#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 4.76 -1.16 1.39 -1.09 0.24 -4.00 121.20 121.33 2bdi s ILE 17 Ca 0.00 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.35 2bdi s ILE 17 Cb 0.00 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 2bdi s ILE 17 CO 0.00 0.37 1.00 0.59 -1.23 0.00 0.00 174.94 175.67 2bdi n ASN 18 N 4.33 -4.03 0.00 3.58 5.03 -1.26 -2.10 115.26 120.81 2bdi n ASN 18 Ca -0.16 -0.53 0.00 0.00 0.87 0.00 0.00 54.58 54.76 2bdi n ASN 18 Cb 0.52 -4.67 0.00 0.00 -1.02 0.00 0.00 39.78 34.61 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 -1.50 7.54 3.29 7.41 0.00 -1.26 -4.82 105.19 115.85 2bdi n GLY 19 Ca -0.13 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 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 1.14 -0.16 1.61 2.02 -0.62 -4.90 118.70 118.89 2bdi s GLU 20 Ca 0.00 -1.32 -0.35 0.00 0.02 0.00 0.00 54.97 53.32 2bdi s GLU 20 Cb 0.00 0.33 -0.12 0.00 0.10 0.00 0.00 34.13 34.44 2bdi s GLU 20 CO 0.00 -0.40 1.91 -0.25 0.02 0.00 0.00 175.26 176.55 2bdi n ASP 21 N -0.21 3.10 -4.69 -0.19 9.92 -1.26 -0.31 116.55 122.91 2bdi n ASP 21 Ca -0.05 0.89 -0.32 0.00 -0.53 0.00 0.00 54.79 54.78 2bdi n ASP 21 Cb 0.63 -1.32 0.14 0.00 -0.64 0.00 0.00 41.12 39.93 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 -2.44 6.45 -0.44 0.00 0.15 -1.26 -4.79 113.70 111.38 2bdi s SER 23 Ca 0.70 2.12 -0.41 0.00 0.70 0.00 0.00 55.95 59.05 2bdi s SER 23 Cb -0.25 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.35 2bdi s SER 23 CO 0.54 -1.12 1.41 -2.65 1.20 0.00 0.00 173.24 172.62 2bdi n PRO 24 N 7.47 0.00 -1.45 5.44 -0.02 -1.26 0.59 135.00 145.77 2bdi n PRO 24 Ca 0.19 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 2bdi n PRO 24 Cb 0.43 -1.31 -0.04 0.00 -0.02 0.00 0.00 33.50 32.56 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 3.56 -0.07 0.72 6.00 8.25 -1.26 -4.88 115.22 127.53 2bdi n HIS 25 Ca 0.28 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.86 2bdi n HIS 25 Cb -0.05 -2.20 0.49 0.00 1.12 0.00 0.00 29.99 29.35 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 0.11 0.37 -3.32 0.41 3.41 0.20 -3.87 113.62 110.93 2bdi n SER 26 Ca -0.12 0.55 -0.26 0.00 -0.26 0.00 0.00 58.87 58.78 2bdi n SER 26 Cb 0.41 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.86 1.74 0.00 4.33 1.13 -1.26 -4.97 117.38 116.49 2bdi n GLN 27 Ca 0.05 -4.04 0.00 0.00 -1.94 0.00 0.00 57.00 51.07 2bdi n GLN 27 Cb 0.33 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.88 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 1.09 0.00 0.00 -1.09 -0.04 -1.25 -1.49 135.00 132.22 2bdi n PRO 28 Ca 0.26 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.31 2bdi n PRO 28 Cb 0.46 -1.51 0.26 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.47 0.00 -2.04 0.54 2.14 -1.07 -2.15 117.44 113.40 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 -2.70 4.25 -0.12 -2.67 2.00 -0.56 -1.07 119.66 118.80 2bdi s GLN 30 Ca 0.18 2.21 0.02 0.00 -2.00 0.00 0.00 55.36 55.77 2bdi s GLN 30 Cb 0.18 -3.41 -0.01 0.00 0.80 0.00 0.00 33.01 30.58 2bdi s GLN 30 CO 0.61 -0.61 -0.17 0.00 -0.50 0.00 0.00 175.29 174.62 2bdi s ALA 31 N 1.89 2.44 -0.11 1.58 0.00 0.26 -4.33 121.76 123.47 2bdi s ALA 31 Ca 0.69 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 2bdi s ALA 31 Cb -0.38 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2bdi s ALA 31 CO 0.30 0.27 0.19 0.00 0.00 0.00 0.00 175.76 176.52 2bdi s ALA 32 N 0.34 3.81 -0.31 0.00 0.00 -0.60 0.27 121.76 125.26 2bdi s ALA 32 Ca -0.14 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 2bdi s ALA 32 Cb -0.17 -2.09 0.04 0.00 0.00 0.00 0.00 23.12 20.90 2bdi s ALA 32 CO 0.07 0.51 0.05 -0.51 0.00 0.00 0.00 175.76 175.88 2bdi s LEU 33 N -0.78 4.00 0.06 0.00 1.02 -1.05 -0.92 118.68 121.00 2bdi s LEU 33 Ca 0.16 -1.10 0.06 0.00 0.02 0.00 0.00 54.13 53.27 2bdi s LEU 33 Cb -0.13 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 2bdi s LEU 33 CO 0.05 -0.27 -0.13 0.68 0.02 0.00 0.00 176.35 176.70 2bdi s VAL 34 N 1.36 3.14 0.00 -1.59 -7.23 -1.15 -1.28 120.40 113.66 2bdi s VAL 34 Ca -0.02 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 2bdi s VAL 34 Cb -0.19 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.37 2bdi s VAL 34 CO 0.01 0.27 0.00 0.23 -0.31 0.00 0.00 175.10 175.30 2bdi n MET 35 N 1.26 3.68 -0.25 4.82 2.81 0.77 -3.73 117.12 126.48 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 32.98 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 -0.25 -0.51 0.03 4.71 -1.26 -3.63 120.64 119.73 2bdi n GLU 36 Ca 0.00 0.91 -0.00 0.00 -0.01 0.00 0.00 57.16 58.06 2bdi n GLU 36 Cb 0.00 -1.33 -0.00 0.00 -1.01 0.00 0.00 31.44 29.09 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 -4.76 -0.01 -4.14 1.62 4.13 -1.26 -5.13 115.26 105.70 2bdi n ASN 37 Ca 0.02 -1.16 -0.09 0.00 1.68 0.00 0.00 54.58 55.02 2bdi n ASN 37 Cb 0.16 -0.02 -0.10 0.00 -1.54 0.00 0.00 39.78 38.28 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 0.77 0.06 3.52 2.12 -1.24 -5.13 118.70 118.81 2bdi s GLU 38 Ca 0.00 -1.30 -0.25 0.00 0.36 0.00 0.00 54.97 53.77 2bdi s GLU 38 Cb 0.00 -0.03 -0.06 0.00 0.26 0.00 0.00 34.13 34.30 2bdi s GLU 38 CO -0.00 -0.07 0.78 -1.17 -0.54 0.00 0.00 175.26 174.26 2bdi s LEU 40 N -3.00 4.47 0.00 2.70 1.98 -1.26 -0.16 118.68 123.40 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 0.06 -3.27 0.00 0.00 0.66 0.00 0.00 46.19 43.65 2bdi s LEU 40 CO -0.06 0.03 0.00 2.22 -1.89 0.00 0.00 176.35 176.65 2bdi n PHE 41 N 2.67 0.00 -3.12 5.38 -1.74 -0.40 -4.94 117.46 115.30 2bdi n PHE 41 Ca -0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.86 2bdi n PHE 41 Cb 0.50 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.50 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 -1.17 0.44 0.32 0.00 0.01 -0.57 -2.54 113.70 110.19 2bdi s SER 43 Ca 0.01 -1.32 -0.10 0.00 1.31 0.00 0.00 55.95 55.85 2bdi s SER 43 Cb -0.00 0.53 0.02 0.00 0.21 0.00 0.00 66.02 66.77 2bdi s SER 43 CO 0.01 -1.06 0.57 -0.83 0.41 0.00 0.00 173.24 172.34 2bdi s GLY 44 N -3.16 0.82 -0.08 3.44 0.00 0.14 -4.10 107.32 104.38 2bdi s GLY 44 Ca 0.32 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2bdi s GLY 44 CO 0.15 -0.65 -0.11 0.14 0.00 0.00 0.00 173.10 172.63 2bdi s VAL 45 N -3.21 1.09 -0.54 1.40 1.01 0.37 -0.58 120.40 119.95 2bdi s VAL 45 Ca 0.23 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 2bdi s VAL 45 Cb -0.02 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 2bdi s VAL 45 CO 0.14 0.36 1.81 -0.22 0.00 0.00 0.00 175.10 177.18 2bdi s LEU 46 N 0.98 3.35 0.00 3.92 2.96 -0.23 0.01 118.68 129.68 2bdi s LEU 46 Ca -0.09 0.55 0.20 0.00 -0.22 0.00 0.00 54.13 54.58 2bdi s LEU 46 Cb -0.15 -2.80 0.37 0.00 0.50 0.00 0.00 46.19 44.11 2bdi s