#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bdi s ILE 17 N 0.00 4.92 -1.24 1.39 -1.09 0.20 -4.04 121.20 121.34 2bdi s ILE 17 Ca 0.00 0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.42 2bdi s ILE 17 Cb 0.00 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 2bdi s ILE 17 CO 0.00 0.38 1.05 0.59 -1.23 0.00 0.00 174.94 175.73 2bdi n ASN 18 N 4.21 -3.37 0.00 3.58 5.03 -1.26 -2.08 115.26 121.37 2bdi n ASN 18 Ca -0.16 -0.59 0.00 0.00 0.87 0.00 0.00 54.58 54.70 2bdi n ASN 18 Cb 0.52 -5.07 0.00 0.00 -1.02 0.00 0.00 39.78 34.21 2bdi n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bdi n GLY 19 N -1.40 7.78 3.29 7.41 0.00 -1.26 -4.81 105.19 116.20 2bdi n GLY 19 Ca -0.20 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.71 2bdi n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bdi s GLU 20 N 1.02 1.11 -0.06 1.61 2.02 -0.62 -4.94 118.70 118.85 2bdi s GLU 20 Ca 0.00 -1.27 -0.34 0.00 0.02 0.00 0.00 54.97 53.38 2bdi s GLU 20 Cb 0.00 0.34 -0.12 0.00 0.10 0.00 0.00 34.13 34.45 2bdi s GLU 20 CO 0.00 -0.39 1.85 -0.25 0.02 0.00 0.00 175.26 176.50 2bdi n ASP 21 N -0.19 3.43 -4.72 -0.19 9.92 -1.26 -0.83 116.55 122.71 2bdi n ASP 21 Ca -0.06 0.98 -0.34 0.00 -0.53 0.00 0.00 54.79 54.84 2bdi n ASP 21 Cb 0.63 -1.38 0.10 0.00 -0.64 0.00 0.00 41.12 39.83 2bdi n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bdi s SER 23 N -2.01 6.61 -0.45 0.00 0.15 -1.26 -4.83 113.70 111.91 2bdi s SER 23 Ca 0.75 2.19 -0.42 0.00 0.70 0.00 0.00 55.95 59.17 2bdi s SER 23 Cb -0.30 -2.53 -0.18 0.00 -1.71 0.00 0.00 66.02 61.30 2bdi s SER 23 CO 0.46 -0.98 1.45 -2.65 1.20 0.00 0.00 173.24 172.72 2bdi n PRO 24 N 7.22 0.00 -1.52 5.44 -0.02 -1.26 0.90 135.00 145.76 2bdi n PRO 24 Ca 0.18 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.54 2bdi n PRO 24 Cb 0.43 -1.34 -0.04 0.00 -0.02 0.00 0.00 33.50 32.52 2bdi n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2bdi n HIS 25 N 3.69 -0.11 0.58 6.00 8.25 -1.26 -4.89 115.22 127.47 2bdi n HIS 25 Ca 0.28 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.87 2bdi n HIS 25 Cb -0.05 -2.28 0.45 0.00 1.12 0.00 0.00 29.99 29.23 2bdi n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2bdi n SER 26 N 0.03 0.60 -3.31 0.41 3.41 0.26 -3.96 113.62 111.06 2bdi n SER 26 Ca -0.12 0.59 -0.26 0.00 -0.26 0.00 0.00 58.87 58.82 2bdi n SER 26 Cb 0.43 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.56 2bdi n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bdi n GLN 27 N -2.10 1.66 0.00 4.33 1.13 -1.26 -4.97 117.38 116.17 2bdi n GLN 27 Ca 0.04 -3.98 0.01 0.00 -1.94 0.00 0.00 57.00 51.13 2bdi n GLN 27 Cb 0.33 -1.76 0.04 0.00 0.11 0.00 0.00 30.24 28.96 2bdi n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2bdi n PRO 28 N 1.12 0.01 0.00 -1.09 -0.04 -1.25 -1.47 135.00 132.27 2bdi n PRO 28 Ca 0.26 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 2bdi n PRO 28 Cb 0.47 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.66 2bdi n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2bdi n TRP 29 N -1.42 0.00 -2.01 0.54 2.14 -1.04 -1.99 117.44 113.65 2bdi n TRP 29 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2bdi n TRP 29 Cb 0.02 -0.15 -0.03 0.00 -0.81 0.00 0.00 31.31 30.34 2bdi n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2bdi s GLN 30 N -2.77 4.24 -0.13 -2.67 2.00 -0.54 -0.84 119.66 118.94 2bdi s GLN 30 Ca 0.16 2.25 0.01 0.00 -2.00 0.00 0.00 55.36 55.78 2bdi s GLN 30 Cb 0.18 -3.38 -0.01 0.00 0.80 0.00 0.00 33.01 30.60 2bdi s GLN 30 CO 0.64 -0.62 -0.16 0.00 -0.50 0.00 0.00 175.29 174.66 2bdi s ALA 31 N 1.82 2.49 -0.09 1.58 0.00 0.21 -4.31 121.76 123.46 2bdi s ALA 31 Ca 0.70 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 2bdi s ALA 31 Cb -0.40 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 2bdi s ALA 31 CO 0.31 0.17 0.26 0.00 0.00 0.00 0.00 175.76 176.50 2bdi s ALA 32 N 0.49 3.75 -0.29 0.00 0.00 -0.48 0.60 121.76 125.84 2bdi s ALA 32 Ca -0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 2bdi s ALA 32 Cb -0.16 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.79 2bdi s ALA 32 CO 0.05 0.45 0.01 -0.51 0.00 0.00 0.00 175.76 175.75 2bdi s LEU 33 N -0.70 3.71 0.06 0.00 1.02 -0.48 -0.62 118.68 121.66 2bdi s LEU 33 Ca 0.18 -1.02 0.07 0.00 0.02 0.00 0.00 54.13 53.38 2bdi s LEU 33 Cb -0.14 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 2bdi s LEU 33 CO 0.07 -0.21 -0.15 0.68 0.02 0.00 0.00 176.35 176.76 2bdi s VAL 34 N 1.34 3.03 0.00 -1.59 -7.23 -1.14 -1.31 120.40 113.50 2bdi s VAL 34 Ca -0.02 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2bdi s VAL 34 Cb -0.18 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2bdi s VAL 34 CO -0.01 0.26 0.00 0.23 -0.31 0.00 0.00 175.10 175.27 2bdi n MET 35 N 1.25 3.81 -0.24 4.82 2.81 0.88 -3.80 117.12 126.65 2bdi n MET 35 Ca -0.15 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.68 2bdi n MET 35 Cb 0.52 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.99 2bdi n MET 35 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2bdi n GLU 36 N 0.00 -0.23 -0.47 0.03 4.71 -1.26 -3.60 120.64 119.82 2bdi n GLU 36 Ca 0.00 0.86 0.00 0.00 -0.01 0.00 0.00 57.16 58.01 2bdi n GLU 36 Cb 0.00 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 2bdi n GLU 36 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2bdi n ASN 37 N -4.73 0.00 -4.14 1.62 4.13 -1.26 -5.13 115.26 105.75 2bdi n ASN 37 Ca 0.02 -1.14 -0.09 0.00 1.68 0.00 0.00 54.58 55.05 2bdi n ASN 37 Cb 0.16 -0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.27 2bdi n ASN 37 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2bdi s GLU 38 N 0.00 0.75 0.04 3.52 2.12 -1.24 -5.12 118.70 118.77 2bdi s GLU 38 Ca 0.00 -1.30 -0.26 0.00 0.36 0.00 0.00 54.97 53.77 2bdi s GLU 38 Cb 0.00 -0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.32 2bdi s GLU 38 CO 0.00 -0.07 0.81 -1.17 -0.54 0.00 0.00 175.26 174.29 2bdi s LEU 40 N -3.00 4.44 0.00 2.70 1.98 -1.26 -0.09 118.68 123.45 2bdi s LEU 40 Ca 0.11 1.50 0.00 0.00 -2.89 0.00 0.00 54.13 52.85 2bdi s LEU 40 Cb 0.07 -3.31 0.00 0.00 0.66 0.00 0.00 46.19 43.61 2bdi s LEU 40 CO -0.07 -0.04 0.00 2.22 -1.89 0.00 0.00 176.35 176.57 2bdi n PHE 41 N 3.02 0.00 -3.65 5.38 -1.74 -0.42 -4.94 117.46 115.10 2bdi n PHE 41 Ca -0.01 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.87 2bdi n PHE 41 Cb 0.50 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.51 2bdi n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2bdi s SER 43 N -2.04 0.37 0.30 0.00 0.01 -0.59 -1.39 113.70 110.36 2bdi s SER 43 Ca 0.10 -1.44 -0.07 0.00 1.31 0.00 0.00 55.95 55.85 2bdi s SER 43 Cb -0.01 0.40 -0.00 0.00 0.21 0.00 0.00 66.02 66.62 2bdi s SER 43 CO 0.02 -0.87 0.47 -0.83 0.41 0.00 0.00 173.24 172.44 2bdi s GLY 44 N -3.19 1.07 -0.08 3.44 0.00 0.20 -4.09 107.32 104.67 2bdi s GLY 44 Ca 0.39 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.87 2bdi s GLY 44 CO 0.14 -0.86 -0.12 0.14 0.00 0.00 0.00 173.10 172.41 2bdi s VAL 45 N -3.45 1.17 -0.55 1.40 1.01 0.29 -0.62 120.40 119.65 2bdi s VAL 45 Ca 0.27 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 2bdi s VAL 45 Cb -0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 2bdi s VAL 45 CO 0.15 0.37 1.75 -0.22 0.00 0.00 0.00 175.10 177.15 2bdi s LEU 46 N 0.89 3.35 