#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 5.05 -1.22 1.39 -1.09 0.22 -4.06 121.20 121.49 2bdi s ILE 17 Ca 0.00 0.07 -0.03 0.00 -2.23 0.00 0.00 60.65 58.46 2bdi s ILE 17 Cb 0.00 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2bdi s ILE 17 CO 0.00 0.37 1.04 0.59 -1.23 0.00 0.00 174.94 175.71 2bdi n ASN 18 N 4.22 -3.53 -0.02 3.58 5.03 -1.26 -2.11 115.26 121.18 2bdi n ASN 18 Ca -0.16 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.72 2bdi n ASN 18 Cb 0.52 -4.98 0.00 0.00 -1.02 0.00 0.00 39.78 34.30 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 -1.43 7.73 3.31 7.41 0.00 -1.26 -4.82 105.19 116.13 2bdi n GLY 19 Ca -0.18 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 43.73 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 0.96 1.18 0.08 1.61 2.02 -0.57 -4.92 118.70 119.06 2bdi s GLU 20 Ca 0.00 -1.32 -0.33 0.00 0.02 0.00 0.00 54.97 53.33 2bdi s GLU 20 Cb 0.00 0.34 -0.13 0.00 0.10 0.00 0.00 34.13 34.45 2bdi s GLU 20 CO 0.00 -0.42 1.72 -0.25 0.02 0.00 0.00 175.26 176.33 2bdi n ASP 21 N -0.23 3.39 -4.62 -0.19 9.92 -1.26 -0.29 116.55 123.27 2bdi n ASP 21 Ca -0.04 1.03 -0.36 0.00 -0.53 0.00 0.00 54.79 54.89 2bdi n ASP 21 Cb 0.63 -1.43 0.08 0.00 -0.64 0.00 0.00 41.12 39.77 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 -1.60 6.71 -0.42 0.00 0.15 -1.26 -4.84 113.70 112.45 2bdi s SER 23 Ca 0.74 2.08 -0.39 0.00 0.70 0.00 0.00 55.95 59.09 2bdi s SER 23 Cb -0.35 -2.53 -0.16 0.00 -1.71 0.00 0.00 66.02 61.26 2bdi s SER 23 CO 0.49 -0.91 1.42 -2.65 1.20 0.00 0.00 173.24 172.79 2bdi n PRO 24 N 7.05 0.00 -1.54 5.44 -0.02 -1.26 0.72 135.00 145.39 2bdi n PRO 24 Ca 0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 2bdi n PRO 24 Cb 0.43 -1.25 -0.04 0.00 -0.02 0.00 0.00 33.50 32.63 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 3.93 -0.13 0.82 6.00 8.25 -1.26 -4.88 115.22 127.94 2bdi n HIS 25 Ca 0.30 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.89 2bdi n HIS 25 Cb -0.05 -2.17 0.52 0.00 1.12 0.00 0.00 29.99 29.42 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 0.18 0.26 -3.29 0.41 3.41 0.22 -3.98 113.62 110.83 2bdi n SER 26 Ca -0.11 0.53 -0.25 0.00 -0.26 0.00 0.00 58.87 58.77 2bdi n SER 26 Cb 0.42 -0.60 -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 -1.75 1.68 0.00 4.33 1.13 -1.26 -4.97 117.38 116.54 2bdi n GLN 27 Ca 0.06 -3.98 0.00 0.00 -1.94 0.00 0.00 57.00 51.14 2bdi n GLN 27 Cb 0.34 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 28.93 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 1.04 0.00 0.00 -1.09 -0.04 -1.26 -1.67 135.00 131.98 2bdi n PRO 28 Ca 0.26 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 2bdi n PRO 28 Cb 0.47 -1.51 0.27 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.48 0.00 -2.04 0.54 2.14 -1.07 -2.18 117.44 113.35 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 -0.15 -0.03 0.00 -0.81 0.00 0.00 31.31 30.32 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 -2.72 4.25 -0.11 -2.67 2.00 -0.67 -0.85 119.66 118.89 2bdi s GLN 30 Ca 0.18 2.20 0.02 0.00 -2.00 0.00 0.00 55.36 55.76 2bdi s GLN 30 Cb 0.18 -3.41 -0.01 0.00 0.80 0.00 0.00 33.01 30.57 2bdi s GLN 30 CO 0.61 -0.61 -0.19 0.00 -0.50 0.00 0.00 175.29 174.61 2bdi s ALA 31 N 1.91 2.38 -0.12 1.58 0.00 -0.19 -4.31 121.76 123.01 2bdi s ALA 31 Ca 0.69 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 2bdi s ALA 31 Cb -0.38 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 2bdi s ALA 31 CO 0.30 0.26 0.16 0.00 0.00 0.00 0.00 175.76 176.49 2bdi s ALA 32 N 0.36 3.83 -0.30 0.00 0.00 -0.54 0.10 121.76 125.21 2bdi s ALA 32 Ca -0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 2bdi s ALA 32 Cb -0.17 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 20.95 2bdi s ALA 32 CO 0.07 0.53 0.02 -0.51 0.00 0.00 0.00 175.76 175.88 2bdi s LEU 33 N -0.81 3.89 0.05 0.00 1.02 -0.64 -0.89 118.68 121.30 2bdi s LEU 33 Ca 0.15 -1.15 0.07 0.00 0.02 0.00 0.00 54.13 53.22 2bdi s LEU 33 Cb -0.12 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 2bdi s LEU 33 CO 0.04 -0.25 -0.16 0.68 0.02 0.00 0.00 176.35 176.68 2bdi s VAL 34 N 1.31 2.95 0.00 -1.59 -7.23 -1.15 -1.40 120.40 113.30 2bdi s VAL 34 Ca -0.03 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2bdi s VAL 34 Cb -0.19 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.47 2bdi s VAL 34 CO -0.00 0.30 0.00 0.23 -0.31 0.00 0.00 175.10 175.31 2bdi n MET 35 N 1.38 3.70 -0.24 4.82 2.81 0.10 -3.82 117.12 125.88 2bdi n MET 35 Ca -0.16 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 -0.24 -0.49 0.03 4.71 -1.26 -3.60 120.64 119.79 2bdi n GLU 36 Ca 0.00 0.87 0.00 0.00 -0.01 0.00 0.00 57.16 58.02 2bdi n GLU 36 Cb 0.00 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 2bdi n GLU 36 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2bdi n ASN 37 N -4.73 0.00 -4.15 1.62 4.13 -1.26 -5.13 115.26 105.74 2bdi n ASN 37 Ca 0.02 -1.10 -0.10 0.00 1.68 0.00 0.00 54.58 55.08 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 0.08 3.52 2.12 -1.24 -5.13 118.70 118.83 2bdi s GLU 38 Ca 0.00 -1.30 -0.26 0.00 0.36 0.00 0.00 54.97 53.77 2bdi s GLU 38 Cb 0.00 -0.09 -0.06 0.00 0.26 0.00 0.00 34.13 34.24 2bdi s GLU 38 CO 0.00 -0.04 0.82 -1.17 -0.54 0.00 0.00 175.26 174.33 2bdi s LEU 40 N -2.99 4.48 0.00 2.70 1.98 -1.26 0.03 118.68 123.62 2bdi s LEU 40 Ca 0.10 1.57 0.00 0.00 -2.89 0.00 0.00 54.13 52.91 2bdi s LEU 40 Cb 0.06 -3.34 0.00 0.00 0.66 0.00 0.00 46.19 43.57 2bdi s LEU 40 CO -0.06 0.02 0.02 2.22 -1.89 0.00 0.00 176.35 176.66 2bdi n PHE 41 N 2.62 0.00 -3.81 5.38 -1.74 -0.49 -4.94 117.46 114.47 2bdi n PHE 41 Ca -0.02 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.84 2bdi n PHE 41 Cb 0.50 0.00 0.02 0.00 1.52 0.00 0.00 39.48 41.52 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 -3.07 0.95 0.33 0.00 0.01 -0.68 -1.61 113.70 109.63 2bdi s SER 43 Ca 0.19 -1.56 -0.11 0.00 1.31 0.00 0.00 55.95 55.78 2bdi s SER 43 Cb -0.03 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.67 2bdi s SER 43 CO 0.06 -0.94 0.60 -0.83 0.41 0.00 0.00 173.24 172.53 2bdi s GLY 44 N -3.27 0.79 -0.07 3.44 0.00 0.11 -4.16 107.32 104.16 2bdi s GLY 44 Ca 0.39 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 44.10 2bdi s GLY 44 CO 0.19 -0.62 -0.11 0.14 0.00 0.00 0.00 173.10 172.70 2bdi s VAL 45 N -3.11 1.05 -0.56 1.40 1.01 0.42 -1.02 120.40 119.60 2bdi s VAL 45 Ca 0.22 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 2bdi s VAL 45 Cb -0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2bdi s VAL 45 CO 0.14 0.34 1.84 -0.22 0.00 0.00 0.00 175.10 177.20 2bdi s LEU 46 N 0.89 3.34 0.00 3.92 2.96 -0.03 0.32 118.68 130.08 2bdi s LEU 46 Ca -0.11 0.52 0.20 0.00 -0.22 0.00 0.00 54.13 54.53 2bdi s LEU 46 Cb -0.15 -2.73 0.35 