LEU 46 CO -0.00 -2.17 1.31 1.33 -1.32 0.00 0.00 176.35 175.50 2bdi n VAL 47 N 7.23 0.52 -3.57 1.68 0.24 -0.99 -1.75 118.33 121.68 2bdi n VAL 47 Ca 0.20 -0.76 -0.06 0.00 -2.04 0.00 0.00 64.34 61.68 2bdi n VAL 47 Cb 0.51 0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 33.80 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 -1.34 -0.21 0.40 6.34 5.65 -1.19 -4.75 115.29 120.20 2bdi s HIS 48 Ca 0.33 0.18 0.14 0.00 0.25 0.00 0.00 55.06 55.97 2bdi s HIS 48 Cb 0.20 0.51 0.99 0.00 -1.18 0.00 0.00 32.58 33.09 2bdi s HIS 48 CO 0.27 -0.29 1.90 -1.35 -0.65 0.00 0.00 174.74 174.61 2bdi h PRO 49 N 2.08 0.48 -0.10 2.88 0.11 -1.92 -2.82 132.00 132.70 2bdi h PRO 49 Ca -0.13 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 2bdi h PRO 49 Cb 1.19 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2bdi h PRO 49 CO 0.26 0.32 -0.12 0.94 -0.21 0.00 0.00 178.00 179.19 2bdi n GLN 50 N -4.51 1.75 -3.77 1.05 7.27 -1.26 -1.46 117.38 116.46 2bdi n GLN 50 Ca 0.16 -2.88 -0.14 0.00 0.07 0.00 0.00 57.00 54.21 2bdi n GLN 50 Cb 0.53 -1.64 -0.15 0.00 2.41 0.00 0.00 30.24 31.40 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 -3.00 -0.11 -0.18 3.69 0.52 -1.06 -1.44 118.94 117.36 2bdi s TRP 51 Ca 0.37 0.35 -0.01 0.00 0.02 0.00 0.00 56.10 56.84 2bdi s TRP 51 Cb 0.33 -0.10 -0.00 0.00 -1.15 0.00 0.00 33.47 32.55 2bdi s TRP 51 CO 0.01 -0.13 -0.13 0.08 0.02 0.00 0.00 176.95 176.81 2bdi s VAL 52 N 0.95 2.78 0.15 4.03 1.01 0.72 -2.34 120.40 127.70 2bdi s VAL 52 Ca -0.07 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 2bdi s VAL 52 Cb -0.10 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 2bdi s VAL 52 CO -0.04 0.49 0.61 -0.22 0.00 0.00 0.00 175.10 175.94 2bdi s LEU 53 N 1.06 4.40 0.00 3.92 2.96 0.10 0.02 118.68 131.14 2bdi s LEU 53 Ca -0.01 1.24 -0.12 0.00 -0.22 0.00 0.00 54.13 55.02 2bdi s LEU 53 Cb -0.15 -3.25 0.05 0.00 0.50 0.00 0.00 46.19 43.34 2bdi s LEU 53 CO -0.03 0.14 0.63 -0.24 -1.32 0.00 0.00 176.35 175.52 2bdi n SER 54 N 1.06 -1.57 -4.71 3.68 2.88 0.04 0.14 113.62 115.14 2bdi n SER 54 Ca -0.06 -2.03 -0.40 0.00 -1.33 0.00 0.00 58.87 55.05 2bdi n SER 54 Cb 0.51 2.60 -0.04 0.00 -0.75 0.00 0.00 64.21 66.53 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 -1.78 3.33 0.45 -1.46 0.00 -1.26 0.85 121.76 121.89 2bdi s ALA 55 Ca 0.13 0.17 0.25 0.00 0.00 0.00 0.00 51.96 52.51 2bdi s ALA 55 Cb -0.03 -3.02 1.27 0.00 0.00 0.00 0.00 23.12 21.34 2bdi s ALA 55 CO 0.07 -0.17 1.77 0.00 0.00 0.00 0.00 175.76 177.43 2bdi h ALA 56 N 6.82 2.55 0.00 0.00 0.00 -1.62 0.45 119.26 127.46 2bdi h ALA 56 Ca -0.40 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2bdi h ALA 56 Cb 1.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2bdi h ALA 56 CO 0.76 -0.96 0.00 -2.39 0.00 0.00 0.00 179.25 176.66 2bdi n HIS 57 N -4.50 0.00 0.43 0.00 1.44 -1.26 -2.20 115.22 109.12 2bdi n HIS 57 Ca 0.27 -0.02 0.04 0.00 -2.01 0.00 0.00 57.72 56.00 2bdi n HIS 57 Cb 1.05 -0.09 -0.03 0.00 0.12 0.00 0.00 29.99 31.04 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 -0.85 -0.15 -4.17 0.00 7.35 -0.94 -5.00 117.46 113.70 2bdi n PHE 59 Ca 0.03 0.96 -0.14 0.00 -0.76 0.00 0.00 57.45 57.53 2bdi n PHE 59 Cb 0.17 -2.01 -0.08 0.00 0.35 0.00 0.00 39.48 37.91 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 -0.86 1.51 0.08 -4.13 -1.52 -1.26 -5.06 119.66 108.42 2bdi s GLN 60 Ca 0.68 -1.69 0.12 0.00 -1.95 0.00 0.00 55.36 52.52 2bdi s GLN 60 Cb -0.96 0.35 -0.17 0.00 -0.22 0.00 0.00 33.01 32.00 2bdi s GLN 60 CO 0.56 -0.56 1.02 -0.91 -0.25 0.00 0.00 175.29 175.15 2bdi h ASN 61 N 2.36 0.00 -3.97 5.90 2.35 -1.95 -3.46 115.58 116.81 2bdi h ASN 61 Ca -0.30 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.33 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 0.44 0.87 -0.20 -0.94 -1.65 0.00 0.00 177.43 175.95 2bdi s SER 62 N -6.32 -0.45 0.26 5.81 1.04 -1.26 -4.60 113.70 108.18 2bdi s SER 62 Ca -0.01 0.85 0.11 0.00 0.48 0.00 0.00 55.95 57.38 2bdi s SER 62 Cb 0.09 0.87 -0.05 0.00 0.10 0.00 0.00 66.02 67.02 2bdi s SER 62 CO 0.81 -0.18 -0.18 -0.31 0.98 0.00 0.00 173.24 174.37 2bdi s TYR 63 N 0.13 2.36 -0.61 5.02 1.51 -0.10 -5.00 117.35 120.65 2bdi s TYR 63 Ca -0.01 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.78 2bdi s TYR 63 Cb -0.03 -1.05 0.15 0.00 -0.11 0.00 0.00 41.96 40.92 2bdi s TYR 63 CO 0.01 0.66 0.39 0.99 -1.11 0.00 0.00 175.55 176.50 2bdi s THR 64 N -2.32 2.57 0.09 -0.71 2.01 -1.24 -2.50 115.64 113.53 2bdi s THR 64 Ca 0.29 -3.78 -0.30 0.00 0.31 0.00 0.00 61.69 58.21 2bdi s THR 64 Cb -0.06 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2bdi s THR 64 CO 0.15 -0.94 1.00 -0.63 -0.69 0.00 0.00 174.62 173.50 2bdi s ILE 65 N -0.89 4.49 -0.24 1.82 1.01 -0.98 -2.93 121.20 123.48 2bdi s ILE 65 Ca 0.22 1.98 -0.05 0.00 0.00 0.00 0.00 60.65 62.81 2bdi s ILE 65 Cb -0.12 -4.27 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 2bdi s ILE 65 CO -0.10 0.26 -0.01 -0.83 0.00 0.00 0.00 174.94 174.26 2bdi s GLY 66 N 0.29 1.66 0.23 6.18 0.00 -0.10 -1.52 107.32 114.06 2bdi s GLY 66 Ca 0.49 -1.25 0.07 0.00 0.00 0.00 0.00 44.72 44.02 2bdi s GLY 66 CO 0.30 0.50 0.16 1.08 0.00 0.00 0.00 173.10 175.13 2bdi s LEU 67 N 1.48 3.74 -1.86 0.66 1.43 -0.54 -1.56 118.68 122.03 2bdi s LEU 67 Ca 0.05 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2bdi s LEU 67 Cb -0.15 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2bdi s LEU 67 CO -0.01 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.17 2bdi n GLY 69 N -0.89 1.57 3.96 -3.19 0.00 -1.26 -1.57 105.19 103.81 2bdi n GLY 69 Ca -0.08 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.15 2.96 0.00 0.99 1.43 -1.26 -4.09 118.68 114.56 2bdi s LEU 70 Ca 0.00 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 2bdi s LEU 70 Cb 0.00 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.64 2bdi s LEU 70 CO 0.00 -1.72 0.00 1.57 0.23 0.00 0.00 176.35 176.43 2bdi n HIS 71 N -2.86 -0.21 -4.30 0.29 -0.00 -1.26 -4.67 115.22 102.21 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 0.09 -0.09 0.00 -0.00 0.00 0.00 29.99 30.59 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 -2.26 4.33 0.53 0.26 1.04 -1.26 -1.33 113.70 115.02 2bdi s SER 72 Ca 0.00 -0.62 0.32 0.00 0.48 0.00 0.00 55.95 56.12 2bdi s SER 72 Cb 0.00 -0.75 1.34 0.00 0.10 0.00 0.00 66.02 66.71 2bdi s SER 72 CO 0.00 0.06 1.98 -0.07 0.98 0.00 0.00 173.24 176.19 2bdi h LEU 73 N 2.50 0.00 -7.69 2.42 3.38 -1.95 -3.38 115.31 110.59 2bdi h LEU 73 Ca -0.45 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.24 2bdi h LEU 73 Cb 1.22 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.99 2bdi h LEU 73 CO 0.57 0.06 0.82 -0.62 0.09 0.00 0.00 178.44 179.35 2bdi n GLU 74 N -3.20 0.70 -0.32 1.13 -0.58 -1.26 -4.82 120.64 112.29 2bdi n GLU 74 Ca 0.00 -1.84 0.17 0.00 -0.42 0.00 0.00 57.16 55.07 2bdi n GLU 74 Cb 0.31 -3.53 0.35 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 10.37 1.42 -0.16 0.62 0.00 -1.95 -1.81 119.26 127.76 2bdi h ALA 74 Ca 0.16 0.27 -0.22 0.00 0.00 0.00 0.00 54.91 55.12 2bdi h ALA 74 Cb 0.89 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 2bdi h ALA 74 CO 1.35 -0.59 -0.05 -0.40 0.00 0.00 0.00 179.25 179.56 2bdi n ASP 75 N -5.32 5.65 0.00 0.00 5.75 -1.26 -1.94 116.55 119.43 2bdi n ASP 75 Ca 0.25 -2.67 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 2bdi n ASP 75 Cb 0.83 -1.