175.30 174.75 3dpb s SER 125 N -0.19 5.73 0.00 0.23 1.04 -0.60 -0.54 113.70 119.37 3dpb s SER 125 Ca -0.03 2.35 0.00 0.00 0.48 0.00 0.00 55.95 58.75 3dpb s SER 125 Cb -0.14 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3dpb s SER 125 CO 0.03 -1.22 0.00 -0.38 0.98 0.00 0.00 173.24 172.65 3dpb n ILE 126 N -1.00 0.00 0.00 -1.02 5.41 -0.45 -0.07 119.36 122.23 3dpb n ILE 126 Ca 0.10 0.17 0.00 0.00 1.00 0.00 0.00 62.75 64.02 3dpb n ILE 126 Cb 0.49 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 3dpb n ILE 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dpb n GLY 127 N 2.80 -0.11 3.74 7.39 0.00 -1.17 -3.86 105.19 113.98 3dpb n GLY 127 Ca 0.00 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 3dpb n GLY 127 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dpb s SER 128 N 0.00 4.55 0.34 1.61 0.15 -1.26 -1.06 113.70 118.02 3dpb s SER 128 Ca 0.00 2.32 0.21 0.00 0.70 0.00 0.00 55.95 59.19 3dpb s SER 128 Cb 0.00 -2.59 0.19 0.00 -1.71 0.00 0.00 66.02 61.91 3dpb s SER 128 CO 0.00 -2.02 1.40 0.11 1.20 0.00 0.00 173.24 173.92 3dpb h LYS 129 N 0.03 0.00 0.00 5.44 1.57 -0.94 -3.44 116.57 119.22 3dpb h LYS 129 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3dpb h LYS 129 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3dpb h LYS 129 CO 0.52 0.09 0.00 0.41 -0.57 0.00 0.00 179.45 179.89 3dpb n GLY 130 N 1.15 1.35 0.19 3.86 0.00 -1.26 -5.08 105.19 105.39 3dpb n GLY 130 Ca 0.02 0.47 0.02 0.00 0.00 0.00 0.00 46.02 46.54 3dpb n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpb n GLY 131 N 0.00 -1.71 3.77 -0.02 0.00 -1.26 -4.84 105.19 101.12 3dpb n GLY 131 Ca 0.00 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 3dpb n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpb s LYS 132 N -1.69 4.24 0.21 1.61 1.02 -1.26 -4.85 119.74 119.02 3dpb s LYS 132 Ca 0.00 1.82 -0.15 0.00 0.02 0.00 0.00 55.97 57.66 3dpb s LYS 132 Cb 0.00 -2.81 -0.08 0.00 -0.52 0.00 0.00 37.83 34.42 3dpb s LYS 132 CO 0.00 -0.16 0.63 -0.51 -0.92 0.00 0.00 175.35 174.40 3dpb s LEU 133 N -2.20 4.26 -0.09 3.17 1.43 -0.09 -5.03 118.68 120.12 3dpb s LEU 133 Ca 0.53 1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 54.66 3dpb s LEU 133 Cb -0.31 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.29 3dpb s LEU 133 CO 0.39 -0.00 0.40 0.00 0.23 0.00 0.00 176.35 177.36 3dpb s ALA 134 N -1.64 3.58 0.54 4.21 0.00 -1.26 -4.94 121.76 122.25 3dpb s ALA 134 Ca 0.44 -0.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.91 3dpb s ALA 134 Cb -0.14 -2.48 -0.06 0.00 0.00 0.00 0.00 23.12 20.44 3dpb s ALA 134 CO 0.20 0.19 1.15 0.00 0.00 0.00 0.00 175.76 177.29 3dpb n ALA 135 N 3.05 0.82 0.00 0.00 0.00 -1.26 -4.91 120.51 118.21 3dpb n ALA 135 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dpb n ALA 135 Cb 0.52 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3dpb n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dpb n GLY 136 N 1.03 -0.28 3.83 0.00 0.00 -1.26 -5.11 105.19 103.39 3dpb n GLY 136 Ca 0.11 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 3dpb n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpb s LYS 137 N -2.00 3.76 -0.01 1.61 -0.14 -1.26 -5.08 119.74 116.61 3dpb s LYS 137 Ca 0.00 -0.03 0.07 0.00 -1.36 0.00 0.00 55.97 54.66 3dpb s LYS 137 Cb 0.00 