#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 4.81 -1.28 1.39 -1.09 0.17 -4.02 121.20 121.20 2bdi s ILE 17 Ca 0.00 -0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.36 2bdi s ILE 17 Cb 0.00 -3.22 0.01 0.00 -1.58 0.00 0.00 42.46 37.67 2bdi s ILE 17 CO 0.00 0.39 1.09 0.59 -1.23 0.00 0.00 174.94 175.77 2bdi n ASN 18 N 4.20 -4.09 0.00 3.58 5.03 -1.26 -2.42 115.26 120.30 2bdi n ASN 18 Ca -0.16 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.71 2bdi n ASN 18 Cb 0.52 -5.08 0.00 0.00 -1.02 0.00 0.00 39.78 34.20 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 -1.55 7.54 3.30 7.41 0.00 -1.26 -4.82 105.19 115.80 2bdi n GLY 19 Ca -0.15 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 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 1.11 1.13 0.10 1.61 2.02 -0.42 -4.92 118.70 119.32 2bdi s GLU 20 Ca 0.00 -1.28 -0.34 0.00 0.02 0.00 0.00 54.97 53.37 2bdi s GLU 20 Cb 0.00 0.34 -0.14 0.00 0.10 0.00 0.00 34.13 34.43 2bdi s GLU 20 CO 0.00 -0.39 1.61 -0.25 0.02 0.00 0.00 175.26 176.25 2bdi n ASP 21 N -0.20 3.00 -4.75 -0.19 9.92 -1.26 -0.18 116.55 122.89 2bdi n ASP 21 Ca -0.06 1.07 -0.36 0.00 -0.53 0.00 0.00 54.79 54.91 2bdi n ASP 21 Cb 0.63 -1.39 0.04 0.00 -0.64 0.00 0.00 41.12 39.76 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 -1.49 6.40 -0.42 0.00 0.15 -1.26 -4.83 113.70 112.25 2bdi s SER 23 Ca 0.77 2.04 -0.39 0.00 0.70 0.00 0.00 55.95 59.08 2bdi s SER 23 Cb -0.32 -2.53 -0.16 0.00 -1.71 0.00 0.00 66.02 61.29 2bdi s SER 23 CO 0.35 -1.17 1.41 -2.65 1.20 0.00 0.00 173.24 172.38 2bdi n PRO 24 N 7.56 0.00 -1.50 5.44 -0.02 -1.26 0.90 135.00 146.12 2bdi n PRO 24 Ca 0.20 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.57 2bdi n PRO 24 Cb 0.44 -1.25 -0.04 0.00 -0.02 0.00 0.00 33.50 32.64 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 3.85 -0.11 0.83 6.00 8.25 -1.26 -4.89 115.22 127.89 2bdi n HIS 25 Ca 0.29 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.88 2bdi n HIS 25 Cb -0.05 -2.08 0.53 0.00 1.12 0.00 0.00 29.99 29.51 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 0.27 0.20 -3.26 0.41 3.41 0.26 -3.97 113.62 110.93 2bdi n SER 26 Ca -0.11 0.52 -0.25 0.00 -0.26 0.00 0.00 58.87 58.78 2bdi n SER 26 Cb 0.40 -0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.69 1.58 0.00 4.33 1.13 -1.26 -4.97 117.38 116.50 2bdi n GLN 27 Ca 0.06 -3.89 0.00 0.00 -1.94 0.00 0.00 57.00 51.23 2bdi n GLN 27 Cb 0.33 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.97 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 1.00 0.00 0.00 -1.09 -0.04 -1.25 -1.45 135.00 132.16 2bdi n PRO 28 Ca 0.25 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.25 2bdi n PRO 28 Cb 0.49 -1.51 0.23 0.00 -0.04 0.00 0.00 33.50 32.67 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 -2.00 0.54 2.14 -1.04 -2.11 117.44 113.55 2bdi n TRP 29 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2bdi n TRP 29 Cb 0.01 -0.14 -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 -2.74 4.24 -0.13 -2.67 2.00 -0.53 -1.10 119.66 118.73 2bdi s GLN 30 Ca 0.17 2.26 0.01 0.00 -2.00 0.00 0.00 55.36 55.80 2bdi s GLN 30 Cb 0.18 -3.34 -0.01 0.00 0.80 0.00 0.00 33.01 30.64 2bdi s GLN 30 CO 0.63 -0.61 -0.16 0.00 -0.50 0.00 0.00 175.29 174.65 2bdi s ALA 31 N 1.68 2.48 -0.10 1.58 0.00 -0.01 -4.33 121.76 123.05 2bdi s ALA 31 Ca 0.70 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 2bdi s ALA 31 Cb -0.40 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 2bdi s ALA 31 CO 0.31 0.19 0.20 0.00 0.00 0.00 0.00 175.76 176.46 2bdi s ALA 32 N 0.47 3.82 -0.27 0.00 0.00 -0.58 -0.11 121.76 125.09 2bdi s ALA 32 Ca -0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2bdi s ALA 32 Cb -0.16 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.90 2bdi s ALA 32 CO 0.05 0.55 -0.02 -0.51 0.00 0.00 0.00 175.76 175.83 2bdi s LEU 33 N -0.92 3.48 0.07 0.00 1.02 -0.60 -0.74 118.68 120.99 2bdi s LEU 33 Ca 0.17 -0.92 0.07 0.00 0.02 0.00 0.00 54.13 53.47 2bdi s LEU 33 Cb -0.13 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.32 2bdi s LEU 33 CO 0.06 -0.17 -0.15 0.68 0.02 0.00 0.00 176.35 176.78 2bdi s VAL 34 N 1.35 2.99 0.00 -1.59 -7.23 -1.14 -1.22 120.40 113.57 2bdi s VAL 34 Ca -0.00 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2bdi s VAL 34 Cb -0.17 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2bdi s VAL 34 CO -0.02 0.24 0.00 0.23 -0.31 0.00 0.00 175.10 175.24 2bdi n MET 35 N 1.21 3.82 -0.24 4.82 2.81 0.89 -3.80 117.12 126.63 2bdi n MET 35 Ca -0.15 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.68 2bdi n MET 35 Cb 0.52 0.00 -0.05 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 -0.24 -0.50 0.03 4.71 -1.26 -3.58 120.64 119.80 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 -1.26 -0.00 0.00 -1.01 0.00 0.00 31.44 29.17 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 -4.72 -0.00 -4.13 1.62 4.13 -1.26 -5.13 115.26 105.76 2bdi n ASN 37 Ca 0.02 -1.15 -0.09 0.00 1.68 0.00 0.00 54.58 55.04 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 0.74 0.07 3.52 2.12 -1.23 -5.13 118.70 118.79 2bdi s GLU 38 Ca 0.00 -1.29 -0.25 0.00 0.36 0.00 0.00 54.97 53.78 2bdi s GLU 38 Cb 0.00 0.04 -0.06 0.00 0.26 0.00 0.00 34.13 34.37 2bdi s GLU 38 CO -0.00 -0.09 0.79 -1.17 -0.54 0.00 0.00 175.26 174.25 2bdi s LEU 40 N -2.99 4.48 0.00 2.70 1.98 -1.26 -0.08 118.68 123.52 2bdi s LEU 40 Ca 0.11 1.52 0.00 0.00 -2.89 0.00 0.00 54.13 52.87 2bdi s LEU 40 Cb 0.07 -3.28 0.00 0.00 0.66 0.00 0.00 46.19 43.64 2bdi s LEU 40 CO -0.07 0.04 0.00 2.22 -1.89 0.00 0.00 176.35 176.66 2bdi n PHE 41 N 2.57 0.00 -3.64 5.38 -1.74 -0.35 -4.94 117.46 114.74 2bdi n PHE 41 Ca -0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.85 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 -2.13 0.93 0.32 0.00 0.01 -0.49 -1.56 113.70 110.78 2bdi s SER 43 Ca 0.11 -1.55 -0.09 0.00 1.31 0.00 0.00 55.95 55.72 2bdi s SER 43 Cb -0.01 0.44 0.01 0.00 0.21 0.00 0.00 66.02 66.67 2bdi s SER 43 CO 0.03 -0.93 0.55 -0.83 0.41 0.00 0.00 173.24 172.47 2bdi s GLY 44 N -3.27 0.88 -0.07 3.44 0.00 0.84 -4.16 107.32 104.97 2bdi s GLY 44 Ca 0.39 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 44.03 2bdi s GLY 44 CO 0.19 -0.70 -0.12 0.14 0.00 0.00 0.00 173.10 172.61 2bdi s VAL 45 N -3.26 1.13 -0.58 1.40 1.01 0.36 -0.83 120.40 119.63 2bdi s VAL 45 Ca 0.24 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 2bdi s VAL 45 Cb -0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2bdi s VAL 45 CO 0.14 0.36 1.72 -0.22 0.00 0.00 0.00 175.10 177.10 2bdi s LEU 46 N 0.74 3.32 0.00 3.92 2.96 -0.25 0.48 118.68 129.85 2bdi s LEU 46 Ca -0.13 0.37 0.20 0.00 -0.22 0.00 0.00 54.13 54.35 2bdi s LEU 46 Cb -0.16 -2.74 0.36 0.00 0.50 0.00 0.00 46.19 44.15 2bdi s LEU 46 CO 0.03 -2.14 1.31 1.33 -1.32 0.00 0.00 176.35 175.56 2bdi n VAL 47 N 7.10 0.47 -3.59 1.68 0.24 -0.94 -1.49 118.33 121.79 2bdi n VAL 47 Ca 0.18 -0.73 -0.06 0.00 -2.04 0.00 0.00 64.34 61.69 2bdi n VAL 47 Cb 0.51 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 -1.39 -0.18 0.38 6.34 5.65 -1.18 -4.74 115.29 120.17 2bdi s HIS 48 Ca 0.33 0.21 0.13 0.00 0.25 0.00 0.00 55.06 55.98 2bdi s HIS 48 Cb 0.20 0.50 0.94 0.00 -1.18 0.00 0.00 32.58 33.04 2bdi s HIS 48 CO 0.28 -0.22 1.85 -1.35 -0.65 0.00 0.00 174.74 174.64 2bdi h PRO 49 N 2.13 0.54 -0.16 2.88 0.11 -1.92 -2.56 132.00 133.02 2bdi h PRO 49 Ca -0.12 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.93 2bdi h PRO 49 Cb 1.