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 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 1.70 0.00 -3.99 0.11 6.02 -0.68 -5.05 117.38 115.48 2bdi n GLN 76 Ca 0.33 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.01 2bdi n GLN 76 Cb 0.71 -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 2.07 0.00 -1.09 0.41 -0.82 -5.03 118.70 114.24 2bdi s GLU 77 Ca 0.00 -0.72 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 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 -0.37 0.00 -2.30 -0.49 0.00 0.00 175.26 172.10 2bdi n PRO 78 N 4.73 0.00 0.00 0.39 -0.02 -1.26 -2.91 135.00 135.92 2bdi n PRO 78 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2bdi n PRO 78 Cb 0.48 -0.24 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 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 -4.75 105.19 101.71 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 -1.52 5.36 -0.13 1.61 1.04 -1.15 -4.74 113.70 114.17 2bdi s SER 80 Ca 0.00 2.49 -0.04 0.00 0.48 0.00 0.00 55.95 58.88 2bdi s SER 80 Cb 0.00 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.56 2bdi s SER 80 CO 0.00 -1.49 0.11 -1.10 0.98 0.00 0.00 173.24 171.75 2bdi s GLN 81 N -3.10 0.04 -1.24 4.02 -0.21 -0.61 -4.99 119.66 113.57 2bdi s GLN 81 Ca 0.74 0.20 -0.14 0.00 0.02 0.00 0.00 55.36 56.18 2bdi s GLN 81 Cb -0.33 -1.11 0.15 0.00 1.00 0.00 0.00 33.01 32.72 2bdi s GLN 81 CO 0.38 -0.51 1.56 -1.33 -2.12 0.00 0.00 175.29 173.26 2bdi n MET 82 N 5.30 3.36 -1.53 2.91 2.81 -1.26 -1.47 117.12 127.24 2bdi n MET 82 Ca -0.05 -3.69 -0.30 0.00 -1.81 0.00 0.00 57.70 51.85 2bdi n MET 82 Cb 0.49 -3.11 0.19 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 1.88 1.85 0.12 2.03 -7.23 -0.57 -4.88 120.40 113.59 2bdi s VAL 83 Ca 0.44 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.66 2bdi s VAL 83 Cb 0.00 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2bdi s VAL 83 CO 0.01 0.00 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.07 2bdi s GLU 84 N -5.58 0.97 0.16 4.82 2.02 -1.26 -2.33 118.70 117.50 2bdi s GLU 84 Ca 0.71 -1.24 -0.22 0.00 0.02 0.00 0.00 54.97 54.23 2bdi s GLU 84 Cb -0.08 -0.73 0.06 0.00 0.10 0.00 0.00 34.13 33.48 2bdi s GLU 84 CO 0.54 0.13 0.59 0.00 0.02 0.00 0.00 175.26 176.54 2bdi s ALA 85 N -2.41 -1.53 0.00 5.21 0.00 -1.04 -0.79 121.76 121.20 2bdi s ALA 85 Ca 0.09 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2bdi s ALA 85 Cb -0.03 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2bdi s ALA 85 CO 0.02 -0.77 0.00 -1.13 0.00 0.00 0.00 175.76 173.87 2bdi n SER 86 N -0.37 0.00 -4.58 0.00 3.41 -1.26 -0.92 113.62 109.90 2bdi n SER 86 Ca -0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.02 2bdi n SER 86 Cb 0.65 0.00 -0.04 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 -0.02 3.98 0.07 1.04 0.20 -1.26 -4.68 118.68 118.02 2bdi s LEU 87 Ca 0.00 0.27 0.10 0.00 0.69 0.00 0.00 54.13 55.19 2bdi s LEU 87 Cb 0.00 -3.23 -0.03 0.00 -0.43 0.00 0.00 46.19 42.50 2bdi s LEU 87 CO 0.00 -1.00 -0.26 -0.94 -0.29 0.00 0.00 176.35 173.86 2bdi s SER 88 N 2.16 3.25 -0.26 3.68 1.04 -1.26 -0.79 113.70 121.51 2bdi s SER 88 Ca 0.38 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 56.20 2bdi s SER 88 Cb -0.10 -0.29 0.07 0.00 0.10 0.00 0.00 66.02 65.80 2bdi s SER 88 CO 0.24 0.24 -0.01 -0.69 0.98 0.00 0.00 173.24 174.00 2bdi s VAL 89 N -0.88 1.57 0.51 5.02 1.01 0.98 -4.99 120.40 123.62 2bdi s VAL 89 Ca 0.13 -1.45 -0.18 0.00 0.00 0.00 0.00 61.98 60.48 2bdi s VAL 89 Cb -0.10 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.26 2bdi s VAL 89 CO 0.03 -0.27 1.00 -0.13 0.00 0.00 0.00 175.10 175.73 2bdi s ARG 90 N 1.34 3.83 0.21 2.72 0.52 -1.26 -1.78 118.95 124.53 2bdi s ARG 90 Ca -0.01 1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 56.00 2bdi s ARG 90 Cb -0.19 -2.11 -0.09 0.00 0.52 0.00 0.00 34.95 33.08 2bdi s ARG 90 CO -0.09 -0.38 1.36 -1.58 0.02 0.00 0.00 175.30 174.63 2bdi s HIS 91 N -2.42 3.17 0.22 -0.53 5.65 -0.92 -4.90 115.29 115.56 2bdi s HIS 91 Ca 0.62 1.14 -0.08 0.00 0.25 0.00 0.00 55.06 56.98 2bdi s HIS 91 Cb -0.12 -3.69 0.34 0.00 -1.18 0.00 0.00 32.58 27.93 2bdi s HIS 91 CO 0.28 -2.20 1.26 -2.30 -0.65 0.00 0.00 174.74 171.13 2bdi n PRO 92 N 2.58 -0.10 -0.32 2.88 -0.02 -1.26 -0.60 135.00 138.15 2bdi n PRO 92 Ca 0.07 1.26 0.05 0.00 -2.02 0.00 0.00 63.50 62.85 2bdi n PRO 92 Cb 0.42 -1.88 0.19 0.00 -0.02 0.00 0.00 33.50 32.21 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 -5.29 2.42 -1.64 -0.52 -0.58 -1.26 -4.97 120.64 108.80 2bdi n GLU 93 Ca 0.12 -1.49 -0.40 0.00 -0.42 0.00 0.00 57.16 54.96 2bdi n GLU 93 Cb 0.39 -1.58 0.02 0.00 -0.57 0.00 0.00 31.44 29.69 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 0.47 1.41 -1.42 -0.32 9.36 0.23 -1.72 117.16 125.18 2bdi n TYR 94 Ca 0.13 0.51 -0.15 0.00 3.32 0.00 0.00 57.90 61.72 2bdi n TYR 94 Cb 0.52 -2.26 -0.06 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 0.14 -5.53 -3.64 2.98 2.85 0.04 -4.93 115.26 107.18 2bdi n ASN 95 Ca 0.09 0.36 -0.29 0.00 -0.11 0.00 0.00 54.58 54.63 2bdi n ASN 95 Cb 0.41 -4.39 -0.15 0.00 1.24 0.00 0.00 39.78 36.89 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 -3.23 0.46 1.09 1.20 1.81 -0.70 -2.82 118.95 116.75 2bdi s ARG 96 Ca 0.00 -0.82 -0.14 0.00 -1.72 0.00 0.00 55.73 53.05 2bdi s ARG 96 Cb 0.00 -1.58 0.24 0.00 -0.45 0.00 0.00 34.95 33.16 2bdi s ARG 96 CO 0.00 -1.01 1.08 -2.14 -0.68 0.00 0.00 175.30 172.55 2bdi s PRO 97 N 1.84 -0.35 -0.13 3.54 0.02 -1.26 -4.86 135.00 133.80 2bdi s PRO 97 Ca 0.10 0.41 -0.40 0.00 0.02 0.00 0.00 61.00 61.12 2bdi s PRO 97 Cb -0.17 -1.66 -0.18 0.00 0.02 0.00 0.00 34.50 32.52 2bdi s PRO 97 CO -0.31 -3.23 1.45 -0.11 -0.33 0.00 0.00 177.00 174.47 2bdi n LEU 98 N -4.50 1.46 0.00 -5.54 7.94 -1.13 -0.69 117.00 114.53 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 0.57 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.45 2bdi n LEU 98 CO 0.55 -1.01 0.00 0.18 -1.11 0.00 0.00 177.39 176.00 2bdi n LEU 99 N 3.39 0.00 -4.73 -1.96 4.77 -1.26 -4.96 117.00 112.25 2bdi n LEU 99 Ca 0.23 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.92 