#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 4.85 -1.22 1.39 -1.09 0.17 -4.01 121.20 121.28 2bdi s ILE 17 Ca 0.00 -0.00 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 2bdi s ILE 17 Cb 0.00 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 2bdi s ILE 17 CO 0.00 0.39 1.04 0.59 -1.23 0.00 0.00 174.94 175.73 2bdi n ASN 18 N 4.15 -3.88 0.00 3.58 5.03 -1.26 -1.98 115.26 120.90 2bdi n ASN 18 Ca -0.16 -0.56 0.00 0.00 0.87 0.00 0.00 54.58 54.73 2bdi n ASN 18 Cb 0.52 -4.92 0.00 0.00 -1.02 0.00 0.00 39.78 34.36 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 -1.49 7.74 3.32 7.41 0.00 -1.26 -4.82 105.19 116.08 2bdi n GLY 19 Ca -0.15 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 2bdi n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bdi s GLU 20 N 1.04 1.14 0.03 1.61 2.02 -0.88 -4.94 118.70 118.72 2bdi s GLU 20 Ca 0.00 -1.23 -0.35 0.00 0.02 0.00 0.00 54.97 53.41 2bdi s GLU 20 Cb 0.00 0.36 -0.14 0.00 0.10 0.00 0.00 34.13 34.45 2bdi s GLU 20 CO 0.00 -0.41 1.67 -0.25 0.02 0.00 0.00 175.26 176.30 2bdi n ASP 21 N -0.21 3.02 -4.63 -0.19 9.92 -1.26 -0.61 116.55 122.59 2bdi n ASP 21 Ca -0.06 1.05 -0.29 0.00 -0.53 0.00 0.00 54.79 54.95 2bdi n ASP 21 Cb 0.63 -1.36 0.19 0.00 -0.64 0.00 0.00 41.12 39.94 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 -3.14 6.87 -0.42 0.00 0.15 -1.26 -4.90 113.70 111.00 2bdi s SER 23 Ca 0.66 1.56 -0.39 0.00 0.70 0.00 0.00 55.95 58.47 2bdi s SER 23 Cb -0.20 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.40 2bdi s SER 23 CO 0.59 -0.85 1.42 -2.65 1.20 0.00 0.00 173.24 172.96 2bdi n PRO 24 N 6.79 0.00 -1.54 5.44 -0.02 -1.26 0.14 135.00 144.55 2bdi n PRO 24 Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 2bdi n PRO 24 Cb 0.45 -1.27 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 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 3.81 -0.12 0.63 6.00 8.25 -1.26 -4.88 115.22 127.64 2bdi n HIS 25 Ca 0.29 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.87 2bdi n HIS 25 Cb -0.05 -2.31 0.46 0.00 1.12 0.00 0.00 29.99 29.21 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 0.00 0.42 -3.28 0.41 3.41 0.37 -3.91 113.62 111.04 2bdi n SER 26 Ca -0.12 0.57 -0.25 0.00 -0.26 0.00 0.00 58.87 58.80 2bdi n SER 26 Cb 0.44 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.92 1.71 0.00 4.33 1.13 -1.26 -4.96 117.38 116.40 2bdi n GLN 27 Ca 0.05 -3.99 0.00 0.00 -1.94 0.00 0.00 57.00 51.11 2bdi n GLN 27 Cb 0.30 -1.78 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 1.00 0.00 0.00 -1.09 -0.04 -1.25 -1.41 135.00 132.21 2bdi n PRO 28 Ca 0.26 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.25 2bdi n PRO 28 Cb 0.47 -1.52 0.24 0.00 -0.04 0.00 0.00 33.50 32.66 2bdi n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2bdi n TRP 29 N -1.40 0.00 -2.03 0.54 2.14 -1.04 -2.15 117.44 113.49 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 0.02 -0.17 -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 -2.81 4.24 -0.14 -2.67 2.00 -0.50 -0.78 119.66 119.01 2bdi s GLN 30 Ca 0.15 2.22 0.00 0.00 -2.00 0.00 0.00 55.36 55.73 2bdi s GLN 30 Cb 0.18 -3.43 -0.01 0.00 0.80 0.00 0.00 33.01 30.55 2bdi s GLN 30 CO 0.65 -0.62 -0.14 0.00 -0.50 0.00 0.00 175.29 174.68 2bdi s ALA 31 N 1.98 2.55 -0.10 1.58 0.00 0.08 -4.33 121.76 123.52 2bdi s ALA 31 Ca 0.69 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.62 2bdi s ALA 31 Cb -0.38 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2bdi s ALA 31 CO 0.30 0.14 0.18 0.00 0.00 0.00 0.00 175.76 176.38 2bdi s ALA 32 N 0.54 3.86 -0.29 0.00 0.00 -0.54 0.00 121.76 125.33 2bdi s ALA 32 Ca -0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 2bdi s ALA 32 Cb -0.16 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 20.98 2bdi s ALA 32 CO 0.04 0.60 -0.00 -0.51 0.00 0.00 0.00 175.76 175.89 2bdi s LEU 33 N -1.06 3.74 0.06 0.00 1.02 -1.24 -0.69 118.68 120.51 2bdi s LEU 33 Ca 0.16 -1.13 0.07 0.00 0.02 0.00 0.00 54.13 53.25 2bdi s LEU 33 Cb -0.13 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.33 2bdi s LEU 33 CO 0.06 -0.23 -0.14 0.68 0.02 0.00 0.00 176.35 176.74 2bdi s VAL 34 N 1.30 3.08 0.00 -1.59 -7.23 -1.13 -1.35 120.40 113.46 2bdi s VAL 34 Ca -0.03 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2bdi s VAL 34 Cb -0.19 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2bdi s VAL 34 CO -0.01 0.26 0.00 0.23 -0.31 0.00 0.00 175.10 175.27 2bdi n MET 35 N 1.26 3.72 -0.25 4.82 2.81 0.99 -3.78 117.12 126.70 2bdi n MET 35 Ca -0.15 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.69 2bdi n MET 35 Cb 0.52 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.00 2bdi n MET 35 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2bdi n GLU 36 N 0.00 -0.23 -0.51 0.03 4.71 -1.26 -3.56 120.64 119.83 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 -1.34 -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 -4.79 -0.01 -4.13 1.62 4.13 -1.26 -5.13 115.26 105.69 2bdi n ASN 37 Ca 0.03 -1.14 -0.09 0.00 1.68 0.00 0.00 54.58 55.06 2bdi n ASN 37 Cb 0.18 -0.02 -0.10 0.00 -1.54 0.00 0.00 39.78 38.30 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 0.72 0.07 3.52 2.12 -1.23 -5.13 118.70 118.77 2bdi s GLU 38 Ca 0.00 -1.28 -0.25 0.00 0.36 0.00 0.00 54.97 53.79 2bdi s GLU 38 Cb 0.00 0.06 -0.06 0.00 0.26 0.00 0.00 34.13 34.39 2bdi s GLU 38 CO -0.00 -0.09 0.78 -1.17 -0.54 0.00 0.00 175.26 174.24 2bdi s LEU 40 N -2.98 4.48 0.00 2.70 1.98 -1.26 -0.00 118.68 123.59 2bdi s LEU 40 Ca 0.10 1.51 0.00 0.00 -2.89 0.00 0.00 54.13 52.85 2bdi s LEU 40 Cb 0.07 -3.27 0.00 0.00 0.66 0.00 0.00 46.19 43.65 2bdi s LEU 40 CO -0.07 0.04 0.00 2.22 -1.89 0.00 0.00 176.35 176.65 2bdi n PHE 41 N 2.60 0.00 -1.50 5.38 -1.74 -0.46 -4.94 117.46 116.80 2bdi n PHE 41 Ca -0.03 0.00 0.00 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 1.87 -0.18 0.31 0.00 0.01 -0.63 -3.72 113.70 111.35 2bdi s SER 43 Ca 0.00 -0.76 -0.12 0.00 1.31 0.00 0.00 55.95 56.38 2bdi s SER 43 Cb 0.00 0.76 0.02 0.00 0.21 0.00 0.00 66.02 67.01 2bdi s SER 43 CO 0.00 -1.45 0.59 -0.83 0.41 0.00 0.00 173.24 171.96 2bdi s GLY 44 N -2.96 0.65 -0.08 3.44 0.00 0.10 -4.15 107.32 104.32 2bdi s GLY 44 Ca 0.12 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.93 2bdi s GLY 44 CO 0.08 -0.57 -0.12 0.14 0.00 0.00 0.00 173.10 172.64 2bdi s VAL 45 N -3.34 1.17 -0.56 1.40 1.01 0.41 -0.74 120.40 119.75 2bdi s VAL 45 Ca 0.21 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.45 2bdi s VAL 45 Cb -0.02 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2bdi s VAL 45 CO 0.12 