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2bdi h PRO 49 CO 0.25 0.36 -0.05 0.94 -0.21 0.00 0.00 178.00 179.28 2bdi n GLN 50 N -4.56 2.05 -3.76 1.05 7.27 -1.26 -1.63 117.38 116.53 2bdi n GLN 50 Ca 0.19 -2.84 -0.14 0.00 0.07 0.00 0.00 57.00 54.27 2bdi n GLN 50 Cb 0.60 -1.70 -0.15 0.00 2.41 0.00 0.00 30.24 31.39 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 -2.95 -0.06 -0.19 3.69 0.52 -0.97 -1.12 118.94 117.87 2bdi s TRP 51 Ca 0.39 0.30 -0.02 0.00 0.02 0.00 0.00 56.10 56.78 2bdi s TRP 51 Cb 0.33 -0.17 -0.01 0.00 -1.15 0.00 0.00 33.47 32.47 2bdi s TRP 51 CO 0.04 -0.13 -0.08 0.08 0.02 0.00 0.00 176.95 176.88 2bdi s VAL 52 N 1.14 3.21 0.15 4.03 1.01 0.79 -2.22 120.40 128.51 2bdi s VAL 52 Ca -0.09 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 2bdi s VAL 52 Cb -0.12 -2.42 -0.07 0.00 0.00 0.00 0.00 36.38 33.77 2bdi s VAL 52 CO -0.04 0.47 0.62 -0.22 0.00 0.00 0.00 175.10 175.93 2bdi s LEU 53 N 1.05 4.42 0.00 3.92 2.96 0.18 -0.16 118.68 131.05 2bdi s LEU 53 Ca 0.00 1.28 -0.14 0.00 -0.22 0.00 0.00 54.13 55.05 2bdi s LEU 53 Cb -0.15 -3.24 0.05 0.00 0.50 0.00 0.00 46.19 43.35 2bdi s LEU 53 CO -0.01 0.15 0.72 -0.24 -1.32 0.00 0.00 176.35 175.65 2bdi n SER 54 N 1.14 -1.86 -4.71 3.68 2.88 0.56 0.14 113.62 115.44 2bdi n SER 54 Ca -0.06 -2.23 -0.41 0.00 -1.33 0.00 0.00 58.87 54.84 2bdi n SER 54 Cb 0.51 3.09 -0.04 0.00 -0.75 0.00 0.00 64.21 67.02 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 -1.91 3.32 0.45 -1.46 0.00 -1.26 0.11 121.76 121.00 2bdi s ALA 55 Ca 0.15 0.24 0.27 0.00 0.00 0.00 0.00 51.96 52.62 2bdi s ALA 55 Cb -0.04 -3.12 1.32 0.00 0.00 0.00 0.00 23.12 21.28 2bdi s ALA 55 CO 0.09 -0.25 1.74 0.00 0.00 0.00 0.00 175.76 177.35 2bdi h ALA 56 N 6.88 2.64 0.00 0.00 0.00 -1.62 0.13 119.26 127.29 2bdi h ALA 56 Ca -0.39 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2bdi h ALA 56 Cb 1.19 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2bdi h ALA 56 CO 0.77 -1.08 0.00 -2.39 0.00 0.00 0.00 179.25 176.55 2bdi n HIS 57 N -4.49 0.00 -0.11 0.00 1.44 -1.26 -2.40 115.22 108.40 2bdi n HIS 57 Ca 0.28 -0.06 0.00 0.00 -2.01 0.00 0.00 57.72 55.93 2bdi n HIS 57 Cb 1.13 -0.10 0.00 0.00 0.12 0.00 0.00 29.99 31.14 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 -0.07 0.99 -4.17 0.00 7.35 -1.01 -5.02 117.46 115.53 2bdi n PHE 59 Ca 0.00 0.75 -0.14 0.00 -0.76 0.00 0.00 57.45 57.30 2bdi n PHE 59 Cb 0.07 -2.21 -0.08 0.00 0.35 0.00 0.00 39.48 37.61 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 -1.24 1.53 0.08 -4.13 -1.52 -1.26 -5.05 119.66 108.07 2bdi s GLN 60 Ca 0.62 -1.69 0.12 0.00 -1.95 0.00 0.00 55.36 52.46 2bdi s GLN 60 Cb -0.77 0.35 -0.16 0.00 -0.22 0.00 0.00 33.01 32.21 2bdi s GLN 60 CO 0.58 -0.57 1.04 -0.91 -0.25 0.00 0.00 175.29 175.17 2bdi h ASN 61 N 2.34 0.00 -4.06 5.90 2.35 -1.95 -3.46 115.58 116.70 2bdi h ASN 61 Ca -0.30 0.00 -0.11 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 0.43 0.85 -0.20 -0.94 -1.65 0.00 0.00 177.43 175.93 2bdi s SER 62 N -6.32 -0.43 0.25 5.81 1.04 -1.26 -4.59 113.70 108.20 2bdi s SER 62 Ca -0.01 0.78 0.11 0.00 0.48 0.00 0.00 55.95 57.31 2bdi s SER 62 Cb 0.09 0.81 -0.05 0.00 0.10 0.00 0.00 66.02 66.97 2bdi s SER 62 CO 0.81 -0.20 -0.15 -0.31 0.98 0.00 0.00 173.24 174.36 2bdi s TYR 63 N -0.01 2.42 -0.59 5.02 1.51 -0.04 -5.01 117.35 120.66 2bdi s TYR 63 Ca -0.02 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.78 2bdi s TYR 63 Cb -0.03 -1.09 0.15 0.00 -0.11 0.00 0.00 41.96 40.88 2bdi s TYR 63 CO 0.01 0.64 0.36 0.99 -1.11 0.00 0.00 175.55 176.45 2bdi s THR 64 N -2.25 2.51 0.08 -0.71 2.01 -1.25 -2.56 115.64 113.48 2bdi s THR 64 Ca 0.28 -3.64 -0.30 0.00 0.31 0.00 0.00 61.69 58.34 2bdi s THR 64 Cb -0.06 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 2bdi s THR 64 CO 0.15 -0.92 0.99 -0.63 -0.69 0.00 0.00 174.62 173.52 2bdi s ILE 65 N -0.73 4.53 -0.25 1.82 1.01 -1.04 -2.86 121.20 123.68 2bdi s ILE 65 Ca 0.21 2.01 -0.05 0.00 0.00 0.00 0.00 60.65 62.82 2bdi s ILE 65 Cb -0.15 -4.29 -0.00 0.00 0.01 0.00 0.00 42.46 38.03 2bdi s ILE 65 CO -0.08 0.26 0.01 -0.83 0.00 0.00 0.00 174.94 174.30 2bdi s GLY 66 N 0.30 1.69 0.23 6.18 0.00 0.08 -1.57 107.32 114.23 2bdi s GLY 66 Ca 0.49 -1.27 0.06 0.00 0.00 0.00 0.00 44.72 44.00 2bdi s GLY 66 CO 0.30 0.52 0.22 1.08 0.00 0.00 0.00 173.10 175.21 2bdi s LEU 67 N 1.49 3.93 -1.56 0.66 1.43 -0.56 -1.52 118.68 122.56 2bdi s LEU 67 Ca 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2bdi s LEU 67 Cb -0.15 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.58 2bdi s LEU 67 CO -0.01 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.16 2bdi n GLY 69 N -1.03 1.48 3.94 -3.19 0.00 -1.26 -1.88 105.19 103.25 2bdi n GLY 69 Ca -0.08 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.34 2.83 0.00 0.99 1.43 -1.26 -4.08 118.68 115.25 2bdi s LEU 70 Ca 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2bdi s LEU 70 Cb 0.00 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2bdi s LEU 70 CO 0.00 -1.91 0.00 1.57 0.23 0.00 0.00 176.35 176.24 2bdi n HIS 71 N -3.09 -0.12 -4.32 0.29 -0.00 -1.26 -4.64 115.22 102.08 2bdi n HIS 71 Ca 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.58 2bdi n HIS 71 Cb 0.60 0.04 -0.09 0.00 -0.00 0.00 0.00 29.99 30.55 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 -2.00 4.23 0.54 0.26 1.04 -1.26 -1.10 113.70 115.41 2bdi s SER 72 Ca 0.00 -0.66 0.32 0.00 0.48 0.00 0.00 55.95 56.10 2bdi s SER 72 Cb 0.00 -0.69 1.44 0.00 0.10 0.00 0.00 66.02 66.87 2bdi s SER 72 CO 0.00 0.07 2.02 -0.07 0.98 0.00 0.00 173.24 176.24 2bdi h LEU 73 N 2.56 0.00 -7.73 2.42 3.38 -1.95 -3.38 115.31 110.61 2bdi h LEU 73 Ca -0.45 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.22 2bdi h LEU 73 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2bdi h LEU 73 CO 0.56 0.06 0.95 -0.62 0.09 0.00 0.00 178.44 179.48 2bdi n GLU 74 N -3.22 1.02 -0.31 1.13 -0.58 -1.26 -4.81 120.64 112.60 2bdi n GLU 74 Ca -0.00 -2.05 0.17 0.00 -0.42 0.00 0.00 57.16 54.86 2bdi n GLU 74 Cb 0.29 -3.59 0.35 0.00 -0.57 0.00 0.00 31.44 27.92 