2bdi n LEU 99 Cb 0.11 -0.06 0.15 0.00 -2.33 0.00 0.00 43.42 41.29 2bdi n LEU 99 CO 0.72 0.00 0.68 0.00 -1.33 0.00 0.00 177.39 177.46 2bdi s ALA 100 N -1.81 1.45 -1.48 -1.18 0.00 0.13 -4.18 121.76 114.68 2bdi s ALA 100 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 2bdi s ALA 100 Cb 0.00 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2bdi s ALA 100 CO 0.00 -2.47 0.26 0.09 0.00 0.00 0.00 175.76 173.64 2bdi n ASN 101 N -3.92 0.08 -2.57 0.00 4.13 -1.26 -0.78 115.26 110.94 2bdi n ASN 101 Ca 0.06 -1.12 -0.24 0.00 1.68 0.00 0.00 54.58 54.96 2bdi n ASN 101 Cb 0.58 -2.43 -0.11 0.00 -1.54 0.00 0.00 39.78 36.28 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 -2.93 6.73 -4.29 6.41 2.03 -1.26 -4.18 116.55 119.06 2bdi n ASP 102 Ca -0.30 -2.58 -0.23 0.00 0.52 0.00 0.00 54.79 52.20 2bdi n ASP 102 Cb 0.68 -1.46 -0.12 0.00 -0.72 0.00 0.00 41.12 39.50 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 -0.15 2.34 -0.14 -2.67 2.34 -1.26 -2.55 118.68 116.58 2bdi s LEU 103 Ca 0.67 -0.73 -0.09 0.00 0.06 0.00 0.00 54.13 54.04 2bdi s LEU 103 Cb 0.27 -0.84 0.05 0.00 -0.56 0.00 0.00 46.19 45.11 2bdi s LEU 103 CO -0.04 0.02 0.35 -0.32 -1.06 0.00 0.00 176.35 175.30 2bdi s MET 104 N -2.16 0.35 -0.16 1.48 1.75 0.25 -2.16 119.30 118.65 2bdi s MET 104 Ca 0.08 0.64 -0.16 0.00 -1.25 0.00 0.00 55.69 55.00 2bdi s MET 104 Cb -0.09 0.01 -0.04 0.00 2.84 0.00 0.00 34.83 37.56 2bdi s MET 104 CO 0.05 -0.13 0.40 -0.51 -0.65 0.00 0.00 175.02 174.18 2bdi s LEU 105 N 1.02 4.22 -0.21 4.11 1.43 -0.74 -0.78 118.68 127.74 2bdi s LEU 105 Ca -0.07 0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 53.60 2bdi s LEU 105 Cb -0.07 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2bdi s LEU 105 CO -0.08 -0.01 0.02 -0.63 0.23 0.00 0.00 176.35 175.88 2bdi s ILE 106 N 0.87 4.10 -0.26 -0.59 1.01 0.10 -0.01 121.20 126.42 2bdi s ILE 106 Ca 0.21 -0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.43 2bdi s ILE 106 Cb -0.14 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 2bdi s ILE 106 CO 0.08 0.41 0.50 -0.75 0.00 0.00 0.00 174.94 175.18 2bdi s LYS 107 N 1.13 4.05 0.43 2.79 2.20 0.03 -0.20 119.74 130.17 2bdi s LYS 107 Ca 0.03 0.28 -0.23 0.00 -0.36 0.00 0.00 55.97 55.69 2bdi s LYS 107 Cb -0.14 -3.66 -0.08 0.00 -1.51 0.00 0.00 37.83 32.44 2bdi s LYS 107 CO 0.02 -0.36 1.11 -0.51 -0.36 0.00 0.00 175.35 175.25 2bdi s LEU 108 N 2.29 4.07 0.07 5.43 1.43 -0.52 -4.00 118.68 127.44 2bdi s LEU 108 Ca 0.21 2.17 -0.34 0.00 -1.03 0.00 0.00 54.13 55.13 2bdi s LEU 108 Cb -0.16 -4.22 -0.18 0.00 0.03 0.00 0.00 46.19 41.66 2bdi s LEU 108 CO 0.09 -0.71 1.52 0.44 0.23 0.00 0.00 176.35 177.93 2bdi h ASP 109 N 2.25 -1.18 -3.42 2.29 3.45 -1.31 -3.40 116.42 115.11 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 0.35 -0.26 0.00 -0.56 0.00 0.00 39.33 40.09 2bdi h ASP 109 CO 0.61 -0.70 -0.70 -0.70 -1.57 0.00 0.00 179.24 176.18 2bdi s GLU 110 N -5.71 3.45 0.24 3.56 2.12 -1.26 -5.08 118.70 116.02 2bdi s GLU 110 Ca -0.18 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.26 2bdi s GLU 110 Cb 0.03 -3.02 -0.15 0.00 0.26 0.00 0.00 34.13 31.25 2bdi s GLU 110 CO 0.56 -0.12 1.12 0.45 -0.54 0.00 0.00 175.26 176.73 2bdi n SER 111 N 4.59 1.50 -4.96 -1.70 2.88 -1.26 -4.96 113.62 109.71 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 62.70 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 -0.58 4.34 -0.32 2.46 -7.23 -0.53 -4.97 120.40 113.57 2bdi s VAL 112 Ca 0.66 -0.61 -0.10 0.00 -1.81 0.00 0.00 61.98 60.13 2bdi s VAL 112 Cb -0.76 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 32.61 2bdi s VAL 112 CO 0.55 -0.35 0.15 -0.44 -0.31 0.00 0.00 175.10 174.70 2bdi s SER 113 N -4.15 5.54 -0.73 4.85 0.01 -1.26 -4.81 113.70 113.14 2bdi s SER 113 Ca 0.45 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 2bdi s SER 113 Cb -0.10 -1.99 -0.15 0.00 0.21 0.00 0.00 66.02 63.99 2bdi s SER 113 CO 0.36 -0.23 2.53 -0.62 0.41 0.00 0.00 173.24 175.70 2bdi n GLU 114 N 4.97 0.50 -0.22 12.44 1.02 -1.26 -4.90 120.64 133.19 2bdi n GLU 114 Ca -0.14 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2bdi n GLU 114 Cb 0.48 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 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 12.53 0.00 -0.07 1.62 3.41 -0.32 -4.93 113.62 125.87 2bdi n SER 115 Ca 0.52 -0.32 -0.15 0.00 -0.26 0.00 0.00 58.87 58.66 2bdi n SER 115 Cb 0.25 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.92 -0.47 4.04 -0.00 -1.95 -3.21 116.42 115.75 2bdi h ASP 116 Ca 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 57.03 56.48 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 1.31 0.00 0.35 -0.00 0.00 0.00 179.24 180.90 2bdi n THR 117 N -4.04 0.75 -3.62 2.25 -2.24 -1.26 -4.81 114.28 101.31 2bdi n THR 117 Ca -0.05 -0.88 -0.29 0.00 -2.27 0.00 0.00 64.05 60.56 2bdi n THR 117 Cb 0.63 0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.16 0.49 0.13 2.28 1.01 -1.21 -4.05 121.20 118.68 2bdi s ILE 118 Ca 0.37 -1.38 0.06 0.00 0.00 0.00 0.00 60.65 59.70 2bdi s ILE 118 Cb 0.20 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 2bdi s ILE 118 CO 0.27 -0.78 -0.14 -0.60 0.00 0.00 0.00 174.94 173.70 2bdi s ARG 119 N 1.53 1.04 0.44 2.79 3.52 -0.91 -1.18 118.95 126.18 2bdi s ARG 119 Ca 0.12 -1.27 -0.02 0.00 -0.13 0.00 0.00 55.73 54.42 2bdi s ARG 119 Cb -0.19 -0.89 -0.02 0.00 -1.56 0.00 0.00 34.95 32.28 2bdi s ARG 119 CO -0.21 0.17 0.69 -1.54 -0.81 0.00 0.00 175.30 173.59 2bdi s SER 120 N -2.55 6.12 0.20 -2.12 1.04 -1.26 -2.58 113.70 112.55 2bdi s SER 120 Ca 0.10 0.61 0.09 0.00 0.48 0.00 0.00 55.95 57.23 2bdi s SER 120 Cb -0.04 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 64.06 2bdi s SER 120 CO 0.03 -0.55 -0.18 -0.51 0.98 0.00 0.00 173.24 173.01 2bdi s ILE 121 N -2.58 2.00 0.11 -1.02 2.07 -0.72 -4.91 121.20 116.15 2bdi s ILE 121 Ca 0.46 -2.12 0.00 0.00 -1.41 0.00 0.00 60.65 57.58 2bdi s ILE 121 Cb -0.10 -2.03 -0.04 0.00 0.13 0.00 0.00 42.46 40.42 2bdi s ILE 121 CO 0.40 -0.39 0.26 -0.94 -1.91 0.00 0.00 174.94 172.37 2bdi s SER 122 N -3.02 6.37 -0.08 4.50 1.04 -1.26 -4.50 113.70 116.75 2bdi s SER 122 Ca 0.21 0.28 -0.23 0.00 0.48 0.00 0.00 55.95 56.70 2bdi s SER 122 Cb -0.04 -1.96 -0.04 0.00 0.10 0.00 0.00 66.02 64.08 2bdi s SER 122 CO 0.09 0.11 0.67 -0.63 0.98 0.00 0.00 173.24 174.45 2bdi s ILE 123 N -1.62 5.07 0.29 -1.02 1.01 -1.26 -0.63 121.20 123.03 2bdi s ILE 123 Ca 0.36 1.37 -0.30 0.00 0.00 0.00 0.00 60.65 62.08 2bdi s ILE 123 Cb -0.12 -4.01 -0.13 0.00 0.01 0.00 0.00 42.46 38.22 2bdi s ILE 123 CO 0.28 0.26 1.38 0.00 0.00 0.00 0.00 174.94 176.86 2bdi n ALA 124 N 3.81 1.39 0.30 9.38 0.00 0.10 -4.81 120.51 130.68 2bdi n ALA 124 Ca -0.02 0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.91 