0.37 1.84 -0.22 0.00 0.00 0.00 175.10 177.21 2bdi s LEU 46 N 0.84 3.34 0.00 3.92 2.96 0.04 0.26 118.68 130.04 2bdi s LEU 46 Ca -0.11 0.52 0.21 0.00 -0.22 0.00 0.00 54.13 54.53 2bdi s LEU 46 Cb -0.15 -2.72 0.36 0.00 0.50 0.00 0.00 46.19 44.17 2bdi s LEU 46 CO 0.02 -2.25 1.31 1.33 -1.32 0.00 0.00 176.35 175.44 2bdi n VAL 47 N 7.25 0.46 -3.57 1.68 0.24 -1.04 -1.67 118.33 121.68 2bdi n VAL 47 Ca 0.21 -0.73 -0.06 0.00 -2.04 0.00 0.00 64.34 61.72 2bdi n VAL 47 Cb 0.51 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 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 -1.42 -0.21 0.37 6.34 5.65 -1.21 -4.73 115.29 120.08 2bdi s HIS 48 Ca 0.34 0.20 0.10 0.00 0.25 0.00 0.00 55.06 55.94 2bdi s HIS 48 Cb 0.20 0.51 0.85 0.00 -1.18 0.00 0.00 32.58 32.96 2bdi s HIS 48 CO 0.28 -0.30 1.88 -1.35 -0.65 0.00 0.00 174.74 174.61 2bdi h PRO 49 N 2.09 0.64 -0.16 2.88 0.11 -1.92 -2.81 132.00 132.83 2bdi h PRO 49 Ca -0.14 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 2bdi h PRO 49 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2bdi h PRO 49 CO 0.26 0.42 -0.01 0.94 -0.21 0.00 0.00 178.00 179.40 2bdi n GLN 50 N -4.54 2.21 -3.81 1.05 7.27 -1.26 -1.64 117.38 116.66 2bdi n GLN 50 Ca 0.16 -2.77 -0.15 0.00 0.07 0.00 0.00 57.00 54.31 2bdi n GLN 50 Cb 0.46 -1.71 -0.16 0.00 2.41 0.00 0.00 30.24 31.24 2bdi n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2bdi s TRP 51 N -2.88 0.09 -0.20 3.69 0.52 -1.06 -1.17 118.94 117.94 2bdi s TRP 51 Ca 0.38 0.09 -0.02 0.00 0.02 0.00 0.00 56.10 56.57 2bdi s TRP 51 Cb 0.32 -0.26 -0.01 0.00 -1.15 0.00 0.00 33.47 32.37 2bdi s TRP 51 CO 0.06 -0.09 -0.08 0.08 0.02 0.00 0.00 176.95 176.93 2bdi s VAL 52 N 0.99 3.11 0.16 4.03 1.01 0.10 -2.48 120.40 127.32 2bdi s VAL 52 Ca -0.09 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 2bdi s VAL 52 Cb -0.12 -2.38 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 2bdi s VAL 52 CO -0.03 0.46 0.70 -0.22 0.00 0.00 0.00 175.10 176.01 2bdi s LEU 53 N 1.22 4.48 0.00 3.92 2.96 0.14 -0.11 118.68 131.28 2bdi s LEU 53 Ca 0.02 1.45 -0.13 0.00 -0.22 0.00 0.00 54.13 55.25 2bdi s LEU 53 Cb -0.14 -3.30 0.05 0.00 0.50 0.00 0.00 46.19 43.29 2bdi s LEU 53 CO -0.03 0.16 0.66 -0.24 -1.32 0.00 0.00 176.35 175.58 2bdi n SER 54 N 1.27 -1.65 -4.69 3.68 2.88 0.48 0.15 113.62 115.75 2bdi n SER 54 Ca -0.06 -2.08 -0.41 0.00 -1.33 0.00 0.00 58.87 55.00 2bdi n SER 54 Cb 0.50 2.73 -0.04 0.00 -0.75 0.00 0.00 64.21 66.66 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 -1.82 3.40 0.44 -1.46 0.00 -1.26 0.96 121.76 122.01 2bdi s ALA 55 Ca 0.14 0.18 0.25 0.00 0.00 0.00 0.00 51.96 52.53 2bdi s ALA 55 Cb -0.03 -3.21 1.27 0.00 0.00 0.00 0.00 23.12 21.15 2bdi s ALA 55 CO 0.08 -0.44 1.74 0.00 0.00 0.00 0.00 175.76 177.14 2bdi h ALA 56 N 7.08 2.55 0.00 0.00 0.00 -1.66 0.76 119.26 127.98 2bdi h ALA 56 Ca -0.34 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2bdi h ALA 56 Cb 1.16 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bdi h ALA 56 CO 0.81 -0.99 0.00 -2.39 0.00 0.00 0.00 179.25 176.67 2bdi n HIS 57 N -4.54 0.00 0.22 0.00 1.44 -1.26 -2.20 115.22 108.88 2bdi n HIS 57 Ca 0.28 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.07 2bdi n HIS 57 Cb 1.09 -0.03 0.13 0.00 0.12 0.00 0.00 29.99 31.30 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 1.78 -4.16 0.00 7.35 -0.94 -5.03 117.46 117.32 2bdi n PHE 59 Ca 0.12 0.61 -0.14 0.00 -0.76 0.00 0.00 57.45 57.28 2bdi n PHE 59 Cb 0.42 -2.33 -0.07 0.00 0.35 0.00 0.00 39.48 37.85 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 -1.79 1.57 0.07 -4.13 -1.52 -1.26 -5.05 119.66 107.54 2bdi s GLN 60 Ca 0.58 -1.69 0.12 0.00 -1.95 0.00 0.00 55.36 52.42 2bdi s GLN 60 Cb -0.61 0.36 -0.17 0.00 -0.22 0.00 0.00 33.01 32.37 2bdi s GLN 60 CO 0.61 -0.59 0.97 -0.91 -0.25 0.00 0.00 175.29 175.11 2bdi h ASN 61 N 2.32 0.00 -4.22 5.90 2.35 -1.95 -3.46 115.58 116.51 2bdi h ASN 61 Ca -0.30 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.34 2bdi h ASN 61 Cb 1.24 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.39 2bdi h ASN 61 CO 0.43 0.84 -0.22 -0.94 -1.65 0.00 0.00 177.43 175.88 2bdi s SER 62 N -6.23 -0.38 0.27 5.81 1.04 -1.26 -4.60 113.70 108.35 2bdi s SER 62 Ca -0.02 0.64 0.12 0.00 0.48 0.00 0.00 55.95 57.17 2bdi s SER 62 Cb 0.09 0.69 -0.05 0.00 0.10 0.00 0.00 66.02 66.85 2bdi s SER 62 CO 0.81 -0.25 -0.20 -0.31 0.98 0.00 0.00 173.24 174.27 2bdi s TYR 63 N -0.25 2.26 -0.57 5.02 1.51 0.50 -5.01 117.35 120.81 2bdi s TYR 63 Ca -0.04 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 2bdi s TYR 63 Cb -0.03 -0.99 0.15 0.00 -0.11 0.00 0.00 41.96 40.97 2bdi s TYR 63 CO 0.02 0.68 0.36 0.99 -1.11 0.00 0.00 175.55 176.49 2bdi s THR 64 N -2.46 2.30 0.09 -0.71 2.01 -1.25 -2.35 115.64 113.28 2bdi s THR 64 Ca 0.29 -3.51 -0.30 0.00 0.31 0.00 0.00 61.69 58.48 2bdi s THR 64 Cb -0.05 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2bdi s THR 64 CO 0.14 -0.94 1.00 -0.63 -0.69 0.00 0.00 174.62 173.50 2bdi s ILE 65 N -0.61 4.48 -0.25 1.82 1.01 -1.01 -2.86 121.20 123.78 2bdi s ILE 65 Ca 0.22 1.98 -0.05 0.00 0.00 0.00 0.00 60.65 62.79 2bdi s ILE 65 Cb -0.15 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 2bdi s ILE 65 CO -0.08 0.27 0.01 -0.83 0.00 0.00 0.00 174.94 174.31 2bdi s GLY 66 N 0.27 1.69 0.23 6.18 0.00 0.13 -1.63 107.32 114.19 2bdi s GLY 66 Ca 0.49 -1.24 0.06 0.00 0.00 0.00 0.00 44.72 44.03 2bdi s GLY 66 CO 0.30 0.51 0.21 1.08 0.00 0.00 0.00 173.10 175.21 2bdi s LEU 67 N 1.51 3.91 -1.11 0.66 1.43 -0.69 -1.47 118.68 122.92 2bdi s LEU 67 Ca 0.05 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2bdi s LEU 67 Cb -0.15 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2bdi s LEU 67 CO -0.00 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.17 2bdi n GLY 69 N -1.01 1.10 3.94 -3.19 0.00 -1.26 -1.84 105.19 102.93 2bdi n GLY 69 Ca -0.08 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 2bdi n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bdi s LEU 70 N -2.38 2.80 0.00 0.99 1.43 -1.26 -4.16 118.68 116.09 2bdi s LEU 70 Ca 0.00 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2bdi s LEU 70 Cb 0.00 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.44 2bdi s LEU 70 CO 0.00 -1.89 0.00 1.57 0.23 0.00 0.00 176.35 176.26 2bdi n HIS 71 N -3.11 -0.39 -4.25 0.29 -0.00 -1.26 -4.66 115.22 101.85 2bdi n HIS 71 Ca 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.57 2bdi n HIS 71 Cb 0.60 0.18 -0.08 0.00 -0.00 0.00 0.00 29.99 30.70 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 -2.72 4.60 0.56 0.26 