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 1.45 -0.14 0.62 0.00 -1.95 -2.03 119.26 127.28 2bdi h ALA 74 Ca 0.19 0.25 -0.21 0.00 0.00 0.00 0.00 54.91 55.14 2bdi h ALA 74 Cb 0.90 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 2bdi h ALA 74 CO 1.33 -0.56 -0.08 -0.40 0.00 0.00 0.00 179.25 179.54 2bdi n ASP 75 N -5.26 5.60 0.00 0.00 5.75 -1.26 -2.09 116.55 119.28 2bdi n ASP 75 Ca 0.25 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 2bdi n ASP 75 Cb 0.81 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 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 1.75 0.00 -3.95 0.11 6.02 -0.76 -5.05 117.38 115.50 2bdi n GLN 76 Ca 0.32 -0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 57.00 2bdi n GLN 76 Cb 0.72 -0.15 -0.16 0.00 1.02 0.00 0.00 30.24 31.66 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 1.78 0.00 -1.09 0.41 -0.89 -5.03 118.70 113.89 2bdi s GLU 77 Ca 0.00 -0.60 0.00 0.00 -0.41 0.00 0.00 54.97 53.96 2bdi s GLU 77 Cb 0.00 -2.11 0.00 0.00 -1.78 0.00 0.00 34.13 30.24 2bdi s GLU 77 CO 0.00 -0.38 0.00 -2.30 -0.49 0.00 0.00 175.26 172.09 2bdi n PRO 78 N 4.80 0.00 0.00 0.39 -0.02 -1.26 -2.88 135.00 136.03 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 0.48 -0.20 0.00 0.00 -0.02 0.00 0.00 33.50 33.76 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 3.75 -1.23 0.00 -1.26 -4.75 105.19 101.70 2bdi n GLY 79 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.64 5.29 -0.13 1.61 1.04 -1.14 -4.73 113.70 114.00 2bdi s SER 80 Ca 0.00 2.66 -0.04 0.00 0.48 0.00 0.00 55.95 59.06 2bdi s SER 80 Cb 0.00 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.55 2bdi s SER 80 CO 0.00 -1.54 0.10 -1.10 0.98 0.00 0.00 173.24 171.68 2bdi s GLN 81 N -2.97 0.03 -1.26 4.02 -0.21 -0.79 -4.99 119.66 113.49 2bdi s GLN 81 Ca 0.72 0.15 -0.14 0.00 0.02 0.00 0.00 55.36 56.12 2bdi s GLN 81 Cb -0.38 -1.22 0.14 0.00 1.00 0.00 0.00 33.01 32.55 2bdi s GLN 81 CO 0.44 -0.53 1.66 -1.33 -2.12 0.00 0.00 175.29 173.40 2bdi n MET 82 N 5.29 3.36 -1.42 2.91 2.81 -1.26 -1.49 117.12 127.31 2bdi n MET 82 Ca -0.05 -3.57 -0.30 0.00 -1.81 0.00 0.00 57.70 51.96 2bdi n MET 82 Cb 0.49 -3.12 0.23 0.00 -0.71 0.00 0.00 33.22 30.11 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 1.73 0.09 2.03 -7.23 -0.61 -4.89 120.40 113.45 2bdi s VAL 83 Ca 0.45 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.65 2bdi s VAL 83 Cb 0.03 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2bdi s VAL 83 CO 0.01 0.00 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.10 2bdi s GLU 84 N -5.64 0.80 0.17 4.82 2.02 -1.26 -2.48 118.70 117.12 2bdi s GLU 84 Ca 0.73 -1.14 -0.22 0.00 0.02 0.00 0.00 54.97 54.36 2bdi s GLU 84 Cb -0.06 -0.43 0.06 0.00 0.10 0.00 0.00 34.13 33.80 2bdi s GLU 84 CO 0.55 0.05 0.58 0.00 0.02 0.00 0.00 175.26 176.47 2bdi s ALA 85 N -2.56 -1.46 0.00 5.21 0.00 -1.06 -1.03 121.76 120.86 2bdi s ALA 85 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2bdi s ALA 85 Cb -0.02 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2bdi s ALA 85 CO -0.01 -0.78 0.00 -1.13 0.00 0.00 0.00 175.76 173.84 2bdi n SER 86 N -0.37 0.00 -4.58 0.00 3.41 -1.26 -0.86 113.62 109.96 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 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.14 3.91 0.01 1.04 0.20 -1.26 -4.67 118.68 117.77 2bdi s LEU 87 Ca 0.00 0.31 0.09 0.00 0.69 0.00 0.00 54.13 55.21 2bdi s LEU 87 Cb 0.00 -3.30 -0.02 0.00 -0.43 0.00 0.00 46.19 42.43 2bdi s LEU 87 CO 0.00 -1.07 -0.26 -0.94 -0.29 0.00 0.00 176.35 173.79 2bdi s SER 88 N 2.23 3.11 -0.27 3.68 1.04 -1.26 -0.66 113.70 121.57 2bdi s SER 88 Ca 0.40 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 56.32 2bdi s SER 88 Cb -0.10 -0.31 0.07 0.00 0.10 0.00 0.00 66.02 65.78 2bdi s SER 88 CO 0.26 0.29 -0.04 -0.69 0.98 0.00 0.00 173.24 174.04 2bdi s VAL 89 N -0.71 1.86 0.55 5.02 1.01 0.13 -4.98 120.40 123.27 2bdi s VAL 89 Ca 0.11 -1.62 -0.16 0.00 0.00 0.00 0.00 61.98 60.31 2bdi s VAL 89 Cb -0.10 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 2bdi s VAL 89 CO 0.01 -0.23 1.01 -0.13 0.00 0.00 0.00 175.10 175.76 2bdi s ARG 90 N 1.21 3.69 0.27 2.72 0.52 -1.26 -1.49 118.95 124.60 2bdi s ARG 90 Ca -0.02 1.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.93 2bdi s ARG 90 Cb -0.19 -2.09 -0.10 0.00 0.52 0.00 0.00 34.95 33.09 2bdi s ARG 90 CO -0.08 -0.49 1.34 -1.58 0.02 0.00 0.00 175.30 174.51 2bdi s HIS 91 N -2.59 3.12 0.25 -0.53 5.65 -0.79 -4.92 115.29 115.49 2bdi s HIS 91 Ca 0.60 1.26 -0.10 0.00 0.25 0.00 0.00 55.06 57.07 2bdi s HIS 91 Cb -0.12 -3.68 0.37 0.00 -1.18 0.00 0.00 32.58 27.96 2bdi s HIS 91 CO 0.35 -2.03 1.46 -2.30 -0.65 0.00 0.00 174.74 171.56 2bdi n PRO 92 N 1.77 -0.13 -0.21 2.88 -0.02 -1.26 -1.10 135.00 136.94 2bdi n PRO 92 Ca 0.04 1.45 0.04 0.00 -2.02 0.00 0.00 63.50 63.01 2bdi n PRO 92 Cb 0.42 -2.17 0.13 0.00 -0.02 0.00 0.00 33.50 31.86 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 -5.48 1.93 -1.64 -0.52 -0.58 -1.26 -4.98 120.64 108.12 2bdi n GLU 93 Ca 0.13 -1.05 -0.40 0.00 -0.42 0.00 0.00 57.16 55.43 2bdi n GLU 93 Cb 0.44 -1.43 0.03 0.00 -0.57 0.00 0.00 31.44 29.91 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 0.27 1.36 -1.41 -0.32 9.36 -0.26 -1.97 117.16 124.20 2bdi n TYR 94 Ca 0.10 0.49 -0.15 0.00 3.32 0.00 0.00 57.90 61.66 2bdi n TYR 94 Cb 0.37 -2.24 -0.06 0.00 -0.63 0.00 0.00 39.34 36.77 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 -0.10 -5.13 -3.57 2.98 2.85 0.14 -4.93 115.26 107.50 2bdi n ASN 95 Ca 0.10 0.37 -0.29 0.00 -0.11 0.00 0.00 54.58 54.65 2bdi n ASN 95 Cb 0.42 -4.21 -0.14 0.00 1.24 0.00 0.00 39.78 37.09 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 -3.22 0.39 0.99 1.20 1.81 -0.83 -2.83 118.95 116.45 2bdi s ARG 96 Ca 0.00 -0.82 -0.13 0.00 -1.72 0.00 0.00 55.73 53.06 2bdi s ARG 96 Cb 0.00 -1.37 0.19 0.00 -0.45 0.00 0.00 34.95 33.31 2bdi s ARG 96 CO 0.00 -1.05 1.10 -2.14 -0.68 0.00 0.00 175.30 172.53 2bdi s PRO 97 N 1.77 0.47 -0.08 3.54 0.02 -1.26 -4.87 135.00 134.58 2bdi s PRO 97 Ca 0.11 0.42 -0.39 0.00 0.02 0.00 0.00 61.00 61.16 2bdi s PRO 97 Cb -0.18 -1.75 -0.17 0.00 0.02 0.00 0.00 34.50 32.42 2bdi s PRO 97 CO -0.27 -2.68 1.42 -0.11 -0.33 0.00 0.00 177.00 175.03 2bdi n LEU 98 N -4.13 1.49 0.00 -5.54 7.94 -1.13 -0.49 117.00 115.14 2bdi n LEU 98 Ca 0.05 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 2bdi n LEU 98 Cb 0.58 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.43 2bdi n LEU 98 CO 0.57 -1.03 0.00 0.18 -1.11 0.00 0.00 177.39 176.01 2bdi n LEU 99 N 3.22 0.00 -4.71 -1.96 4.77 -1.26 -4.95 117.00 112.11 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 0.13 -0.01 0.19 0.00 -2.33 0.00 0.00 43.42 41.40 2bdi n LEU 99 CO 0.70 0.00 0.68 0.00 -1.33 0.00 0.00 177.39 177.44 2bdi s ALA 