0.00 0.50 0.00 0.00 46.19 44.16 2bdi s LEU 46 CO 0.01 -2.24 1.30 1.33 -1.32 0.00 0.00 176.35 175.43 2bdi n VAL 47 N 7.25 0.44 -3.56 1.68 0.24 -1.00 -1.50 118.33 121.89 2bdi n VAL 47 Ca 0.21 -0.72 -0.07 0.00 -2.04 0.00 0.00 64.34 61.72 2bdi n VAL 47 Cb 0.51 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.88 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 -1.41 -0.25 0.40 6.34 5.65 -1.18 -4.72 115.29 120.11 2bdi s HIS 48 Ca 0.33 0.21 0.12 0.00 0.25 0.00 0.00 55.06 55.97 2bdi s HIS 48 Cb 0.20 0.51 0.94 0.00 -1.18 0.00 0.00 32.58 33.05 2bdi s HIS 48 CO 0.28 -0.36 1.93 -1.35 -0.65 0.00 0.00 174.74 174.59 2bdi h PRO 49 N 2.08 0.52 -0.13 2.88 0.11 -1.92 -2.78 132.00 132.76 2bdi h PRO 49 Ca -0.16 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.88 2bdi h PRO 49 Cb 1.20 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2bdi h PRO 49 CO 0.27 0.35 -0.13 0.94 -0.21 0.00 0.00 178.00 179.22 2bdi n GLN 50 N -4.49 1.81 -3.76 1.05 7.27 -1.26 -1.61 117.38 116.39 2bdi n GLN 50 Ca 0.13 -2.93 -0.14 0.00 0.07 0.00 0.00 57.00 54.13 2bdi n GLN 50 Cb 0.42 -1.67 -0.15 0.00 2.41 0.00 0.00 30.24 31.25 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 -3.03 -0.08 -0.20 3.69 0.52 -1.05 -1.43 118.94 117.36 2bdi s TRP 51 Ca 0.38 0.34 -0.02 0.00 0.02 0.00 0.00 56.10 56.81 2bdi s TRP 51 Cb 0.34 -0.15 -0.00 0.00 -1.15 0.00 0.00 33.47 32.50 2bdi s TRP 51 CO 0.01 -0.14 -0.08 0.08 0.02 0.00 0.00 176.95 176.84 2bdi s VAL 52 N 1.15 3.07 0.14 4.03 1.01 0.67 -2.38 120.40 128.08 2bdi s VAL 52 Ca -0.09 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 2bdi s VAL 52 Cb -0.12 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 2bdi s VAL 52 CO -0.05 0.46 0.70 -0.22 0.00 0.00 0.00 175.10 175.99 2bdi s LEU 53 N 1.32 4.57 0.00 3.92 2.96 0.15 -0.10 118.68 131.50 2bdi s LEU 53 Ca 0.04 1.51 -0.14 0.00 -0.22 0.00 0.00 54.13 55.31 2bdi s LEU 53 Cb -0.14 -3.16 0.06 0.00 0.50 0.00 0.00 46.19 43.44 2bdi s LEU 53 CO -0.04 0.23 0.74 -0.24 -1.32 0.00 0.00 176.35 175.72 2bdi n SER 54 N 1.61 -2.03 -4.71 3.68 2.88 0.17 0.16 113.62 115.38 2bdi n SER 54 Ca -0.07 -2.37 -0.41 0.00 -1.33 0.00 0.00 58.87 54.69 2bdi n SER 54 Cb 0.49 3.37 -0.04 0.00 -0.75 0.00 0.00 64.21 67.29 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 -1.97 3.26 0.50 -1.46 0.00 -1.26 0.12 121.76 120.94 2bdi s ALA 55 Ca 0.15 0.33 0.31 0.00 0.00 0.00 0.00 51.96 52.75 2bdi s ALA 55 Cb -0.04 -3.16 1.41 0.00 0.00 0.00 0.00 23.12 21.33 2bdi s ALA 55 CO 0.10 -0.20 1.80 0.00 0.00 0.00 0.00 175.76 177.46 2bdi h ALA 56 N 6.81 2.83 0.00 0.00 0.00 -1.61 0.34 119.26 127.62 2bdi h ALA 56 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2bdi h ALA 56 Cb 1.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2bdi h ALA 56 CO 0.76 -1.19 0.00 -2.39 0.00 0.00 0.00 179.25 176.43 2bdi n HIS 57 N -4.34 0.00 0.31 0.00 1.44 -1.26 -2.57 115.22 108.80 2bdi n HIS 57 Ca 0.25 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.02 2bdi n HIS 57 Cb 1.12 -0.06 0.07 0.00 0.12 0.00 0.00 29.99 31.25 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 0.61 1.34 -4.19 0.00 7.35 -1.06 -5.01 117.46 116.50 2bdi n PHE 59 Ca 0.08 0.68 -0.15 0.00 -0.76 0.00 0.00 57.45 57.30 2bdi n PHE 59 Cb 0.32 -2.27 -0.08 0.00 0.35 0.00 0.00 39.48 37.80 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 -1.16 1.52 0.08 -4.13 -1.52 -1.26 -5.05 119.66 108.15 2bdi s GLN 60 Ca 0.63 -1.74 0.12 0.00 -1.95 0.00 0.00 55.36 52.43 2bdi s GLN 60 Cb -0.74 0.33 -0.15 0.00 -0.22 0.00 0.00 33.01 32.24 2bdi s GLN 60 CO 0.57 -0.56 1.01 -0.91 -0.25 0.00 0.00 175.29 175.16 2bdi h ASN 61 N 2.35 0.00 -4.10 5.90 2.35 -1.95 -3.46 115.58 116.67 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 0.44 0.81 -0.18 -0.94 -1.65 0.00 0.00 177.43 175.91 2bdi s SER 62 N -6.26 -0.44 0.26 5.81 1.04 -1.26 -4.60 113.70 108.26 2bdi s SER 62 Ca -0.01 0.78 0.11 0.00 0.48 0.00 0.00 55.95 57.32 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 -0.22 -0.17 -0.31 0.98 0.00 0.00 173.24 174.32 2bdi s TYR 63 N -0.05 2.36 -0.55 5.02 1.51 0.22 -5.00 117.35 120.86 2bdi s TYR 63 Ca -0.02 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2bdi s TYR 63 Cb -0.03 -1.05 0.14 0.00 -0.11 0.00 0.00 41.96 40.91 2bdi s TYR 63 CO 0.02 0.67 0.33 0.99 -1.11 0.00 0.00 175.55 176.44 2bdi s THR 64 N -2.33 2.28 0.08 -0.71 2.01 -1.25 -2.53 115.64 113.19 2bdi s THR 64 Ca 0.29 -3.38 -0.29 0.00 0.31 0.00 0.00 61.69 58.61 2bdi s THR 64 Cb -0.06 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2bdi s THR 64 CO 0.15 -0.90 0.95 -0.63 -0.69 0.00 0.00 174.62 173.49 2bdi s ILE 65 N -0.46 4.60 -0.25 1.82 1.01 -0.98 -2.93 121.20 124.01 2bdi s ILE 65 Ca 0.20 2.03 -0.05 0.00 0.00 0.00 0.00 60.65 62.83 2bdi s ILE 65 Cb -0.18 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 37.99 2bdi s ILE 65 CO -0.06 0.29 -0.00 -0.83 0.00 0.00 0.00 174.94 174.34 2bdi s GLY 66 N 0.21 1.68 0.20 6.18 0.00 -0.07 -1.80 107.32 113.72 2bdi s GLY 66 Ca 0.47 -1.30 0.06 0.00 0.00 0.00 0.00 44.72 43.95 2bdi s GLY 66 CO 0.29 0.52 0.18 1.08 0.00 0.00 0.00 173.10 175.17 2bdi s LEU 67 N 1.47 3.88 -1.70 0.66 1.43 -0.66 -1.47 118.68 122.29 2bdi s LEU 67 Ca 0.04 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2bdi s LEU 67 Cb -0.16 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2bdi s LEU 67 CO -0.01 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2bdi n GLY 69 N -0.74 1.54 3.95 -3.19 0.00 -1.26 -1.83 105.19 103.66 2bdi n GLY 69 Ca -0.08 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.72 2.97 0.00 0.99 1.43 -1.26 -4.11 118.68 114.98 2bdi s LEU 70 Ca 0.00 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2bdi s LEU 70 Cb 0.00 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.48 2bdi s LEU 70 CO 0.00 -1.62 0.00 1.57 0.23 0.00 0.00 176.35 176.53 2bdi n HIS 71 N -2.81 -0.35 -4.28 0.29 -0.00 -1.26 -4.66 115.22 102.15 2bdi n HIS 71 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.56 2bdi n HIS 71 Cb 0.60 0.15 -0.08 0.00 -0.00 0.00 0.00 29.99 30.65 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 -2.50 4.41 0.56 0.26 1.04 -1.26 -1.19 113.70 115.02 2bdi s SER 72 Ca 0.00 -0.57 0.34 0.00 0.48 0.00 0.00 55.95 56.20 2bdi s SER 72 Cb 0.00 -0.80 1.60 0.00 0.10 0.00 0.00 66.02 66.92 2bdi s SER 72 CO 0.00 0.07 2.08 -0.07 0.98 0.00 0.00 173.24 176.31 2bdi h LEU 73 N 2.61 0.00 -7.69 2.42 3.38 -1.95 -3.38 115.31 110.70 2bdi h LEU 73 Ca -0.46 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.20 2bdi h LEU 73 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2bdi h LEU 73 CO 0.57 0.05 1.00 -0.62 0.09 0.00 0.00 178.44 179.52 2bdi n GLU 74 N -3.26 1.03 -0.32 1.13 -0.58 -1.26 -4.81 120.64 112.58 2bdi n GLU 74 Ca -0.01 -2.04 0.20 0.00 -0.42 0.00 0.00 57.16 54.89 2bdi n GLU 74 Cb 0.25 -3.56 0.40 0.00 -0.57 0.00 0.00 31.44 27.96 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 9.99 1.62 -0.23 0.62 0.00 -1.95 -1.55 119.26 127.77 2bdi h ALA 74 Ca 0.19 0.24 -0.29 0.00 0.00 0.00 0.00 54.91 55.06 2bdi h ALA 74 Cb 0.89 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 2bdi h ALA 74 CO 1.35 -0.61 0.00 -0.40 0.00 0.00 0.00 179.25 179.59 2bdi n ASP 75 N -5.23 5.80 0.00 0.00 5.75 -1.26 -2.21 116.55 119.39 2bdi n ASP 75 Ca 0.28 -2.