1.04 -1.26 -1.39 113.70 114.78 2bdi s SER 72 Ca 0.00 -0.51 0.34 0.00 0.48 0.00 0.00 55.95 56.26 2bdi s SER 72 Cb 0.00 -0.90 1.56 0.00 0.10 0.00 0.00 66.02 66.78 2bdi s SER 72 CO 0.00 0.06 2.06 -0.07 0.98 0.00 0.00 173.24 176.28 2bdi h LEU 73 N 2.49 0.00 -7.80 2.42 3.38 -1.95 -3.38 115.31 110.47 2bdi h LEU 73 Ca -0.46 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 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2bdi h LEU 73 CO 0.58 0.04 0.86 -0.62 0.09 0.00 0.00 178.44 179.38 2bdi n GLU 74 N -3.19 0.98 -0.32 1.13 -0.58 -1.26 -4.80 120.64 112.59 2bdi n GLU 74 Ca -0.01 -2.06 0.18 0.00 -0.42 0.00 0.00 57.16 54.85 2bdi n GLU 74 Cb 0.26 -3.65 0.36 0.00 -0.57 0.00 0.00 31.44 27.85 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 10.21 1.48 -0.15 0.62 0.00 -1.95 -1.68 119.26 127.79 2bdi h ALA 74 Ca 0.17 0.25 -0.22 0.00 0.00 0.00 0.00 54.91 55.11 2bdi h ALA 74 Cb 0.92 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 2bdi h ALA 74 CO 1.28 -0.58 -0.08 -0.40 0.00 0.00 0.00 179.25 179.47 2bdi n ASP 75 N -5.27 5.62 0.00 0.00 5.75 -1.26 -2.17 116.55 119.23 2bdi n ASP 75 Ca 0.26 -2.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 2bdi n ASP 75 Cb 0.84 -1.29 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 1.76 0.00 -3.97 0.11 6.02 -0.63 -5.05 117.38 115.61 2bdi n GLN 76 Ca 0.34 -0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.03 2bdi n GLN 76 Cb 0.73 -0.15 -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 1.91 0.00 -1.09 0.41 -0.92 -5.02 118.70 113.99 2bdi s GLU 77 Ca 0.00 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 2bdi s GLU 77 Cb 0.00 -2.33 0.00 0.00 -1.78 0.00 0.00 34.13 30.02 2bdi s GLU 77 CO 0.00 -0.43 0.00 -2.30 -0.49 0.00 0.00 175.26 172.04 2bdi n PRO 78 N 4.72 0.00 0.00 0.39 -0.02 -1.26 -2.83 135.00 136.00 2bdi n PRO 78 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2bdi n PRO 78 Cb 0.47 -0.23 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 3.76 -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 -1.60 5.49 -0.15 1.61 1.04 -1.13 -4.74 113.70 114.22 2bdi s SER 80 Ca 0.00 2.55 -0.04 0.00 0.48 0.00 0.00 55.95 58.94 2bdi s SER 80 Cb 0.00 -2.62 0.06 0.00 0.10 0.00 0.00 66.02 63.56 2bdi s SER 80 CO 0.00 -1.40 0.09 -1.10 0.98 0.00 0.00 173.24 171.81 2bdi s GLN 81 N -2.94 0.04 -1.27 4.02 -0.21 -0.77 -4.99 119.66 113.54 2bdi s GLN 81 Ca 0.71 0.01 -0.14 0.00 0.02 0.00 0.00 55.36 55.96 2bdi s GLN 81 Cb -0.35 -1.58 0.13 0.00 1.00 0.00 0.00 33.01 32.21 2bdi s GLN 81 CO 0.41 -0.61 1.67 -1.33 -2.12 0.00 0.00 175.29 173.31 2bdi n MET 82 N 5.28 3.32 -1.47 2.91 2.81 -1.26 -1.70 117.12 127.01 2bdi n MET 82 Ca -0.06 -3.52 -0.30 0.00 -1.81 0.00 0.00 57.70 52.00 2bdi n MET 82 Cb 0.49 -3.16 0.22 0.00 -0.71 0.00 0.00 33.22 30.06 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 2.19 1.76 0.09 2.03 -7.23 -0.65 -4.88 120.40 113.71 2bdi s VAL 83 Ca 0.46 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.66 2bdi s VAL 83 Cb 0.03 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 2bdi s VAL 83 CO 0.01 0.00 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.10 2bdi s GLU 84 N -5.67 0.81 0.15 4.82 2.02 -1.26 -2.39 118.70 117.18 2bdi s GLU 84 Ca 0.73 -1.11 -0.22 0.00 0.02 0.00 0.00 54.97 54.40 2bdi s GLU 84 Cb -0.06 -0.51 0.06 0.00 0.10 0.00 0.00 34.13 33.73 2bdi s GLU 84 CO 0.55 0.08 0.57 0.00 0.02 0.00 0.00 175.26 176.47 2bdi s ALA 85 N -2.30 -1.48 0.00 5.21 0.00 -0.99 -0.98 121.76 121.22 2bdi s ALA 85 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2bdi s ALA 85 Cb -0.04 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.94 2bdi s ALA 85 CO -0.00 -0.75 0.00 -1.13 0.00 0.00 0.00 175.76 173.88 2bdi n SER 86 N -0.35 0.00 -4.57 0.00 3.41 -1.26 -0.37 113.62 110.47 2bdi n SER 86 Ca -0.17 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 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 2bdi n SER 86 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2bdi s LEU 87 N 0.00 4.09 0.02 1.04 0.20 -1.26 -4.70 118.68 118.08 2bdi s LEU 87 Ca 0.00 0.24 0.08 0.00 0.69 0.00 0.00 54.13 55.14 2bdi s LEU 87 Cb 0.00 -3.10 -0.02 0.00 -0.43 0.00 0.00 46.19 42.63 2bdi s LEU 87 CO 0.00 -0.88 -0.25 -0.94 -0.29 0.00 0.00 176.35 173.99 2bdi s SER 88 N 2.03 2.95 -0.26 3.68 1.04 -1.26 -0.56 113.70 121.31 2bdi s SER 88 Ca 0.34 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 56.25 2bdi s SER 88 Cb -0.12 -0.28 0.07 0.00 0.10 0.00 0.00 66.02 65.79 2bdi s SER 88 CO 0.21 0.25 -0.04 -0.69 0.98 0.00 0.00 173.24 173.96 2bdi s VAL 89 N -0.73 1.74 0.49 5.02 1.01 0.71 -4.99 120.40 123.65 2bdi s VAL 89 Ca 0.10 -1.52 -0.18 0.00 0.00 0.00 0.00 61.98 60.39 2bdi s VAL 89 Cb -0.10 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 2bdi s VAL 89 CO 0.01 -0.22 0.98 -0.13 0.00 0.00 0.00 175.10 175.74 2bdi s ARG 90 N 1.27 4.00 0.23 2.72 0.52 -1.26 -1.19 118.95 125.24 2bdi s ARG 90 Ca -0.02 1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.91 2bdi s ARG 90 Cb -0.19 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 33.04 2bdi s ARG 90 CO -0.08 -0.23 1.35 -1.58 0.02 0.00 0.00 175.30 174.79 2bdi s HIS 91 N -2.47 3.16 0.24 -0.53 5.65 -0.72 -4.90 115.29 115.72 2bdi s HIS 91 Ca 0.60 1.18 -0.07 0.00 0.25 0.00 0.00 55.06 57.02 2bdi s HIS 91 Cb -0.10 -3.68 0.39 0.00 -1.18 0.00 0.00 32.58 28.00 2bdi s HIS 91 CO 0.26 -2.14 1.35 -2.30 -0.65 0.00 0.00 174.74 171.26 2bdi n PRO 92 N 2.32 -0.09 -0.32 2.88 -0.02 -1.26 -0.39 135.00 138.12 2bdi n PRO 92 Ca 0.06 1.35 0.05 0.00 -2.02 0.00 0.00 63.50 62.93 2bdi n PRO 92 Cb 0.42 -2.01 0.19 0.00 -0.02 0.00 0.00 33.50 32.07 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 -5.40 2.43 -1.64 -0.52 -0.58 -1.26 -4.98 120.64 108.69 2bdi n GLU 93 Ca 0.14 -1.48 -0.39 0.00 -0.42 0.00 0.00 57.16 55.01 2bdi n GLU 93 Cb 0.43 -1.59 0.04 0.00 -0.57 0.00 0.00 31.44 29.74 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 0.46 1.17 -1.31 -0.32 9.36 0.48 -2.01 117.16 124.98 2bdi n TYR 94 Ca 0.13 0.46 -0.12 0.00 3.32 0.00 0.00 57.90 61.69 2bdi n TYR 94 Cb 0.52 -2.20 -0.05 0.00 -0.63 0.00 0.00 39.34 36.98 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 -0.44 -4.71 -3.63 2.98 2.85 0.20 -4.92 115.26 107.59 2bdi n ASN 95 Ca 0.12 0.31 -0.29 0.00 -0.11 0.00 0.00 54.58 54.60 2bdi n ASN 95 Cb 0.45 -3.82 -0.15 0.00 1.24 0.00 0.00 39.78 37.50 2bdi n ASN 95 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2bdi s ARG 96 N -2.96 0.46 1.02 1.20 1.81 -0.85 -2.82 118.95 116.81 2bdi s ARG 96 Ca 0.00 -0.83 -0.13 0.00 -1.72 0.00 0.00 55.73 53.06 2bdi s ARG 96 Cb 