100 N -1.77 1.21 -1.62 -1.18 0.00 0.35 -4.15 121.76 114.60 2bdi s ALA 100 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 2bdi s ALA 100 Cb 0.00 -2.97 0.08 0.00 0.00 0.00 0.00 23.12 20.23 2bdi s ALA 100 CO 0.00 -2.91 0.32 0.09 0.00 0.00 0.00 175.76 173.26 2bdi n ASN 101 N -4.22 -0.49 -2.61 0.00 4.13 -1.26 -0.69 115.26 110.13 2bdi n ASN 101 Ca 0.10 -1.18 -0.24 0.00 1.68 0.00 0.00 54.58 54.93 2bdi n ASN 101 Cb 0.59 -2.03 -0.10 0.00 -1.54 0.00 0.00 39.78 36.69 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 -2.78 6.80 -4.29 6.41 2.03 -1.26 -4.20 116.55 119.25 2bdi n ASP 102 Ca -0.17 -2.51 -0.22 0.00 0.52 0.00 0.00 54.79 52.40 2bdi n ASP 102 Cb 0.61 -1.47 -0.12 0.00 -0.72 0.00 0.00 41.12 39.42 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 0.08 2.35 -0.11 -2.67 2.34 -1.26 -2.62 118.68 116.78 2bdi s LEU 103 Ca 0.68 -0.75 -0.07 0.00 0.06 0.00 0.00 54.13 54.04 2bdi s LEU 103 Cb 0.25 -0.82 0.04 0.00 -0.56 0.00 0.00 46.19 45.10 2bdi s LEU 103 CO -0.03 0.01 0.27 -0.32 -1.06 0.00 0.00 176.35 175.22 2bdi s MET 104 N -2.26 0.27 -0.16 1.48 1.75 0.29 -1.88 119.30 118.80 2bdi s MET 104 Ca 0.09 0.50 -0.15 0.00 -1.25 0.00 0.00 55.69 54.88 2bdi s MET 104 Cb -0.08 0.00 -0.04 0.00 2.84 0.00 0.00 34.83 37.55 2bdi s MET 104 CO 0.05 -0.11 0.34 -0.51 -0.65 0.00 0.00 175.02 174.14 2bdi s LEU 105 N 0.82 4.23 -0.22 4.11 1.43 -0.56 -0.33 118.68 128.17 2bdi s LEU 105 Ca -0.06 0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 53.53 2bdi s LEU 105 Cb -0.07 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 2bdi s LEU 105 CO -0.05 0.05 0.03 -0.63 0.23 0.00 0.00 176.35 175.98 2bdi s ILE 106 N 0.67 4.18 -0.25 -0.59 1.01 0.77 0.18 121.20 127.17 2bdi s ILE 106 Ca 0.18 -0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.42 2bdi s ILE 106 Cb -0.14 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 2bdi s ILE 106 CO 0.06 0.40 0.52 -0.75 0.00 0.00 0.00 174.94 175.16 2bdi s LYS 107 N 1.16 4.10 0.39 2.79 2.20 0.16 -0.15 119.74 130.40 2bdi s LYS 107 Ca 0.04 0.35 -0.25 0.00 -0.36 0.00 0.00 55.97 55.75 2bdi s LYS 107 Cb -0.14 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.46 2bdi s LYS 107 CO 0.02 -0.30 1.09 -0.51 -0.36 0.00 0.00 175.35 175.29 2bdi s LEU 108 N 2.14 4.19 0.07 5.43 1.43 -0.28 -4.04 118.68 127.62 2bdi s LEU 108 Ca 0.22 2.14 -0.33 0.00 -1.03 0.00 0.00 54.13 55.14 2bdi s LEU 108 Cb -0.16 -4.09 -0.17 0.00 0.03 0.00 0.00 46.19 41.81 2bdi s LEU 108 CO 0.09 -0.52 1.50 0.44 0.23 0.00 0.00 176.35 178.10 2bdi h ASP 109 N 2.66 -1.16 -3.42 2.29 3.45 -1.43 -3.39 116.42 115.42 2bdi h ASP 109 Ca -0.48 0.07 -0.65 0.00 0.43 0.00 0.00 57.03 56.40 2bdi h ASP 109 Cb 1.22 0.35 -0.26 0.00 -0.56 0.00 0.00 39.33 40.08 2bdi h ASP 109 CO 0.63 -0.65 -0.70 -0.70 -1.57 0.00 0.00 179.24 176.24 2bdi s GLU 110 N -5.58 3.47 0.24 3.56 2.12 -1.26 -5.08 118.70 116.17 2bdi s GLU 110 Ca -0.17 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 2bdi s GLU 110 Cb 0.03 -3.02 -0.14 0.00 0.26 0.00 0.00 34.13 31.25 2bdi s GLU 110 CO 0.53 -0.10 1.12 0.45 -0.54 0.00 0.00 175.26 176.72 2bdi n SER 111 N 4.54 1.51 -4.96 -1.70 2.88 -1.26 -4.96 113.62 109.68 2bdi n SER 111 Ca -0.18 1.16 -0.22 0.00 -1.33 0.00 0.00 58.87 58.30 2bdi n SER 111 Cb 0.51 -1.28 -0.00 0.00 -0.75 0.00 0.00 64.21 62.69 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 -0.62 4.47 -0.28 2.46 -7.23 -0.65 -4.97 120.40 113.58 2bdi s VAL 112 Ca 0.65 -0.60 -0.08 0.00 -1.81 0.00 0.00 61.98 60.14 2bdi s VAL 112 Cb -0.75 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 32.56 2bdi s VAL 112 CO 0.56 -0.38 0.11 -0.44 -0.31 0.00 0.00 175.10 174.63 2bdi s SER 113 N -4.13 5.31 -0.67 4.85 0.01 -1.26 -4.82 113.70 112.99 2bdi s SER 113 Ca 0.44 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 56.97 2bdi s SER 113 Cb -0.10 -1.95 -0.13 0.00 0.21 0.00 0.00 66.02 64.05 2bdi s SER 113 CO 0.36 -0.13 2.51 -0.62 0.41 0.00 0.00 173.24 175.76 2bdi n GLU 114 N 4.94 0.65 -0.17 12.44 1.02 -1.26 -4.90 120.64 133.35 2bdi n GLU 114 Ca -0.15 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2bdi n GLU 114 Cb 0.50 -2.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 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 13.31 0.00 -0.05 1.62 3.41 -0.40 -4.93 113.62 126.58 2bdi n SER 115 Ca 0.49 -0.26 -0.16 0.00 -0.26 0.00 0.00 58.87 58.68 2bdi n SER 115 Cb 0.32 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.93 -0.52 4.04 -0.00 -1.95 -3.22 116.42 115.69 2bdi h ASP 116 Ca 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 57.03 56.45 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 -4.01 0.92 -3.55 2.25 -2.24 -1.26 -4.81 114.28 101.57 2bdi n THR 117 Ca -0.06 -0.96 -0.29 0.00 -2.27 0.00 0.00 64.05 60.47 2bdi n THR 117 Cb 0.67 0.57 -0.14 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.04 0.27 0.12 2.28 1.01 -1.22 -4.04 121.20 118.59 2bdi s ILE 118 Ca 0.37 -1.36 0.06 0.00 0.00 0.00 0.00 60.65 59.72 2bdi s ILE 118 Cb 0.19 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 2bdi s ILE 118 CO 0.26 -0.83 -0.14 -0.60 0.00 0.00 0.00 174.94 173.62 2bdi s ARG 119 N 1.50 1.02 0.44 2.79 3.52 -0.90 -1.28 118.95 126.04 2bdi s ARG 119 Ca 0.13 -1.22 -0.04 0.00 -0.13 0.00 0.00 55.73 54.48 2bdi s ARG 119 Cb -0.19 -0.92 -0.04 0.00 -1.56 0.00 0.00 34.95 32.24 2bdi s ARG 119 CO -0.18 0.18 0.71 -1.54 -0.81 0.00 0.00 175.30 173.66 2bdi s SER 120 N -2.39 6.27 0.21 -2.12 1.04 -1.26 -2.51 113.70 112.94 2bdi s SER 120 Ca 0.08 0.78 0.10 0.00 0.48 0.00 0.00 55.95 57.40 2bdi s SER 120 Cb -0.05 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 2bdi s SER 120 CO 0.03 -0.49 -0.19 -0.51 0.98 0.00 0.00 173.24 173.06 2bdi s ILE 121 N -2.61 2.08 0.12 -1.02 2.07 -0.56 -4.91 121.20 116.38 2bdi s ILE 121 Ca 0.45 -2.11 0.02 0.00 -1.41 0.00 0.00 60.65 57.60 2bdi s ILE 121 Cb -0.10 -2.05 -0.04 0.00 0.13 0.00 0.00 42.46 40.40 2bdi s ILE 121 CO 0.42 -0.34 0.27 -0.94 -1.91 0.00 0.00 174.94 172.44 2bdi s SER 122 N -2.98 6.35 -0.06 4.50 1.04 -1.26 -4.48 113.70 116.81 2bdi s SER 122 Ca 0.21 0.21 -0.22 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 64.10 2bdi s SER 122 CO 0.09 0.08 0.64 -0.63 0.98 0.00 0.00 173.24 174.41 2bdi s ILE 123 N -1.68 5.05 0.28 -1.02 1.01 -1.26 -0.56 121.20 123.02 2bdi s ILE 123 Ca 0.35 1.32 -0.30 0.00 0.00 0.00 0.00 60.65 62.02 2bdi s ILE 123 Cb -0.12 -3.98 -0.13 0.00 0.01 0.00 0.00 42.46 38.24 2bdi s ILE 123 CO 0.28 0.29 1.35 0.00 0.00 0.00 0.00 174.94 176.86 2bdi n ALA 124 N 3.58 1.13 0.21 9.38 0.00 0.65 -4.80 120.51 130.66 2bdi n ALA 124 Ca -0.03 0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.91 2bdi n ALA 124 Cb 0.51 -2.26 -0.13 0.00 0.00 0.00 0.00 19.45 17.57 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 1.60 0.28 -4.87 0.00 3.41 -1.26 -4.21 