2bdi n ALA 124 Cb 0.51 -2.29 -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 1.58 0.33 -4.94 0.00 3.41 -1.26 -4.13 113.62 108.61 2bdi n SER 125 Ca 0.08 -0.31 -0.24 0.00 -0.26 0.00 0.00 58.87 58.14 2bdi n SER 125 Cb 0.34 1.68 -0.02 0.00 -0.26 0.00 0.00 64.21 65.96 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 -3.35 3.50 -0.00 4.33 0.74 -1.26 -4.88 119.66 118.74 2bdi s GLN 127 Ca -0.03 -0.33 -0.10 0.00 0.05 0.00 0.00 55.36 54.95 2bdi s GLN 127 Cb 0.15 -2.69 -0.05 0.00 1.10 0.00 0.00 33.01 31.51 2bdi s GLN 127 CO 0.89 0.19 0.33 0.00 -0.55 0.00 0.00 175.29 176.15 2bdi n PRO 129 N 1.48 0.00 -4.86 0.00 -0.02 -1.26 -4.94 135.00 125.40 2bdi n PRO 129 Ca -0.13 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.02 2bdi n PRO 129 Cb 0.53 -0.66 -0.14 0.00 -0.02 0.00 0.00 33.50 33.21 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 -0.70 3.01 0.33 3.45 -4.23 -1.26 -5.08 115.64 111.16 2bdi s THR 130 Ca 0.42 -0.71 -0.28 0.00 -1.18 0.00 0.00 61.69 59.94 2bdi s THR 130 Cb -0.60 -2.21 -0.12 0.00 1.34 0.00 0.00 72.50 70.90 2bdi s THR 130 CO 0.38 0.56 1.33 0.00 -0.54 0.00 0.00 174.62 176.34 2bdi n ALA 132 N 2.90 1.39 0.00 3.99 0.00 -1.26 -2.09 120.51 125.43 2bdi n ALA 132 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2bdi n ALA 132 Cb 0.52 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 0.96 2.78 3.70 0.00 0.00 0.12 -4.91 105.19 107.84 2bdi n GLY 133 Ca 0.05 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 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 0.44 3.11 -4.73 1.61 2.85 -0.89 -4.48 115.26 113.18 2bdi n ASN 134 Ca 0.00 1.15 -0.36 0.00 -0.11 0.00 0.00 54.58 55.26 2bdi n ASN 134 Cb 0.00 -1.48 -0.08 0.00 1.24 0.00 0.00 39.78 39.46 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 0.33 6.31 0.37 1.20 0.15 -1.26 -0.52 113.70 120.28 2bdi s SER 135 Ca 0.66 0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.69 2bdi s SER 135 Cb -0.60 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 61.57 2bdi s SER 135 CO 0.50 0.14 0.10 0.00 1.20 0.00 0.00 173.24 175.17 2bdi s LEU 137 N 0.00 2.23 0.02 0.00 2.96 -0.57 -0.92 118.68 122.40 2bdi s LEU 137 Ca 0.14 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2bdi s LEU 137 Cb 0.01 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 46.07 2bdi s LEU 137 CO 0.10 -0.01 -0.04 0.54 -1.32 0.00 0.00 176.35 175.62 2bdi s VAL 138 N -1.08 0.26 0.04 1.68 0.11 -0.52 -0.46 120.40 120.43 2bdi s VAL 138 Ca 0.01 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.30 2bdi s VAL 138 Cb -0.09 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2bdi s VAL 138 CO 0.02 -0.31 0.01 -0.94 -3.33 0.00 0.00 175.10 170.55 2bdi s SER 139 N -1.11 0.33 0.00 3.54 1.04 -1.23 -1.54 113.70 114.73 2bdi s SER 139 Ca -0.10 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2bdi s SER 139 Cb -0.07 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2bdi s SER 139 CO -0.00 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2bdi n GLY 140 N 0.63 0.60 1.39 7.32 0.00 -0.33 -4.23 105.19 110.58 2bdi n GLY 140 Ca -0.18 -1.00 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 -0.46 1.52 -1.15 1.61 8.01 -1.26 -1.60 117.44 124.11 2bdi n TRP 141 Ca 0.00 -0.81 -0.29 0.00 -1.31 0.00 0.00 57.50 55.09 2bdi n TRP 141 Cb 0.00 -0.42 0.21 0.00 -2.01 0.00 0.00 31.31 29.10 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 -1.37 1.58 0.45 6.99 0.00 -1.23 -4.30 107.32 109.44 2bdi s GLY 142 Ca 0.49 -0.74 -0.22 0.00 0.00 0.00 0.00 44.72 44.24 2bdi s GLY 142 CO 0.12 0.04 0.78 1.04 0.00 0.00 0.00 173.10 175.07 2bdi n LEU 143 N -4.50 1.49 -5.00 0.66 4.32 0.67 -2.99 117.00 111.66 2bdi n LEU 143 Ca 0.10 0.94 -0.19 0.00 -0.02 0.00 0.00 56.01 56.83 2bdi n LEU 143 Cb 0.59 -1.24 0.03 0.00 -1.62 0.00 0.00 43.42 41.18 2bdi n LEU 143 CO 0.50 -2.23 0.27 -0.76 -1.22 0.00 0.00 177.39 173.95 2bdi s LEU 144 N 0.35 3.42 0.56 2.23 1.43 0.12 -1.63 118.68 125.18 2bdi s LEU 144 Ca 0.65 -0.34 0.32 0.00 -1.03 0.00 0.00 54.13 53.73 2bdi s LEU 144 Cb -0.55 -2.56 1.45 0.00 0.03 0.00 0.00 46.19 44.56 2bdi s LEU 144 CO 0.56 -1.03 1.81 0.00 0.23 0.00 0.00 176.35 177.92 2bdi h ALA 145 N 0.32 2.71 -0.20 4.21 0.00 -1.87 0.67 119.26 125.09 2bdi h ALA 145 Ca -0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2bdi h ALA 145 Cb 1.29 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2bdi h ALA 145 CO 0.46 -1.14 0.00 0.27 0.00 0.00 0.00 179.25 178.85 2bdi n ASN 146 N -3.95 1.45 -0.48 0.00 0.23 -1.26 -4.88 115.26 106.37 2bdi n ASN 146 Ca 0.17 -1.80 -0.06 0.00 -0.53 0.00 0.00 54.58 52.36 2bdi n ASN 146 Cb 1.00 -0.13 -0.03 0.00 -2.08 0.00 0.00 39.78 38.54 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 0.85 3.53 4.83 0.00 0.23 -5.00 105.19 110.66 2bdi n GLY 147 Ca 0.13 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.30 1.94 0.07 1.61 3.00 -1.25 -4.76 118.95 117.27 2bdi s ARG 150 Ca 0.00 -1.22 -0.26 0.00 -1.00 0.00 0.00 55.73 53.25 2bdi s ARG 150 Cb 0.00 -2.15 -0.06 0.00 0.00 0.00 0.00 34.95 32.74 2bdi s ARG 150 CO 0.00 0.46 0.82 -1.64 0.00 0.00 0.00 175.30 174.94 2bdi s MET 151 N -2.49 4.56 0.75 5.12 -1.94 -1.26 0.16 119.30 124.20 2bdi s MET 151 Ca 0.22 1.18 -0.11 0.00 -1.71 0.00 0.00 55.69 55.27 2bdi s MET 151 Cb -0.10 -3.36 0.04 0.00 2.01 0.00 0.00 34.83 33.43 2bdi s MET 151 CO 0.13 0.29 1.09 -1.25 -0.01 0.00 0.00 175.02 175.26 2bdi s PRO 152 N -0.12 2.45 -0.01 2.03 0.04 -1.26 -4.96 135.00 133.17 2bdi s PRO 152 Ca 0.41 0.65 0.16 0.00 0.04 0.00 0.00 61.00 62.25 2bdi s PRO 152 Cb -0.21 -1.96 -0.19 0.00 0.04 0.00 0.00 34.50 32.18 2bdi s PRO 152 CO 0.25 -1.37 0.67 0.25 0.04 0.00 0.00 177.00 176.84 2bdi n THR 153 N -3.26 1.30 -4.44 1.26 -2.24 -1.26 -4.95 114.28 100.68 2bdi n THR 153 Ca 0.07 -0.74 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 2bdi n THR 153 Cb 0.56 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.79 1.45 0.20 2.28 -7.23 -1.26 -3.82 120.40 109.22 2bdi s VAL 154 Ca -0.04 -2.06 -0.32 0.00 -1.81 0.00 0.00 61.98 57.74 2bdi s VAL 154 Cb 0.08 -2.59 -0.11 0.00 0.56 0.00 0.00 36.38 34.32 2bdi s VAL 154 CO 0.82 -0.18 1.66 -0.22 -0.31 0.00 0.00 175.10 176.87 2bdi s LEU 155 N -3.46 4.37 0.22 1.32 2.96 -0.44 -4.85 118.68 118.80 2bdi s LEU 155 Ca 0.32 2.80 0.02 0.00 -0.22 0.00 0.00 54.13 57.05 2bdi s LEU 155 Cb 0.06 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2bdi s LEU 155 CO 0.13 -0.92 0.38 -1.10 -1.32 0.00 0.00 176.35 173.52 2bdi s GLN 156 N 1.01 3.48 0.04 1.98 -1.52 -0.63 -0.57 119.66 123.45 2bdi s GLN 156 Ca 0.72 -0.50 0.05 0.00 -1.95 0.00 0.00 55.36 53.68 2bdi s GLN 156 Cb -0.48 -2.85 -0.02 0.00 -0.22 0.00 0.00 33.01 29.44 2bdi s GLN 156 CO 0.33 0.40 -0.14 0.00 -0.25 0.00 0.00 175.29 175.63 2bdi s VAL 158 N -0.93 