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.27 2bdi n ASP 75 Cb 0.90 -1.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 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 1.62 0.00 -3.98 0.11 6.02 -0.58 -5.06 117.38 115.52 2bdi n GLN 76 Ca 0.39 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.09 2bdi n GLN 76 Cb 0.72 -0.14 -0.16 0.00 1.02 0.00 0.00 30.24 31.67 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 1.98 0.00 -1.09 0.41 -0.94 -5.02 118.70 114.03 2bdi s GLU 77 Ca 0.00 -0.64 0.00 0.00 -0.41 0.00 0.00 54.97 53.92 2bdi s GLU 77 Cb 0.00 -2.17 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 2bdi s GLU 77 CO 0.00 -0.35 0.00 -2.30 -0.49 0.00 0.00 175.26 172.12 2bdi n PRO 78 N 4.77 0.00 0.00 0.39 -0.02 -1.26 -2.94 135.00 135.94 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 -0.17 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 2bdi n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bdi n GLY 79 N 0.00 0.00 3.76 -1.23 0.00 -1.26 -4.75 105.19 101.70 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 -1.49 5.54 -0.13 1.61 1.04 -1.15 -4.74 113.70 114.38 2bdi s SER 80 Ca 0.00 2.58 -0.04 0.00 0.48 0.00 0.00 55.95 58.97 2bdi s SER 80 Cb 0.00 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.55 2bdi s SER 80 CO 0.00 -1.37 0.10 -1.10 0.98 0.00 0.00 173.24 171.85 2bdi s GLN 81 N -2.88 0.03 -1.27 4.02 -0.21 -0.76 -5.00 119.66 113.58 2bdi s GLN 81 Ca 0.70 0.12 -0.13 0.00 0.02 0.00 0.00 55.36 56.06 2bdi s GLN 81 Cb -0.36 -1.29 0.14 0.00 1.00 0.00 0.00 33.01 32.50 2bdi s GLN 81 CO 0.42 -0.55 1.71 -1.33 -2.12 0.00 0.00 175.29 173.42 2bdi n MET 82 N 5.29 3.36 -1.36 2.91 2.81 -1.26 -1.65 117.12 127.22 2bdi n MET 82 Ca -0.06 -3.52 -0.30 0.00 -1.81 0.00 0.00 57.70 52.02 2bdi n MET 82 Cb 0.49 -3.12 0.22 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 1.87 1.73 0.10 2.03 -7.23 -0.74 -4.88 120.40 113.28 2bdi s VAL 83 Ca 0.44 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.65 2bdi s VAL 83 Cb 0.04 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2bdi s VAL 83 CO 0.01 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.08 2bdi s GLU 84 N -5.56 0.86 0.17 4.82 2.02 -1.26 -2.32 118.70 117.42 2bdi s GLU 84 Ca 0.72 -1.15 -0.22 0.00 0.02 0.00 0.00 54.97 54.34 2bdi s GLU 84 Cb -0.08 -0.58 0.06 0.00 0.10 0.00 0.00 34.13 33.63 2bdi s GLU 84 CO 0.55 0.09 0.58 0.00 0.02 0.00 0.00 175.26 176.50 2bdi s ALA 85 N -2.34 -1.45 0.00 5.21 0.00 -1.05 -1.15 121.76 120.98 2bdi s ALA 85 Ca 0.05 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2bdi s ALA 85 Cb -0.03 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.94 2bdi s ALA 85 CO 0.00 -0.78 0.00 -1.13 0.00 0.00 0.00 175.76 173.86 2bdi n SER 86 N -0.36 0.00 -4.58 0.00 3.41 -1.26 -0.61 113.62 110.21 2bdi n SER 86 Ca -0.15 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 -0.21 3.90 0.05 1.04 0.20 -1.26 -4.67 118.68 117.73 2bdi s LEU 87 Ca 0.00 0.33 0.09 0.00 0.69 0.00 0.00 54.13 55.24 2bdi s LEU 87 Cb 0.00 -3.31 -0.03 0.00 -0.43 0.00 0.00 46.19 42.42 2bdi s LEU 87 CO 0.00 -1.07 -0.26 -0.94 -0.29 0.00 0.00 176.35 173.80 2bdi s SER 88 N 2.23 3.21 -0.24 3.68 1.04 -1.26 -0.53 113.70 121.83 2bdi s SER 88 Ca 0.40 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 56.26 2bdi s SER 88 Cb -0.10 -0.31 0.06 0.00 0.10 0.00 0.00 66.02 65.77 2bdi s SER 88 CO 0.26 0.26 -0.05 -0.69 0.98 0.00 0.00 173.24 174.00 2bdi s VAL 89 N -0.82 1.50 0.50 5.02 1.01 0.10 -4.99 120.40 122.73 2bdi s VAL 89 Ca 0.12 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.73 2bdi s VAL 89 Cb -0.10 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 34.42 2bdi s VAL 89 CO 0.02 -0.12 0.93 -0.13 0.00 0.00 0.00 175.10 175.81 2bdi s ARG 90 N 1.40 3.87 0.25 2.72 0.52 -1.26 -0.92 118.95 125.54 2bdi s ARG 90 Ca -0.05 0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 55.67 2bdi s ARG 90 Cb -0.19 -2.20 -0.09 0.00 0.52 0.00 0.00 34.95 32.99 2bdi s ARG 90 CO -0.06 -0.24 1.30 -1.58 0.02 0.00 0.00 175.30 174.74 2bdi s HIS 91 N -2.61 3.20 0.22 -0.53 5.65 -0.80 -4.91 115.29 115.51 2bdi s HIS 91 Ca 0.57 1.31 -0.09 0.00 0.25 0.00 0.00 55.06 57.09 2bdi s HIS 91 Cb -0.10 -3.62 0.32 0.00 -1.18 0.00 0.00 32.58 28.01 2bdi s HIS 91 CO 0.33 -1.82 1.30 -2.30 -0.65 0.00 0.00 174.74 171.60 2bdi n PRO 92 N 1.89 -0.11 -0.24 2.88 -0.02 -1.26 -0.87 135.00 137.26 2bdi n PRO 92 Ca 0.04 1.29 0.05 0.00 -2.02 0.00 0.00 63.50 62.86 2bdi n PRO 92 Cb 0.42 -1.93 0.17 0.00 -0.02 0.00 0.00 33.50 32.14 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 -5.31 2.09 -1.62 -0.52 -0.58 -1.26 -4.98 120.64 108.45 2bdi n GLU 93 Ca 0.12 -1.34 -0.42 0.00 -0.42 0.00 0.00 57.16 55.10 2bdi n GLU 93 Cb 0.39 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 29.84 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 0.48 1.33 -1.35 -0.32 9.36 -0.05 -1.76 117.16 124.84 2bdi n TYR 94 Ca 0.12 0.58 -0.13 0.00 3.32 0.00 0.00 57.90 61.79 2bdi n TYR 94 Cb 0.40 -2.25 -0.06 0.00 -0.63 0.00 0.00 39.34 36.80 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 0.62 -5.26 -3.67 2.98 2.85 0.51 -4.93 115.26 108.37 2bdi n ASN 95 Ca 0.09 0.32 -0.30 0.00 -0.11 0.00 0.00 54.58 54.59 2bdi n ASN 95 Cb 0.38 -4.13 -0.15 0.00 1.24 0.00 0.00 39.78 37.12 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 -3.06 0.57 0.99 1.20 1.81 -0.72 -2.89 118.95 116.86 2bdi s ARG 96 Ca 0.00 -0.96 -0.12 0.00 -1.72 0.00 0.00 55.73 52.93 2bdi s ARG 96 Cb 0.00 -1.73 0.19 0.00 -0.45 0.00 0.00 34.95 32.95 2bdi s ARG 96 CO 0.00 -1.01 1.10 -2.14 -0.68 0.00 0.00 175.30 172.57 2bdi s PRO 97 N 1.69 0.47 -0.13 3.54 0.02 -1.26 -4.86 135.00 134.47 2bdi s PRO 97 Ca 0.10 0.49 -0.40 0.00 0.02 0.00 0.00 61.00 61.21 2bdi s PRO 97 Cb -0.17 -1.74 -0.18 0.00 0.02 0.00 0.00 34.50 32.42 2bdi s PRO 97 CO -0.27 -2.70 1.42 -0.11 -0.33 0.00 0.00 177.00 175.02 2bdi n LEU 98 N -4.15 1.36 0.00 -5.54 7.94 -1.14 0.13 117.00 115.61 2bdi n LEU 98 Ca 0.05 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 2bdi n LEU 98 Cb 0.57 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.46 2bdi n LEU 98 CO 0.57 -1.06 0.00 0.18 -1.11 0.00 0.00 177.39 175.97 2bdi n LEU 99 N 3.26 0.00 -4.85 -1.96 4.77 -1.26 -4.96 117.00 112.00 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 