0.00 -1.58 0.20 0.00 -0.45 0.00 0.00 34.95 33.12 2bdi s ARG 96 CO 0.00 -1.01 1.09 -2.14 -0.68 0.00 0.00 175.30 172.56 2bdi s PRO 97 N 1.83 0.25 -0.10 3.54 0.02 -1.26 -4.87 135.00 134.41 2bdi s PRO 97 Ca 0.10 0.46 -0.39 0.00 0.02 0.00 0.00 61.00 61.19 2bdi s PRO 97 Cb -0.17 -1.72 -0.17 0.00 0.02 0.00 0.00 34.50 32.46 2bdi s PRO 97 CO -0.30 -2.84 1.45 -0.11 -0.33 0.00 0.00 177.00 174.87 2bdi n LEU 98 N -4.24 1.56 0.00 -5.54 7.94 -1.13 -0.10 117.00 115.49 2bdi n LEU 98 Ca 0.05 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 2bdi n LEU 98 Cb 0.57 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.43 2bdi n LEU 98 CO 0.57 -0.97 0.00 0.18 -1.11 0.00 0.00 177.39 176.06 2bdi n LEU 99 N 3.40 0.00 -4.79 -1.96 4.77 -1.26 -4.96 117.00 112.20 2bdi n LEU 99 Ca 0.22 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.92 2bdi n LEU 99 Cb 0.13 -0.04 0.15 0.00 -2.33 0.00 0.00 43.42 41.33 2bdi n LEU 99 CO 0.71 0.00 0.72 0.00 -1.33 0.00 0.00 177.39 177.49 2bdi s ALA 100 N -2.31 1.76 -1.56 -1.18 0.00 0.86 -4.11 121.76 115.22 2bdi s ALA 100 Ca 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 2bdi s ALA 100 Cb 0.00 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 20.19 2bdi s ALA 100 CO 0.00 -2.38 0.50 0.09 0.00 0.00 0.00 175.76 173.97 2bdi n ASN 101 N -3.82 -1.29 -2.42 0.00 4.13 -1.26 -0.63 115.26 109.97 2bdi n ASN 101 Ca 0.08 -1.06 -0.16 0.00 1.68 0.00 0.00 54.58 55.12 2bdi n ASN 101 Cb 0.59 -2.67 -0.11 0.00 -1.54 0.00 0.00 39.78 36.06 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 5.20 -4.29 6.41 2.03 -1.26 -4.23 116.55 117.57 2bdi n ASP 102 Ca -0.15 -2.36 -0.22 0.00 0.52 0.00 0.00 54.79 52.58 2bdi n ASP 102 Cb 0.61 -1.24 -0.12 0.00 -0.72 0.00 0.00 41.12 39.65 2bdi n ASP 102 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2bdi s LEU 103 N 0.04 2.38 -0.15 -2.67 2.34 -1.26 -2.76 118.68 116.59 2bdi s LEU 103 Ca 0.56 -0.78 -0.11 0.00 0.06 0.00 0.00 54.13 53.86 2bdi s LEU 103 Cb 0.23 -0.78 0.05 0.00 -0.56 0.00 0.00 46.19 45.13 2bdi s LEU 103 CO -0.01 -0.03 0.39 -0.32 -1.06 0.00 0.00 176.35 175.32 2bdi s MET 104 N -2.44 0.42 -0.19 1.48 1.75 0.27 -1.75 119.30 118.84 2bdi s MET 104 Ca 0.11 0.65 -0.12 0.00 -1.25 0.00 0.00 55.69 55.08 2bdi s MET 104 Cb -0.07 0.10 -0.05 0.00 2.84 0.00 0.00 34.83 37.65 2bdi s MET 104 CO 0.05 -0.11 0.23 -0.51 -0.65 0.00 0.00 175.02 174.03 2bdi s LEU 105 N 0.79 4.20 -0.22 4.11 1.43 -0.33 -0.38 118.68 128.26 2bdi s LEU 105 Ca -0.05 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 2bdi s LEU 105 Cb -0.06 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 2bdi s LEU 105 CO -0.06 0.10 0.02 -0.63 0.23 0.00 0.00 176.35 176.01 2bdi s ILE 106 N 0.65 4.00 -0.24 -0.59 1.01 0.84 -0.21 121.20 126.66 2bdi s ILE 106 Ca 0.12 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 2bdi s ILE 106 Cb -0.13 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 2bdi s ILE 106 CO 0.03 0.39 0.52 -0.75 0.00 0.00 0.00 174.94 175.12 2bdi s LYS 107 N 1.33 4.10 0.44 2.79 2.20 0.28 0.02 119.74 130.90 2bdi s LYS 107 Ca 0.04 0.35 -0.23 0.00 -0.36 0.00 0.00 55.97 55.77 2bdi s LYS 107 Cb -0.15 -3.63 -0.08 0.00 -1.51 0.00 0.00 37.83 32.47 2bdi s LYS 107 CO 0.01 -0.29 1.09 -0.51 -0.36 0.00 0.00 175.35 175.30 2bdi s LEU 108 N 2.11 4.05 0.07 5.43 1.43 -0.32 -4.01 118.68 127.44 2bdi s LEU 108 Ca 0.22 2.13 -0.37 0.00 -1.03 0.00 0.00 54.13 55.07 2bdi s LEU 108 Cb -0.16 -4.26 -0.20 0.00 0.03 0.00 0.00 46.19 41.60 2bdi s LEU 108 CO 0.09 -0.71 1.56 0.44 0.23 0.00 0.00 176.35 177.97 2bdi h ASP 109 N 2.18 -1.21 -3.43 2.29 3.45 -1.40 -3.40 116.42 114.90 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 1.23 0.34 -0.26 0.00 -0.56 0.00 0.00 39.33 40.08 2bdi h ASP 109 CO 0.61 -0.79 -0.70 -0.70 -1.57 0.00 0.00 179.24 176.10 2bdi s GLU 110 N -5.94 3.49 0.23 3.56 2.12 -1.26 -5.09 118.70 115.81 2bdi s GLU 110 Ca -0.19 -0.58 -0.31 0.00 0.36 0.00 0.00 54.97 54.25 2bdi s GLU 110 Cb 0.03 -3.04 -0.14 0.00 0.26 0.00 0.00 34.13 31.24 2bdi s GLU 110 CO 0.60 -0.09 1.18 0.45 -0.54 0.00 0.00 175.26 176.86 2bdi n SER 111 N 4.52 1.73 -4.95 -1.70 2.88 -1.26 -4.96 113.62 109.88 2bdi n SER 111 Ca -0.18 1.16 -0.23 0.00 -1.33 0.00 0.00 58.87 58.29 2bdi n SER 111 Cb 0.51 -1.30 0.01 0.00 -0.75 0.00 0.00 64.21 62.68 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 -0.44 4.16 -0.30 2.46 -7.23 -0.65 -4.96 120.40 113.43 2bdi s VAL 112 Ca 0.67 -0.53 -0.09 0.00 -1.81 0.00 0.00 61.98 60.22 2bdi s VAL 112 Cb -0.75 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 32.66 2bdi s VAL 112 CO 0.54 -0.35 0.14 -0.44 -0.31 0.00 0.00 175.10 174.68 2bdi s SER 113 N -4.19 5.48 -0.70 4.85 0.01 -1.26 -4.82 113.70 113.07 2bdi s SER 113 Ca 0.47 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.92 2bdi s SER 113 Cb -0.10 -1.98 -0.14 0.00 0.21 0.00 0.00 66.02 64.01 2bdi s SER 113 CO 0.37 -0.18 2.52 -0.62 0.41 0.00 0.00 173.24 175.74 2bdi n GLU 114 N 4.97 0.58 -0.19 12.44 1.02 -1.26 -4.91 120.64 133.29 2bdi n GLU 114 Ca -0.14 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2bdi n GLU 114 Cb 0.49 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 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 12.91 0.00 -0.08 1.62 3.41 -0.28 -4.93 113.62 126.27 2bdi n SER 115 Ca 0.50 -0.25 -0.14 0.00 -0.26 0.00 0.00 58.87 58.71 2bdi n SER 115 Cb 0.29 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.86 -0.51 4.04 -0.00 -1.95 -3.20 116.42 115.66 2bdi h ASP 116 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.03 56.51 2bdi h ASP 116 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 39.08 2bdi h ASP 116 CO 0.00 1.22 0.00 0.35 -0.00 0.00 0.00 179.24 180.81 2bdi n THR 117 N -4.13 0.82 -3.55 2.25 -2.24 -1.26 -4.80 114.28 101.38 2bdi n THR 117 Ca -0.05 -0.91 -0.29 0.00 -2.27 0.00 0.00 64.05 60.53 2bdi n THR 117 Cb 0.57 0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.12 0.27 0.13 2.28 1.01 -1.21 -4.07 121.20 118.49 2bdi s ILE 118 Ca 0.38 -1.39 0.07 0.00 0.00 0.00 0.00 60.65 59.71 2bdi s ILE 118 Cb 0.21 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 2bdi s ILE 118 CO 0.28 -0.84 -0.16 -0.60 0.00 0.00 0.00 174.94 173.61 2bdi s ARG 119 N 1.46 1.11 0.44 2.79 3.52 -0.92 -1.12 118.95 126.23 2bdi s ARG 119 Ca 0.14 -1.29 -0.03 0.00 -0.13 0.00 0.00 55.73 54.42 2bdi s ARG 119 Cb -0.20 -1.06 -0.03 0.00 -1.56 0.00 0.00 34.95 32.10 2bdi s ARG 119 CO -0.17 0.21 0.71 -1.54 -0.81 0.00 0.00 175.30 173.70 2bdi s SER 120 N -2.49 6.20 0.19 -2.12 1.04 -1.26 -2.50 113.70 112.75 2bdi s SER 120 Ca 0.11 0.72 0.09 0.00 0.48 0.00 0.00 55.95 57.34 2bdi