0.00 -0.09 0.00 0.11 -0.59 -1.59 120.40 117.31 2bdi s VAL 158 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.05 2bdi s VAL 158 Cb -0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 2bdi s VAL 158 CO 0.01 0.00 -0.06 0.20 -3.33 0.00 0.00 175.10 171.93 2bdi s ASN 159 N -2.12 4.72 0.02 3.54 -0.87 -1.26 -1.44 114.94 117.53 2bdi s ASN 159 Ca 0.02 -0.04 -0.01 0.00 -1.57 0.00 0.00 52.86 51.26 2bdi s ASN 159 Cb -0.01 -1.36 -0.02 0.00 -0.02 0.00 0.00 41.25 39.84 2bdi s ASN 159 CO -0.06 0.31 -0.00 0.68 -2.57 0.00 0.00 177.10 175.46 2bdi s VAL 160 N -0.51 0.10 0.10 1.60 -7.23 -0.10 -4.88 120.40 109.49 2bdi s VAL 160 Ca 0.08 -0.82 0.04 0.00 -1.81 0.00 0.00 61.98 59.46 2bdi s VAL 160 Cb -0.12 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 2bdi s VAL 160 CO 0.02 -0.45 0.07 -0.44 -0.31 0.00 0.00 175.10 173.99 2bdi s SER 161 N -1.36 5.40 0.31 4.85 0.01 -1.26 -0.86 113.70 120.80 2bdi s SER 161 Ca -0.15 -0.08 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 2bdi s SER 161 Cb -0.09 -1.40 -0.10 0.00 0.21 0.00 0.00 66.02 64.64 2bdi s SER 161 CO -0.01 0.15 1.37 -0.69 0.41 0.00 0.00 173.24 174.47 2bdi s VAL 162 N -1.47 2.62 0.10 3.43 1.01 0.33 0.40 120.40 126.82 2bdi s VAL 162 Ca 0.29 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.87 2bdi s VAL 162 Cb -0.11 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2bdi s VAL 162 CO 0.21 0.12 0.23 -0.69 0.00 0.00 0.00 175.10 174.98 2bdi s VAL 163 N -0.76 5.28 0.64 2.92 1.01 0.46 0.11 120.40 130.06 2bdi s VAL 163 Ca 0.53 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 2bdi s VAL 163 Cb -0.41 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2bdi s VAL 163 CO 0.51 0.03 1.15 -0.94 0.00 0.00 0.00 175.10 175.85 2bdi s SER 164 N -2.83 5.09 0.24 3.32 1.04 -1.26 -4.65 113.70 114.63 2bdi s SER 164 Ca 0.34 2.16 -0.07 0.00 0.48 0.00 0.00 55.95 58.86 2bdi s SER 164 Cb -0.12 -2.57 0.27 0.00 0.10 0.00 0.00 66.02 63.70 2bdi s SER 164 CO 0.28 -1.65 1.89 -0.08 0.98 0.00 0.00 173.24 174.65 2bdi h GLU 165 N 0.35 1.10 0.69 4.02 4.81 -1.98 -0.05 114.58 123.51 2bdi h GLU 165 Ca -0.48 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.65 2bdi h GLU 165 Cb 1.27 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2bdi h GLU 165 CO 0.54 0.73 -0.40 1.49 -0.73 0.00 0.00 179.01 180.63 2bdi h GLU 166 N 1.13 -0.98 -0.75 1.92 4.81 -1.99 0.11 114.58 118.83 2bdi h GLU 166 Ca 0.35 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.81 2bdi h GLU 166 Cb -0.01 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 2bdi h GLU 166 CO -0.11 -0.66 0.50 0.28 -0.73 0.00 0.00 179.01 178.29 2bdi h VAL 167 N -1.02 0.77 -0.14 0.32 2.07 -1.81 -1.83 116.25 114.60 2bdi h VAL 167 Ca -0.09 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 2bdi h VAL 167 Cb 0.82 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2bdi h VAL 167 CO 0.10 0.06 -0.25 0.00 0.02 0.00 0.00 177.57 177.51 2bdi h SER 169 N 0.01 0.08 0.06 0.00 4.64 -0.43 -1.94 113.55 115.98 2bdi h SER 169 Ca 0.01 -0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.10 2bdi h SER 169 Cb 0.83 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.91 2bdi h SER 169 CO 0.06 0.62 -0.75 0.11 -0.87 0.00 0.00 176.83 176.00 2bdi h LYS 170 N 0.06 0.40 0.00 4.77 1.57 -1.14 0.13 116.57 122.35 2bdi h LYS 170 Ca -0.00 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2bdi h LYS 170 Cb 1.00 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2bdi h LYS 170 CO 0.08 1.19 -0.02 -0.07 -0.57 0.00 0.00 179.45 180.05 2bdi h LEU 171 N -0.15 0.00 -2.57 2.94 3.38 -0.71 -2.98 115.31 115.21 2bdi h LEU 171 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2bdi h LEU 171 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2bdi h LEU 171 CO 0.14 0.02 0.00 -1.22 0.09 0.00 0.00 178.44 177.47 2bdi n TYR 172 N -3.75 0.00 -1.65 1.13 4.01 -0.74 -5.01 117.16 111.15 2bdi n TYR 172 Ca -0.03 -0.40 -0.43 0.00 -0.16 0.00 0.00 57.90 56.88 2bdi n TYR 172 Cb 0.10 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.40 2.13 -1.26 7.72 -0.08 0.43 -0.81 116.55 124.29 2bdi n ASP 173 Ca 0.00 1.19 0.11 0.00 -1.51 0.00 0.00 54.79 54.58 2bdi n ASP 173 Cb 0.23 -1.40 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 0.59 2.58 0.15 -0.67 -0.04 -1.26 -4.83 135.00 131.51 2bdi n PRO 174 Ca 0.07 -2.46 0.13 0.00 -0.04 0.00 0.00 63.50 61.20 2bdi n PRO 174 Cb 0.35 -1.53 0.45 0.00 -0.04 0.00 0.00 33.50 32.73 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 4.02 0.00 -9.77 1.53 3.38 -1.35 -3.46 115.31 109.67 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 41.71 2bdi h LEU 175 CO 0.00 0.00 0.64 -0.47 0.09 0.00 0.00 178.44 178.70 2bdi s TYR 176 N -3.26 3.20 0.12 1.13 6.14 -0.58 -4.86 117.35 119.24 2bdi s TYR 176 Ca 0.07 1.32 0.02 0.00 0.64 0.00 0.00 57.07 59.12 2bdi s TYR 176 Cb 0.10 -3.61 -0.04 0.00 0.42 0.00 0.00 41.96 38.82 2bdi s TYR 176 CO 0.52 -1.80 -0.04 -1.58 0.64 0.00 0.00 175.55 173.29 2bdi s HIS 177 N -0.46 1.00 -0.96 4.97 2.46 -1.26 -4.95 115.29 116.09 2bdi s HIS 177 Ca 0.53 -0.95 0.05 0.00 0.47 0.00 0.00 55.06 55.16 2bdi s HIS 177 Cb -0.38 -0.57 0.23 0.00 -0.13 0.00 0.00 32.58 31.73 2bdi s HIS 177 CO 0.44 -0.17 1.16 -2.30 -2.47 0.00 0.00 174.74 171.40 2bdi n PRO 178 N -0.11 0.01 -0.53 2.88 -0.02 -1.26 -1.03 135.00 134.94 2bdi n PRO 178 Ca -0.10 0.43 0.03 0.00 -2.02 0.00 0.00 63.50 61.84 2bdi n PRO 178 Cb 0.62 -1.52 0.22 0.00 -0.02 0.00 0.00 33.50 32.80 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 -1.54 3.71 -4.02 2.55 3.41 -1.26 -4.78 113.62 111.69 2bdi n SER 179 Ca 0.01 -2.56 -0.09 0.00 -0.26 0.00 0.00 58.87 55.97 2bdi n SER 179 Cb 0.05 -0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 63.31 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 -2.00 0.95 0.04 4.33 0.23 -0.20 -1.56 119.30 121.09 2bdi s MET 180 Ca 0.31 -1.22 -0.20 0.00 -1.03 0.00 0.00 55.69 53.55 2bdi s MET 180 Cb 0.24 0.31 0.04 0.00 -1.53 0.00 0.00 34.83 33.89 2bdi s MET 180 CO 0.09 -0.30 0.46 -0.59 -2.03 0.00 0.00 175.02 172.65 2bdi s PHE 181 N -3.97 -0.34 0.05 3.16 -0.12 0.21 -4.70 117.98 112.27 2bdi s PHE 181 Ca 0.16 0.36 -0.17 0.00 -0.05 0.00 0.00 56.93 57.23 2bdi s PHE 181 Cb 0.05 0.27 -0.06 0.00 -0.63 0.00 0.00 43.02 42.65 2bdi s PHE 181 CO -0.03 -0.60 0.50 0.00 -0.05 0.00 0.00 175.22 175.05 2bdi s ALA 183 N -1.14 -0.61 0.00 0.00 0.00 -0.88 -0.40 121.76 118.72 2bdi s ALA 183 Ca 0.28 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2bdi s ALA 183 Cb -0.18 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2bdi s ALA 183 CO 0.17 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.21 2bdi n GLY 184 N 3.08 0.35 2.14 0.00 0.00 0.16 -2.57 105.19 108.37 2bdi n GLY 184 Ca -0.14 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 