0.00 3.92 2.96 -0.02 0.15 118.68 129.93 2bdi s LEU 46 Ca -0.10 0.50 0.20 0.00 -0.22 0.00 0.00 54.13 54.50 2bdi s LEU 46 Cb -0.15 -2.83 0.34 0.00 0.50 0.00 0.00 46.19 44.05 2bdi s LEU 46 CO 0.01 -2.10 1.28 1.33 -1.32 0.00 0.00 176.35 175.55 2bdi n VAL 47 N 7.16 0.46 -3.57 1.68 0.24 -0.94 -1.47 118.33 121.89 2bdi n VAL 47 Ca 0.19 -0.73 -0.06 0.00 -2.04 0.00 0.00 64.34 61.70 2bdi n VAL 47 Cb 0.50 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 2bdi n VAL 47 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2bdi s HIS 48 N -1.36 -0.23 0.40 6.34 5.65 -1.19 -4.74 115.29 120.16 2bdi s HIS 48 Ca 0.32 0.22 0.13 0.00 0.25 0.00 0.00 55.06 55.98 2bdi s HIS 48 Cb 0.19 0.51 0.97 0.00 -1.18 0.00 0.00 32.58 33.07 2bdi s HIS 48 CO 0.26 -0.31 1.90 -1.35 -0.65 0.00 0.00 174.74 174.59 2bdi h PRO 49 N 2.11 0.50 -0.11 2.88 0.11 -1.92 -2.69 132.00 132.87 2bdi h PRO 49 Ca -0.14 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 2bdi h PRO 49 Cb 1.19 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2bdi h PRO 49 CO 0.26 0.33 -0.08 0.94 -0.21 0.00 0.00 178.00 179.25 2bdi n GLN 50 N -4.51 1.84 -3.75 1.05 7.27 -1.26 -1.51 117.38 116.51 2bdi n GLN 50 Ca 0.16 -2.83 -0.14 0.00 0.07 0.00 0.00 57.00 54.26 2bdi n GLN 50 Cb 0.52 -1.65 -0.15 0.00 2.41 0.00 0.00 30.24 31.37 2bdi n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2bdi s TRP 51 N -2.96 -0.11 -0.19 3.69 0.52 -1.01 -1.49 118.94 117.39 2bdi s TRP 51 Ca 0.37 0.38 -0.02 0.00 0.02 0.00 0.00 56.10 56.85 2bdi s TRP 51 Cb 0.33 -0.13 -0.01 0.00 -1.15 0.00 0.00 33.47 32.51 2bdi s TRP 51 CO 0.03 -0.15 -0.09 0.08 0.02 0.00 0.00 176.95 176.85 2bdi s VAL 52 N 1.15 3.10 0.19 4.03 1.01 0.44 -2.21 120.40 128.12 2bdi s VAL 52 Ca -0.09 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 2bdi s VAL 52 Cb -0.12 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.81 2bdi s VAL 52 CO -0.05 0.47 0.71 -0.22 0.00 0.00 0.00 175.10 176.00 2bdi s LEU 53 N 1.17 4.41 0.00 3.92 2.96 0.12 -0.18 118.68 131.08 2bdi s LEU 53 Ca 0.02 1.42 -0.10 0.00 -0.22 0.00 0.00 54.13 55.25 2bdi s LEU 53 Cb -0.14 -3.44 0.04 0.00 0.50 0.00 0.00 46.19 43.14 2bdi s LEU 53 CO -0.03 0.09 0.53 -0.24 -1.32 0.00 0.00 176.35 175.39 2bdi n SER 54 N 0.99 -1.49 -4.72 3.68 2.88 0.41 0.10 113.62 115.47 2bdi n SER 54 Ca -0.04 -2.02 -0.40 0.00 -1.33 0.00 0.00 58.87 55.08 2bdi n SER 54 Cb 0.51 2.48 -0.05 0.00 -0.75 0.00 0.00 64.21 66.40 2bdi n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bdi s ALA 55 N -1.71 3.32 0.45 -1.46 0.00 -1.26 0.51 121.76 121.61 2bdi s ALA 55 Ca 0.11 0.23 0.20 0.00 0.00 0.00 0.00 51.96 52.50 2bdi s ALA 55 Cb -0.03 -3.01 1.17 0.00 0.00 0.00 0.00 23.12 21.25 2bdi s ALA 55 CO 0.08 -0.07 1.89 0.00 0.00 0.00 0.00 175.76 177.65 2bdi h ALA 56 N 6.46 2.32 0.00 0.00 0.00 -1.62 0.65 119.26 127.07 2bdi h ALA 56 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2bdi h ALA 56 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2bdi h ALA 56 CO 0.74 -0.57 0.00 -2.39 0.00 0.00 0.00 179.25 177.03 2bdi n HIS 57 N -4.45 0.00 0.15 0.00 1.44 -1.26 -2.17 115.22 108.93 2bdi n HIS 57 Ca 0.17 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.93 2bdi n HIS 57 Cb 0.70 -0.06 0.08 0.00 0.12 0.00 0.00 29.99 30.82 2bdi n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bdi n PHE 59 N 0.44 1.96 -4.13 0.00 7.35 -0.92 -5.01 117.46 117.15 2bdi n PHE 59 Ca 0.07 0.58 -0.13 0.00 -0.76 0.00 0.00 57.45 57.20 2bdi n PHE 59 Cb 0.30 -2.36 -0.06 0.00 0.35 0.00 0.00 39.48 37.71 2bdi n PHE 59 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2bdi s GLN 60 N -1.87 1.62 0.05 -4.13 -1.52 -1.26 -5.05 119.66 107.51 2bdi s GLN 60 Ca 0.57 -1.65 0.12 0.00 -1.95 0.00 0.00 55.36 52.46 2bdi s GLN 60 Cb -0.59 0.39 -0.17 0.00 -0.22 0.00 0.00 33.01 32.42 2bdi s GLN 60 CO 0.61 -0.63 0.93 -0.91 -0.25 0.00 0.00 175.29 175.03 2bdi h ASN 61 N 2.28 0.00 -4.10 5.90 2.35 -1.96 -3.46 115.58 116.59 2bdi h ASN 61 Ca -0.29 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.34 2bdi h ASN 61 Cb 1.24 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.38 2bdi h ASN 61 CO 0.41 0.85 -0.24 -0.94 -1.65 0.00 0.00 177.43 175.87 2bdi s SER 62 N -6.21 -0.39 0.27 5.81 1.04 -1.26 -4.61 113.70 108.36 2bdi s SER 62 Ca -0.02 0.68 0.12 0.00 0.48 0.00 0.00 55.95 57.21 2bdi s SER 62 Cb 0.09 0.72 -0.05 0.00 0.10 0.00 0.00 66.02 66.88 2bdi s SER 62 CO 0.81 -0.21 -0.19 -0.31 0.98 0.00 0.00 173.24 174.33 2bdi s TYR 63 N -0.09 2.32 -0.56 5.02 1.51 -0.16 -5.01 117.35 120.38 2bdi s TYR 63 Ca -0.03 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2bdi s TYR 63 Cb -0.03 -1.02 0.15 0.00 -0.11 0.00 0.00 41.96 40.95 2bdi s TYR 63 CO 0.01 0.69 0.34 0.99 -1.11 0.00 0.00 175.55 176.48 2bdi s THR 64 N -2.42 2.27 0.07 -0.71 2.01 -1.25 -2.64 115.64 112.97 2bdi s THR 64 Ca 0.29 -3.44 -0.30 0.00 0.31 0.00 0.00 61.69 58.55 2bdi s THR 64 Cb -0.05 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 2bdi s THR 64 CO 0.15 -0.92 1.02 -0.63 -0.69 0.00 0.00 174.62 173.54 2bdi s ILE 65 N -0.53 4.51 -0.25 1.82 1.01 -1.03 -2.90 121.20 123.83 2bdi s ILE 65 Ca 0.21 1.94 -0.06 0.00 0.00 0.00 0.00 60.65 62.74 2bdi s ILE 65 Cb -0.16 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 2bdi s ILE 65 CO -0.07 0.22 0.03 -0.83 0.00 0.00 0.00 174.94 174.29 2bdi s GLY 66 N 0.52 1.71 0.23 6.18 0.00 0.21 -1.53 107.32 114.64 2bdi s GLY 66 Ca 0.51 -1.24 0.07 0.00 0.00 0.00 0.00 44.72 44.06 2bdi s GLY 66 CO 0.30 0.53 0.18 1.08 0.00 0.00 0.00 173.10 175.19 2bdi s LEU 67 N 1.53 3.81 -1.65 0.66 1.43 -0.38 -1.38 118.68 122.69 2bdi s LEU 67 Ca 0.05 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2bdi s LEU 67 Cb -0.15 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2bdi s LEU 67 CO 0.01 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.18 2bdi n GLY 69 N -0.99 1.56 3.95 -3.19 0.00 -1.26 -1.81 105.19 103.45 2bdi n GLY 69 Ca -0.08 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 2bdi n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bdi s LEU 70 N -3.54 2.91 0.00 0.99 1.43 -1.26 -4.11 118.68 115.10 2bdi s LEU 70 Ca 0.00 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2bdi s LEU 70 Cb 0.00 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2bdi s LEU 70 CO 0.00 -1.78 0.00 1.57 0.23 0.00 0.00 176.35 176.37 2bdi n HIS 71 N -2.95 -0.43 -4.24 0.29 -0.00 -1.26 -4.65 115.22 101.98 2bdi n HIS 71 Ca 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.57 2bdi n HIS 71 Cb 0.60 0.21 -0.08 0.00 -0.00 0.00 0.00 29.99 30.72 2bdi n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2bdi s SER 72 N -2.82 4.66 0.56 0.26 1.04 -1.26 -1.34 113.70 114.80 2bdi s SER 72 Ca 0.00 -0.48 0.34 0.00 0.48 0.00 0.00 55.95 56.28 2bdi s SER 72 Cb 0.00 -0.94 1.54 0.00 0.10 0.00 0.00 66.02 66.72 2bdi s SER 72 CO 0.00 0.06 2.06 -0.07 0.98 0.00 0.00 173.24 176.27 2bdi h LEU 73 N 2.48 0.00 -7.66 2.42 3.38 -1.95 -3.38 115.31 110.60 2bdi h LEU 73 Ca -0.46 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.20 2bdi h LEU 73 Cb 1.