113.62 108.57 2bdi n SER 125 Ca 0.09 -0.15 -0.34 0.00 -0.26 0.00 0.00 58.87 58.21 2bdi n SER 125 Cb 0.33 1.62 -0.05 0.00 -0.26 0.00 0.00 64.21 65.85 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 -3.40 3.80 0.34 4.33 0.74 -1.26 -4.89 119.66 119.33 2bdi s GLN 127 Ca -0.04 0.23 -0.18 0.00 0.05 0.00 0.00 55.36 55.42 2bdi s GLN 127 Cb 0.14 -2.89 -0.10 0.00 1.10 0.00 0.00 33.01 31.27 2bdi s GLN 127 CO 0.89 0.48 0.81 0.00 -0.55 0.00 0.00 175.29 176.91 2bdi n PRO 129 N -0.25 0.00 -4.90 0.00 -0.02 -1.26 -4.94 135.00 123.62 2bdi n PRO 129 Ca 0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 2bdi n PRO 129 Cb 0.53 -0.76 -0.15 0.00 -0.02 0.00 0.00 33.50 33.10 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 -0.95 2.83 0.35 3.45 -4.23 -1.26 -5.09 115.64 110.75 2bdi s THR 130 Ca 0.47 -0.76 -0.27 0.00 -1.18 0.00 0.00 61.69 59.96 2bdi s THR 130 Cb -0.63 -2.15 -0.12 0.00 1.34 0.00 0.00 72.50 70.94 2bdi s THR 130 CO 0.45 0.54 1.22 0.00 -0.54 0.00 0.00 174.62 176.29 2bdi n ALA 132 N 3.29 0.95 0.00 3.99 0.00 -1.26 -1.94 120.51 125.53 2bdi n ALA 132 Ca -0.18 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2bdi n ALA 132 Cb 0.53 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 0.88 2.83 3.73 0.00 0.00 0.17 -4.91 105.19 107.88 2bdi n GLY 133 Ca 0.06 0.00 -0.42 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 0.43 3.38 -4.72 1.61 2.85 -0.82 -4.52 115.26 113.47 2bdi n ASN 134 Ca 0.00 1.18 -0.36 0.00 -0.11 0.00 0.00 54.58 55.29 2bdi n ASN 134 Cb 0.00 -1.54 -0.08 0.00 1.24 0.00 0.00 39.78 39.40 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 0.15 6.28 0.43 1.20 0.15 -1.26 -0.36 113.70 120.29 2bdi s SER 135 Ca 0.61 0.32 0.04 0.00 0.70 0.00 0.00 55.95 57.61 2bdi s SER 135 Cb -0.54 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 2bdi s SER 135 CO 0.55 0.12 0.03 0.00 1.20 0.00 0.00 173.24 175.15 2bdi s LEU 137 N -3.71 2.23 0.03 0.00 2.96 -0.43 -1.03 118.68 118.74 2bdi s LEU 137 Ca 0.24 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2bdi s LEU 137 Cb 0.06 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 2bdi s LEU 137 CO 0.12 0.10 -0.05 0.54 -1.32 0.00 0.00 176.35 175.74 2bdi s VAL 138 N -0.99 0.31 0.04 1.68 0.11 -0.27 -0.30 120.40 120.98 2bdi s VAL 138 Ca 0.06 -0.98 -0.05 0.00 -2.93 0.00 0.00 61.98 58.09 2bdi s VAL 138 Cb -0.09 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 2bdi s VAL 138 CO 0.03 -0.44 0.08 -0.94 -3.33 0.00 0.00 175.10 170.50 2bdi s SER 139 N -1.49 0.22 0.00 3.54 1.04 -1.21 -1.27 113.70 114.53 2bdi s SER 139 Ca -0.13 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2bdi s SER 139 Cb -0.10 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2bdi s SER 139 CO -0.00 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2bdi n GLY 140 N 0.63 0.07 1.36 7.32 0.00 -0.72 -4.20 105.19 109.64 2bdi n GLY 140 Ca -0.18 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.51 1.44 -1.08 1.61 8.01 -1.26 -1.70 117.44 123.96 2bdi n TRP 141 Ca 0.00 -0.77 -0.30 0.00 -1.31 0.00 0.00 57.50 55.12 2bdi n TRP 141 Cb 0.00 -0.38 0.23 0.00 -2.01 0.00 0.00 31.31 29.15 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 -1.32 1.57 0.49 6.99 0.00 -1.22 -4.31 107.32 109.53 2bdi s GLY 142 Ca 0.47 -0.83 -0.21 0.00 0.00 0.00 0.00 44.72 44.15 2bdi s GLY 142 CO 0.14 0.00 0.78 1.04 0.00 0.00 0.00 173.10 175.06 2bdi n LEU 143 N -4.67 1.76 -5.01 0.66 4.32 0.52 -3.03 117.00 111.55 2bdi n LEU 143 Ca 0.11 0.89 -0.19 0.00 -0.02 0.00 0.00 56.01 56.80 2bdi n LEU 143 Cb 0.59 -1.26 0.05 0.00 -1.62 0.00 0.00 43.42 41.18 2bdi n LEU 143 CO 0.47 -2.26 0.30 -0.76 -1.22 0.00 0.00 177.39 173.93 2bdi s LEU 144 N 0.03 3.30 0.55 2.23 1.43 0.11 -1.39 118.68 124.94 2bdi s LEU 144 Ca 0.67 -0.54 0.30 0.00 -1.03 0.00 0.00 54.13 53.53 2bdi s LEU 144 Cb -0.51 -2.19 1.46 0.00 0.03 0.00 0.00 46.19 44.99 2bdi s LEU 144 CO 0.55 -1.18 1.90 0.00 0.23 0.00 0.00 176.35 177.85 2bdi h ALA 145 N 0.24 2.63 -0.18 4.21 0.00 -1.87 0.39 119.26 124.67 2bdi h ALA 145 Ca -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2bdi h ALA 145 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2bdi h ALA 145 CO 0.43 -0.95 0.00 0.27 0.00 0.00 0.00 179.25 179.01 2bdi n ASN 146 N -4.13 1.29 -0.57 0.00 0.23 -1.26 -4.88 115.26 105.95 2bdi n ASN 146 Ca 0.15 -1.80 -0.07 0.00 -0.53 0.00 0.00 54.58 52.32 2bdi n ASN 146 Cb 0.84 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 38.39 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 0.98 0.94 3.55 4.83 0.00 0.14 -5.00 105.19 110.63 2bdi n GLY 147 Ca 0.12 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.45 2.00 0.11 1.61 3.00 -1.25 -4.75 118.95 117.22 2bdi s ARG 150 Ca 0.00 -1.15 -0.27 0.00 -1.00 0.00 0.00 55.73 53.31 2bdi s ARG 150 Cb 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 34.95 32.68 2bdi s ARG 150 CO 0.00 0.47 0.85 -1.64 0.00 0.00 0.00 175.30 174.98 2bdi s MET 151 N -2.40 4.61 0.73 5.12 -1.94 -1.26 0.05 119.30 124.20 2bdi s MET 151 Ca 0.22 1.25 -0.11 0.00 -1.71 0.00 0.00 55.69 55.33 2bdi s MET 151 Cb -0.10 -3.34 0.03 0.00 2.01 0.00 0.00 34.83 33.43 2bdi s MET 151 CO 0.13 0.34 1.08 -1.25 -0.01 0.00 0.00 175.02 175.31 2bdi s PRO 152 N -0.36 2.68 0.01 2.03 0.04 -1.26 -4.95 135.00 133.19 2bdi s PRO 152 Ca 0.41 0.66 0.16 0.00 0.04 0.00 0.00 61.00 62.27 2bdi s PRO 152 Cb -0.22 -1.98 -0.17 0.00 0.04 0.00 0.00 34.50 32.16 2bdi s PRO 152 CO 0.27 -1.21 0.72 0.25 0.04 0.00 0.00 177.00 177.07 2bdi n THR 153 N -3.16 1.26 -4.43 1.26 -2.24 -1.26 -4.95 114.28 100.76 2bdi n THR 153 Ca 0.07 -0.72 -0.21 0.00 -2.27 0.00 0.00 64.05 60.92 2bdi n THR 153 Cb 0.56 -0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.84 1.45 0.21 2.28 -7.23 -1.26 -3.86 120.40 109.15 2bdi s VAL 154 Ca -0.04 -2.07 -0.32 0.00 -1.81 0.00 0.00 61.98 57.74 2bdi s VAL 154 Cb 0.08 -2.56 -0.12 0.00 0.56 0.00 0.00 36.38 34.34 2bdi s VAL 154 CO 0.82 -0.20 1.72 -0.22 -0.31 0.00 0.00 175.10 176.91 2bdi s LEU 155 N -3.45 4.37 0.13 1.32 2.96 -0.26 -4.85 118.68 118.90 2bdi s LEU 155 Ca 0.32 2.87 -0.03 0.00 -0.22 0.00 0.00 54.13 57.07 2bdi s LEU 155 Cb 0.06 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 2bdi s LEU 155 CO 0.13 -0.97 0.33 -1.10 -1.32 0.00 0.00 176.35 173.42 2bdi s GLN 156 N 1.16 3.55 -0.02 1.98 -1.52 -0.69 -0.25 119.66 123.89 2bdi s GLN 156 Ca 0.75 -0.22 0.02 0.00 -1.95 0.00 0.00 55.36 53.96 2bdi s GLN 156 Cb -0.50 -2.90 0.00 0.00 -0.22 0.00 0.00 33.01 29.39 2bdi s GLN 156 CO 0.32 0.50 -0.08 0.00 -0.25 0.00 0.00 175.29 175.77 2bdi s VAL 158 N 0.07 0.06 -0.09 0.00 0.11 -0.39 -1.30 120.40 118.85 2bdi s VAL 158 Ca -0.01 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.51 2bdi s VAL 158 Cb -0.07 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2bdi s VAL 158 CO 0.00 -0.29 -0.04 0.20 -3.33 0.00 0.00 175.10 171.65 2bdi s ASN 159 N -2.26 4.90 0.00 3.54 -0.87 -1.26 -1.11 114.94 117.88 2bdi s ASN 159 Ca -0.03 0.02 -0.02 0.00 -1.57 0.00 0.00 52.86 51.26 2bdi s ASN 159 Cb 0.00 -1.40 -0.01 0.00 -0.02 0.00 0.00 41.25 39.83 2bdi s ASN 159 CO -0.05 0.33 0.03 0.68 -2.57 0.00 0.00 177.10 175.52 2bdi s VAL 160 N -0.62 0.07 0.10 1.60 -7.23 -0.20 -4.88 120.40 109.24 2bdi s VAL 160 Ca 0.10 -0.