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.86 3dpb s LYS 137 CO 0.00 0.61 -0.23 0.71 -0.76 0.00 0.00 175.35 175.68 3dpb s TYR 138 N -0.60 2.41 0.27 3.18 1.51 -1.26 -3.40 117.35 119.46 3dpb s TYR 138 Ca 0.15 -0.37 0.11 0.00 -1.01 0.00 0.00 57.07 55.95 3dpb s TYR 138 Cb -0.13 -1.51 -0.05 0.00 -0.11 0.00 0.00 41.96 40.16 3dpb s TYR 138 CO 0.04 0.04 -0.18 0.95 -1.11 0.00 0.00 175.55 175.30 3dpb s THR 139 N -0.67 2.29 -0.10 -0.71 -4.23 -0.58 -4.86 115.64 106.77 3dpb s THR 139 Ca 0.11 -2.35 -0.05 0.00 -1.18 0.00 0.00 61.69 58.22 3dpb s THR 139 Cb -0.10 -2.27 0.05 0.00 1.34 0.00 0.00 72.50 71.52 3dpb s THR 139 CO -0.00 -0.43 0.22 -0.62 -0.54 0.00 0.00 174.62 173.26 3dpb s ASP 140 N -3.47 -0.06 -0.50 3.99 2.15 -1.26 -2.30 116.67 115.22 3dpb s ASP 140 Ca 0.29 0.48 -0.26 0.00 0.43 0.00 0.00 52.55 53.48 3dpb s ASP 140 Cb -0.03 0.40 0.03 0.00 -0.30 0.00 0.00 42.92 43.02 3dpb s ASP 140 CO 0.13 -0.18 1.00 0.00 -0.17 0.00 0.00 175.17 175.95 3dpb s ALA 141 N 1.51 3.17 -0.14 3.66 0.00 -1.26 -5.03 121.76 123.67 3dpb s ALA 141 Ca -0.07 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 3dpb s ALA 141 Cb -0.11 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 3dpb s ALA 141 CO -0.08 -2.24 0.05 0.08 0.00 0.00 0.00 175.76 173.57 3dpb s VAL 142 N 4.08 4.73 -0.01 0.00 1.01 -1.26 -4.30 120.40 124.66 3dpb s VAL 142 Ca 0.38 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.36 3dpb s VAL 142 Cb -0.10 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 3dpb s VAL 142 CO 0.26 0.54 -0.22 -0.89 0.00 0.00 0.00 175.10 174.79 3dpb s THR 143 N -0.33 2.43 -0.10 3.92 2.01 0.45 -4.98 115.64 119.05 3dpb s THR 143 Ca 0.08 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.05 3dpb s THR 143 Cb -0.12 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 3dpb s THR 143 CO 0.02 0.53 -0.14 0.54 -0.69 0.00 0.00 174.62 174.88 3dpb s VAL 144 N -0.71 3.04 -0.18 3.82 0.11 -1.26 0.13 120.40 125.36 3dpb s VAL 144 Ca 0.11 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 3dpb s VAL 144 Cb -0.10 -2.24 0.00 0.00 -1.53 0.00 0.00 36.38 32.51 3dpb s VAL 144 CO 0.01 0.55 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.30 3dpb s THR 145 N -0.07 2.71 -0.28 5.04 2.01 0.33 -4.98 115.64 120.40 3dpb s THR 145 Ca -0.02 -0.73 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 3dpb s THR 145 Cb -0.14 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 3dpb s THR 145 CO 0.04 0.50 0.09 -0.69 -0.69 0.00 0.00 174.62 173.86 3dpb s VAL 146 N 1.11 4.22 0.76 3.82 1.01 -1.26 -1.57 120.40 128.49 3dpb s VAL 146 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 3dpb s VAL 146 Cb -0.14 -3.08 0.14 0.00 0.00 0.00 0.00 36.38 33.29 3dpb s VAL 146 CO -0.04 0.19 1.04 -0.44 0.00 0.00 0.00 175.10 175.85 3dpb s SER 147 N 1.57 4.16 -1.49 3.32 0.01 0.44 -4.55 113.70 117.16 3dpb s SER 147 Ca 0.05 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 3dpb s SER 147 Cb -0.16 -0.00 0.08 0.00 0.21 0.00 0.00 66.02 66.15 3dpb s SER 147 CO 0.04 -2.00 0.81 0.59 0.41 0.00 0.00 173.24 173.08 3dpb n ASN 148 N -2.96 -4.55 -0.79 2.44 3.02 -1.26 -4.88 115.26 106.27 3dpb n ASN 148 Ca 0.15 -0.65 0.13 0.00 -0.03 0.00 0.00 54.58 54.18 3dpb n ASN 148 Cb 0.60 -3.67 0.25 0.00 -0.61 0.00 0.00 39.78 36.35 3dpb n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64