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.98 2bdi h LEU 73 CO 0.58 0.04 0.97 -0.62 0.09 0.00 0.00 178.44 179.51 2bdi n GLU 74 N -3.20 0.94 -0.32 1.13 -0.58 -1.26 -4.81 120.64 112.55 2bdi n GLU 74 Ca -0.01 -1.97 0.20 0.00 -0.42 0.00 0.00 57.16 54.96 2bdi n GLU 74 Cb 0.26 -3.53 0.40 0.00 -0.57 0.00 0.00 31.44 28.00 2bdi n GLU 74 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bdi h ALA 74 N 10.06 1.61 -0.19 0.62 0.00 -1.95 -1.33 119.26 128.07 2bdi h ALA 74 Ca 0.19 0.24 -0.26 0.00 0.00 0.00 0.00 54.91 55.08 2bdi h ALA 74 Cb 0.89 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2bdi h ALA 74 CO 1.37 -0.60 -0.04 -0.40 0.00 0.00 0.00 179.25 179.58 2bdi n ASP 75 N -5.23 5.72 0.00 0.00 5.75 -1.26 -2.05 116.55 119.48 2bdi n ASP 75 Ca 0.28 -2.73 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 2bdi n ASP 75 Cb 0.89 -1.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 2bdi n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bdi n GLN 76 N 1.69 0.00 -3.97 0.11 6.02 -0.50 -5.05 117.38 115.67 2bdi n GLN 76 Ca 0.37 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 57.05 2bdi n GLN 76 Cb 0.72 -0.15 -0.16 0.00 1.02 0.00 0.00 30.24 31.68 2bdi n GLN 76 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2bdi s GLU 77 N 0.00 1.92 0.00 -1.09 0.41 -0.87 -5.02 118.70 114.05 2bdi s GLU 77 Ca 0.00 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.83 2bdi s GLU 77 Cb 0.00 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 2bdi s GLU 77 CO 0.00 -0.41 0.00 -2.30 -0.49 0.00 0.00 175.26 172.06 2bdi n PRO 78 N 4.74 0.00 0.00 0.39 -0.02 -1.26 -2.81 135.00 136.04 2bdi n PRO 78 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2bdi n PRO 78 Cb 0.47 -0.15 0.00 0.00 -0.02 0.00 0.00 33.50 33.80 2bdi n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bdi n GLY 79 N 0.00 0.00 3.76 -1.23 0.00 -1.26 -4.74 105.19 101.71 2bdi n GLY 79 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2bdi n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bdi s SER 80 N -1.46 5.44 -0.14 1.61 1.04 -1.12 -4.74 113.70 114.33 2bdi s SER 80 Ca 0.00 2.52 -0.04 0.00 0.48 0.00 0.00 55.95 58.91 2bdi s SER 80 Cb 0.00 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.56 2bdi s SER 80 CO 0.00 -1.43 0.11 -1.10 0.98 0.00 0.00 173.24 171.80 2bdi s GLN 81 N -3.01 0.04 -1.26 4.02 -0.21 -0.75 -4.99 119.66 113.49 2bdi s GLN 81 Ca 0.72 0.14 -0.13 0.00 0.02 0.00 0.00 55.36 56.10 2bdi s GLN 81 Cb -0.34 -1.27 0.14 0.00 1.00 0.00 0.00 33.01 32.54 2bdi s GLN 81 CO 0.39 -0.55 1.66 -1.33 -2.12 0.00 0.00 175.29 173.34 2bdi n MET 82 N 5.30 3.36 -1.49 2.91 2.81 -1.26 -1.25 117.12 127.49 2bdi n MET 82 Ca -0.06 -3.57 -0.30 0.00 -1.81 0.00 0.00 57.70 51.97 2bdi n MET 82 Cb 0.49 -3.12 0.21 0.00 -0.71 0.00 0.00 33.22 30.09 2bdi n MET 82 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2bdi s VAL 83 N 1.92 1.81 0.11 2.03 -7.23 -0.58 -4.89 120.40 113.58 2bdi s VAL 83 Ca 0.45 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.66 2bdi s VAL 83 Cb 0.03 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 2bdi s VAL 83 CO 0.01 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.08 2bdi s GLU 84 N -5.60 0.94 0.17 4.82 2.02 -1.26 -2.47 118.70 117.32 2bdi s GLU 84 Ca 0.71 -1.23 -0.23 0.00 0.02 0.00 0.00 54.97 54.24 2bdi s GLU 84 Cb -0.08 -0.67 0.06 0.00 0.10 0.00 0.00 34.13 33.54 2bdi s GLU 84 CO 0.54 0.11 0.60 0.00 0.02 0.00 0.00 175.26 176.54 2bdi s ALA 85 N -2.49 -1.54 0.00 5.21 0.00 -1.08 -1.04 121.76 120.82 2bdi s ALA 85 Ca 0.08 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2bdi s ALA 85 Cb -0.03 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.97 2bdi s ALA 85 CO 0.01 -0.79 0.00 -1.13 0.00 0.00 0.00 175.76 173.85 2bdi n SER 86 N -0.38 0.00 -4.57 0.00 3.41 -1.26 -0.99 113.62 109.83 2bdi n SER 86 Ca -0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.03 2bdi n SER 86 Cb 0.64 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 2bdi n SER 86 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2bdi s LEU 87 N 0.00 4.07 0.04 1.04 0.20 -1.26 -4.68 118.68 118.09 2bdi s LEU 87 Ca 0.00 0.20 0.08 0.00 0.69 0.00 0.00 54.13 55.11 2bdi s LEU 87 Cb 0.00 -3.13 -0.03 0.00 -0.43 0.00 0.00 46.19 42.60 2bdi s LEU 87 CO 0.00 -0.93 -0.23 -0.94 -0.29 0.00 0.00 176.35 173.96 2bdi s SER 88 N 2.09 3.43 -0.26 3.68 1.04 -1.26 -0.67 113.70 121.75 2bdi s SER 88 Ca 0.35 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.28 2bdi s SER 88 Cb -0.11 -0.43 0.07 0.00 0.10 0.00 0.00 66.02 65.65 2bdi s SER 88 CO 0.22 0.26 -0.02 -0.69 0.98 0.00 0.00 173.24 173.99 2bdi s VAL 89 N -0.84 1.56 0.48 5.02 1.01 1.00 -4.98 120.40 123.65 2bdi s VAL 89 Ca 0.13 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.53 2bdi s VAL 89 Cb -0.10 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 2bdi s VAL 89 CO 0.03 -0.23 0.97 -0.13 0.00 0.00 0.00 175.10 175.73 2bdi s ARG 90 N 1.35 4.05 0.23 2.72 0.52 -1.26 -1.39 118.95 125.16 2bdi s ARG 90 Ca -0.02 1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 55.90 2bdi s ARG 90 Cb -0.19 -2.16 -0.09 0.00 0.52 0.00 0.00 34.95 33.03 2bdi s ARG 90 CO -0.09 -0.18 1.36 -1.58 0.02 0.00 0.00 175.30 174.83 2bdi s HIS 91 N -2.46 3.16 0.25 -0.53 5.65 -0.87 -4.90 115.29 115.58 2bdi s HIS 91 Ca 0.60 1.16 -0.07 0.00 0.25 0.00 0.00 55.06 57.00 2bdi s HIS 91 Cb -0.10 -3.69 0.40 0.00 -1.18 0.00 0.00 32.58 28.02 2bdi s HIS 91 CO 0.25 -2.16 1.37 -2.30 -0.65 0.00 0.00 174.74 171.25 2bdi n PRO 92 N 2.41 -0.08 -0.33 2.88 -0.02 -1.26 -0.62 135.00 137.98 2bdi n PRO 92 Ca 0.06 1.37 0.05 0.00 -2.02 0.00 0.00 63.50 62.96 2bdi n PRO 92 Cb 0.42 -2.05 0.18 0.00 -0.02 0.00 0.00 33.50 32.03 2bdi n PRO 92 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2bdi n GLU 93 N -5.43 2.45 -1.66 -0.52 -0.58 -1.26 -4.98 120.64 108.66 2bdi n GLU 93 Ca 0.14 -1.46 -0.40 0.00 -0.42 0.00 0.00 57.16 55.02 2bdi n GLU 93 Cb 0.44 -1.61 0.02 0.00 -0.57 0.00 0.00 31.44 29.72 2bdi n GLU 93 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2bdi n TYR 94 N 0.43 1.57 -1.32 -0.32 9.36 0.21 -1.90 117.16 125.20 2bdi n TYR 94 Ca 0.13 0.50 -0.12 0.00 3.32 0.00 0.00 57.90 61.73 2bdi n TYR 94 Cb 0.54 -2.28 -0.05 0.00 -0.63 0.00 0.00 39.34 36.91 2bdi n TYR 94 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2bdi n ASN 95 N 0.04 -5.07 -3.71 2.98 2.85 0.01 -4.93 115.26 107.43 2bdi n ASN 95 Ca 0.09 0.31 -0.30 0.00 -0.11 0.00 0.00 54.58 54.57 2bdi n ASN 95 Cb 0.41 -3.98 -0.15 0.00 1.24 0.00 0.00 39.78 37.30 2bdi n ASN 95 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2bdi s ARG 96 N -2.97 0.76 1.00 1.20 1.81 -0.80 -2.87 118.95 117.08 2bdi s ARG 96 Ca 0.00 -1.20 -0.13 0.00 -1.72 0.00 0.00 55.73 52.69 2bdi s ARG 96 Cb 0.00 -1.97 0.19 0.00 -0.45 0.00 0.00 34.95 32.71 2bdi s ARG 96 CO 0.00 -1.02 1.11 -2.14 -0.68 0.00 0.00 175.30 172.56 2bdi s PRO 97 N 1.43 0.45 -0.10 3.54 0.02 -1.26 -4.86 135.00 134.21 2bdi s PRO 97 Ca 0.11 0.41 -0.40 0.00 0.02 0.00 0.00 61.00 61.14 2bdi s PRO 97 Cb -0.18 -1.75 -0.18 0.00 0.02 0.00 0.00 34.50 32.41 2bdi s PRO 97 CO -0.21 -2.69 1.39 -0.11 -0.33 0.00 0.00 177.00 175.05 2bdi n LEU 98 N -4.13 1.27 0.00 -5.54 7.94 -1.14 -0.17 117.00 115.23 2bdi n LEU 98 Ca 0.06 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 2bdi n LEU 98 Cb 0.58 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.47 2bdi n LEU 98 CO 0.57 -1.13 0.00 0.18 -1.11 0.00 0.00 177.39 175.90 2bdi n LEU 99 N 3.06 0.00 -4.81 -1.96 4.77 -1.26 -4.95 117.00 111.85 2bdi n LEU 99 Ca 0.22 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.91 