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2bdi s VAL 160 Cb -0.12 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.54 2bdi s VAL 160 CO 0.02 -0.32 0.14 -0.44 -0.31 0.00 0.00 175.10 174.19 2bdi s SER 161 N -0.98 5.81 0.29 4.85 0.01 -1.26 -0.99 113.70 121.43 2bdi s SER 161 Ca -0.11 0.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.91 2bdi s SER 161 Cb -0.06 -1.63 -0.10 0.00 0.21 0.00 0.00 66.02 64.43 2bdi s SER 161 CO -0.00 0.14 1.45 -0.69 0.41 0.00 0.00 173.24 174.55 2bdi s VAL 162 N -1.51 2.49 0.07 3.43 1.01 0.52 0.51 120.40 126.92 2bdi s VAL 162 Ca 0.31 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.74 2bdi s VAL 162 Cb -0.12 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2bdi s VAL 162 CO 0.24 0.08 0.20 -0.69 0.00 0.00 0.00 175.10 174.93 2bdi s VAL 163 N -0.35 5.24 0.70 2.92 1.01 -0.90 0.43 120.40 129.46 2bdi s VAL 163 Ca 0.57 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 2bdi s VAL 163 Cb -0.43 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2bdi s VAL 163 CO 0.48 0.11 1.14 -0.94 0.00 0.00 0.00 175.10 175.90 2bdi s SER 164 N -2.58 4.67 0.22 3.32 1.04 -1.26 -4.59 113.70 114.51 2bdi s SER 164 Ca 0.34 2.12 -0.09 0.00 0.48 0.00 0.00 55.95 58.80 2bdi s SER 164 Cb -0.13 -2.56 0.24 0.00 0.10 0.00 0.00 66.02 63.67 2bdi s SER 164 CO 0.27 -1.93 1.83 -0.08 0.98 0.00 0.00 173.24 174.31 2bdi h GLU 165 N -0.22 0.79 0.55 4.02 4.81 -1.98 -1.22 114.58 121.33 2bdi h GLU 165 Ca -0.47 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2bdi h GLU 165 Cb 1.26 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2bdi h GLU 165 CO 0.52 0.52 -0.44 1.49 -0.73 0.00 0.00 179.01 180.37 2bdi h GLU 166 N 0.81 -0.92 -0.84 1.92 4.81 -1.99 0.11 114.58 118.47 2bdi h GLU 166 Ca 0.31 0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.76 2bdi h GLU 166 Cb 0.12 0.21 -0.10 0.00 0.63 0.00 0.00 28.75 29.61 2bdi h GLU 166 CO -0.15 -0.62 0.41 0.28 -0.73 0.00 0.00 179.01 178.21 2bdi h VAL 167 N -0.96 0.69 0.41 0.32 2.07 -1.85 -1.61 116.25 115.33 2bdi h VAL 167 Ca -0.07 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2bdi h VAL 167 Cb 0.80 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2bdi h VAL 167 CO 0.00 0.10 -0.43 0.00 0.02 0.00 0.00 177.57 177.26 2bdi h SER 169 N -0.87 0.33 0.07 0.00 4.64 -0.44 0.90 113.55 118.18 2bdi h SER 169 Ca -0.04 -0.05 -0.22 0.00 -0.47 0.00 0.00 61.79 61.01 2bdi h SER 169 Cb 0.77 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 62.80 2bdi h SER 169 CO -0.08 0.41 -0.91 0.11 -0.87 0.00 0.00 176.83 175.49 2bdi h LYS 170 N 0.34 0.50 0.00 4.77 1.57 -1.07 0.17 116.57 122.86 2bdi h LYS 170 Ca 0.08 -0.63 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 2bdi h LYS 170 Cb 0.28 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2bdi h LYS 170 CO 0.01 1.25 -0.04 -0.07 -0.57 0.00 0.00 179.45 180.03 2bdi h LEU 171 N 0.04 0.00 -2.64 2.94 3.38 0.19 -2.96 115.31 116.26 2bdi h LEU 171 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2bdi h LEU 171 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2bdi h LEU 171 CO 0.18 0.04 -0.00 -1.22 0.09 0.00 0.00 178.44 177.52 2bdi n TYR 172 N -3.41 0.00 -1.67 1.13 4.01 0.25 -5.01 117.16 112.47 2bdi n TYR 172 Ca -0.02 -0.42 -0.42 0.00 -0.16 0.00 0.00 57.90 56.87 2bdi n TYR 172 Cb 0.16 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 -0.44 2.24 -1.20 7.72 -0.08 0.59 -0.74 116.55 124.65 2bdi n ASP 173 Ca 0.00 1.15 0.11 0.00 -1.51 0.00 0.00 54.79 54.55 2bdi n ASP 173 Cb 0.31 -1.44 0.28 0.00 2.34 0.00 0.00 41.12 42.61 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 0.39 2.52 0.14 -0.67 -0.04 -1.26 -4.83 135.00 131.25 2bdi n PRO 174 Ca 0.07 -2.34 0.13 0.00 -0.04 0.00 0.00 63.50 61.31 2bdi n PRO 174 Cb 0.37 -1.52 0.47 0.00 -0.04 0.00 0.00 33.50 32.77 2bdi n PRO 174 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2bdi h LEU 175 N 4.09 0.00 -9.74 1.53 3.38 -1.31 -3.46 115.31 109.81 2bdi h LEU 175 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2bdi h LEU 175 Cb 0.92 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.72 2bdi h LEU 175 CO 0.00 0.00 0.66 -0.47 0.09 0.00 0.00 178.44 178.72 2bdi s TYR 176 N -3.28 3.18 0.10 1.13 6.14 -0.21 -4.87 117.35 119.54 2bdi s TYR 176 Ca 0.06 1.25 0.02 0.00 0.64 0.00 0.00 57.07 59.04 2bdi s TYR 176 Cb 0.10 -3.65 -0.04 0.00 0.42 0.00 0.00 41.96 38.79 2bdi s TYR 176 CO 0.49 -1.97 -0.07 -1.58 0.64 0.00 0.00 175.55 173.06 2bdi s HIS 177 N -0.24 0.93 -1.18 4.97 2.46 -1.26 -4.95 115.29 116.02 2bdi s HIS 177 Ca 0.55 -0.86 0.03 0.00 0.47 0.00 0.00 55.06 55.25 2bdi s HIS 177 Cb -0.38 -0.53 0.12 0.00 -0.13 0.00 0.00 32.58 31.66 2bdi s HIS 177 CO 0.42 -0.11 1.01 -2.30 -2.47 0.00 0.00 174.74 171.29 2bdi n PRO 178 N 0.05 0.02 -0.73 2.88 -0.02 -1.26 -0.71 135.00 135.23 2bdi n PRO 178 Ca -0.13 0.37 0.02 0.00 -2.02 0.00 0.00 63.50 61.75 2bdi n PRO 178 Cb 0.60 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.87 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 -1.41 4.51 -4.05 2.55 3.41 -1.26 -4.79 113.62 112.58 2bdi n SER 179 Ca 0.01 -2.78 -0.09 0.00 -0.26 0.00 0.00 58.87 55.74 2bdi n SER 179 Cb 0.03 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.23 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 -2.38 1.03 0.17 4.33 0.23 0.11 -1.60 119.30 121.19 2bdi s MET 180 Ca 0.42 -1.29 -0.19 0.00 -1.03 0.00 0.00 55.69 53.61 2bdi s MET 180 Cb 0.33 0.31 0.04 0.00 -1.53 0.00 0.00 34.83 33.98 2bdi s MET 180 CO 0.12 -0.34 0.51 -0.59 -2.03 0.00 0.00 175.02 172.69 2bdi s PHE 181 N -4.00 -0.24 0.10 3.16 -0.12 -0.22 -4.70 117.98 111.96 2bdi s PHE 181 Ca 0.20 -0.07 0.06 0.00 -0.05 0.00 0.00 56.93 57.07 2bdi s PHE 181 Cb 0.05 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 2bdi s PHE 181 CO 0.00 -0.85 -0.06 0.00 -0.05 0.00 0.00 175.22 174.26 2bdi s ALA 183 N -1.27 -1.38 0.00 0.00 0.00 -0.92 -2.11 121.76 116.08 2bdi s ALA 183 Ca 0.23 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2bdi s ALA 183 Cb -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2bdi s ALA 183 CO 0.16 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2bdi n GLY 184 N 3.10 0.46 2.10 0.00 0.00 0.18 -2.49 105.19 108.54 2bdi n GLY 184 Ca -0.15 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 0.56 3.75 -0.02 0.00 -1.26 -4.53 105.19 103.70 2bdi n GLY 185 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 