s SER 120 Cb -0.05 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 2bdi s SER 120 CO 0.04 -0.53 -0.18 -0.51 0.98 0.00 0.00 173.24 173.05 2bdi s ILE 121 N -2.61 1.88 0.12 -1.02 2.07 -0.67 -4.91 121.20 116.05 2bdi s ILE 121 Ca 0.45 -2.04 0.02 0.00 -1.41 0.00 0.00 60.65 57.67 2bdi s ILE 121 Cb -0.10 -1.95 -0.04 0.00 0.13 0.00 0.00 42.46 40.51 2bdi s ILE 121 CO 0.42 -0.39 0.25 -0.94 -1.91 0.00 0.00 174.94 172.37 2bdi s SER 122 N -2.91 6.28 -0.06 4.50 1.04 -1.26 -4.46 113.70 116.83 2bdi s SER 122 Ca 0.19 0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.60 2bdi s SER 122 Cb -0.04 -1.89 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 2bdi s SER 122 CO 0.08 0.09 0.58 -0.63 0.98 0.00 0.00 173.24 174.34 2bdi s ILE 123 N -1.66 5.05 0.29 -1.02 1.01 -1.26 -0.60 121.20 123.01 2bdi s ILE 123 Ca 0.34 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.89 2bdi s ILE 123 Cb -0.12 -3.92 -0.12 0.00 0.01 0.00 0.00 42.46 38.31 2bdi s ILE 123 CO 0.28 0.34 1.46 0.00 0.00 0.00 0.00 174.94 177.02 2bdi n ALA 124 N 3.36 1.76 0.24 9.38 0.00 0.55 -4.80 120.51 131.00 2bdi n ALA 124 Ca -0.05 0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.88 2bdi n ALA 124 Cb 0.51 -2.35 -0.13 0.00 0.00 0.00 0.00 19.45 17.49 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 1.79 0.31 -4.96 0.00 3.41 -1.26 -4.21 113.62 108.70 2bdi n SER 125 Ca 0.09 -0.18 -0.23 0.00 -0.26 0.00 0.00 58.87 58.29 2bdi n SER 125 Cb 0.35 1.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.87 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 -3.38 3.15 0.58 4.33 0.74 -1.26 -4.88 119.66 118.94 2bdi s GLN 127 Ca -0.03 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 54.85 2bdi s GLN 127 Cb 0.14 -2.62 0.04 0.00 1.10 0.00 0.00 33.01 31.68 2bdi s GLN 127 CO 0.88 -0.14 0.82 0.00 -0.55 0.00 0.00 175.29 176.30 2bdi s PRO 129 N -4.85 3.49 -0.09 0.00 0.02 -1.26 -5.00 135.00 127.31 2bdi s PRO 129 Ca 0.58 2.33 0.02 0.00 0.02 0.00 0.00 61.00 63.95 2bdi s PRO 129 Cb -0.10 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.90 2bdi s PRO 129 CO 0.40 -0.94 -0.14 0.95 -0.33 0.00 0.00 177.00 176.93 2bdi s THR 130 N -1.25 2.99 0.37 0.99 -4.23 -1.26 -5.08 115.64 108.17 2bdi s THR 130 Ca 0.65 -0.71 -0.28 0.00 -1.18 0.00 0.00 61.69 60.17 2bdi s THR 130 Cb -0.42 -2.21 -0.11 0.00 1.34 0.00 0.00 72.50 71.09 2bdi s THR 130 CO 0.53 0.56 1.35 0.00 -0.54 0.00 0.00 174.62 176.51 2bdi n ALA 132 N 2.99 1.62 0.00 3.99 0.00 -1.26 -1.87 120.51 125.98 2bdi n ALA 132 Ca -0.18 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2bdi n ALA 132 Cb 0.52 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 0.68 2.79 3.72 0.00 0.00 0.28 -4.91 105.19 107.75 2bdi n GLY 133 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 3.29 -4.84 1.61 2.85 -0.78 -4.50 115.26 113.33 2bdi n ASN 134 Ca 0.00 1.18 -0.37 0.00 -0.11 0.00 0.00 54.58 55.28 2bdi n ASN 134 Cb 0.00 -1.53 -0.07 0.00 1.24 0.00 0.00 39.78 39.42 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 0.10 6.24 0.00 1.20 0.15 -1.26 -0.19 113.70 119.94 2bdi s SER 135 Ca 0.60 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2bdi s SER 135 Cb -0.55 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2bdi s SER 135 CO 0.56 0.38 0.00 0.00 1.20 0.00 0.00 173.24 175.38 2bdi s LEU 137 N 0.00 2.18 0.01 0.00 2.96 -0.47 -1.96 118.68 121.40 2bdi s LEU 137 Ca 0.00 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2bdi s LEU 137 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 46.19 46.66 2bdi s LEU 137 CO 0.00 -0.19 -0.03 0.54 -1.32 0.00 0.00 176.35 175.35 2bdi s VAL 138 N -1.07 0.15 0.04 1.68 0.11 -0.30 -0.01 120.40 121.00 2bdi s VAL 138 Ca -0.10 -0.61 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 2bdi s VAL 138 Cb -0.08 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 2bdi s VAL 138 CO -0.00 -0.29 -0.01 -0.94 -3.33 0.00 0.00 175.10 170.52 2bdi s SER 139 N -0.94 0.34 0.00 3.54 1.04 -1.21 -1.08 113.70 115.39 2bdi s SER 139 Ca -0.09 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2bdi s SER 139 Cb -0.06 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2bdi s SER 139 CO -0.00 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2bdi n GLY 140 N 0.85 0.31 1.46 7.32 0.00 -0.55 -4.22 105.19 110.36 2bdi n GLY 140 Ca -0.19 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 44.92 2bdi n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bdi n TRP 141 N -0.37 1.56 -1.03 1.61 8.01 -1.26 -1.51 117.44 124.45 2bdi n TRP 141 Ca 0.00 -0.76 -0.30 0.00 -1.31 0.00 0.00 57.50 55.13 2bdi n TRP 141 Cb 0.00 -0.40 0.23 0.00 -2.01 0.00 0.00 31.31 29.13 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 -1.22 1.56 0.51 6.99 0.00 -1.22 -4.30 107.32 109.63 2bdi s GLY 142 Ca 0.49 -0.79 -0.21 0.00 0.00 0.00 0.00 44.72 44.21 2bdi s GLY 142 CO 0.14 0.04 0.76 1.04 0.00 0.00 0.00 173.10 175.09 2bdi n LEU 143 N -4.72 1.79 -5.01 0.66 4.32 0.55 -3.11 117.00 111.48 2bdi n LEU 143 Ca 0.11 0.87 -0.18 0.00 -0.02 0.00 0.00 56.01 56.79 2bdi n LEU 143 Cb 0.59 -1.26 0.03 0.00 -1.62 0.00 0.00 43.42 41.16 2bdi n LEU 143 CO 0.48 -2.31 0.23 -0.76 -1.22 0.00 0.00 177.39 173.81 2bdi s LEU 144 N -0.03 3.47 0.55 2.23 1.43 0.97 -1.32 118.68 125.97 2bdi s LEU 144 Ca 0.68 -0.48 0.32 0.00 -1.03 0.00 0.00 54.13 53.62 2bdi s LEU 144 Cb -0.50 -2.42 1.48 0.00 0.03 0.00 0.00 46.19 44.78 2bdi s LEU 144 CO 0.54 -0.97 1.86 0.00 0.23 0.00 0.00 176.35 178.01 2bdi h ALA 145 N 0.43 2.77 -0.18 4.21 0.00 -1.87 0.59 119.26 125.22 2bdi h ALA 145 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2bdi h ALA 145 Cb 1.