2bdi n LEU 99 Cb 0.11 -0.05 0.15 0.00 -2.33 0.00 0.00 43.42 41.30 2bdi n LEU 99 CO 0.70 0.00 0.75 0.00 -1.33 0.00 0.00 177.39 177.51 2bdi s ALA 100 N -2.04 1.84 -1.54 -1.18 0.00 0.76 -4.12 121.76 115.48 2bdi s ALA 100 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 2bdi s ALA 100 Cb 0.00 -2.95 0.04 0.00 0.00 0.00 0.00 23.12 20.21 2bdi s ALA 100 CO 0.00 -2.39 0.35 0.09 0.00 0.00 0.00 175.76 173.80 2bdi n ASN 101 N -3.83 -0.45 -2.31 0.00 4.13 -1.26 -0.81 115.26 110.73 2bdi n ASN 101 Ca 0.09 -1.12 -0.17 0.00 1.68 0.00 0.00 54.58 55.06 2bdi n ASN 101 Cb 0.60 -2.41 -0.13 0.00 -1.54 0.00 0.00 39.78 36.30 2bdi n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2bdi n ASP 102 N -2.86 5.75 -4.32 6.41 2.03 -1.26 -4.21 116.55 118.09 2bdi n ASP 102 Ca -0.23 -2.46 -0.22 0.00 0.52 0.00 0.00 54.79 52.40 2bdi n ASP 102 Cb 0.64 -1.39 -0.11 0.00 -0.72 0.00 0.00 41.12 39.54 2bdi n ASP 102 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2bdi s LEU 103 N 0.04 2.41 -0.14 -2.67 2.34 -1.26 -2.47 118.68 116.93 2bdi s LEU 103 Ca 0.64 -0.83 -0.10 0.00 0.06 0.00 0.00 54.13 53.91 2bdi s LEU 103 Cb 0.27 -0.83 0.04 0.00 -0.56 0.00 0.00 46.19 45.12 2bdi s LEU 103 CO -0.01 -0.02 0.34 -0.32 -1.06 0.00 0.00 176.35 175.28 2bdi s MET 104 N -2.62 0.35 -0.18 1.48 1.75 0.18 -2.05 119.30 118.22 2bdi s MET 104 Ca 0.14 0.59 -0.14 0.00 -1.25 0.00 0.00 55.69 55.03 2bdi s MET 104 Cb -0.07 0.05 -0.05 0.00 2.84 0.00 0.00 34.83 37.61 2bdi s MET 104 CO 0.06 -0.11 0.29 -0.51 -0.65 0.00 0.00 175.02 174.10 2bdi s LEU 105 N 0.83 4.21 -0.24 4.11 1.43 -0.48 -0.44 118.68 128.09 2bdi s LEU 105 Ca -0.05 0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 53.43 2bdi s LEU 105 Cb -0.06 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 2bdi s LEU 105 CO -0.06 0.06 0.07 -0.63 0.23 0.00 0.00 176.35 176.02 2bdi s ILE 106 N 0.71 4.41 -0.26 -0.59 1.01 0.75 -0.00 121.20 127.22 2bdi s ILE 106 Ca 0.16 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.47 2bdi s ILE 106 Cb -0.13 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 2bdi s ILE 106 CO 0.04 0.35 0.60 -0.75 0.00 0.00 0.00 174.94 175.19 2bdi s LYS 107 N 1.44 4.07 0.43 2.79 2.20 0.15 -0.42 119.74 130.40 2bdi s LYS 107 Ca 0.06 0.46 -0.23 0.00 -0.36 0.00 0.00 55.97 55.90 2bdi s LYS 107 Cb -0.15 -3.66 -0.08 0.00 -1.51 0.00 0.00 37.83 32.43 2bdi s LYS 107 CO 0.04 -0.42 1.10 -0.51 -0.36 0.00 0.00 175.35 175.19 2bdi s LEU 108 N 2.47 4.07 0.07 5.43 1.43 -0.55 -4.01 118.68 127.59 2bdi s LEU 108 Ca 0.25 2.14 -0.35 0.00 -1.03 0.00 0.00 54.13 55.14 2bdi s LEU 108 Cb -0.15 -4.23 -0.18 0.00 0.03 0.00 0.00 46.19 41.66 2bdi s LEU 108 CO 0.09 -0.68 1.54 0.44 0.23 0.00 0.00 176.35 177.97 2bdi h ASP 109 N 2.27 -1.21 -3.39 2.29 3.45 -1.43 -3.40 116.42 115.00 2bdi h ASP 109 Ca -0.49 0.07 -0.65 0.00 0.43 0.00 0.00 57.03 56.39 2bdi h ASP 109 Cb 1.23 0.36 -0.26 0.00 -0.56 0.00 0.00 39.33 40.10 2bdi h ASP 109 CO 0.61 -0.72 -0.71 -0.70 -1.57 0.00 0.00 179.24 176.16 2bdi s GLU 110 N -5.77 3.46 0.26 3.56 2.12 -1.26 -5.08 118.70 115.98 2bdi s GLU 110 Ca -0.18 -0.60 -0.30 0.00 0.36 0.00 0.00 54.97 54.25 2bdi s GLU 110 Cb 0.03 -2.97 -0.14 0.00 0.26 0.00 0.00 34.13 31.32 2bdi s GLU 110 CO 0.57 -0.06 1.21 0.45 -0.54 0.00 0.00 175.26 176.89 2bdi n SER 111 N 4.39 2.02 -4.95 -1.70 2.88 -1.26 -4.95 113.62 110.06 2bdi n SER 111 Ca -0.18 1.17 -0.23 0.00 -1.33 0.00 0.00 58.87 58.30 2bdi n SER 111 Cb 0.51 -1.36 -0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2bdi n SER 111 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2bdi s VAL 112 N -0.61 4.54 -0.28 2.46 -7.23 -0.57 -4.96 120.40 113.74 2bdi s VAL 112 Ca 0.63 -0.47 -0.08 0.00 -1.81 0.00 0.00 61.98 60.25 2bdi s VAL 112 Cb -0.69 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 32.57 2bdi s VAL 112 CO 0.56 -0.45 0.11 -0.44 -0.31 0.00 0.00 175.10 174.57 2bdi s SER 113 N -4.13 5.34 -0.66 4.85 0.01 -1.26 -4.81 113.70 113.04 2bdi s SER 113 Ca 0.44 -0.38 -0.29 0.00 1.31 0.00 0.00 55.95 57.03 2bdi s SER 113 Cb -0.10 -1.96 -0.13 0.00 0.21 0.00 0.00 66.02 64.04 2bdi s SER 113 CO 0.37 -0.12 2.49 -0.62 0.41 0.00 0.00 173.24 175.78 2bdi n GLU 114 N 4.95 0.67 -0.18 12.44 1.02 -1.26 -4.90 120.64 133.38 2bdi n GLU 114 Ca -0.15 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2bdi n GLU 114 Cb 0.50 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 2bdi n GLU 114 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2bdi n SER 115 N 13.11 0.00 -0.03 1.62 3.41 -0.47 -4.93 113.62 126.33 2bdi n SER 115 Ca 0.48 -0.26 -0.16 0.00 -0.26 0.00 0.00 58.87 58.68 2bdi n SER 115 Cb 0.31 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 2bdi n SER 115 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2bdi h ASP 116 N 0.00 0.91 -0.49 4.04 -0.00 -1.95 -3.22 116.42 115.71 2bdi h ASP 116 Ca 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 57.03 56.47 2bdi h ASP 116 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.06 2bdi h ASP 116 CO 0.00 1.35 0.00 0.35 -0.00 0.00 0.00 179.24 180.94 2bdi n THR 117 N -3.95 0.90 -3.57 2.25 -2.24 -1.26 -4.82 114.28 101.58 2bdi n THR 117 Ca -0.06 -0.95 -0.29 0.00 -2.27 0.00 0.00 64.05 60.48 2bdi n THR 117 Cb 0.70 0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 69.38 2bdi n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2bdi s ILE 118 N -1.05 0.30 0.13 2.28 1.01 -1.21 -4.03 121.20 118.62 2bdi s ILE 118 Ca 0.35 -1.33 0.06 0.00 0.00 0.00 0.00 60.65 59.73 2bdi s ILE 118 Cb 0.18 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2bdi s ILE 118 CO 0.24 -0.82 -0.15 -0.60 0.00 0.00 0.00 174.94 173.62 2bdi s ARG 119 N 1.54 1.05 0.40 2.79 3.52 -0.84 -1.36 118.95 126.05 2bdi s ARG 119 Ca 0.13 -1.25 -0.03 0.00 -0.13 0.00 0.00 55.73 54.44 2bdi s ARG 119 Cb -0.19 -0.96 -0.04 0.00 -1.56 0.00 0.00 34.95 32.20 2bdi s ARG 119 CO -0.20 0.19 0.66 -1.54 -0.81 0.00 0.00 175.30 173.60 2bdi s SER 120 N -2.45 6.30 0.19 -2.12 1.04 -1.26 -2.50 113.70 112.91 2bdi s SER 120 Ca 0.09 0.72 0.09 0.00 0.48 0.00 0.00 55.95 57.33 2bdi s SER 120 Cb -0.05 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 2bdi s SER 120 CO 0.03 -0.42 -0.18 -0.51 0.98 0.00 0.00 173.24 173.15 2bdi s ILE 121 N -2.49 1.96 0.13 -1.02 2.07 -0.54 -4.91 121.20 116.40 2bdi s ILE 121 Ca 0.44 -2.07 0.02 0.00 -1.41 0.00 0.00 60.65 57.62 2bdi s ILE 121 Cb -0.10 -1.99 -0.04 0.00 0.13 0.00 0.00 42.46 40.46 2bdi s ILE 121 CO 0.39 -0.37 0.27 -0.94 -1.91 0.00 0.00 174.94 172.38 2bdi s SER 122 N -2.95 6.35 -0.09 4.50 1.04 -1.26 -4.48 113.70 116.80 2bdi s SER 122 Ca 0.20 0.20 -0.21 0.00 0.48 0.00 0.00 55.95 56.63 2bdi s SER 122 Cb -0.05 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.11 2bdi s SER 122 CO 0.08 0.07 0.58 -0.63 0.98 0.00 0.00 173.24 174.32 2bdi s ILE 123 N -1.70 5.12 0.29 -1.02 1.01 -1.26 -0.83 121.20 122.81 2bdi s ILE 123 Ca 0.35 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.88 2bdi s ILE 123 Cb -0.11 -3.92 -0.13 0.00 0.01 0.00 0.00 42.46 38.31 2bdi s ILE 123 CO 0.28 0.29 1.39 0.00 0.00 0.00 0.00 174.94 176.91 2bdi n ALA 124 N 3.71 1.43 0.37 9.38 0.00 0.39 -4.80 120.51 130.99 2bdi n ALA 124 Ca -0.04 0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.88 2bdi n ALA 124 Cb 0.51 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.52 