1.64 0.37 -0.02 0.00 -1.26 0.08 107.32 106.14 2bdi s GLY 186 Ca 0.00 -0.91 0.18 0.00 0.00 0.00 0.00 44.72 44.00 2bdi s GLY 186 CO 0.00 -0.15 1.74 -1.61 0.00 0.00 0.00 173.10 173.08 2bdi h GLN 186 N -1.98 0.00 0.00 2.90 5.75 -1.94 -2.73 115.11 117.10 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 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2bdi h GLN 186 CO 0.43 0.38 0.00 -0.40 -2.65 0.00 0.00 178.83 176.59 2bdi n ASP 186 N -3.56 0.00 -3.35 -0.69 3.85 -1.26 -4.84 116.55 106.70 2bdi n ASP 186 Ca -0.00 -0.25 -0.24 0.00 -0.71 0.00 0.00 54.79 53.58 2bdi n ASP 186 Cb 0.50 -0.07 0.02 0.00 -1.35 0.00 0.00 41.12 40.22 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 -1.07 -4.64 -3.43 0.11 6.02 -1.03 -4.97 117.38 108.37 2bdi n GLN 187 Ca 0.08 0.68 -0.37 0.00 -0.01 0.00 0.00 57.00 57.38 2bdi n GLN 187 Cb 0.05 -5.51 -0.06 0.00 1.02 0.00 0.00 30.24 25.74 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 -6.03 4.28 0.11 -1.09 1.02 -1.26 -4.43 119.74 112.34 2bdi s LYS 188 Ca 0.43 0.27 -0.26 0.00 0.02 0.00 0.00 55.97 56.43 2bdi s LYS 188 Cb -0.21 -3.42 0.08 0.00 -0.52 0.00 0.00 37.83 33.76 2bdi s LYS 188 CO 0.52 0.22 1.08 0.34 -0.92 0.00 0.00 175.35 176.59 2bdi s ASP 189 N 0.47 -0.10 0.82 2.83 2.15 -1.02 -4.12 116.67 117.70 2bdi s ASP 189 Ca 0.21 -0.37 -0.06 0.00 0.43 0.00 0.00 52.55 52.76 2bdi s ASP 189 Cb -0.14 0.39 0.13 0.00 -0.30 0.00 0.00 42.92 42.99 2bdi s ASP 189 CO 0.07 -0.73 0.80 -1.20 -0.17 0.00 0.00 175.17 173.94 2bdi n SER 190 N -0.64 0.48 -1.98 -0.34 7.64 -1.26 0.45 113.62 117.97 2bdi n SER 190 Ca -0.06 -1.54 -0.04 0.00 1.01 0.00 0.00 58.87 58.24 2bdi n SER 190 Cb 0.61 -0.57 0.01 0.00 -1.01 0.00 0.00 64.21 63.25 2bdi n SER 190 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bdi n ASN 192 N -1.19 2.72 0.00 0.00 4.13 -1.26 -1.55 115.26 118.11 2bdi n ASN 192 Ca -0.04 1.08 0.00 0.00 1.68 0.00 0.00 54.58 57.30 2bdi n ASN 192 Cb 0.30 -1.35 0.00 0.00 -1.54 0.00 0.00 39.78 37.20 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 3.32 0.30 0.61 7.41 0.00 -1.26 -0.35 105.19 115.22 2bdi n GLY 193 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 2.28 -4.65 1.61 8.00 -0.59 -3.38 116.55 119.82 2bdi n ASP 194 Ca 0.00 -1.64 -0.44 0.00 0.71 0.00 0.00 54.79 53.42 2bdi n ASP 194 Cb 0.00 -0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 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 0.86 2.10 0.00 -2.24 7.64 -1.26 -0.12 113.62 120.60 2bdi n SER 195 Ca 0.09 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2bdi n SER 195 Cb 0.38 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 2.07 3.69 0.23 0.00 0.18 -1.39 105.19 111.12 2bdi n GLY 196 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.97 1.65 0.30 -0.02 0.00 0.82 -3.73 107.32 104.38 2bdi s GLY 197 Ca 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 44.72 44.80 2bdi s GLY 197 CO 0.00 0.71 0.76 2.56 0.00 0.00 0.00 173.10 177.13 2bdi s PRO 198 N -4.76 4.13 -0.27 2.90 0.04 -1.26 -0.20 135.00 135.58 2bdi s PRO 198 Ca 0.65 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2bdi s PRO 198 Cb -0.20 -2.58 0.08 0.00 0.04 0.00 0.00 34.50 31.84 2bdi s PRO 198 CO 0.58 0.23 0.02 -1.17 0.04 0.00 0.00 177.00 176.70 2bdi s LEU 199 N -2.62 2.60 -0.12 -3.56 2.96 -0.32 -3.33 118.68 114.30 2bdi s LEU 199 Ca 0.51 -1.43 -0.13 0.00 -0.22 0.00 0.00 54.13 52.86 2bdi s LEU 199 Cb -0.13 -1.06 -0.05 0.00 0.50 0.00 0.00 46.19 45.45 2bdi s LEU 199 CO 0.19 -0.33 0.29 -0.63 -1.32 0.00 0.00 176.35 174.55 2bdi s ILE 200 N 1.46 5.28 -0.17 6.68 -1.09 0.59 0.41 121.20 134.35 2bdi s ILE 200 Ca 0.03 0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 58.97 2bdi s ILE 200 Cb -0.18 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 37.15 2bdi s ILE 200 CO -0.13 0.48 0.03 0.00 -1.23 0.00 0.00 174.94 174.08 2bdi n ASN 202 N 5.06 -2.49 -0.09 0.00 5.03 -1.26 -2.02 115.26 119.49 2bdi n ASN 202 Ca -0.09 -0.62 -0.01 0.00 0.87 0.00 0.00 54.58 54.73 2bdi n ASN 202 Cb 0.48 -5.06 -0.00 0.00 -1.02 0.00 0.00 39.78 34.17 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 -1.25 0.33 3.58 7.41 0.00 -1.26 -5.00 105.19 108.99 2bdi n GLY 203 Ca -0.26 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.55 2.62 -0.46 1.61 1.51 -0.86 -4.73 117.35 115.50 2bdi s TYR 208 Ca 0.00 -0.23 -0.28 0.00 -1.01 0.00 0.00 57.07 55.55 2bdi s TYR 208 Cb 0.00 -1.25 0.03 0.00 -0.11 0.00 0.00 41.96 40.63 2bdi s TYR 208 CO 0.00 0.55 1.08 -1.17 -1.11 0.00 0.00 175.55 174.89 2bdi s LEU 209 N -3.04 3.75 -0.19 -1.29 2.96 0.28 -0.01 118.68 121.14 2bdi s LEU 209 Ca 0.26 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2bdi s LEU 209 Cb -0.08 -3.45 -0.21 0.00 0.50 0.00 0.00 46.19 42.94 2bdi s LEU 209 CO 0.16 -1.18 0.05 1.67 -1.32 0.00 0.00 176.35 175.73 2bdi n GLN 210 N 7.61 0.69 -3.01 1.98 -0.06 0.17 -0.25 117.38 124.50 2bdi n GLN 210 Ca 0.10 0.18 -0.07 0.00 -2.00 0.00 0.00 57.00 55.22 2bdi n GLN 210 Cb 0.49 -1.60 0.01 0.00 -4.06 0.00 0.00 30.24 25.08 2bdi n GLN 210 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2bdi n GLY 211 N 2.09 1.55 3.20 1.69 0.00 -0.69 -3.05 105.19 109.99 2bdi n GLY 211 Ca -0.38 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 2bdi n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bdi s LEU 212 N 0.00 2.09 -0.11 0.99 1.43 -1.23 -1.17 118.68 120.68 2bdi s LEU 212 Ca 0.13 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 2bdi s LEU 212 Cb -0.03 -0.93 -0.06 0.00 0.03 0.00 0.00 46.19 45.20 2bdi s LEU 212 CO 0.10 0.19 1.98 -0.69 0.23 0.00 0.00 176.35 178.17 2bdi s VAL 213 N -0.58 3.16 0.00 -1.59 1.01 0.73 -0.91 120.40 122.22 2bdi s VAL 213 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2bdi s VAL 213 Cb -0.08 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.14 2bdi s VAL 213 CO 0.00 -0.06 0.00 -0.24 0.00 0.00 0.00 175.10 174.80 2bdi n SER 214 N 9.26 0.00 -2.68 3.32 2.88 -0.99 0.49 113.62 125.89 2bdi n SER 214 Ca 0.23 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.68 2bdi n SER 214 Cb 0.43 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 63.64 2bdi n SER 214 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2bdi n PHE 215 N -2.29 -2.03 0.00 0.66 1.16 -1.11 -4.89 117.46 108.96 2bdi n PHE 215 Ca 0.00 -1.82 0.00 0.00 -1.87 0.00 0.00 57.45 53.76 2bdi n PHE 215 Cb 0.00 0.76 0.00 0.00 -1.61 0.00 0.00 39.48 38.63 2bdi n PHE 215 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2bdi n GLY 216 N -0.50 0.79 3.69 4.97 0.00 -1.26 0.39 105.19 113.27 2bdi n GLY 216 Ca -0.06 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 1.44 0.09 1.61 1.02 -1.26 -5.01 119.74 115.62 2bdi s LYS 217 Ca 0.00 1.64 0.08 0.00 0.02 0.00 0.00 55.97 57.72 2bdi s LYS 217 Cb 0.00 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 