3.83 -0.02 0.00 -1.26 -4.52 105.19 103.79 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 1.67 0.42 -0.02 0.00 -1.26 -0.18 107.32 105.96 2bdi s GLY 186 Ca 0.00 -0.93 0.21 0.00 0.00 0.00 0.00 44.72 44.00 2bdi s GLY 186 CO 0.00 -0.22 1.86 -1.61 0.00 0.00 0.00 173.10 173.13 2bdi h GLN 186 N -1.70 0.00 0.00 2.90 5.75 -1.94 -2.57 115.11 117.54 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 0.47 0.28 0.00 -0.40 -2.65 0.00 0.00 178.83 176.53 2bdi n ASP 186 N -3.66 0.00 -3.95 -0.69 3.85 -1.26 -4.84 116.55 105.99 2bdi n ASP 186 Ca -0.01 -0.48 -0.31 0.00 -0.71 0.00 0.00 54.79 53.27 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 -0.99 -4.89 -3.44 0.11 6.02 -0.97 -4.96 117.38 108.27 2bdi n GLN 187 Ca 0.11 0.54 -0.37 0.00 -0.01 0.00 0.00 57.00 57.27 2bdi n GLN 187 Cb 0.05 -5.40 -0.07 0.00 1.02 0.00 0.00 30.24 25.85 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 4.26 0.10 -1.09 1.02 -1.26 -4.43 119.74 111.67 2bdi s LYS 188 Ca 0.67 0.21 -0.26 0.00 0.02 0.00 0.00 55.97 56.61 2bdi s LYS 188 Cb -0.35 -3.46 0.08 0.00 -0.52 0.00 0.00 37.83 33.59 2bdi s LYS 188 CO 0.83 0.14 1.09 0.34 -0.92 0.00 0.00 175.35 176.82 2bdi s ASP 189 N 0.68 -0.10 0.80 2.83 2.15 -0.89 -4.15 116.67 117.98 2bdi s ASP 189 Ca 0.19 -0.37 -0.07 0.00 0.43 0.00 0.00 52.55 52.73 2bdi s ASP 189 Cb -0.14 0.38 0.14 0.00 -0.30 0.00 0.00 42.92 43.00 2bdi s ASP 189 CO 0.07 -0.72 1.11 -0.44 -0.17 0.00 0.00 175.17 175.02 2bdi s SER 190 N -3.08 4.00 0.00 -0.34 0.01 -1.26 0.80 113.70 113.83 2bdi s SER 190 Ca 0.15 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2bdi s SER 190 Cb 0.00 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2bdi s SER 190 CO 0.01 -2.12 0.00 0.00 0.41 0.00 0.00 173.24 171.54 2bdi n ASN 192 N -1.86 3.24 0.00 0.00 4.13 -1.26 -2.36 115.26 117.15 2bdi n ASN 192 Ca 0.00 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.36 2bdi n ASN 192 Cb 0.00 -1.47 0.00 0.00 -1.54 0.00 0.00 39.78 36.77 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 2.99 0.23 0.66 7.41 0.00 -1.26 -0.24 105.19 114.98 2bdi n GLY 193 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 2.39 -4.64 1.61 8.00 -1.00 -3.52 116.55 119.39 2bdi n ASP 194 Ca 0.00 -1.69 -0.44 0.00 0.71 0.00 0.00 54.79 53.37 2bdi n ASP 194 Cb 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.91 2.04 0.00 -2.24 7.64 -1.26 -0.22 113.62 120.48 2bdi n SER 195 Ca 0.10 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2bdi n SER 195 Cb 0.41 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 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 1.16 1.88 3.68 0.23 0.00 0.30 -1.51 105.19 110.92 2bdi n GLY 196 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 1.63 0.32 -0.02 0.00 0.69 -3.63 107.32 104.31 2bdi s GLY 197 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 44.72 44.67 2bdi s GLY 197 CO 0.00 0.59 0.75 2.56 0.00 0.00 0.00 173.10 177.00 2bdi s PRO 198 N -4.80 4.04 -0.26 2.90 0.04 -1.26 -0.13 135.00 135.53 2bdi s PRO 198 Ca 0.64 0.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.39 2bdi s PRO 198 Cb -0.20 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 31.96 2bdi s PRO 198 CO 0.58 0.17 0.02 -1.17 0.04 0.00 0.00 177.00 176.64 2bdi s LEU 199 N -2.91 2.40 -0.03 -3.56 2.96 -0.29 -3.49 118.68 113.77 2bdi s LEU 199 Ca 0.54 -1.35 -0.13 0.00 -0.22 0.00 0.00 54.13 52.96 2bdi s LEU 199 Cb -0.11 -1.00 -0.05 0.00 0.50 0.00 0.00 46.19 45.53 2bdi s LEU 199 CO 0.17 -0.32 0.35 -0.63 -1.32 0.00 0.00 176.35 174.60 2bdi s ILE 200 N 1.51 5.14 -0.11 6.68 -1.09 0.40 0.15 121.20 133.88 2bdi s ILE 200 Ca 0.02 0.71 -0.03 0.00 -2.23 0.00 0.00 60.65 59.12 2bdi s ILE 200 Cb -0.18 -3.65 0.04 0.00 -1.58 0.00 0.00 42.46 37.09 2bdi s ILE 200 CO -0.13 0.57 0.04 0.00 -1.23 0.00 0.00 174.94 174.19 2bdi n ASN 202 N 5.18 -2.11 0.00 0.00 5.03 -1.26 -1.65 115.26 120.45 2bdi n ASN 202 Ca -0.07 -0.75 0.00 0.00 0.87 0.00 0.00 54.58 54.63 2bdi n ASN 202 Cb 0.49 -4.36 0.00 0.00 -1.02 0.00 0.00 39.78 34.89 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 -1.51 0.22 3.63 7.41 0.00 -1.26 -5.00 105.19 108.67 2bdi n GLY 203 Ca -0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.47 2.72 -0.50 1.61 1.51 -0.66 -4.73 117.35 115.83 2bdi s TYR 208 Ca 0.00 -0.19 -0.29 0.00 -1.01 0.00 0.00 57.07 55.58 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 0.56 1.16 -1.17 -1.11 0.00 0.00 175.55 174.98 2bdi s LEU 209 N -3.19 3.59 -0.19 -1.29 2.96 0.19 0.13 118.68 120.88 2bdi s LEU 209 Ca 0.28 0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2bdi s LEU 209 Cb -0.08 -3.46 -0.22 0.00 0.50 0.00 0.00 46.19 42.93 2bdi s LEU 209 CO 0.18 -1.31 0.07 1.67 -1.32 0.00 0.00 176.35 175.63 2bdi n GLN 210 N 8.00 0.71 -3.90 1.98 -0.06 0.12 0.00 117.38 124.23 2bdi n GLN 210 Ca 0.11 0.21 -0.11 0.00 -2.00 0.00 0.00 57.00 55.21 2bdi n GLN 210 Cb 0.49 -1.61 0.01 0.00 -4.06 0.00 0.00 30.24 25.06 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 -6.05 0.83 0.02 1.69 0.00 -0.86 -2.95 107.32 100.00 2bdi s GLY 211 Ca -0.29 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.44 2bdi s GLY 211 CO 0.68 -0.57 -0.22 1.08 0.00 0.00 0.00 173.10 174.07 2bdi s LEU 212 N -3.15 2.12 -0.15 0.66 1.43 -1.22 -1.13 118.68 117.24 2bdi s LEU 212 Ca 0.21 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 2bdi s LEU 212 Cb -0.04 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 45.03 2bdi s LEU 212 CO 0.15 0.22 1.96 -0.69 0.23 0.00 0.00 176.35 178.22 2bdi s VAL 213 N -0.69 3.23 0.00 -1.59 1.01 0.82 -0.73 120.40 122.44 2bdi s VAL 213 Ca 0.09 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2bdi s VAL 213 Cb -0.09 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2bdi s VAL 213 CO 0.01 -0.11 0.00 -0.24 0.00 0.00 0.00 175.10 174.76 2bdi n SER 214 N 9.50 0.00 -2.87 3.32 2.88 -0.94 0.11 113.62 125.62 2bdi n SER 214 Ca 0.23 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.67 2bdi n SER 214 Cb 0.44 -0.29 0.02 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.74 0.35 0.00 0.66 -0.12 -1.10 -4.87 117.98 112.16 2bdi s PHE 215 Ca 0.00 -0.96 0.00 0.00 -0.05 0.00 0.00 56.93 55.92 2bdi s PHE 215 Cb 0.00 0.67 0.00 0.00 -0.63 0.00 0.00 43.02 43.06 2bdi s PHE 215 CO 0.00 -1.53 0.00 0.41 -0.05 0.00 0.00 175.22 174.05 2bdi n GLY 216 N -0.55 0.49 3.72 1.99 0.00 -1.26 0.14 105.19 109.72 2bdi n GLY 216 Ca -0.07 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 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 1.83 0.11 1.61 1.02 -1.26 -5.02 119.74 116.02 2bdi s LYS 217 Ca 0.00 1.54 0.10 0.00 0.02 0.00 0.00 55.97 57.62 2bdi s LYS 217 Cb 0.00 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.45 2bdi s LYS 217 CO 0.00 -2.03 -0.25 0.00 -0.92 