2bdi n ALA 124 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bdi n SER 125 N 1.57 0.45 -4.92 0.00 3.41 -1.26 -4.23 113.62 108.65 2bdi n SER 125 Ca 0.08 -0.38 -0.27 0.00 -0.26 0.00 0.00 58.87 58.03 2bdi n SER 125 Cb 0.34 1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 65.86 2bdi n SER 125 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2bdi s GLN 127 N -3.28 3.57 0.42 4.33 0.74 -1.26 -4.91 119.66 119.27 2bdi s GLN 127 Ca -0.02 -0.15 -0.09 0.00 0.05 0.00 0.00 55.36 55.16 2bdi s GLN 127 Cb 0.14 -2.69 -0.06 0.00 1.10 0.00 0.00 33.01 31.50 2bdi s GLN 127 CO 0.87 0.24 0.76 0.00 -0.55 0.00 0.00 175.29 176.61 2bdi n PRO 129 N -1.51 0.92 -4.82 0.00 -0.02 -1.26 -4.99 135.00 123.31 2bdi n PRO 129 Ca 0.02 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.49 2bdi n PRO 129 Cb 0.54 -1.63 -0.14 0.00 -0.02 0.00 0.00 33.50 32.26 2bdi n PRO 129 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2bdi s THR 130 N -1.17 3.07 0.31 3.45 -4.23 -1.26 -5.08 115.64 110.73 2bdi s THR 130 Ca 0.61 -0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 60.15 2bdi s THR 130 Cb -0.70 -2.25 -0.12 0.00 1.34 0.00 0.00 72.50 70.76 2bdi s THR 130 CO 0.59 0.55 1.36 0.00 -0.54 0.00 0.00 174.62 176.58 2bdi n ALA 132 N 3.01 1.43 0.00 3.99 0.00 -1.26 -1.90 120.51 125.78 2bdi n ALA 132 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2bdi n ALA 132 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2bdi n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bdi n GLY 133 N 1.24 2.85 3.71 0.00 0.00 0.50 -4.91 105.19 108.59 2bdi n GLY 133 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2bdi n GLY 133 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bdi n ASN 134 N 0.40 3.32 -4.65 1.61 2.85 -0.80 -4.50 115.26 113.48 2bdi n ASN 134 Ca 0.00 1.15 -0.37 0.00 -0.11 0.00 0.00 54.58 55.25 2bdi n ASN 134 Cb 0.00 -1.52 -0.09 0.00 1.24 0.00 0.00 39.78 39.41 2bdi n ASN 134 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2bdi s SER 135 N 0.32 6.21 0.00 1.20 0.15 -1.26 -0.26 113.70 120.06 2bdi s SER 135 Ca 0.65 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2bdi s SER 135 Cb -0.56 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2bdi s SER 135 CO 0.51 -0.00 0.00 0.00 1.20 0.00 0.00 173.24 174.94 2bdi s LEU 137 N 0.00 2.25 0.02 0.00 2.96 -0.37 -1.93 118.68 121.61 2bdi s LEU 137 Ca 0.00 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 2bdi s LEU 137 Cb 0.00 -0.20 -0.02 0.00 0.50 0.00 0.00 46.19 46.48 2bdi s LEU 137 CO 0.00 -0.18 -0.05 0.54 -1.32 0.00 0.00 176.35 175.33 2bdi s VAL 138 N -1.33 0.33 0.03 1.68 0.11 -0.59 -0.40 120.40 120.24 2bdi s VAL 138 Ca -0.09 -0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 58.18 2bdi s VAL 138 Cb -0.10 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 2bdi s VAL 138 CO 0.01 -0.30 -0.02 -0.94 -3.33 0.00 0.00 175.10 170.52 2bdi s SER 139 N -1.14 0.35 0.00 3.54 1.04 -1.22 -1.39 113.70 114.88 2bdi s SER 139 Ca -0.09 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2bdi s SER 139 Cb -0.08 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2bdi s SER 139 CO -0.00 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2bdi n GLY 140 N 0.86 0.03 1.45 7.32 0.00 -0.47 -4.22 105.19 110.17 2bdi n GLY 140 Ca -0.19 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 44.92 2bdi n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bdi n TRP 141 N -0.29 1.56 -0.98 1.61 8.01 -1.26 -1.57 117.44 124.52 2bdi n TRP 141 Ca 0.00 -0.78 -0.30 0.00 -1.31 0.00 0.00 57.50 55.12 2bdi n TRP 141 Cb 0.00 -0.41 0.23 0.00 -2.01 0.00 0.00 31.31 29.12 2bdi n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2bdi s GLY 142 N -1.26 1.55 0.50 6.99 0.00 -1.22 -4.29 107.32 109.60 2bdi s GLY 142 Ca 0.49 -0.72 -0.21 0.00 0.00 0.00 0.00 44.72 44.28 2bdi s GLY 142 CO 0.14 0.10 0.80 1.04 0.00 0.00 0.00 173.10 175.17 2bdi n LEU 143 N -4.73 1.98 -5.01 0.66 4.32 0.47 -3.01 117.00 111.69 2bdi n LEU 143 Ca 0.10 0.88 -0.19 0.00 -0.02 0.00 0.00 56.01 56.78 2bdi n LEU 143 Cb 0.59 -1.28 0.03 0.00 -1.62 0.00 0.00 43.42 41.14 2bdi n LEU 143 CO 0.49 -2.20 0.27 -0.76 -1.22 0.00 0.00 177.39 173.97 2bdi s LEU 144 N -0.20 3.40 0.56 2.23 1.43 0.11 -1.43 118.68 124.78 2bdi s LEU 144 Ca 0.68 -0.42 0.31 0.00 -1.03 0.00 0.00 54.13 53.67 2bdi s LEU 144 Cb -0.50 -2.43 1.46 0.00 0.03 0.00 0.00 46.19 44.74 2bdi s LEU 144 CO 0.54 -1.06 1.83 0.00 0.23 0.00 0.00 176.35 177.90 2bdi h ALA 145 N 0.32 2.66 -0.18 4.21 0.00 -1.87 0.59 119.26 124.99 2bdi h ALA 145 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2bdi h ALA 145 Cb 1.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2bdi h ALA 145 CO 0.45 -1.07 0.00 0.27 0.00 0.00 0.00 179.25 178.90 2bdi n ASN 146 N -3.96 1.37 -0.45 0.00 0.23 -1.26 -4.88 115.26 106.32 2bdi n ASN 146 Ca 0.16 -1.76 -0.06 0.00 -0.53 0.00 0.00 54.58 52.39 2bdi n ASN 146 Cb 0.95 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 38.51 2bdi n ASN 146 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bdi n GLY 147 N 1.02 0.82 3.54 4.83 0.00 0.21 -5.00 105.19 110.60 2bdi n GLY 147 Ca 0.14 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 2bdi n GLY 147 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bdi s ARG 150 N -2.26 1.96 0.07 1.61 3.00 -1.25 -4.76 118.95 117.32 2bdi s ARG 150 Ca 0.00 -1.18 -0.26 0.00 -1.00 0.00 0.00 55.73 53.29 2bdi s ARG 150 Cb 0.00 -2.17 -0.06 0.00 0.00 0.00 0.00 34.95 32.72 2bdi s ARG 150 CO 0.00 0.47 0.80 -1.64 0.00 0.00 0.00 175.30 174.93 2bdi s MET 151 N -2.42 4.54 0.72 5.12 -1.94 -1.26 0.04 119.30 124.11 2bdi s MET 151 Ca 0.21 1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 55.22 2bdi s MET 151 Cb -0.10 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.41 2bdi s MET 151 CO 0.13 0.32 1.07 -1.25 -0.01 0.00 0.00 175.02 175.28 2bdi s PRO 152 N -0.22 2.73 -0.00 2.03 0.04 -1.26 -4.95 135.00 133.37 2bdi s PRO 152 Ca 0.39 0.73 0.14 0.00 0.04 0.00 0.00 61.00 62.30 2bdi s PRO 152 Cb -0.21 -1.98 -0.19 0.00 0.04 0.00 0.00 34.50 32.15 2bdi s PRO 152 CO 0.25 -1.18 0.73 0.25 0.04 0.00 0.00 177.00 177.08 2bdi n THR 153 N -3.15 1.44 -4.45 1.26 -2.24 -1.26 -4.95 114.28 100.92 2bdi n THR 153 Ca 0.07 -0.75 -0.22 0.00 -2.27 0.00 0.00 64.05 60.88 2bdi n THR 153 Cb 0.55 -0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 67.76 2bdi n THR 153 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2bdi s VAL 154 N -2.73 1.46 0.23 2.28 -7.23 -1.26 -3.81 120.40 109.33 2bdi s VAL 154 Ca -0.04 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 57.77 2bdi s VAL 154 Cb 0.08 -2.66 -0.11 0.00 0.56 0.00 0.00 36.38 34.25 2bdi s VAL 154 CO 0.82 -0.14 1.61 -0.22 -0.31 0.00 0.00 175.10 176.86 2bdi s LEU 155 N -3.49 4.36 0.13 1.32 2.96 -0.45 -4.84 118.68 118.67 2bdi s LEU 155 Ca 0.33 2.80 0.01 0.00 -0.22 0.00 0.00 54.13 57.05 2bdi s LEU 155 Cb 0.07 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2bdi s LEU 155 CO 0.14 -0.88 0.27 -1.10 -1.32 0.00 0.00 176.35 173.46 2bdi s GLN 156 N 0.47 3.45 0.15 1.98 -1.52 -0.61 -1.48 119.66 122.09 2bdi s GLN 156 Ca 0.68 -0.52 0.07 0.00 -1.95 0.00 0.00 55.36 53.64 2bdi s GLN 156 Cb -0.47 -2.98 -0.04 0.00 -0.22 0.00 0.00 33.01 29.31 2bdi s GLN 156 CO 0.38 0.54 -0.15 0.00 -0.25 0.00 0.00 175.29 175.81 2bdi s VAL 158 N -2.38 