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.25 2bdi n LEU 99 CO 0.71 0.00 0.77 0.00 -1.33 0.00 0.00 177.39 177.55 2bdi s ALA 100 N -2.54 2.13 -1.56 -1.18 0.00 0.12 -4.19 121.76 114.54 2bdi s ALA 100 Ca 0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 2bdi s ALA 100 Cb 0.00 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 20.25 2bdi s ALA 100 CO 0.00 -2.18 0.45 0.09 0.00 0.00 0.00 175.76 174.13 2bdi n ASN 101 N -3.66 -1.05 -2.37 0.00 4.13 -1.26 -0.37 115.26 110.68 2bdi n ASN 101 Ca 0.09 -1.08 -0.19 0.00 1.68 0.00 0.00 54.58 55.08 2bdi n ASN 101 Cb 0.60 -2.56 -0.13 0.00 -1.54 0.00 0.00 39.78 36.15 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 -2.83 6.10 -4.35 6.41 -0.08 -1.26 -4.18 116.55 116.37 2bdi n ASP 102 Ca -0.17 -2.49 -0.24 0.00 -1.51 0.00 0.00 54.79 50.38 2bdi n ASP 102 Cb 0.61 -1.43 -0.12 0.00 2.34 0.00 0.00 41.12 42.52 2bdi n ASP 102 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 2bdi s LEU 103 N 0.05 2.39 -0.13 -2.67 2.34 -1.26 -2.49 118.68 116.90 2bdi s LEU 103 Ca 0.66 -0.81 -0.10 0.00 0.06 0.00 0.00 54.13 53.95 2bdi s LEU 103 Cb 0.28 -0.96 0.04 0.00 -0.56 0.00 0.00 46.19 44.99 2bdi s LEU 103 CO -0.02 0.05 0.34 -0.32 -1.06 0.00 0.00 176.35 175.34 2bdi s MET 104 N -2.47 0.36 -0.20 1.48 1.75 0.33 -1.90 119.30 118.65 2bdi s MET 104 Ca 0.14 0.55 -0.14 0.00 -1.25 0.00 0.00 55.69 54.99 2bdi s MET 104 Cb -0.08 0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.64 2bdi s MET 104 CO 0.07 -0.09 0.33 -0.51 -0.65 0.00 0.00 175.02 174.16 2bdi s LEU 105 N 0.63 4.16 -0.24 4.11 1.43 -0.09 -0.66 118.68 128.02 2bdi s LEU 105 Ca -0.04 0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2bdi s LEU 105 Cb -0.05 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 2bdi s LEU 105 CO -0.04 -0.01 0.09 -0.63 0.23 0.00 0.00 176.35 175.99 2bdi s ILE 106 N 1.09 4.59 -0.25 -0.59 1.01 0.86 0.03 121.20 127.93 2bdi s ILE 106 Ca 0.16 -0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 2bdi s ILE 106 Cb -0.14 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2bdi s ILE 106 CO 0.06 0.35 0.53 -0.75 0.00 0.00 0.00 174.94 175.14 2bdi s LYS 107 N 1.37 4.09 0.43 2.79 2.20 0.31 -0.24 119.74 130.68 2bdi s LYS 107 Ca 0.06 0.37 -0.24 0.00 -0.36 0.00 0.00 55.97 55.80 2bdi s LYS 107 Cb -0.15 -3.64 -0.08 0.00 -1.51 0.00 0.00 37.83 32.45 2bdi s LYS 107 CO 0.04 -0.34 1.14 -0.51 -0.36 0.00 0.00 175.35 175.32 2bdi s LEU 108 N 2.28 4.08 0.06 5.43 1.43 -0.51 -4.04 118.68 127.41 2bdi s LEU 108 Ca 0.22 2.25 -0.33 0.00 -1.03 0.00 0.00 54.13 55.25 2bdi s LEU 108 Cb -0.16 -4.18 -0.17 0.00 0.03 0.00 0.00 46.19 41.71 2bdi s LEU 108 CO 0.09 -0.76 1.49 0.44 0.23 0.00 0.00 176.35 177.84 2bdi h ASP 109 N 2.28 -1.10 -3.42 2.29 3.45 -1.48 -3.40 116.42 115.04 2bdi h ASP 109 Ca -0.49 0.06 -0.65 0.00 0.43 0.00 0.00 57.03 56.38 2bdi h ASP 109 Cb 1.24 0.32 -0.25 0.00 -0.56 0.00 0.00 39.33 40.08 2bdi h ASP 109 CO 0.61 -0.67 -0.69 -0.70 -1.57 0.00 0.00 179.24 176.22 2bdi s GLU 110 N -5.57 3.50 0.26 3.56 2.12 -1.26 -5.09 118.70 116.22 2bdi s GLU 110 Ca -0.17 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.29 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 -0.07 1.12 0.45 -0.54 0.00 0.00 175.26 176.75 2bdi n SER 111 N 4.45 1.63 -4.96 -1.70 2.88 -1.26 -4.95 113.62 109.71 2bdi n SER 111 Ca -0.18 1.17 -0.23 0.00 -1.33 0.00 0.00 58.87 58.31 2bdi n SER 111 Cb 0.51 -1.31 -0.00 0.00 -0.75 0.00 0.00 64.21 62.66 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 -0.73 4.56 -0.31 2.46 -7.23 -0.63 -4.97 120.40 113.55 2bdi s VAL 112 Ca 0.63 -0.60 -0.09 0.00 -1.81 0.00 0.00 61.98 60.11 2bdi s VAL 112 Cb -0.72 -3.65 -0.00 0.00 0.56 0.00 0.00 36.38 32.57 2bdi s VAL 112 CO 0.57 -0.40 0.14 -0.44 -0.31 0.00 0.00 175.10 174.66 2bdi s SER 113 N -4.12 5.45 -0.70 4.85 0.01 -1.26 -4.81 113.70 113.12 2bdi s SER 113 Ca 0.43 -0.59 -0.29 0.00 1.31 0.00 0.00 55.95 56.81 2bdi s SER 113 Cb -0.10 -1.97 -0.14 0.00 0.21 0.00 0.00 66.02 64.02 2bdi s SER 113 CO 0.35 -0.20 2.51 -0.62 0.41 0.00 0.00 173.24 175.70 2bdi n GLU 114 N 4.95 0.58 -0.16 12.44 1.02 -1.26 -4.90 120.64 133.31 2bdi n GLU 114 Ca -0.14 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2bdi n GLU 114 Cb 0.49 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 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 12.79 0.00 -0.06 1.62 3.41 -0.46 -4.93 113.62 125.99 2bdi n SER 115 Ca 0.50 -0.22 -0.16 0.00 -0.26 0.00 0.00 58.87 58.73 2bdi n SER 115 Cb 0.28 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.97 -0.51 4.04 -0.00 -1.95 -3.21 116.42 115.76 2bdi h ASP 116 Ca 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 57.03 56.46 2bdi h ASP 116 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.05 2bdi h ASP 116 CO 0.00 1.37 0.00 0.35 -0.00 0.00 0.00 179.24 180.96 2bdi n THR 117 N -3.98 0.90 -3.56 2.25 -2.24 -1.26 -4.82 114.28 101.57 2bdi n THR 117 Ca -0.06 -0.95 -0.29 0.00 -2.27 0.00 0.00 64.05 60.48 2bdi n THR 117 Cb 0.68 0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 69.36 2bdi n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2bdi s ILE 118 N -1.05 0.33 0.12 2.28 1.01 -1.21 -4.03 121.20 118.65 2bdi s ILE 118 Ca 0.36 -1.43 0.06 0.00 0.00 0.00 0.00 60.65 59.63 2bdi s ILE 118 Cb 0.19 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2bdi s ILE 118 CO 0.25 -0.84 -0.15 -0.60 0.00 0.00 0.00 174.94 173.61 2bdi s ARG 119 N 1.43 1.02 0.44 2.79 3.52 -0.93 -1.36 118.95 125.87 2bdi s ARG 119 Ca 0.14 -1.22 -0.02 0.00 -0.13 0.00 0.00 55.73 54.49 2bdi s ARG 119 Cb -0.20 -0.94 -0.02 0.00 -1.56 0.00 0.00 34.95 32.23 2bdi s ARG 119 CO -0.16 0.18 0.69 -1.54 -0.81 0.00 0.00 175.30 173.67 2bdi s SER 120 N -2.39 6.09 0.18 -2.12 1.04 -1.26 -2.60 113.70 112.64 2bdi s SER 120 Ca 0.08 0.59 0.08 0.00 0.48 0.00 0.00 55.95 57.19 2bdi s SER 120 Cb -0.06 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 2bdi s SER 120 CO 0.03 -0.58 -0.17 -0.51 0.98 0.00 0.00 173.24 172.99 2bdi s ILE 121 N -2.59 1.83 0.07 -1.02 2.07 -0.56 -4.91 121.20 116.08 2bdi s ILE 121 Ca 0.46 -2.00 -0.00 0.00 -1.41 0.00 0.00 60.65 57.70 2bdi s ILE 121 Cb -0.10 -1.90 -0.04 0.00 0.13 0.00 0.00 42.46 40.55 2bdi s ILE 121 CO 0.40 -0.38 0.23 -0.94 -1.91 0.00 0.00 174.94 172.34 2bdi s SER 122 N -2.83 6.37 -0.04 4.50 1.04 -1.26 -4.46 113.70 117.02 2bdi s SER 122 Ca 0.18 0.30 -0.22 0.00 0.48 0.00 0.00 55.95 56.68 2bdi s SER 122 Cb -0.05 -1.97 -0.04 0.00 0.10 0.00 0.00 66.02 64.06 2bdi s SER 122 CO 0.07 0.16 0.66 -0.63 0.98 0.00 0.00 173.24 174.48 2bdi s ILE 123 N -1.52 4.99 0.23 -1.02 1.01 -1.26 -0.48 121.20 123.15 2bdi s ILE 123 Ca 0.36 1.38 -0.31 0.00 0.00 0.00 0.00 60.65 62.07 2bdi s ILE 123 Cb -0.13 -4.01 -0.13 0.00 0.01 0.00 0.00 42.46 38.20 2bdi s ILE 123 CO 0.28 0.31 1.41 0.00 0.00 0.00 0.00 174.94 