2bdi s LYS 217 CO 0.00 -2.34 -0.22 0.00 -0.92 0.00 0.00 175.35 171.87 2bdi s ALA 218 N -2.39 1.89 1.08 5.17 0.00 -1.26 -4.02 121.76 122.23 2bdi s ALA 218 Ca 0.70 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 2bdi s ALA 218 Cb -0.26 -0.29 0.23 0.00 0.00 0.00 0.00 23.12 22.80 2bdi s ALA 218 CO 0.53 0.40 1.09 -1.25 0.00 0.00 0.00 175.76 176.54 2bdi s PRO 219 N -1.73 -0.19 0.69 0.00 0.04 -1.26 -5.11 135.00 127.43 2bdi s PRO 219 Ca 0.08 0.35 -0.11 0.00 0.04 0.00 0.00 61.00 61.36 2bdi s PRO 219 Cb -0.10 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2bdi s PRO 219 CO 0.04 -3.11 1.06 0.00 0.04 0.00 0.00 177.00 175.02 2bdi n GLY 220 N -2.24 0.02 3.78 0.00 0.00 -1.26 -4.99 105.19 100.50 2bdi n GLY 220 Ca 0.07 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.44 4.58 0.22 1.61 -0.21 -1.26 -4.59 119.66 115.57 2bdi s GLN 221 Ca 0.00 1.20 -0.31 0.00 0.02 0.00 0.00 55.36 56.28 2bdi s GLN 221 Cb 0.00 -3.14 -0.10 0.00 1.00 0.00 0.00 33.01 30.77 2bdi s GLN 221 CO 0.00 0.49 1.53 0.08 -2.12 0.00 0.00 175.29 175.27 2bdi s VAL 222 N -1.28 2.53 0.00 1.09 1.01 -1.26 -1.94 120.40 120.55 2bdi s VAL 222 Ca 0.40 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2bdi s VAL 222 Cb -0.22 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2bdi s VAL 222 CO 0.26 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2bdi n GLY 223 N 2.89 0.79 2.78 4.51 0.00 0.11 -4.94 105.19 111.33 2bdi n GLY 223 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.15 1.83 0.96 1.61 1.01 -0.82 -5.02 120.40 116.82 2bdi s VAL 224 Ca 0.00 -2.93 -0.12 0.00 0.00 0.00 0.00 61.98 58.93 2bdi s VAL 224 Cb 0.00 -2.27 0.16 0.00 0.00 0.00 0.00 36.38 34.27 2bdi s VAL 224 CO 0.00 -0.89 1.09 -2.16 0.00 0.00 0.00 175.10 173.14 2bdi s PRO 225 N -0.00 0.76 0.39 2.72 0.04 -1.26 -4.36 135.00 133.29 2bdi s PRO 225 Ca 0.19 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2bdi s PRO 225 Cb -0.22 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2bdi s PRO 225 CO -0.02 -2.60 0.61 0.20 0.04 0.00 0.00 177.00 175.23 2bdi s GLY 226 N -3.18 1.43 -0.01 0.56 0.00 -1.04 -4.66 107.32 100.43 2bdi s GLY 226 Ca 0.65 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 2bdi s GLY 226 CO 0.58 -0.83 0.07 0.14 0.00 0.00 0.00 173.10 173.07 2bdi s VAL 227 N -2.43 4.67 0.02 1.40 1.01 0.16 -2.16 120.40 123.08 2bdi s VAL 227 Ca 0.43 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2bdi s VAL 227 Cb -0.10 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2bdi s VAL 227 CO 0.37 0.38 -0.05 -0.31 0.00 0.00 0.00 175.10 175.49 2bdi s TYR 228 N -1.16 0.41 0.14 5.22 1.51 0.70 -2.34 117.35 121.82 2bdi s TYR 228 Ca 0.22 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.62 2bdi s TYR 228 Cb -0.12 -0.26 -0.09 0.00 -0.11 0.00 0.00 41.96 41.38 2bdi s TYR 228 CO 0.12 -0.08 1.54 0.99 -1.11 0.00 0.00 175.55 177.01 2bdi s THR 229 N -0.93 2.82 -1.26 -0.71 2.01 -0.09 -1.06 115.64 116.43 2bdi s THR 229 Ca -0.08 0.55 -0.15 0.00 0.31 0.00 0.00 61.69 62.32 2bdi s THR 229 Cb -0.07 -3.36 0.12 0.00 0.01 0.00 0.00 72.50 69.21 2bdi s THR 229 CO -0.00 0.04 1.61 -3.20 -0.69 0.00 0.00 174.62 172.37 2bdi n ASN 230 N 4.20 5.06 -0.15 3.53 5.15 -0.63 -3.46 115.26 128.95 2bdi n ASN 230 Ca 0.14 -2.95 0.19 0.00 -0.60 0.00 0.00 54.58 51.36 2bdi n ASN 230 Cb 0.40 -1.65 0.58 0.00 -0.53 0.00 0.00 39.78 38.57 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 10.95 0.26 -0.02 1.20 3.38 -1.86 0.12 115.31 129.34 2bdi h LEU 231 Ca 0.39 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2bdi h LEU 231 Cb 0.86 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2bdi h LEU 231 CO 1.37 0.12 0.11 0.00 0.09 0.00 0.00 178.44 180.13 2bdi n LYS 233 N -1.40 0.12 -0.27 0.00 4.76 0.41 -4.37 118.16 117.42 2bdi n LYS 233 Ca -0.00 -0.01 0.08 0.00 -2.87 0.00 0.00 58.31 55.51 2bdi n LYS 233 Cb 0.11 -1.53 0.17 0.00 -1.84 0.00 0.00 35.03 31.94 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 -1.68 0.17 0.25 2.13 3.72 0.13 -4.79 117.46 117.39 2bdi n PHE 234 Ca 0.03 -1.13 -0.16 0.00 -0.05 0.00 0.00 57.45 56.14 2bdi n PHE 234 Cb 0.38 -0.21 -0.08 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.48 0.17 -0.64 4.37 1.35 -1.76 0.54 112.91 117.43 2bdi h THR 235 Ca 0.01 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.01 2bdi h THR 235 Cb 1.09 0.17 -0.10 0.00 -1.73 0.00 0.00 68.15 67.58 2bdi h THR 235 CO 0.05 0.00 0.07 -0.08 -0.25 0.00 0.00 175.52 175.31 2bdi h GLU 236 N -0.83 0.18 -0.04 4.72 4.81 -1.94 0.19 114.58 121.66 2bdi h GLU 236 Ca -0.03 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2bdi h GLU 236 Cb 0.75 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 2bdi h GLU 236 CO -0.07 0.12 0.02 2.35 -0.73 0.00 0.00 179.01 180.69 2bdi h TRP 237 N 0.18 0.07 -0.91 0.92 7.01 -1.79 -0.61 115.95 120.82 2bdi h TRP 237 Ca 0.34 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.49 2bdi h TRP 237 Cb 0.56 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.52 2bdi h TRP 237 CO -0.32 0.21 0.58 0.82 -2.79 0.00 0.00 178.44 176.95 2bdi h ILE 238 N -0.09 0.81 0.42 2.65 2.04 0.13 -2.07 117.51 121.40 2bdi h ILE 238 Ca 0.01 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2bdi h ILE 238 Cb 0.17 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2bdi h ILE 238 CO -0.00 0.13 -0.20 -0.08 0.00 0.00 0.00 178.15 177.99 2bdi h GLU 239 N 0.69 -0.55 -0.55 2.37 4.57 -0.11 -1.48 114.58 119.53 2bdi h GLU 239 Ca 0.46 0.04 0.16 0.00 -1.18 0.00 0.00 59.36 58.84 2bdi h GLU 239 Cb 0.77 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 2bdi h GLU 239 CO -0.22 -0.36 0.69 -0.22 -1.18 0.00 0.00 179.01 177.71 2bdi h LYS 240 N -0.99 0.00 0.00 1.92 3.64 -1.00 -0.34 116.57 119.81 2bdi h LYS 240 Ca -0.06 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2bdi h LYS 240 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2bdi h LYS 240 CO 0.10 0.00 -0.46 1.15 -2.27 0.00 0.00 179.45 177.96 2bdi h THR 241 N 0.00 0.31 -0.68 1.00 2.02 -1.32 -3.13 112.91 111.11 2bdi h THR 241 Ca 0.26 -1.32 0.09 0.00 0.77 0.00 0.00 66.41 66.21 2bdi h THR 241 Cb 1.63 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 68.65 2bdi h THR 241 CO -0.00 0.11 0.33 0.58 0.37 0.00 0.00 175.52 176.90 2bdi h VAL 242 N -1.00 0.85 0.00 3.16 2.07 -0.47 -3.35 116.25 117.50 2bdi h VAL 242 Ca -0.06 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2bdi h VAL 242 Cb 0.56 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2bdi h VAL 242 CO -0.04 0.10 0.00 1.67 0.02 0.00 0.00 177.57 179.33 2bdi n GLN 243 N -4.88 0.00 0.00 1.57 -0.06 -0.21 -5.10 117.38 108.70 2bdi n GLN 243 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 2bdi n GLN 243 Cb 0.26 -0.05 0.00 0.00 -4.06 0.00 0.00 30.24 26.40 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86