0.00 -0.09 0.00 0.11 -0.49 -1.59 120.40 115.97 2bdi s VAL 158 Ca 0.13 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2bdi s VAL 158 Cb -0.04 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 2bdi s VAL 158 CO 0.04 0.00 -0.04 0.20 -3.33 0.00 0.00 175.10 171.97 2bdi s ASN 159 N -2.04 4.85 0.02 3.54 -0.87 -1.26 -1.55 114.94 117.63 2bdi s ASN 159 Ca 0.02 0.00 -0.02 0.00 -1.57 0.00 0.00 52.86 51.29 2bdi s ASN 159 Cb -0.01 -1.39 -0.01 0.00 -0.02 0.00 0.00 41.25 39.81 2bdi s ASN 159 CO -0.05 0.32 0.02 0.68 -2.57 0.00 0.00 177.10 175.51 2bdi s VAL 160 N -0.57 0.11 0.09 1.60 -7.23 -0.81 -4.87 120.40 108.71 2bdi s VAL 160 Ca 0.09 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 2bdi s VAL 160 Cb -0.12 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 2bdi s VAL 160 CO 0.02 -0.49 0.08 -0.44 -0.31 0.00 0.00 175.10 173.96 2bdi s SER 161 N -1.52 5.49 0.33 4.85 0.01 -1.26 -1.38 113.70 120.22 2bdi s SER 161 Ca -0.14 -0.03 -0.29 0.00 1.31 0.00 0.00 55.95 56.80 2bdi s SER 161 Cb -0.08 -1.46 -0.11 0.00 0.21 0.00 0.00 66.02 64.58 2bdi s SER 161 CO -0.01 0.16 1.46 -0.69 0.41 0.00 0.00 173.24 174.57 2bdi s VAL 162 N -1.41 2.31 0.13 3.43 1.01 0.64 0.07 120.40 126.59 2bdi s VAL 162 Ca 0.29 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2bdi s VAL 162 Cb -0.12 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2bdi s VAL 162 CO 0.22 0.06 0.24 -0.69 0.00 0.00 0.00 175.10 174.93 2bdi s VAL 163 N -0.73 5.20 0.61 2.92 1.01 -1.07 -0.37 120.40 127.96 2bdi s VAL 163 Ca 0.55 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 2bdi s VAL 163 Cb -0.44 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2bdi s VAL 163 CO 0.55 -0.04 1.15 -0.94 0.00 0.00 0.00 175.10 175.82 2bdi s SER 164 N -3.03 5.26 0.20 3.32 1.04 -1.26 -4.64 113.70 114.59 2bdi s SER 164 Ca 0.34 2.21 -0.11 0.00 0.48 0.00 0.00 55.95 58.87 2bdi s SER 164 Cb -0.11 -2.58 0.23 0.00 0.10 0.00 0.00 66.02 63.66 2bdi s SER 164 CO 0.27 -1.53 1.76 -0.08 0.98 0.00 0.00 173.24 174.64 2bdi h GLU 165 N 0.66 0.43 0.64 4.02 4.81 -1.98 -1.24 114.58 121.92 2bdi h GLU 165 Ca -0.49 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2bdi h GLU 165 Cb 1.27 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2bdi h GLU 165 CO 0.55 0.28 -0.50 1.49 -0.73 0.00 0.00 179.01 180.10 2bdi h GLU 166 N 0.44 -1.07 -0.83 1.92 4.81 -1.99 0.12 114.58 117.98 2bdi h GLU 166 Ca 0.28 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.74 2bdi h GLU 166 Cb 0.30 0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 2bdi h GLU 166 CO -0.26 -0.71 0.55 0.28 -0.73 0.00 0.00 179.01 178.14 2bdi h VAL 167 N -1.11 0.78 -0.03 0.32 2.07 -1.77 -1.26 116.25 115.25 2bdi h VAL 167 Ca -0.08 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 2bdi h VAL 167 Cb 0.92 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2bdi h VAL 167 CO 0.01 0.09 -0.56 0.00 0.02 0.00 0.00 177.57 177.14 2bdi h SER 169 N -0.06 0.24 0.08 0.00 4.64 -0.32 0.18 113.55 118.31 2bdi h SER 169 Ca -0.06 -0.05 -0.24 0.00 -0.47 0.00 0.00 61.79 60.97 2bdi h SER 169 Cb 1.25 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2bdi h SER 169 CO 0.11 0.41 -0.98 0.11 -0.87 0.00 0.00 176.83 175.61 2bdi h LYS 170 N 0.24 0.51 0.00 4.77 1.57 -1.06 -0.60 116.57 122.00 2bdi h LYS 170 Ca 0.05 -0.67 -0.01 0.00 -1.87 0.00 0.00 60.65 58.15 2bdi h LYS 170 Cb 0.40 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 2bdi h LYS 170 CO 0.02 1.28 -0.07 -0.07 -0.57 0.00 0.00 179.45 180.04 2bdi h LEU 171 N 0.06 0.00 -2.76 2.94 3.38 -0.31 -3.10 115.31 115.52 2bdi h LEU 171 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2bdi h LEU 171 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 2bdi h LEU 171 CO 0.19 0.07 -0.00 -1.22 0.09 0.00 0.00 178.44 177.57 2bdi n TYR 172 N -3.54 0.00 -1.69 1.13 4.01 0.57 -5.01 117.16 112.63 2bdi n TYR 172 Ca -0.02 -0.45 -0.43 0.00 -0.16 0.00 0.00 57.90 56.84 2bdi n TYR 172 Cb 0.19 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 2bdi n TYR 172 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2bdi n ASP 173 N -0.46 2.61 -1.28 7.72 -0.08 -0.24 -0.68 116.55 124.15 2bdi n ASP 173 Ca 0.00 1.20 0.11 0.00 -1.51 0.00 0.00 54.79 54.60 2bdi n ASP 173 Cb 0.29 -1.46 0.30 0.00 2.34 0.00 0.00 41.12 42.59 2bdi n ASP 173 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bdi n PRO 174 N 0.68 2.61 0.07 -0.67 -0.04 -1.26 -4.82 135.00 131.57 2bdi n PRO 174 Ca 0.06 -2.50 0.12 0.00 -0.04 0.00 0.00 63.50 61.14 2bdi n PRO 174 Cb 0.35 -1.54 0.46 0.00 -0.04 0.00 0.00 33.50 32.73 2bdi n PRO 174 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2bdi n LEU 175 N 1.54 0.43 -4.75 1.53 4.77 0.14 -4.88 117.00 115.79 2bdi n LEU 175 Ca 0.23 0.57 -0.41 0.00 -0.03 0.00 0.00 56.01 56.37 2bdi n LEU 175 Cb 0.59 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2bdi n LEU 175 CO 0.16 -0.24 0.85 -0.47 -1.33 0.00 0.00 177.39 176.36 2bdi s TYR 176 N -3.11 3.45 0.11 -1.77 6.14 -0.61 -4.88 117.35 116.68 2bdi s TYR 176 Ca 0.09 1.54 0.02 0.00 0.64 0.00 0.00 57.07 59.37 2bdi s TYR 176 Cb 0.13 -3.39 -0.04 0.00 0.42 0.00 0.00 41.96 39.07 2bdi s TYR 176 CO 0.47 -0.99 -0.06 -1.58 0.64 0.00 0.00 175.55 174.03 2bdi s HIS 177 N -0.66 0.95 -1.15 4.97 2.46 -1.26 -4.95 115.29 115.66 2bdi s HIS 177 Ca 0.49 -0.91 0.04 0.00 0.47 0.00 0.00 55.06 55.15 2bdi s HIS 177 Cb -0.33 -0.54 0.18 0.00 -0.13 0.00 0.00 32.58 31.76 2bdi s HIS 177 CO 0.40 -0.13 1.06 -2.30 -2.47 0.00 0.00 174.74 171.31 2bdi n PRO 178 N -0.08 0.02 -0.65 2.88 -0.02 -1.26 -1.15 135.00 134.74 2bdi n PRO 178 Ca -0.11 0.37 0.02 0.00 -2.02 0.00 0.00 63.50 61.75 2bdi n PRO 178 Cb 0.61 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.85 2bdi n PRO 178 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bdi n SER 179 N -1.42 4.17 -3.97 2.55 3.41 -1.26 -4.77 113.62 112.32 2bdi n SER 179 Ca 0.01 -2.70 -0.09 0.00 -0.26 0.00 0.00 58.87 55.83 2bdi n SER 179 Cb 0.04 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.27 2bdi n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bdi s MET 180 N -2.22 1.04 0.02 4.33 0.23 -0.30 -1.39 119.30 121.01 2bdi s MET 180 Ca 0.38 -1.17 -0.19 0.00 -1.03 0.00 0.00 55.69 53.68 2bdi s MET 180 Cb 0.29 0.34 0.04 0.00 -1.53 0.00 0.00 34.83 33.97 2bdi s MET 180 CO 0.10 -0.35 0.41 -0.59 -2.03 0.00 0.00 175.02 172.57 2bdi s PHE 181 N -3.96 -0.28 0.36 3.16 -0.12 -0.17 -4.70 117.98 112.27 2bdi s PHE 181 Ca 0.15 0.33 -0.00 0.00 -0.05 0.00 0.00 56.93 57.36 2bdi s PHE 181 Cb 0.04 0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 2bdi s PHE 181 CO -0.02 -0.53 0.58 0.00 -0.05 0.00 0.00 175.22 175.19 2bdi s ALA 183 N -2.36 -1.78 0.00 0.00 0.00 -0.86 -2.60 121.76 114.15 2bdi s ALA 183 Ca 0.41 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.41 2bdi s ALA 183 Cb -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.84 2bdi s ALA 183 CO 0.37 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.20 2bdi n GLY 184 N 2.72 0.30 1.78 0.00 0.00 0.11 -2.51 105.19 107.59 2bdi n GLY 184 Ca -0.14 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2bdi n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bdi n GLY 185 N 0.00 0.59 3.86 -0.02 0.00 -1.26 -4.52 105.19 103.84 2bdi n GLY 185 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2bdi n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bdi s GLY 186 N -1.99 1.68 0.44 -0.02 0.00 -1.26 -0.01 107.32 106.15 2bdi s GLY 186 Ca 0.00 -0.92 0.22 0.00 0.00 0.00 0.00 44.72 44.02 2bdi s GLY 186 CO 0.00 -0.25 1.87 -1.61 0.00 0.00 0.00 173.10 173.11 2bdi h GLN 186 N -1.57 0.00 0.00 2.90 5.75 -1.94 -2.52 115.11 117.73 2bdi h GLN 186 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2bdi h GLN 186 Cb 1.