176.93 2bdi n ALA 124 N 3.42 1.05 0.17 9.38 0.00 0.43 -4.80 120.51 130.16 2bdi n ALA 124 Ca -0.03 0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.93 2bdi n ALA 124 Cb 0.51 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.56 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 2.22 0.26 -4.91 0.00 3.41 -1.26 -4.24 113.62 109.10 2bdi n SER 125 Ca 0.12 -0.10 -0.28 0.00 -0.26 0.00 0.00 58.87 58.35 2bdi n SER 125 Cb 0.31 1.61 -0.03 0.00 -0.26 0.00 0.00 64.21 65.84 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 -3.41 3.62 0.68 4.33 0.74 -1.26 -4.89 119.66 119.46 2bdi s GLN 127 Ca -0.04 -0.02 -0.10 0.00 0.05 0.00 0.00 55.36 55.24 2bdi s GLN 127 Cb 0.14 -2.64 0.01 0.00 1.10 0.00 0.00 33.01 31.62 2bdi s GLN 127 CO 0.88 0.19 1.06 0.00 -0.55 0.00 0.00 175.29 176.87 2bdi n PRO 129 N -2.91 2.01 -4.86 0.00 -0.02 -1.26 -5.02 135.00 122.94 2bdi n PRO 129 Ca 0.06 0.72 -0.33 0.00 -2.02 0.00 0.00 63.50 61.93 2bdi n PRO 129 Cb 0.57 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 2bdi n PRO 129 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2bdi s THR 130 N -1.21 2.98 0.33 3.45 -4.23 -1.26 -5.07 115.64 110.63 2bdi s THR 130 Ca 0.62 -0.71 -0.28 0.00 -1.18 0.00 0.00 61.69 60.14 2bdi s THR 130 Cb -0.47 -2.21 -0.12 0.00 1.34 0.00 0.00 72.50 71.03 2bdi s THR 130 CO 0.57 0.55 1.30 0.00 -0.54 0.00 0.00 174.62 176.50 2bdi n ALA 132 N 3.04 1.31 0.00 3.99 0.00 -1.26 -1.89 120.51 125.70 2bdi n ALA 132 Ca -0.18 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2bdi n ALA 132 Cb 0.52 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 0.87 2.85 3.71 0.00 0.00 0.18 -4.91 105.19 107.89 2bdi n GLY 133 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 0.36 3.28 -4.75 1.61 2.85 -0.79 -4.50 115.26 113.32 2bdi n ASN 134 Ca 0.00 1.16 -0.36 0.00 -0.11 0.00 0.00 54.58 55.27 2bdi n ASN 134 Cb 0.00 -1.52 -0.07 0.00 1.24 0.00 0.00 39.78 39.43 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 0.29 6.37 0.00 1.20 0.15 -1.26 -0.16 113.70 120.28 2bdi s SER 135 Ca 0.64 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.72 2bdi s SER 135 Cb -0.57 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2bdi s SER 135 CO 0.51 0.17 0.00 0.00 1.20 0.00 0.00 173.24 175.12 2bdi s LEU 137 N 0.00 2.09 0.01 0.00 2.96 -0.27 -2.59 118.68 120.89 2bdi s LEU 137 Ca 0.00 -0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2bdi s LEU 137 Cb 0.00 0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.89 2bdi s LEU 137 CO 0.00 -0.30 -0.01 0.54 -1.32 0.00 0.00 176.35 175.26 2bdi s VAL 138 N -1.37 0.06 0.04 1.68 0.11 -0.49 -0.30 120.40 120.14 2bdi s VAL 138 Ca -0.15 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 2bdi s VAL 138 Cb -0.09 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2bdi s VAL 138 CO -0.00 -0.27 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.52 2bdi s SER 139 N -0.79 0.49 0.00 3.54 1.04 -1.21 -1.21 113.70 115.55 2bdi s SER 139 Ca -0.09 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2bdi s SER 139 Cb -0.05 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2bdi s SER 139 CO -0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2bdi n GLY 140 N 0.89 0.20 1.39 7.32 0.00 -0.31 -4.25 105.19 110.43 2bdi n GLY 140 Ca -0.19 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.37 1.46 -1.00 1.61 8.01 -1.26 -1.50 117.44 124.38 2bdi n TRP 141 Ca 0.00 -0.74 -0.29 0.00 -1.31 0.00 0.00 57.50 55.15 2bdi n TRP 141 Cb 0.00 -0.36 0.23 0.00 -2.01 0.00 0.00 31.31 29.17 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 -1.24 1.56 0.50 6.99 0.00 -1.21 -4.27 107.32 109.64 2bdi s GLY 142 Ca 0.47 -0.68 -0.21 0.00 0.00 0.00 0.00 44.72 44.30 2bdi s GLY 142 CO 0.15 0.11 0.77 1.04 0.00 0.00 0.00 173.10 175.17 2bdi n LEU 143 N -4.67 1.77 -5.01 0.66 4.32 0.99 -2.98 117.00 112.08 2bdi n LEU 143 Ca 0.09 0.88 -0.19 0.00 -0.02 0.00 0.00 56.01 56.77 2bdi n LEU 143 Cb 0.58 -1.26 0.03 0.00 -1.62 0.00 0.00 43.42 41.16 2bdi n LEU 143 CO 0.50 -2.30 0.27 -0.76 -1.22 0.00 0.00 177.39 173.88 2bdi s LEU 144 N -0.01 3.41 0.54 2.23 1.43 0.96 -1.66 118.68 125.58 2bdi s LEU 144 Ca 0.67 -0.44 0.29 0.00 -1.03 0.00 0.00 54.13 53.63 2bdi s LEU 144 Cb -0.50 -2.41 1.46 0.00 0.03 0.00 0.00 46.19 44.76 2bdi s LEU 144 CO 0.54 -1.05 1.92 0.00 0.23 0.00 0.00 176.35 178.00 2bdi h ALA 145 N 0.34 2.68 -0.15 4.21 0.00 -1.87 0.53 119.26 124.99 2bdi h ALA 145 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2bdi h ALA 145 Cb 1.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2bdi h ALA 145 CO 0.45 -0.93 0.00 0.27 0.00 0.00 0.00 179.25 179.04 2bdi n ASN 146 N -4.25 1.05 -0.63 0.00 0.23 -1.26 -4.87 115.26 105.52 2bdi n ASN 146 Ca 0.15 -1.78 -0.08 0.00 -0.53 0.00 0.00 54.58 52.34 2bdi n ASN 146 Cb 0.82 -0.10 -0.04 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 0.92 1.01 3.53 4.83 0.00 0.18 -5.00 105.19 110.66 2bdi n GLY 147 Ca 0.11 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.63 1.92 0.13 1.61 3.00 -1.25 -4.76 118.95 116.97 2bdi s ARG 150 Ca 0.00 -1.20 -0.28 0.00 -1.00 0.00 0.00 55.73 53.25 2bdi s ARG 150 Cb 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 34.95 32.74 2bdi s ARG 150 CO 0.00 0.47 0.87 -1.64 0.00 0.00 0.00 175.30 175.00 2bdi s MET 151 N -2.41 4.65 0.70 5.12 -1.94 -1.26 -0.03 119.30 124.14 2bdi s MET 151 Ca 0.21 1.31 -0.11 0.00 -1.71 0.00 0.00 55.69 55.38 2bdi s MET 151 Cb -0.10 -3.33 0.01 0.00 2.01 0.00 0.00 34.83 33.42 2bdi s MET 151 CO 0.12 0.36 1.08 -1.25 -0.01 0.00 0.00 175.02 175.32 2bdi s PRO 152 N -0.45 2.89 0.00 2.03 0.04 -1.26 -4.95 135.00 133.30 2bdi s PRO 152 Ca 0.42 0.62 0.15 0.00 0.04 0.00 0.00 61.00 62.23 2bdi s PRO 152 Cb -0.23 -2.01 -0.18 0.00 0.04 0.00 0.00 34.50 32.11 2bdi s PRO 152 CO 0.28 -1.04 0.71 0.25 0.04 0.00 0.00 177.00 177.23 2bdi n THR 153 N -3.04 1.34 -4.44 1.26 -2.24 -1.26 -4.95 114.28 100.94 2bdi n THR 153 Ca 0.07 -0.74 -0.22 0.00 -2.27 0.00 0.00 64.05 60.89 2bdi n THR 153 Cb 0.56 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.86 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 1.59 0.21 2.28 -7.23 -1.26 -3.85 120.40 109.35 2bdi s VAL 154 Ca -0.04 -2.10 -0.32 0.00 -1.81 0.00 0.00 61.98 57.71 2bdi s VAL 154 Cb 0.08 -2.54 -0.12 0.00 0.56 0.00 0.00 36.38 34.36 2bdi s VAL 154 CO 0.82 -0.23 1.71 -0.11 -0.31 0.00 0.00 175.10 176.98 2bdi n LEU 155 N -0.63 3.98 -4.90 1.32 7.94 -0.33 -4.85 117.00 119.53 2bdi n LEU 155 Ca -0.05 1.07 -0.32 0.00 -1.11 0.00 0.00 56.01 55.60 2bdi n LEU 155 Cb 0.64 -1.57 -0.05 0.00 0.53 0.00 0.00 43.42 42.98 2bdi n LEU 155 CO 0.41 0.16 -0.03 -1.10 -1.11 0.00 0.00 177.39 175.72 2bdi s GLN 156 N 1.05 3.57 -0.06 1.96 -1.52 -0.56 -0.74 119.66 123.36 2bdi s GLN 156 Ca 0.75 -0.17 0.04 0.00 -1.95 0.00 0.00 55.36 54.03 2bdi s GLN 