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2bdi h ALA 145 CO 0.45 -1.11 0.00 0.27 0.00 0.00 0.00 179.25 178.85 2bdi n ASN 146 N -4.12 1.27 -0.66 0.00 0.23 -1.26 -4.88 115.26 105.85 2bdi n ASN 146 Ca 0.18 -1.79 -0.09 0.00 -0.53 0.00 0.00 54.58 52.35 2bdi n ASN 146 Cb 0.97 -0.12 -0.04 0.00 -2.08 0.00 0.00 39.78 38.52 2bdi n ASN 146 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bdi n GLY 147 N 0.98 1.04 3.53 4.83 0.00 0.21 -5.00 105.19 110.77 2bdi n GLY 147 Ca 0.12 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.68 1.93 0.11 1.61 3.00 -1.25 -4.76 118.95 116.92 2bdi s ARG 150 Ca 0.00 -1.20 -0.27 0.00 -1.00 0.00 0.00 55.73 53.26 2bdi s ARG 150 Cb 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 34.95 32.73 2bdi s ARG 150 CO 0.00 0.46 0.83 -1.64 0.00 0.00 0.00 175.30 174.95 2bdi s MET 151 N -2.45 4.60 0.72 5.12 -1.94 -1.26 -0.02 119.30 124.07 2bdi s MET 151 Ca 0.21 1.22 -0.11 0.00 -1.71 0.00 0.00 55.69 55.30 2bdi s MET 151 Cb -0.10 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.44 2bdi s MET 151 CO 0.13 0.37 1.08 -1.25 -0.01 0.00 0.00 175.02 175.34 2bdi s PRO 152 N -0.47 2.73 0.01 2.03 0.04 -1.26 -4.95 135.00 133.14 2bdi s PRO 152 Ca 0.40 0.65 0.16 0.00 0.04 0.00 0.00 61.00 62.25 2bdi s PRO 152 Cb -0.22 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.15 2bdi s PRO 152 CO 0.26 -1.17 0.71 0.25 0.04 0.00 0.00 177.00 177.09 2bdi n THR 153 N -3.13 1.24 -4.46 1.26 -2.24 -1.26 -4.95 114.28 100.73 2bdi n THR 153 Ca 0.07 -0.72 -0.22 0.00 -2.27 0.00 0.00 64.05 60.91 2bdi n THR 153 Cb 0.56 -0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.85 1.53 0.19 2.28 -7.23 -1.26 -3.84 120.40 109.23 2bdi s VAL 154 Ca -0.04 -2.06 -0.32 0.00 -1.81 0.00 0.00 61.98 57.75 2bdi s VAL 154 Cb 0.09 -2.66 -0.11 0.00 0.56 0.00 0.00 36.38 34.26 2bdi s VAL 154 CO 0.82 -0.15 1.65 -0.22 -0.31 0.00 0.00 175.10 176.90 2bdi s LEU 155 N -3.50 4.37 0.07 1.32 2.96 -0.49 -4.85 118.68 118.56 2bdi s LEU 155 Ca 0.33 2.77 -0.06 0.00 -0.22 0.00 0.00 54.13 56.94 2bdi s LEU 155 Cb 0.06 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 2bdi s LEU 155 CO 0.14 -0.91 0.32 -1.10 -1.32 0.00 0.00 176.35 173.49 2bdi s GLN 156 N 1.09 3.62 -0.09 1.98 -1.52 -0.57 -1.11 119.66 123.06 2bdi s GLN 156 Ca 0.72 -0.05 0.04 0.00 -1.95 0.00 0.00 55.36 54.12 2bdi s GLN 156 Cb -0.47 -2.99 0.00 0.00 -0.22 0.00 0.00 33.01 29.33 2bdi s GLN 156 CO 0.32 0.57 -0.22 0.00 -0.25 0.00 0.00 175.29 175.71 2bdi s VAL 158 N 0.32 0.08 -0.07 0.00 0.11 -0.24 -2.08 120.40 118.52 2bdi s VAL 158 Ca -0.16 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 2bdi s VAL 158 Cb -0.17 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2bdi s VAL 158 CO 0.08 -0.37 -0.06 0.20 -3.33 0.00 0.00 175.10 171.62 2bdi s ASN 159 N -2.42 4.72 0.01 3.54 -0.87 -1.26 -1.15 114.94 117.51 2bdi s ASN 159 Ca -0.01 -0.00 -0.05 0.00 -1.57 0.00 0.00 52.86 51.23 2bdi s ASN 159 Cb 0.01 -1.21 -0.01 0.00 -0.02 0.00 0.00 41.25 40.03 2bdi s ASN 159 CO -0.07 0.36 0.09 0.68 -2.57 0.00 0.00 177.10 175.59 2bdi s VAL 160 N -0.81 0.10 0.12 1.60 -7.23 -0.83 -4.87 120.40 108.49 2bdi s VAL 160 Ca 0.12 -0.81 0.04 0.00 -1.81 0.00 0.00 61.98 59.52 2bdi s VAL 160 Cb -0.11 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 2bdi s VAL 160 CO 0.02 -0.45 0.11 -0.44 -0.31 0.00 0.00 175.10 174.03 2bdi s SER 161 N -1.53 5.52 0.30 4.85 0.01 -1.26 -1.19 113.70 120.40 2bdi s SER 161 Ca -0.14 -0.07 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 2bdi s SER 161 Cb -0.07 -1.46 -0.10 0.00 0.21 0.00 0.00 66.02 64.60 2bdi s SER 161 CO 0.00 0.12 1.42 -0.69 0.41 0.00 0.00 173.24 174.50 2bdi s VAL 162 N -1.58 2.51 0.06 3.43 1.01 0.73 0.40 120.40 126.95 2bdi s VAL 162 Ca 0.30 0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 2bdi s VAL 162 Cb -0.11 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2bdi s VAL 162 CO 0.23 0.09 0.20 -0.69 0.00 0.00 0.00 175.10 174.93 2bdi s VAL 163 N -0.55 5.37 0.68 2.92 1.01 -1.01 -0.56 120.40 128.25 2bdi s VAL 163 Ca 0.55 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 2bdi s VAL 163 Cb -0.43 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2bdi s VAL 163 CO 0.50 0.15 1.16 -0.94 0.00 0.00 0.00 175.10 175.98 2bdi s SER 164 N -2.47 4.75 0.23 3.32 1.04 -1.26 -4.64 113.70 114.67 2bdi s SER 164 Ca 0.34 2.21 -0.08 0.00 0.48 0.00 0.00 55.95 58.91 2bdi s SER 164 Cb -0.13 -2.57 0.25 0.00 0.10 0.00 0.00 66.02 63.67 2bdi s SER 164 CO 0.27 -1.88 1.86 -0.08 0.98 0.00 0.00 173.24 174.39 2bdi h GLU 165 N 0.05 0.95 0.82 4.02 4.81 -1.97 0.02 114.58 123.27 2bdi h GLU 165 Ca -0.48 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 2bdi h GLU 165 Cb 1.27 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2bdi h GLU 165 CO 0.52 0.63 -0.50 1.49 -0.73 0.00 0.00 179.01 180.42 2bdi h GLU 166 N 0.98 -1.19 -0.94 1.92 4.81 -1.99 0.33 114.58 118.49 2bdi h GLU 166 Ca 0.33 0.08 0.20 0.00 -0.13 0.00 0.00 59.36 59.84 2bdi h GLU 166 Cb 0.05 0.27 -0.08 0.00 0.63 0.00 0.00 28.75 29.62 2bdi h GLU 166 CO -0.13 -0.79 0.61 0.28 -0.73 0.00 0.00 179.01 178.25 2bdi h VAL 167 N -1.23 0.70 0.78 0.32 2.07 -1.84 -1.74 116.25 115.31 2bdi h VAL 167 Ca -0.11 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 2bdi h VAL 167 Cb 0.98 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2bdi h VAL 167 CO 0.12 0.10 -0.37 0.00 0.02 0.00 0.00 177.57 177.43 2bdi h SER 169 N -1.25 0.00 0.05 0.00 4.64 -0.06 -2.27 113.55 114.66 2bdi h SER 169 Ca -0.11 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.06 2bdi h SER 169 Cb 0.81 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.91 2bdi h SER 169 CO 0.17 0.02 -0.63 0.11 -0.87 0.00 0.00 176.83 175.64 2bdi h LYS 170 N 0.00 0.34 0.00 4.77 1.57 -1.15 0.13 116.57 122.23 2bdi h LYS 170 Ca -0.00 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2bdi h LYS 170 Cb 0.04 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2bdi h LYS 170 CO 0.00 1.13 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.93 2bdi h LEU 171 N -0.25 0.00 -2.16 2.94 3.38 -0.12 -2.99 115.31 116.11 2bdi h LEU 171 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2bdi h LEU 171 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2bdi h LEU 171 CO 0.12 0.01 0.00 -1.22 0.09 0.00 0.00 178.44 177.44 2bdi n TYR 172 N -3.31 0.00 -1.62 1.13 4.01 -0.91 -5.02 117.16 111.43 2bdi n TYR 172 Ca -0.03 -0.30 -0.43 0.00 -0.16 0.00 0.00 57.90 56.98 2bdi n TYR 172 Cb 0.11 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.30 1.67 -1.30 7.72 -0.08 0.45 -0.33 116.55 124.37 2bdi n ASP 173 Ca 0.00 1.14 0.11 0.00 -1.51 0.00 0.00 54.79 54.53 2bdi n ASP 173 Cb 0.25 -1.36 0.31 0.00 2.34 0.00 0.00 41.12 42.66 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 0.48 2.69 0.18 -0.67 -0.04 -1.26 -4.83 135.00 131.55 2bdi n PRO 174 Ca 0.08 -2.51 0.13 0.00 -0.04 0.00 0.00 63.50 61.17 2bdi n PRO 174 Cb 0.35 -1.57 0.41 0.00 -0.04 0.00 0.00 33.50 32.66 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 4.03 0.00 -9.86 1.53 3.38 -1.05 -3.46 115.31 109.88 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 0.97 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.77 2bdi h LEU 175 CO 0.02 0.00 0.62 -0.47 0.09 0.00 0.00 178.44 178.70 2bdi s TYR 176 N -3.30 3.14 0.06 1.13 6.14 -0.46 -4.88 117.35 119.18 2bdi s TYR 176 Ca 0.06 1.44 0.01 0.00 0.64 0.00 0.00 57.07 59.22 2bdi s TYR 176 Cb 0.09 -3.62 -0.04 0.00 0.42 0.00 0.00 41.96 38.81 2bdi s TYR 176 CO 0.57 -1.68 -0.05 -1.58 0.64 0.00 0.00 175.55 173.44 2bdi s HIS 177 N -1.05 0.64 -1.18 4.97 