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.83 2bdi h GLN 186 CO 0.49 0.25 0.00 -0.40 -2.65 0.00 0.00 178.83 176.52 2bdi n ASP 186 N -3.57 0.00 -3.95 -0.69 3.85 -1.26 -4.84 116.55 106.08 2bdi n ASP 186 Ca -0.01 -0.56 -0.31 0.00 -0.71 0.00 0.00 54.79 53.20 2bdi n ASP 186 Cb 0.40 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.18 2bdi n ASP 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2bdi n GLN 187 N -0.97 -4.75 -3.45 0.11 6.02 -0.95 -4.96 117.38 108.42 2bdi n GLN 187 Ca 0.12 0.53 -0.37 0.00 -0.01 0.00 0.00 57.00 57.27 2bdi n GLN 187 Cb 0.05 -5.38 -0.07 0.00 1.02 0.00 0.00 30.24 25.87 2bdi n GLN 187 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bdi s LYS 188 N -6.66 4.27 0.05 -1.09 1.02 -1.26 -4.42 119.74 111.65 2bdi s LYS 188 Ca 0.67 0.21 -0.28 0.00 0.02 0.00 0.00 55.97 56.59 2bdi s LYS 188 Cb -0.35 -3.44 0.10 0.00 -0.52 0.00 0.00 37.83 33.62 2bdi s LYS 188 CO 0.83 0.18 1.16 0.34 -0.92 0.00 0.00 175.35 176.93 2bdi s ASP 189 N 0.60 -0.10 0.85 2.83 2.15 -0.88 -4.20 116.67 117.91 2bdi s ASP 189 Ca 0.19 -0.25 -0.09 0.00 0.43 0.00 0.00 52.55 52.83 2bdi s ASP 189 Cb -0.14 0.29 0.16 0.00 -0.30 0.00 0.00 42.92 42.94 2bdi s ASP 189 CO 0.06 -0.55 1.17 -0.44 -0.17 0.00 0.00 175.17 175.25 2bdi s SER 190 N -3.00 3.72 0.17 -0.34 0.01 -1.26 0.59 113.70 113.59 2bdi s SER 190 Ca 0.14 0.03 -0.23 0.00 1.31 0.00 0.00 55.95 57.20 2bdi s SER 190 Cb 0.02 -0.24 0.07 0.00 0.21 0.00 0.00 66.02 66.07 2bdi s SER 190 CO -0.01 -2.31 0.62 0.00 0.41 0.00 0.00 173.24 171.95 2bdi n ASN 192 N -0.38 0.02 0.00 0.00 4.13 -1.26 -1.81 115.26 115.96 2bdi n ASN 192 Ca -0.15 0.68 0.00 0.00 1.68 0.00 0.00 54.58 56.79 2bdi n ASN 192 Cb 0.64 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 2bdi n ASN 192 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bdi n GLY 193 N 0.94 0.30 0.53 7.41 0.00 -1.26 -0.39 105.19 112.73 2bdi n GLY 193 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 2bdi n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bdi n ASP 194 N 0.00 2.06 -4.60 1.61 8.00 -0.75 -3.43 116.55 119.43 2bdi n ASP 194 Ca 0.00 -1.53 -0.44 0.00 0.71 0.00 0.00 54.79 53.53 2bdi n ASP 194 Cb 0.00 0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 2bdi n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bdi n SER 195 N 0.56 1.50 0.00 -2.24 7.64 -1.26 -0.12 113.62 119.70 2bdi n SER 195 Ca 0.08 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.14 2bdi n SER 195 Cb 0.36 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2bdi n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bdi n GLY 196 N 1.15 1.95 3.67 0.23 0.00 0.39 -1.55 105.19 111.04 2bdi n GLY 196 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2bdi n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bdi s GLY 197 N -2.00 1.64 0.32 -0.02 0.00 0.83 -3.66 107.32 104.43 2bdi s GLY 197 Ca 0.00 0.21 -0.19 0.00 0.00 0.00 0.00 44.72 44.73 2bdi s GLY 197 CO 0.00 0.69 0.82 2.56 0.00 0.00 0.00 173.10 177.17 2bdi s PRO 198 N -4.75 4.21 -0.27 2.90 0.04 -1.26 -0.55 135.00 135.33 2bdi s PRO 198 Ca 0.65 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2bdi s PRO 198 Cb -0.21 -2.55 0.08 0.00 0.04 0.00 0.00 34.50 31.86 2bdi s PRO 198 CO 0.58 0.19 0.02 -1.17 0.04 0.00 0.00 177.00 176.66 2bdi s LEU 199 N -2.62 2.71 -0.00 -3.56 2.96 0.04 -3.42 118.68 114.78 2bdi s LEU 199 Ca 0.52 -1.43 -0.11 0.00 -0.22 0.00 0.00 54.13 52.89 2bdi s LEU 199 Cb -0.13 -1.11 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 2bdi s LEU 199 CO 0.18 -0.32 0.34 -0.63 -1.32 0.00 0.00 176.35 174.60 2bdi s ILE 200 N 1.42 5.17 -0.25 6.68 -1.09 0.47 0.11 121.20 133.72 2bdi s ILE 200 Ca 0.02 0.53 -0.03 0.00 -2.23 0.00 0.00 60.65 58.94 2bdi s ILE 200 Cb -0.18 -3.62 0.11 0.00 -1.58 0.00 0.00 42.46 37.19 2bdi s ILE 200 CO -0.12 0.49 0.22 0.00 -1.23 0.00 0.00 174.94 174.30 2bdi n ASN 202 N 5.30 -2.46 0.00 0.00 5.03 -1.26 -2.48 115.26 119.40 2bdi n ASN 202 Ca -0.04 -0.52 0.00 0.00 0.87 0.00 0.00 54.58 54.89 2bdi n ASN 202 Cb 0.47 -4.43 0.00 0.00 -1.02 0.00 0.00 39.78 34.80 2bdi n ASN 202 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bdi n GLY 203 N -1.19 0.17 3.60 7.41 0.00 -1.26 -5.00 105.19 108.93 2bdi n GLY 203 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 2bdi n GLY 203 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bdi s TYR 208 N -1.35 2.68 -0.51 1.61 1.51 -1.03 -4.73 117.35 115.53 2bdi s TYR 208 Ca 0.00 -0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 55.57 2bdi s TYR 208 Cb 0.00 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.60 2bdi s TYR 208 CO 0.00 0.54 1.17 -1.17 -1.11 0.00 0.00 175.55 174.98 2bdi s LEU 209 N -3.02 3.57 -0.16 -1.29 2.96 -0.01 -0.03 118.68 120.70 2bdi s LEU 209 Ca 0.27 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.53 2bdi s LEU 209 Cb -0.08 -3.43 -0.23 0.00 0.50 0.00 0.00 46.19 42.95 2bdi s LEU 209 CO 0.17 -1.34 0.20 1.67 -1.32 0.00 0.00 176.35 175.73 2bdi n GLN 210 N 8.05 0.71 -3.84 1.98 -0.06 0.12 -0.46 117.38 123.88 2bdi n GLN 210 Ca 0.11 0.22 -0.10 0.00 -2.00 0.00 0.00 57.00 55.23 2bdi n GLN 210 Cb 0.49 -1.65 0.02 0.00 -4.06 0.00 0.00 30.24 25.04 2bdi n GLN 210 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2bdi s GLY 211 N -5.81 0.54 0.01 1.69 0.00 -0.83 -2.95 107.32 99.97 2bdi s GLY 211 Ca -0.24 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 43.68 2bdi s GLY 211 CO 0.73 -0.41 -0.20 1.08 0.00 0.00 0.00 173.10 174.30 2bdi s LEU 212 N -3.10 2.10 -0.17 0.66 1.43 -1.21 -0.78 118.68 117.60 2bdi s LEU 212 Ca 0.18 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 2bdi s LEU 212 Cb -0.04 -0.99 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 2bdi s LEU 212 CO 0.13 0.20 2.00 -0.69 0.23 0.00 0.00 176.35 178.22 2bdi s VAL 213 N -0.61 3.19 0.00 -1.59 1.01 0.28 -0.76 120.40 121.92 2bdi s VAL 213 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2bdi s VAL 213 Cb -0.08 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2bdi s VAL 213 CO 0.00 -0.10 0.00 -0.24 0.00 0.00 0.00 175.10 174.76 2bdi n SER 214 N 9.92 0.00 -2.83 3.32 2.88 -1.01 0.15 113.62 126.06 2bdi n SER 214 Ca 0.25 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.70 2bdi n SER 214 Cb 0.44 -0.36 0.03 0.00 -0.75 0.00 0.00 64.21 63.57 2bdi n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bdi s PHE 215 N -0.91 0.16 0.00 0.66 -0.12 -1.12 -4.87 117.98 111.79 2bdi s PHE 215 Ca 0.00 -0.86 0.00 0.00 -0.05 0.00 0.00 56.93 56.02 2bdi s PHE 215 Cb 0.00 0.85 0.00 0.00 -0.63 0.00 0.00 43.02 43.24 2bdi s PHE 215 CO 0.00 -1.61 0.00 0.41 -0.05 0.00 0.00 175.22 173.97 2bdi n GLY 216 N -0.54 0.89 3.70 1.99 0.00 -1.26 0.56 105.19 110.53 2bdi n GLY 216 Ca -0.09 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 2bdi n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bdi s LYS 217 N -2.00 1.38 0.10 1.61 1.02 -1.26 -5.01 119.74 