156 Cb -0.51 -2.94 0.00 0.00 -0.22 0.00 0.00 33.01 29.34 2bdi s GLN 156 CO 0.33 0.53 -0.18 0.00 -0.25 0.00 0.00 175.29 175.73 2bdi s VAL 158 N 0.21 0.06 -0.08 0.00 0.11 -0.35 -1.51 120.40 118.83 2bdi s VAL 158 Ca -0.09 -0.45 -0.00 0.00 -2.93 0.00 0.00 61.98 58.50 2bdi s VAL 158 Cb -0.14 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 2bdi s VAL 158 CO 0.04 -0.25 -0.04 0.20 -3.33 0.00 0.00 175.10 171.72 2bdi s ASN 159 N -2.22 4.87 0.02 3.54 -0.87 -1.26 -1.39 114.94 117.62 2bdi s ASN 159 Ca -0.03 0.04 -0.03 0.00 -1.57 0.00 0.00 52.86 51.26 2bdi s ASN 159 Cb -0.00 -1.31 -0.01 0.00 -0.02 0.00 0.00 41.25 39.91 2bdi s ASN 159 CO -0.05 0.36 0.04 0.68 -2.57 0.00 0.00 177.10 175.56 2bdi s VAL 160 N -0.79 0.11 0.17 1.60 -7.23 -1.07 -4.87 120.40 108.32 2bdi s VAL 160 Ca 0.12 -0.88 0.05 0.00 -1.81 0.00 0.00 61.98 59.46 2bdi s VAL 160 Cb -0.11 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 2bdi s VAL 160 CO 0.02 -0.48 0.12 -0.44 -0.31 0.00 0.00 175.10 174.00 2bdi s SER 161 N -1.55 5.43 0.32 4.85 0.01 -1.26 -1.04 113.70 120.46 2bdi s SER 161 Ca -0.14 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 56.67 2bdi s SER 161 Cb -0.08 -1.39 -0.10 0.00 0.21 0.00 0.00 66.02 64.66 2bdi s SER 161 CO -0.01 0.07 1.39 -0.69 0.41 0.00 0.00 173.24 174.41 2bdi s VAL 162 N -1.76 2.52 0.11 3.43 1.01 0.77 0.78 120.40 127.25 2bdi s VAL 162 Ca 0.31 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2bdi s VAL 162 Cb -0.10 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2bdi s VAL 162 CO 0.23 0.11 0.26 -0.69 0.00 0.00 0.00 175.10 175.01 2bdi s VAL 163 N -0.84 5.34 0.66 2.92 1.01 -0.70 -0.65 120.40 128.13 2bdi s VAL 163 Ca 0.53 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 2bdi s VAL 163 Cb -0.42 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 2bdi s VAL 163 CO 0.53 0.03 1.17 -0.94 0.00 0.00 0.00 175.10 175.89 2bdi s SER 164 N -2.80 4.86 0.25 3.32 1.04 -1.26 -4.64 113.70 114.47 2bdi s SER 164 Ca 0.36 2.24 -0.04 0.00 0.48 0.00 0.00 55.95 58.98 2bdi s SER 164 Cb -0.12 -2.58 0.37 0.00 0.10 0.00 0.00 66.02 63.79 2bdi s SER 164 CO 0.28 -1.81 1.85 -0.08 0.98 0.00 0.00 173.24 174.46 2bdi h GLU 165 N 0.24 0.93 0.84 4.02 4.81 -1.98 0.90 114.58 124.35 2bdi h GLU 165 Ca -0.48 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 2bdi h GLU 165 Cb 1.28 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2bdi h GLU 165 CO 0.53 0.62 -0.43 1.49 -0.73 0.00 0.00 179.01 180.49 2bdi h GLU 166 N 0.96 -1.12 -0.67 1.92 4.81 -1.99 0.22 114.58 118.72 2bdi h GLU 166 Ca 0.39 0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.81 2bdi h GLU 166 Cb 0.23 0.25 -0.08 0.00 0.63 0.00 0.00 28.75 29.79 2bdi h GLU 166 CO -0.19 -0.74 0.27 0.28 -0.73 0.00 0.00 179.01 177.89 2bdi h VAL 167 N -1.16 0.76 0.25 0.32 2.07 -1.77 -1.43 116.25 115.28 2bdi h VAL 167 Ca -0.11 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2bdi h VAL 167 Cb 0.90 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2bdi h VAL 167 CO 0.17 0.08 -0.51 0.00 0.02 0.00 0.00 177.57 177.33 2bdi h SER 169 N -0.83 0.08 0.10 0.00 4.64 -0.20 -2.18 113.55 115.16 2bdi h SER 169 Ca -0.02 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.08 2bdi h SER 169 Cb 0.79 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.88 2bdi h SER 169 CO -0.21 0.23 -0.88 0.11 -0.87 0.00 0.00 176.83 175.22 2bdi h LYS 170 N 0.09 0.42 0.00 4.77 1.57 -1.01 -0.23 116.57 122.17 2bdi h LYS 170 Ca 0.02 -0.59 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 2bdi h LYS 170 Cb 0.30 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 2bdi h LYS 170 CO 0.02 1.24 -0.03 -0.07 -0.57 0.00 0.00 179.45 180.04 2bdi h LEU 171 N -0.12 0.00 -2.36 2.94 3.38 -0.24 -3.06 115.31 115.85 2bdi h LEU 171 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 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 0.17 0.03 0.00 -1.22 0.09 0.00 0.00 178.44 177.51 2bdi n TYR 172 N -3.60 0.00 -1.65 1.13 4.01 -0.85 -5.01 117.16 111.19 2bdi n TYR 172 Ca -0.03 -0.35 -0.43 0.00 -0.16 0.00 0.00 57.90 56.94 2bdi n TYR 172 Cb 0.12 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.35 2.08 -1.33 7.72 -0.08 -0.10 -1.01 116.55 123.48 2bdi n ASP 173 Ca 0.00 1.17 0.11 0.00 -1.51 0.00 0.00 54.79 54.56 2bdi n ASP 173 Cb 0.24 -1.41 0.32 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 0.50 2.68 0.08 -0.67 -0.04 -1.26 -4.82 135.00 131.47 2bdi n PRO 174 Ca 0.07 -2.58 0.12 0.00 -0.04 0.00 0.00 63.50 61.07 2bdi n PRO 174 Cb 0.36 -1.56 0.46 0.00 -0.04 0.00 0.00 33.50 32.71 2bdi n PRO 174 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2bdi n LEU 175 N 1.59 0.49 -4.75 1.53 4.77 -0.18 -4.89 117.00 115.56 2bdi n LEU 175 Ca 0.24 0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 56.39 2bdi n LEU 175 Cb 0.61 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2bdi n LEU 175 CO 0.16 -0.29 0.86 -0.47 -1.33 0.00 0.00 177.39 176.33 2bdi s TYR 176 N -3.14 3.44 0.11 -1.77 6.14 -0.71 -4.88 117.35 116.54 2bdi s TYR 176 Ca 0.09 1.52 0.02 0.00 0.64 0.00 0.00 57.07 59.33 2bdi s TYR 176 Cb 0.12 -3.41 -0.04 0.00 0.42 0.00 0.00 41.96 39.05 2bdi s TYR 176 CO 0.46 -1.05 -0.05 -1.58 0.64 0.00 0.00 175.55 173.97 2bdi s HIS 177 N -0.58 0.95 -1.09 4.97 2.46 -1.26 -4.94 115.29 115.78 2bdi s HIS 177 Ca 0.49 -0.94 0.04 0.00 0.47 0.00 0.00 55.06 55.13 2bdi s HIS 177 Cb -0.33 -0.54 0.19 0.00 -0.13 0.00 0.00 32.58 31.76 2bdi s HIS 177 CO 0.40 -0.17 1.10 -2.30 -2.47 0.00 0.00 174.74 171.30 2bdi n PRO 178 N -0.08 0.01 -0.68 2.88 -0.02 -1.26 -1.29 135.00 134.57 2bdi n PRO 178 Ca -0.11 0.39 -0.02 0.00 -2.02 0.00 0.00 63.50 61.74 2bdi n PRO 178 Cb 0.61 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.82 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 -1.45 4.01 -3.98 2.55 3.41 -1.26 -4.78 113.62 112.11 2bdi n SER 179 Ca 0.01 -2.77 -0.10 0.00 -0.26 0.00 0.00 58.87 55.76 2bdi n SER 179 Cb 0.05 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.27 2bdi n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bdi s MET 180 N -2.21 1.19 -0.00 4.33 0.23 -0.41 -1.59 119.30 120.84 2bdi s MET 180 Ca 0.37 -1.21 -0.23 0.00 -1.03 0.00 0.00 55.69 53.59 2bdi s MET 180 Cb 0.30 0.38 0.05 0.00 -1.53 0.00 0.00 34.83 34.02 2bdi s MET 180 CO 0.10 -0.44 0.51 -0.59 -2.03 0.00 0.00 175.02 172.58 2bdi s PHE 181 N -3.98 -0.43 0.28 3.16 -0.12 -0.46 -4.69 117.98 111.73 2bdi s PHE 181 Ca 0.19 0.63 -0.03 0.00 -0.05 0.00 0.00 56.93 57.67 2bdi s PHE 181 Cb 0.03 0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 2bdi s PHE 181 CO 0.01 -0.56 0.52 0.00 -0.05 0.00 0.00 175.22 175.14 2bdi s ALA 183 N -2.07 -1.27 0.00 0.00 0.00 -0.76 -1.73 121.76 115.93 2bdi s ALA 183 Ca 0.42 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2bdi s ALA 183 Cb -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2bdi s ALA 183 CO 0.31 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2bdi n GLY 184 N 2.66 0.18 2.02 0.00 0.00 0.23 -2.69 105.19 107.60 2bdi n GLY 184 Ca -0.14 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 0.61 3.87 -0.02 0.00 -1.26 -4.50 105.19 103.89 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 -1.99 1.73 0.42 -0.02 0.00 -1.26 -0.11 107.32 106.08 2bdi s GLY 186 Ca 0.00 -1.09 0.21 0.00 0.00 0.00 0.00 44.72 43.83 2bdi s GLY 186 CO 0.00 -0.33 1.83 -1.61 0.00 0.00 0.00 173.10 172.99 2bdi h GLN 186 N -1.75 0.00 0.00 2.90 5.75 -1.95 -2.51 115.11 117.55 2bdi h GLN 186 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2bdi h GLN 186 Cb 1.