0.00 0.00 175.35 172.16 2bdi s ALA 218 N -2.43 2.15 1.26 5.17 0.00 -1.26 -4.16 121.76 122.49 2bdi s ALA 218 Ca 0.68 -1.35 -0.21 0.00 0.00 0.00 0.00 51.96 51.08 2bdi s ALA 218 Cb -0.24 -0.35 0.31 0.00 0.00 0.00 0.00 23.12 22.85 2bdi s ALA 218 CO 0.51 0.48 1.11 -1.25 0.00 0.00 0.00 175.76 176.61 2bdi s PRO 219 N -1.86 -1.67 0.61 0.00 0.04 -1.26 -5.11 135.00 125.75 2bdi s PRO 219 Ca 0.11 -0.20 -0.15 0.00 0.04 0.00 0.00 61.00 60.80 2bdi s PRO 219 Cb -0.10 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.86 2bdi s PRO 219 CO 0.05 -3.98 1.06 0.00 0.04 0.00 0.00 177.00 174.17 2bdi n GLY 220 N -1.02 -0.28 3.79 0.00 0.00 -1.26 -4.95 105.19 101.46 2bdi n GLY 220 Ca 0.09 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.86 4.44 0.21 1.61 -0.21 -1.26 -4.59 119.66 115.00 2bdi s GLN 221 Ca 0.03 1.06 -0.31 0.00 0.02 0.00 0.00 55.36 56.16 2bdi s GLN 221 Cb -0.01 -3.07 -0.10 0.00 1.00 0.00 0.00 33.01 30.83 2bdi s GLN 221 CO 0.03 0.48 1.47 0.08 -2.12 0.00 0.00 175.29 175.23 2bdi s VAL 222 N -1.34 2.72 0.00 1.09 1.01 -1.26 -1.98 120.40 120.64 2bdi s VAL 222 Ca 0.40 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2bdi s VAL 222 Cb -0.20 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2bdi s VAL 222 CO 0.24 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2bdi n GLY 223 N 2.80 0.85 2.83 4.51 0.00 0.75 -4.95 105.19 111.98 2bdi n GLY 223 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.39 1.89 0.84 1.61 1.01 -0.84 -5.01 120.40 116.51 2bdi s VAL 224 Ca 0.00 -2.75 -0.11 0.00 0.00 0.00 0.00 61.98 59.12 2bdi s VAL 224 Cb 0.00 -2.33 0.10 0.00 0.00 0.00 0.00 36.38 34.15 2bdi s VAL 224 CO 0.00 -0.82 1.09 -2.16 0.00 0.00 0.00 175.10 173.21 2bdi s PRO 225 N 0.25 1.70 0.44 2.72 0.04 -1.26 -4.30 135.00 134.58 2bdi s PRO 225 Ca 0.16 0.95 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 2bdi s PRO 225 Cb -0.24 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2bdi s PRO 225 CO -0.02 -1.97 0.71 0.20 0.04 0.00 0.00 177.00 175.96 2bdi s GLY 226 N -3.44 1.44 -0.12 0.56 0.00 -1.06 -4.66 107.32 100.05 2bdi s GLY 226 Ca 0.62 -0.65 -0.06 0.00 0.00 0.00 0.00 44.72 44.64 2bdi s GLY 226 CO 0.56 -0.52 0.09 0.14 0.00 0.00 0.00 173.10 173.38 2bdi s VAL 227 N -2.60 5.11 0.05 1.40 1.01 0.12 -2.08 120.40 123.41 2bdi s VAL 227 Ca 0.45 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.53 2bdi s VAL 227 Cb -0.10 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2bdi s VAL 227 CO 0.42 0.60 -0.12 -0.31 0.00 0.00 0.00 175.10 175.69 2bdi s TYR 228 N -0.86 1.06 0.09 5.22 1.51 0.11 -2.20 117.35 122.27 2bdi s TYR 228 Ca 0.14 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.49 2bdi s TYR 228 Cb -0.12 -0.62 -0.08 0.00 -0.11 0.00 0.00 41.96 41.03 2bdi s TYR 228 CO 0.03 0.02 1.49 0.99 -1.11 0.00 0.00 175.55 176.97 2bdi s THR 229 N -1.02 3.19 -1.33 -0.71 2.01 0.09 -0.62 115.64 117.24 2bdi s THR 229 Ca -0.02 0.77 -0.17 0.00 0.31 0.00 0.00 61.69 62.58 2bdi s THR 229 Cb -0.08 -3.49 0.05 0.00 0.01 0.00 0.00 72.50 68.99 2bdi s THR 229 CO 0.01 0.03 1.89 -3.20 -0.69 0.00 0.00 174.62 172.66 2bdi n ASN 230 N 4.64 4.53 -0.09 3.53 5.15 -0.60 -3.39 115.26 129.02 2bdi n ASN 230 Ca 0.13 -2.89 0.25 0.00 -0.60 0.00 0.00 54.58 51.48 2bdi n ASN 230 Cb 0.41 -1.71 0.71 0.00 -0.53 0.00 0.00 39.78 38.66 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 12.04 0.00 0.00 1.20 3.38 -1.86 0.22 115.31 130.29 2bdi h LEU 231 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 2bdi h LEU 231 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2bdi h LEU 231 CO 1.58 0.00 0.00 0.00 0.09 0.00 0.00 178.44 180.11 2bdi n LYS 233 N -0.89 1.64 -0.33 0.00 4.76 0.76 -4.55 118.16 119.55 2bdi n LYS 233 Ca 0.04 -0.16 0.08 0.00 -2.87 0.00 0.00 58.31 55.40 2bdi n LYS 233 Cb 0.02 -1.27 0.17 0.00 -1.84 0.00 0.00 35.03 32.10 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 -1.14 0.00 0.39 2.13 3.72 -0.36 -4.81 117.46 117.39 2bdi n PHE 234 Ca 0.04 -1.19 -0.19 0.00 -0.05 0.00 0.00 57.45 56.06 2bdi n PHE 234 Cb 0.27 -0.19 -0.10 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.68 0.00 -0.68 4.37 1.35 -1.80 0.32 112.91 117.15 2bdi h THR 235 Ca -0.00 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.00 2bdi h THR 235 Cb 1.02 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.33 2bdi h THR 235 CO 0.00 0.00 0.09 -0.08 -0.25 0.00 0.00 175.52 175.28 2bdi h GLU 236 N -1.15 0.19 -0.23 4.72 4.81 -1.94 0.17 114.58 121.15 2bdi h GLU 236 Ca -0.09 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2bdi h GLU 236 Cb 0.94 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 2bdi h GLU 236 CO 0.05 0.13 0.11 2.35 -0.73 0.00 0.00 179.01 180.91 2bdi h TRP 237 N 0.20 0.33 -0.60 0.92 7.01 -1.81 -0.12 115.95 121.87 2bdi h TRP 237 Ca 0.37 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.43 2bdi h TRP 237 Cb 0.62 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.54 2bdi h TRP 237 CO -0.31 0.32 0.40 0.82 -2.79 0.00 0.00 178.44 176.88 2bdi h ILE 238 N 0.24 0.97 0.36 2.65 2.04 0.11 -2.21 117.51 121.67 2bdi h ILE 238 Ca 0.08 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2bdi h ILE 238 Cb 0.12 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2bdi h ILE 238 CO -0.01 0.10 -0.17 -0.08 0.00 0.00 0.00 178.15 177.99 2bdi h GLU 239 N 0.55 -0.46 -0.55 2.37 4.57 0.10 -1.69 114.58 119.47 2bdi h GLU 239 Ca 0.26 0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.63 2bdi h GLU 239 Cb 0.34 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2bdi h GLU 239 CO -0.08 -0.30 0.66 -0.22 -1.18 0.00 0.00 179.01 177.89 2bdi h LYS 240 N -1.13 0.00 0.00 1.92 3.64 -0.93 -0.18 116.57 119.89 2bdi h LYS 240 Ca -0.05 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2bdi h LYS 240 Cb 0.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2bdi h LYS 240 CO 0.08 0.00 -0.52 1.15 -2.27 0.00 0.00 179.45 177.89 2bdi h THR 241 N 0.00 0.42 -0.60 1.00 2.02 -1.37 -3.20 112.91 111.18 2bdi h THR 241 Ca 0.26 -1.43 0.07 0.00 0.77 0.00 0.00 66.41 66.08 2bdi h THR 241 Cb 1.57 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 68.82 2bdi h THR 241 CO -0.00 0.14 0.28 0.58 0.37 0.00 0.00 175.52 176.89 2bdi h VAL 242 N -1.00 0.87 0.00 3.16 2.07 -0.53 -3.36 116.25 117.46 2bdi h VAL 242 Ca -0.08 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2bdi h VAL 242 Cb 0.64 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2bdi h VAL 242 CO -0.05 0.09 0.00 1.67 0.02 0.00 0.00 177.57 179.30 2bdi n GLN 243 N -4.91 0.00 0.00 1.57 -0.06 -0.15 -5.10 117.38 108.74 2bdi n GLN 243 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2bdi n GLN 243 Cb 0.22 -0.04 0.00 0.00 -4.06 0.00 0.00 30.24 26.36 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86