2.46 -1.26 -4.95 115.29 114.91 2bdi s HIS 177 Ca 0.49 -0.85 0.03 0.00 0.47 0.00 0.00 55.06 55.20 2bdi s HIS 177 Cb -0.38 -0.41 0.14 0.00 -0.13 0.00 0.00 32.58 31.79 2bdi s HIS 177 CO 0.50 -0.23 1.01 -2.30 -2.47 0.00 0.00 174.74 171.26 2bdi n PRO 178 N 0.48 0.02 -0.69 2.88 -0.02 -1.26 -1.06 135.00 135.35 2bdi n PRO 178 Ca -0.16 0.37 0.01 0.00 -2.02 0.00 0.00 63.50 61.70 2bdi n PRO 178 Cb 0.59 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.83 2bdi n PRO 178 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bdi n SER 179 N -1.41 4.26 -3.96 2.55 3.41 -1.26 -4.78 113.62 112.43 2bdi n SER 179 Ca 0.01 -2.75 -0.09 0.00 -0.26 0.00 0.00 58.87 55.77 2bdi n SER 179 Cb 0.03 -0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 63.25 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 -2.28 1.12 -0.02 4.33 0.23 -0.22 -1.65 119.30 120.80 2bdi s MET 180 Ca 0.39 -1.17 -0.23 0.00 -1.03 0.00 0.00 55.69 53.66 2bdi s MET 180 Cb 0.31 0.37 0.05 0.00 -1.53 0.00 0.00 34.83 34.02 2bdi s MET 180 CO 0.11 -0.40 0.50 -0.59 -2.03 0.00 0.00 175.02 172.61 2bdi s PHE 181 N -3.96 -0.42 0.19 3.16 -0.12 -0.26 -4.69 117.98 111.89 2bdi s PHE 181 Ca 0.16 0.67 -0.06 0.00 -0.05 0.00 0.00 56.93 57.65 2bdi s PHE 181 Cb 0.04 0.26 -0.06 0.00 -0.63 0.00 0.00 43.02 42.63 2bdi s PHE 181 CO -0.01 -0.52 0.46 0.00 -0.05 0.00 0.00 175.22 175.10 2bdi s ALA 183 N -1.77 -1.33 0.00 0.00 0.00 -0.86 -2.41 121.76 115.39 2bdi s ALA 183 Ca 0.44 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2bdi s ALA 183 Cb -0.12 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2bdi s ALA 183 CO 0.24 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2bdi n GLY 184 N 2.48 0.23 2.05 0.00 0.00 0.16 -2.55 105.19 107.56 2bdi n GLY 184 Ca -0.15 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 0.62 3.77 -0.02 0.00 -1.26 -4.53 105.19 103.77 2bdi n GLY 185 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2bdi n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bdi s GLY 186 N -1.99 1.63 0.45 -0.02 0.00 -1.26 -0.18 107.32 105.95 2bdi s GLY 186 Ca 0.00 -0.80 0.23 0.00 0.00 0.00 0.00 44.72 44.15 2bdi s GLY 186 CO 0.00 -0.11 1.87 -1.61 0.00 0.00 0.00 173.10 173.25 2bdi h GLN 186 N -1.81 0.00 0.00 2.90 5.75 -1.94 -2.49 115.11 117.52 2bdi h GLN 186 Ca -0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 2bdi h GLN 186 Cb 1.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.85 2bdi h GLN 186 CO 0.49 0.24 0.00 -0.40 -2.65 0.00 0.00 178.83 176.50 2bdi n ASP 186 N -3.50 0.00 -3.80 -0.69 3.85 -1.26 -4.86 116.55 106.29 2bdi n ASP 186 Ca -0.00 -0.35 -0.29 0.00 -0.71 0.00 0.00 54.79 53.44 2bdi n ASP 186 Cb 0.40 -0.08 0.02 0.00 -1.35 0.00 0.00 41.12 40.11 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 -1.08 -5.04 -3.47 0.11 6.02 -0.94 -4.97 117.38 108.01 2bdi n GLN 187 Ca 0.11 0.59 -0.37 0.00 -0.01 0.00 0.00 57.00 57.32 2bdi n GLN 187 Cb 0.08 -5.44 -0.07 0.00 1.02 0.00 0.00 30.24 25.82 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 -6.50 4.28 0.11 -1.09 1.02 -1.26 -4.41 119.74 111.90 2bdi s LYS 188 Ca 0.61 0.20 -0.26 0.00 0.02 0.00 0.00 55.97 56.54 2bdi s LYS 188 Cb -0.31 -3.43 0.08 0.00 -0.52 0.00 0.00 37.83 33.65 2bdi s LYS 188 CO 0.76 0.21 1.07 0.34 -0.92 0.00 0.00 175.35 176.80 2bdi s ASP 189 N 0.54 -0.10 0.83 2.83 2.15 -0.84 -4.15 116.67 117.92 2bdi s ASP 189 Ca 0.19 -0.39 -0.07 0.00 0.43 0.00 0.00 52.55 52.71 2bdi s ASP 189 Cb -0.14 0.40 0.16 0.00 -0.30 0.00 0.00 42.92 43.05 2bdi s ASP 189 CO 0.06 -0.76 1.14 -0.44 -0.17 0.00 0.00 175.17 175.00 2bdi s SER 190 N -3.08 3.77 0.11 -0.34 0.01 -1.26 0.46 113.70 113.38 2bdi s SER 190 Ca 0.15 -0.11 -0.26 0.00 1.31 0.00 0.00 55.95 57.04 2bdi s SER 190 Cb -0.00 -0.10 0.07 0.00 0.21 0.00 0.00 66.02 66.20 2bdi s SER 190 CO 0.01 -2.27 0.82 0.00 0.41 0.00 0.00 173.24 172.22 2bdi n ASN 192 N -0.36 0.12 0.00 0.00 4.13 -1.26 -1.13 115.26 116.76 2bdi n ASN 192 Ca -0.09 0.71 0.00 0.00 1.68 0.00 0.00 54.58 56.88 2bdi n ASN 192 Cb 0.62 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 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 1.18 0.34 0.58 7.41 0.00 -1.26 -0.33 105.19 113.11 2bdi n GLY 193 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 2.23 -4.62 1.61 8.00 -0.28 -3.45 116.55 120.04 2bdi n ASP 194 Ca 0.00 -1.61 -0.43 0.00 0.71 0.00 0.00 54.79 53.46 2bdi n ASP 194 Cb 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.81 1.58 0.00 -2.24 7.64 -1.26 -0.14 113.62 120.02 2bdi n SER 195 Ca 0.09 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.10 2bdi n SER 195 Cb 0.36 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 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 2.39 3.64 0.23 0.00 0.20 -1.61 105.19 111.17 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 0.30 -0.02 0.00 0.81 -3.65 107.32 104.38 2bdi s GLY 197 Ca 0.00 0.21 -0.14 0.00 0.00 0.00 0.00 44.72 44.79 2bdi s GLY 197 CO 0.00 0.72 0.69 2.56 0.00 0.00 0.00 173.10 177.08 2bdi s PRO 198 N -4.69 3.97 -0.26 2.90 0.04 -1.26 -0.74 135.00 134.96 2bdi s PRO 198 Ca 0.66 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2bdi s PRO 198 Cb -0.22 -2.50 0.08 0.00 0.04 0.00 0.00 34.50 31.90 2bdi s PRO 198 CO 0.59 0.20 0.02 -1.17 0.04 0.00 0.00 177.00 176.68 2bdi s LEU 199 N -2.89 2.51 -0.09 -3.56 2.96 0.21 -3.29 118.68 114.53 2bdi s LEU 199 Ca 0.52 -1.37 -0.14 0.00 -0.22 0.00 0.00 54.13 52.92 2bdi s LEU 199 Cb -0.11 -1.05 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 2bdi s LEU 199 CO 0.18 -0.32 0.33 -0.63 -1.32 0.00 0.00 176.35 174.60 2bdi s ILE 200 N 1.48 5.22 -0.10 6.68 -1.09 0.98 0.11 121.20 134.47 2bdi s ILE 200 Ca 0.02 0.65 -0.00 0.00 -2.23 0.00 0.00 60.65 59.08 2bdi s ILE 200 Cb -0.18 -3.65 0.02 0.00 -1.58 0.00 0.00 42.46 37.07 2bdi s ILE 200 CO -0.12 0.49 -0.07 0.00 -1.23 0.00 0.00 174.94 174.00 2bdi n ASN 202 N 4.80 -2.36 0.00 0.00 5.03 -1.26 -1.20 115.26 120.27 2bdi n ASN 202 Ca -0.14 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.52 2bdi n ASN 202 Cb 0.50 -4.07 0.00 0.00 -1.02 0.00 0.00 39.78 35.19 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 -1.61 0.22 3.64 7.41 0.00 -1.26 -5.00 105.19 108.58 2bdi n GLY 203 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 2.74 -0.48 1.61 1.51 -0.34 -4.74 117.35 116.18 2bdi s TYR 208 Ca 0.00 -0.19 -0.28 0.00 -1.01 0.00 0.00 57.07 55.59 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 1.07 -1.17 -1.11 0.00 0.00 175.55 174.90 2bdi s LEU 209 N -3.25 3.76 -0.19 -1.29 2.96 0.23 -0.37 118.68 120.52 2bdi s LEU 209 Ca 0.29 0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 