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.80 2bdi h GLN 186 CO 0.40 0.29 0.00 -0.40 -2.65 0.00 0.00 178.83 176.48 2bdi n ASP 186 N -3.58 0.00 -3.80 -0.69 3.85 -1.26 -4.84 116.55 106.23 2bdi n ASP 186 Ca -0.01 -0.34 -0.29 0.00 -0.71 0.00 0.00 54.79 53.45 2bdi n ASP 186 Cb 0.43 -0.07 0.03 0.00 -1.35 0.00 0.00 41.12 40.16 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 -5.51 -3.50 0.11 6.02 -0.94 -4.96 117.38 107.53 2bdi n GLN 187 Ca 0.10 0.62 -0.37 0.00 -0.01 0.00 0.00 57.00 57.35 2bdi n GLN 187 Cb 0.07 -5.51 -0.07 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 -6.51 4.24 0.10 -1.09 1.02 -1.26 -4.43 119.74 111.81 2bdi s LYS 188 Ca 0.62 0.12 -0.26 0.00 0.02 0.00 0.00 55.97 56.48 2bdi s LYS 188 Cb -0.31 -3.45 0.08 0.00 -0.52 0.00 0.00 37.83 33.63 2bdi s LYS 188 CO 0.77 0.17 1.08 0.34 -0.92 0.00 0.00 175.35 176.78 2bdi s ASP 189 N 0.63 -0.11 0.87 2.83 2.15 -0.89 -4.18 116.67 117.98 2bdi s ASP 189 Ca 0.17 -0.36 -0.09 0.00 0.43 0.00 0.00 52.55 52.70 2bdi s ASP 189 Cb -0.13 0.39 0.18 0.00 -0.30 0.00 0.00 42.92 43.05 2bdi s ASP 189 CO 0.05 -0.72 1.14 -1.20 -0.17 0.00 0.00 175.17 174.26 2bdi n SER 190 N -0.60 0.67 -3.06 -0.34 7.64 -1.26 0.71 113.62 117.38 2bdi n SER 190 Ca -0.06 -1.77 -0.08 0.00 1.01 0.00 0.00 58.87 57.97 2bdi n SER 190 Cb 0.61 -0.82 0.02 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.28 1.26 0.00 0.00 4.13 -1.26 -0.74 115.26 117.37 2bdi n ASN 192 Ca -0.08 1.13 0.00 0.00 1.68 0.00 0.00 54.58 57.31 2bdi n ASN 192 Cb 0.60 -1.10 0.00 0.00 -1.54 0.00 0.00 39.78 37.74 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 2.52 0.25 0.77 7.41 0.00 -1.26 -0.01 105.19 114.87 2bdi n GLY 193 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 2.63 -4.64 1.61 8.00 0.08 -3.35 116.55 120.89 2bdi n ASP 194 Ca 0.00 -1.79 -0.44 0.00 0.71 0.00 0.00 54.79 53.27 2bdi n ASP 194 Cb 0.00 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 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 1.06 1.95 0.00 -2.24 7.64 -1.26 -0.28 113.62 120.48 2bdi n SER 195 Ca 0.12 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.18 2bdi n SER 195 Cb 0.47 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 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 1.11 1.92 3.68 0.23 0.00 0.18 -1.69 105.19 110.63 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 1.64 0.34 -0.02 0.00 0.61 -3.62 107.32 104.27 2bdi s GLY 197 Ca 0.00 0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.71 2bdi s GLY 197 CO 0.00 0.66 0.82 2.56 0.00 0.00 0.00 173.10 177.14 2bdi s PRO 198 N -4.77 4.18 -0.26 2.90 0.04 -1.26 -0.36 135.00 135.46 2bdi s PRO 198 Ca 0.65 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 62.60 2bdi s PRO 198 Cb -0.20 -2.47 0.08 0.00 0.04 0.00 0.00 34.50 31.95 2bdi s PRO 198 CO 0.58 0.15 0.02 -1.17 0.04 0.00 0.00 177.00 176.62 2bdi s LEU 199 N -2.78 2.45 -0.04 -3.56 2.96 0.01 -3.36 118.68 114.36 2bdi s LEU 199 Ca 0.54 -1.35 -0.15 0.00 -0.22 0.00 0.00 54.13 52.95 2bdi s LEU 199 Cb -0.12 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 2bdi s LEU 199 CO 0.17 -0.32 0.39 -0.63 -1.32 0.00 0.00 176.35 174.64 2bdi s ILE 200 N 1.49 5.11 -0.25 6.68 -1.09 0.59 0.15 121.20 133.89 2bdi s ILE 200 Ca 0.02 0.79 0.01 0.00 -2.23 0.00 0.00 60.65 59.23 2bdi s ILE 200 Cb -0.18 -3.70 0.07 0.00 -1.58 0.00 0.00 42.46 37.07 2bdi s ILE 200 CO -0.12 0.52 -0.01 0.00 -1.23 0.00 0.00 174.94 174.10 2bdi n ASN 202 N 4.69 -1.73 0.00 0.00 5.03 -1.26 -1.53 115.26 120.46 2bdi n ASN 202 Ca -0.09 -0.78 0.00 0.00 0.87 0.00 0.00 54.58 54.59 2bdi n ASN 202 Cb 0.44 -4.24 0.00 0.00 -1.02 0.00 0.00 39.78 34.96 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 -1.52 0.25 3.62 7.41 0.00 -1.26 -5.00 105.19 108.69 2bdi n GLY 203 Ca -0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.59 2.74 -0.53 1.61 1.51 -0.58 -4.73 117.35 115.77 2bdi s TYR 208 Ca 0.00 -0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.59 2bdi s TYR 208 Cb 0.00 -1.32 0.03 0.00 -0.11 0.00 0.00 41.96 40.56 2bdi s TYR 208 CO 0.00 0.53 1.18 -1.17 -1.11 0.00 0.00 175.55 174.97 2bdi s LEU 209 N -2.97 3.54 -0.17 -1.29 2.96 0.37 0.00 118.68 121.13 2bdi s LEU 209 Ca 0.27 0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 54.45 2bdi s LEU 209 Cb -0.09 -3.37 -0.23 0.00 0.50 0.00 0.00 46.19 43.01 2bdi s LEU 209 CO 0.17 -1.38 0.17 1.67 -1.32 0.00 0.00 176.35 175.67 2bdi n GLN 210 N 8.15 0.72 -3.33 1.98 -0.06 0.12 -0.42 117.38 124.54 2bdi n GLN 210 Ca 0.11 0.22 -0.08 0.00 -2.00 0.00 0.00 57.00 55.24 2bdi n GLN 210 Cb 0.49 -1.65 0.01 0.00 -4.06 0.00 0.00 30.24 25.04 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 2.07 1.40 3.24 1.69 0.00 -0.80 -3.01 105.19 109.78 2bdi n GLY 211 Ca -0.36 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.19 -0.81 118.68 121.09 2bdi s LEU 212 Ca 0.15 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 2bdi s LEU 212 Cb -0.03 -1.06 -0.07 0.00 0.03 0.00 0.00 46.19 45.06 2bdi s LEU 212 CO 0.11 0.22 2.11 -0.69 0.23 0.00 0.00 176.35 178.34 2bdi s VAL 213 N -0.63 3.01 0.00 -1.59 1.01 0.51 -0.53 120.40 122.18 2bdi s VAL 213 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2bdi s VAL 213 Cb -0.08 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2bdi s VAL 213 CO 0.00 -0.00 0.00 -0.24 0.00 0.00 0.00 175.10 174.86 2bdi n SER 214 N 9.95 0.00 -2.91 3.32 2.88 -1.02 0.52 113.62 126.36 2bdi n SER 214 Ca 0.26 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.69 2bdi n SER 214 Cb 0.43 -0.20 0.01 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.55 0.36 0.00 0.66 -0.12 -1.11 -4.88 117.98 112.34 2bdi s PHE 215 Ca 0.00 -0.95 0.00 0.00 -0.05 0.00 0.00 56.93 55.93 2bdi s PHE 215 Cb 0.00 0.65 0.00 0.00 -0.63 0.00 0.00 43.02 43.04 2bdi s PHE 215 CO 0.00 -1.51 0.00 0.41 -0.05 0.00 0.00 175.22 174.07 2bdi n GLY 216 N -0.55 0.72 3.71 1.99 0.00 -1.26 0.34 105.19 110.14 2bdi n GLY 216 Ca -0.07 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 1.54 0.10 1.61 1.02 -1.26 -5.00 119.74 115.74 2bdi s LYS 217 Ca 0.00 1.37 