115.57 2bdi s LYS 217 Ca 0.00 1.50 0.09 0.00 0.02 0.00 0.00 55.97 57.58 2bdi s LYS 217 Cb 0.00 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 2bdi s LYS 217 CO 0.00 -2.36 -0.22 0.00 -0.92 0.00 0.00 175.35 171.85 2bdi s ALA 218 N -2.63 1.89 1.11 5.17 0.00 -1.26 -4.07 121.76 121.97 2bdi s ALA 218 Ca 0.66 -1.27 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 2bdi s ALA 218 Cb -0.22 -0.27 0.24 0.00 0.00 0.00 0.00 23.12 22.87 2bdi s ALA 218 CO 0.56 0.39 1.08 -1.25 0.00 0.00 0.00 175.76 176.54 2bdi s PRO 219 N -1.89 -0.43 0.72 0.00 0.04 -1.26 -5.11 135.00 127.07 2bdi s PRO 219 Ca 0.08 0.39 -0.13 0.00 0.04 0.00 0.00 61.00 61.38 2bdi s PRO 219 Cb -0.10 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.83 2bdi s PRO 219 CO 0.04 -3.28 1.12 0.00 0.04 0.00 0.00 177.00 174.92 2bdi n GLY 220 N -0.53 0.18 3.77 0.00 0.00 -1.26 -4.96 105.19 102.39 2bdi n GLY 220 Ca 0.11 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2bdi n GLY 220 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bdi s GLN 221 N -4.40 4.68 0.25 1.61 -0.21 -1.26 -4.60 119.66 115.73 2bdi s GLN 221 Ca 0.00 1.30 -0.30 0.00 0.02 0.00 0.00 55.36 56.38 2bdi s GLN 221 Cb 0.00 -3.18 -0.10 0.00 1.00 0.00 0.00 33.01 30.73 2bdi s GLN 221 CO 0.00 0.50 1.47 0.08 -2.12 0.00 0.00 175.29 175.22 2bdi s VAL 222 N -1.25 2.56 0.00 1.09 1.01 -1.26 -1.90 120.40 120.65 2bdi s VAL 222 Ca 0.40 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.85 2bdi s VAL 222 Cb -0.23 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2bdi s VAL 222 CO 0.28 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2bdi n GLY 223 N 2.30 0.81 2.80 4.51 0.00 0.99 -4.95 105.19 111.65 2bdi n GLY 223 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2bdi n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bdi s VAL 224 N -3.24 1.56 0.82 1.61 1.01 -0.80 -5.02 120.40 116.34 2bdi s VAL 224 Ca 0.00 -2.31 -0.11 0.00 0.00 0.00 0.00 61.98 59.56 2bdi s VAL 224 Cb 0.00 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.34 2bdi s VAL 224 CO 0.00 -0.77 1.09 -2.16 0.00 0.00 0.00 175.10 173.26 2bdi s PRO 225 N 0.70 1.89 0.42 2.72 0.04 -1.26 -4.27 135.00 135.25 2bdi s PRO 225 Ca 0.14 0.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.03 2bdi s PRO 225 Cb -0.22 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2bdi s PRO 225 CO -0.08 -1.82 0.70 0.20 0.04 0.00 0.00 177.00 176.04 2bdi s GLY 226 N -3.57 1.48 -0.10 0.56 0.00 -1.04 -4.66 107.32 99.99 2bdi s GLY 226 Ca 0.62 -0.63 -0.05 0.00 0.00 0.00 0.00 44.72 44.66 2bdi s GLY 226 CO 0.56 -0.50 0.11 0.14 0.00 0.00 0.00 173.10 173.41 2bdi s VAL 227 N -2.56 5.22 0.03 1.40 1.01 0.19 -2.04 120.40 123.67 2bdi s VAL 227 Ca 0.45 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.52 2bdi s VAL 227 Cb -0.10 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2bdi s VAL 227 CO 0.41 0.58 -0.09 -0.31 0.00 0.00 0.00 175.10 175.69 2bdi s TYR 228 N -1.03 0.81 0.14 5.22 1.51 0.16 -2.39 117.35 121.77 2bdi s TYR 228 Ca 0.16 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.54 2bdi s TYR 228 Cb -0.12 -0.49 -0.09 0.00 -0.11 0.00 0.00 41.96 41.16 2bdi s TYR 228 CO 0.05 -0.03 1.45 0.99 -1.11 0.00 0.00 175.55 176.91 2bdi s THR 229 N -0.96 3.06 -1.27 -0.71 2.01 0.06 -0.99 115.64 116.83 2bdi s THR 229 Ca -0.04 0.76 -0.15 0.00 0.31 0.00 0.00 61.69 62.57 2bdi s THR 229 Cb -0.08 -3.49 0.12 0.00 0.01 0.00 0.00 72.50 69.06 2bdi s THR 229 CO 0.01 0.06 1.64 -3.20 -0.69 0.00 0.00 174.62 172.43 2bdi n ASN 230 N 3.91 5.03 -0.09 3.53 5.15 -0.48 -3.35 115.26 128.94 2bdi n ASN 230 Ca 0.12 -2.95 0.24 0.00 -0.60 0.00 0.00 54.58 51.38 2bdi n ASN 230 Cb 0.41 -1.65 0.69 0.00 -0.53 0.00 0.00 39.78 38.70 2bdi n ASN 230 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2bdi h LEU 231 N 10.88 0.03 0.00 1.20 3.38 -1.86 0.14 115.31 129.09 2bdi h LEU 231 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2bdi h LEU 231 Cb 0.85 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2bdi h LEU 231 CO 1.39 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.94 2bdi n LYS 233 N -1.33 0.06 -0.34 0.00 4.76 0.50 -4.43 118.16 117.38 2bdi n LYS 233 Ca 0.00 -0.02 0.07 0.00 -2.87 0.00 0.00 58.31 55.50 2bdi n LYS 233 Cb 0.00 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 31.87 2bdi n LYS 233 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2bdi n PHE 234 N -1.57 0.14 0.28 2.13 3.72 -0.17 -4.80 117.46 117.20 2bdi n PHE 234 Ca 0.03 -1.21 -0.17 0.00 -0.05 0.00 0.00 57.45 56.05 2bdi n PHE 234 Cb 0.35 -0.22 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 2bdi n PHE 234 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2bdi h THR 235 N 0.55 0.18 -0.64 4.37 1.35 -1.77 0.20 112.91 117.16 2bdi h THR 235 Ca 0.02 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.01 2bdi h THR 235 Cb 1.08 0.18 -0.10 0.00 -1.73 0.00 0.00 68.15 67.58 2bdi h THR 235 CO 0.04 0.00 0.07 -0.08 -0.25 0.00 0.00 175.52 175.30 2bdi h GLU 236 N -0.87 0.18 0.06 4.72 4.81 -1.94 0.19 114.58 121.72 2bdi h GLU 236 Ca -0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2bdi h GLU 236 Cb 0.76 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2bdi h GLU 236 CO -0.03 0.12 -0.03 2.35 -0.73 0.00 0.00 179.01 180.69 2bdi h TRP 237 N 0.18 -0.08 -0.84 0.92 7.01 -1.81 0.14 115.95 121.48 2bdi h TRP 237 Ca 0.34 -0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.51 2bdi h TRP 237 Cb 0.55 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.58 2bdi h TRP 237 CO -0.32 0.10 0.55 0.82 -2.79 0.00 0.00 178.44 176.81 2bdi h ILE 238 N -0.25 0.76 0.30 2.65 2.04 0.14 -1.99 117.51 121.16 2bdi h ILE 238 Ca -0.01 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2bdi h ILE 238 Cb 0.22 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2bdi h ILE 238 CO 0.01 0.08 -0.14 -0.08 0.00 0.00 0.00 178.15 178.03 2bdi h GLU 239 N 0.46 -0.38 -0.44 2.37 4.57 -0.36 -1.56 114.58 119.24 2bdi h GLU 239 Ca 0.42 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.76 2bdi h GLU 239 Cb 0.95 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 2bdi h GLU 239 CO -0.16 -0.26 0.68 -0.22 -1.18 0.00 0.00 179.01 177.88 2bdi h LYS 240 N -0.97 0.00 0.00 1.92 3.64 -0.81 -0.12 116.57 120.24 2bdi h LYS 240 Ca -0.04 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2bdi h LYS 240 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2bdi h LYS 240 CO 0.07 0.00 -0.64 1.15 -2.27 0.00 0.00 179.45 177.76 2bdi h THR 241 N 0.00 0.43 -0.63 1.00 2.02 -1.33 -3.16 112.91 111.24 2bdi h THR 241 Ca 0.21 -1.48 0.06 0.00 0.77 0.00 0.00 66.41 65.97 2bdi h THR 241 Cb 1.57 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.90 2bdi h THR 241 CO -0.00 0.15 0.34 0.58 0.37 0.00 0.00 175.52 176.95 2bdi h VAL 242 N -1.00 0.95 0.00 3.16 2.07 -0.19 -3.36 116.25 117.87 2bdi h VAL 242 Ca -0.11 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2bdi h VAL 242 Cb 0.73 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2bdi h VAL 242 CO -0.07 0.11 0.00 1.67 0.02 0.00 0.00 177.57 179.31 2bdi n GLN 243 N -4.82 0.00 0.00 1.57 -0.06 -0.17 -5.10 117.38 108.80 2bdi n GLN 243 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 2bdi n GLN 243 Cb 0.17 -0.06 0.00 0.00 -4.06 0.00 0.00 30.24 26.29 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86