0.08 0.00 0.02 0.00 0.00 55.97 57.43 2bdi s LYS 217 Cb 0.00 -1.80 -0.03 0.00 -0.52 0.00 0.00 37.83 35.48 2bdi s LYS 217 CO 0.00 -2.21 -0.20 0.00 -0.92 0.00 0.00 175.35 172.02 2bdi s ALA 218 N -2.76 1.72 1.05 5.17 0.00 -1.26 -3.89 121.76 121.78 2bdi s ALA 218 Ca 0.64 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 2bdi s ALA 218 Cb -0.20 -0.23 0.22 0.00 0.00 0.00 0.00 23.12 22.91 2bdi s ALA 218 CO 0.57 0.34 1.07 -1.25 0.00 0.00 0.00 175.76 176.49 2bdi s PRO 219 N -1.85 0.02 1.11 0.00 0.04 -1.26 -5.11 135.00 127.95 2bdi s PRO 219 Ca 0.05 0.68 -0.17 0.00 0.04 0.00 0.00 61.00 61.60 2bdi s PRO 219 Cb -0.10 -1.68 0.25 0.00 0.04 0.00 0.00 34.50 33.01 2bdi s PRO 219 CO 0.04 -3.05 1.15 0.00 0.04 0.00 0.00 177.00 175.18 2bdi n GLY 220 N -1.55 -0.35 3.79 0.00 0.00 -1.26 -4.96 105.19 100.86 2bdi n GLY 220 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.93 4.48 0.25 1.61 -0.21 -1.26 -4.61 119.66 114.99 2bdi s GLN 221 Ca 0.00 1.06 -0.30 0.00 0.02 0.00 0.00 55.36 56.14 2bdi s GLN 221 Cb 0.00 -3.23 -0.10 0.00 1.00 0.00 0.00 33.01 30.67 2bdi s GLN 221 CO 0.00 0.57 1.45 0.08 -2.12 0.00 0.00 175.29 175.27 2bdi s VAL 222 N -1.16 2.63 0.00 1.09 1.01 -1.26 -1.81 120.40 120.89 2bdi s VAL 222 Ca 0.35 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.85 2bdi s VAL 222 Cb -0.22 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2bdi s VAL 222 CO 0.25 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2bdi n GLY 223 N 2.22 0.70 2.76 4.51 0.00 0.84 -4.95 105.19 111.28 2bdi n GLY 223 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.83 1.57 0.87 1.61 1.01 -0.75 -5.02 120.40 116.85 2bdi s VAL 224 Ca 0.00 -2.55 -0.11 0.00 0.00 0.00 0.00 61.98 59.32 2bdi s VAL 224 Cb 0.00 -2.11 0.11 0.00 0.00 0.00 0.00 36.38 34.38 2bdi s VAL 224 CO 0.00 -0.85 1.09 -2.16 0.00 0.00 0.00 175.10 173.19 2bdi s PRO 225 N 0.40 1.50 0.42 2.72 0.04 -1.26 -4.30 135.00 134.52 2bdi s PRO 225 Ca 0.16 0.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.03 2bdi s PRO 225 Cb -0.24 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2bdi s PRO 225 CO -0.02 -2.08 0.67 0.20 0.04 0.00 0.00 177.00 175.80 2bdi s GLY 226 N -3.47 1.42 -0.06 0.56 0.00 -1.09 -4.63 107.32 100.04 2bdi s GLY 226 Ca 0.63 -0.72 -0.03 0.00 0.00 0.00 0.00 44.72 44.60 2bdi s GLY 226 CO 0.56 -0.60 0.08 0.14 0.00 0.00 0.00 173.10 173.28 2bdi s VAL 227 N -2.54 4.87 0.05 1.40 1.01 0.15 -1.82 120.40 123.53 2bdi s VAL 227 Ca 0.44 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.27 2bdi s VAL 227 Cb -0.10 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 2bdi s VAL 227 CO 0.40 0.50 -0.09 -0.31 0.00 0.00 0.00 175.10 175.61 2bdi s TYR 228 N -1.07 0.79 0.13 5.22 1.51 0.18 -2.43 117.35 121.68 2bdi s TYR 228 Ca 0.18 -0.54 -0.31 0.00 -1.01 0.00 0.00 57.07 55.40 2bdi s TYR 228 Cb -0.12 -0.46 -0.07 0.00 -0.11 0.00 0.00 41.96 41.19 2bdi s TYR 228 CO 0.08 -0.06 1.29 0.99 -1.11 0.00 0.00 175.55 176.74 2bdi s THR 229 N -1.61 3.52 -1.26 -0.71 2.01 0.31 -1.36 115.64 116.54 2bdi s THR 229 Ca -0.06 1.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.93 2bdi s THR 229 Cb -0.08 -3.73 0.13 0.00 0.01 0.00 0.00 72.50 68.82 2bdi s THR 229 CO 0.00 0.12 1.61 -3.20 -0.69 0.00 0.00 174.62 172.46 2bdi n ASN 230 N 3.47 5.05 0.08 3.53 5.15 -0.62 -3.19 115.26 128.74 2bdi n ASN 230 Ca 0.09 -2.96 0.20 0.00 -0.60 0.00 0.00 54.58 51.31 2bdi n ASN 230 Cb 0.44 -1.64 0.75 0.00 -0.53 0.00 0.00 39.78 38.80 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 10.71 0.00 -0.97 1.20 3.38 -1.86 0.34 115.31 128.12 2bdi h LEU 231 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2bdi h LEU 231 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2bdi h LEU 231 CO 1.38 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.91 2bdi n LYS 233 N -2.15 0.12 -0.35 0.00 4.76 0.12 -4.00 118.16 116.67 2bdi n LYS 233 Ca 0.00 -0.08 0.08 0.00 -2.87 0.00 0.00 58.31 55.45 2bdi n LYS 233 Cb 0.11 -1.50 0.17 0.00 -1.84 0.00 0.00 35.03 31.98 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 -1.37 0.00 0.35 2.13 3.72 0.20 -4.80 117.46 117.68 2bdi n PHE 234 Ca 0.06 -1.24 -0.18 0.00 -0.05 0.00 0.00 57.45 56.04 2bdi n PHE 234 Cb 0.34 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.57 0.17 -0.67 4.37 1.35 -1.69 0.23 112.91 117.24 2bdi h THR 235 Ca -0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 2bdi h THR 235 Cb 1.01 0.17 -0.10 0.00 -1.73 0.00 0.00 68.15 67.50 2bdi h THR 235 CO 0.00 0.00 0.14 -0.08 -0.25 0.00 0.00 175.52 175.34 2bdi h GLU 236 N -0.98 0.25 -0.05 4.72 4.81 -1.91 0.16 114.58 121.58 2bdi h GLU 236 Ca -0.08 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2bdi h GLU 236 Cb 0.80 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 2bdi h GLU 236 CO 0.06 0.17 0.02 2.35 -0.73 0.00 0.00 179.01 180.88 2bdi h TRP 237 N 0.26 0.07 -0.85 0.92 7.01 -1.84 0.02 115.95 121.54 2bdi h TRP 237 Ca 0.37 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.51 2bdi h TRP 237 Cb 0.59 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.56 2bdi h TRP 237 CO -0.26 0.19 0.55 0.82 -2.79 0.00 0.00 178.44 176.95 2bdi h ILE 238 N -0.07 0.82 0.32 2.65 2.04 0.58 -2.40 117.51 121.45 2bdi h ILE 238 Ca 0.02 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2bdi h ILE 238 Cb 0.15 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2bdi h ILE 238 CO -0.00 0.11 -0.15 -0.08 0.00 0.00 0.00 178.15 178.03 2bdi h GLU 239 N 0.60 -0.41 -0.43 2.37 4.57 -0.18 -1.59 114.58 119.51 2bdi h GLU 239 Ca 0.42 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.76 2bdi h GLU 239 Cb 0.77 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 2bdi h GLU 239 CO -0.18 -0.27 0.65 -0.22 -1.18 0.00 0.00 179.01 177.81 2bdi h LYS 240 N -1.00 0.00 0.00 1.92 3.64 -0.90 -0.94 116.57 119.29 2bdi h LYS 240 Ca -0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2bdi h LYS 240 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2bdi h LYS 240 CO 0.07 0.00 -0.44 1.15 -2.27 0.00 0.00 179.45 177.96 2bdi h THR 241 N 0.00 0.29 -0.67 1.00 2.02 -1.41 -3.14 112.91 111.00 2bdi h THR 241 Ca 0.20 -1.29 0.09 0.00 0.77 0.00 0.00 66.41 66.19 2bdi h THR 241 Cb 1.50 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 68.46 2bdi h THR 241 CO -0.00 0.10 0.31 0.58 0.37 0.00 0.00 175.52 176.87 2bdi h VAL 242 N -1.00 0.82 0.00 3.16 2.07 -0.56 -3.35 116.25 117.39 2bdi h VAL 242 Ca -0.05 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2bdi h VAL 242 Cb 0.53 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2bdi h VAL 242 CO -0.03 0.10 0.00 1.67 0.02 0.00 0.00 177.57 179.32 2bdi n GLN 243 N -4.91 0.00 0.00 1.57 -0.06 -0.43 -5.10 117.38 108.46 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 0.27 -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