54.47 2bdi s LEU 209 Cb -0.08 -3.41 -0.21 0.00 0.50 0.00 0.00 46.19 42.99 2bdi s LEU 209 CO 0.19 -1.20 0.08 1.67 -1.32 0.00 0.00 176.35 175.77 2bdi n GLN 210 N 7.65 0.70 -3.89 1.98 -0.06 0.12 -0.33 117.38 123.54 2bdi n GLN 210 Ca 0.10 0.24 -0.11 0.00 -2.00 0.00 0.00 57.00 55.22 2bdi n GLN 210 Cb 0.49 -1.62 0.01 0.00 -4.06 0.00 0.00 30.24 25.05 2bdi n GLN 210 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2bdi s GLY 211 N -5.91 0.77 -0.02 1.69 0.00 -0.84 -2.86 107.32 100.15 2bdi s GLY 211 Ca -0.29 -1.03 0.06 0.00 0.00 0.00 0.00 44.72 43.46 2bdi s GLY 211 CO 0.68 -0.54 -0.21 1.08 0.00 0.00 0.00 173.10 174.10 2bdi s LEU 212 N -3.14 2.03 -0.19 0.66 1.43 -1.22 -0.62 118.68 117.64 2bdi s LEU 212 Ca 0.20 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 2bdi s LEU 212 Cb -0.04 -1.10 -0.07 0.00 0.03 0.00 0.00 46.19 45.01 2bdi s LEU 212 CO 0.15 0.25 2.15 0.52 0.23 0.00 0.00 176.35 179.65 2bdi n VAL 213 N 2.62 0.41 -0.00 -1.59 0.31 0.08 -0.88 118.33 119.29 2bdi n VAL 213 Ca -0.16 -0.35 -0.00 0.00 -0.01 0.00 0.00 64.34 63.82 2bdi n VAL 213 Cb 0.53 -2.33 -0.00 0.00 -0.91 0.00 0.00 33.84 31.13 2bdi n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2bdi n SER 214 N 10.32 0.01 -2.70 4.52 2.88 -1.00 0.62 113.62 128.28 2bdi n SER 214 Ca 0.30 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.75 2bdi n SER 214 Cb 0.39 -0.35 0.02 0.00 -0.75 0.00 0.00 64.21 63.53 2bdi n SER 214 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2bdi n PHE 215 N -2.51 -2.23 0.00 0.66 1.16 -1.12 -4.89 117.46 108.53 2bdi n PHE 215 Ca -0.00 -1.79 0.00 0.00 -1.87 0.00 0.00 57.45 53.79 2bdi n PHE 215 Cb 0.00 0.85 0.00 0.00 -1.61 0.00 0.00 39.48 38.72 2bdi n PHE 215 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2bdi n GLY 216 N -0.51 0.92 3.71 4.97 0.00 -1.26 0.23 105.19 113.25 2bdi n GLY 216 Ca -0.08 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 1.47 0.09 1.61 1.02 -1.26 -5.01 119.74 115.65 2bdi s LYS 217 Ca 0.00 1.46 0.08 0.00 0.02 0.00 0.00 55.97 57.53 2bdi s LYS 217 Cb 0.00 -1.79 -0.03 0.00 -0.52 0.00 0.00 37.83 35.49 2bdi s LYS 217 CO 0.00 -2.28 -0.21 0.00 -0.92 0.00 0.00 175.35 171.94 2bdi s ALA 218 N -2.67 1.79 1.08 5.17 0.00 -1.26 -3.96 121.76 121.91 2bdi s ALA 218 Ca 0.66 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 2bdi s ALA 218 Cb -0.22 -0.27 0.23 0.00 0.00 0.00 0.00 23.12 22.86 2bdi s ALA 218 CO 0.56 0.37 1.07 -1.25 0.00 0.00 0.00 175.76 176.52 2bdi s PRO 219 N -1.69 -0.21 0.79 0.00 0.04 -1.26 -5.11 135.00 127.56 2bdi s PRO 219 Ca 0.07 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.49 2bdi s PRO 219 Cb -0.10 -1.66 0.07 0.00 0.04 0.00 0.00 34.50 32.85 2bdi s PRO 219 CO 0.04 -3.16 1.09 0.00 0.04 0.00 0.00 177.00 175.00 2bdi n GLY 220 N -1.80 -0.38 3.78 0.00 0.00 -1.26 -4.99 105.19 100.54 2bdi n GLY 220 Ca 0.07 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.94 4.58 0.22 1.61 -0.21 -1.26 -4.60 119.66 115.06 2bdi s GLN 221 Ca 0.01 1.21 -0.30 0.00 0.02 0.00 0.00 55.36 56.30 2bdi s GLN 221 Cb -0.01 -3.14 -0.10 0.00 1.00 0.00 0.00 33.01 30.77 2bdi s GLN 221 CO 0.02 0.49 1.46 0.08 -2.12 0.00 0.00 175.29 175.21 2bdi s VAL 222 N -1.28 2.72 0.00 1.09 1.01 -1.26 -1.95 120.40 120.73 2bdi s VAL 222 Ca 0.40 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2bdi s VAL 222 Cb -0.22 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2bdi s VAL 222 CO 0.26 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2bdi n GLY 223 N 2.61 0.72 2.78 4.51 0.00 0.75 -4.95 105.19 111.62 2bdi n GLY 223 Ca 0.08 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 -2.92 1.62 0.80 1.61 1.01 -0.82 -5.02 120.40 116.68 2bdi s VAL 224 Ca 0.00 -2.54 -0.11 0.00 0.00 0.00 0.00 61.98 59.33 2bdi s VAL 224 Cb 0.00 -2.14 0.07 0.00 0.00 0.00 0.00 36.38 34.31 2bdi s VAL 224 CO 0.00 -0.83 1.09 -2.16 0.00 0.00 0.00 175.10 173.20 2bdi s PRO 225 N 0.43 2.03 0.40 2.72 0.04 -1.26 -4.28 135.00 135.08 2bdi s PRO 225 Ca 0.16 0.96 -0.06 0.00 0.04 0.00 0.00 61.00 62.10 2bdi s PRO 225 Cb -0.24 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2bdi s PRO 225 CO -0.03 -1.74 0.70 0.20 0.04 0.00 0.00 177.00 176.16 2bdi s GLY 226 N -3.53 1.68 -0.05 0.56 0.00 -1.06 -4.67 107.32 100.24 2bdi s GLY 226 Ca 0.61 -0.49 -0.04 0.00 0.00 0.00 0.00 44.72 44.81 2bdi s GLY 226 CO 0.56 -0.34 0.12 0.14 0.00 0.00 0.00 173.10 173.58 2bdi s VAL 227 N -2.44 5.17 0.03 1.40 1.01 0.14 -2.03 120.40 123.67 2bdi s VAL 227 Ca 0.47 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2bdi s VAL 227 Cb -0.10 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2bdi s VAL 227 CO 0.37 0.46 -0.06 -0.31 0.00 0.00 0.00 175.10 175.56 2bdi s TYR 228 N -1.15 0.53 0.14 5.22 1.51 0.30 -2.37 117.35 121.54 2bdi s TYR 228 Ca 0.21 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.57 2bdi s TYR 228 Cb -0.12 -0.33 -0.09 0.00 -0.11 0.00 0.00 41.96 41.31 2bdi s TYR 228 CO 0.11 -0.07 1.45 0.99 -1.11 0.00 0.00 175.55 176.92 2bdi s THR 229 N -1.02 3.02 -1.26 -0.71 2.01 -0.05 -1.10 115.64 116.53 2bdi s THR 229 Ca -0.07 0.74 -0.16 0.00 0.31 0.00 0.00 61.69 62.51 2bdi s THR 229 Cb -0.08 -3.48 0.11 0.00 0.01 0.00 0.00 72.50 69.07 2bdi s THR 229 CO 0.00 0.06 1.62 0.21 -0.69 0.00 0.00 174.62 175.82 2bdi s ASN 230 N 1.05 6.94 0.57 3.53 2.47 -0.66 -3.37 114.94 125.47 2bdi s ASN 230 Ca 0.66 -2.68 0.29 0.00 0.42 0.00 0.00 52.86 51.56 2bdi s ASN 230 Cb -0.40 -2.51 1.47 0.00 -1.45 0.00 0.00 41.25 38.36 2bdi s ASN 230 CO 0.32 -1.00 1.90 -0.07 -3.72 0.00 0.00 177.10 174.53 2bdi h LEU 231 N 11.42 0.00 0.00 3.21 3.38 -1.85 0.19 115.31 131.65 2bdi h LEU 231 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2bdi h LEU 231 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2bdi h LEU 231 CO 1.37 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.90 2bdi n LYS 233 N -1.00 0.58 -0.25 0.00 4.76 0.65 -4.39 118.16 118.51 2bdi n LYS 233 Ca 0.13 -0.08 0.09 0.00 -2.87 0.00 0.00 58.31 55.57 2bdi n LYS 233 Cb 0.06 -1.43 0.16 0.00 -1.84 0.00 0.00 35.03 31.99 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 -1.34 0.00 0.20 2.13 3.72 0.66 -4.81 117.46 118.02 2bdi n PHE 234 Ca 0.04 -1.17 -0.15 0.00 -0.05 0.00 0.00 57.45 56.12 2bdi n PHE 234 Cb 0.32 -0.18 -0.08 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.34 0.24 -0.69 4.37 1.35 -1.76 0.33 112.91 117.09 2bdi h THR 235 Ca -0.00 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.99 2bdi h THR 235 Cb 1.00 0.24 -0.09 0.00 -1.73 0.00 0.00 68.15 67.57 2bdi h THR 235 CO 0.00 0.00 0.21 -0.08 -0.25 0.00 0.00 175.52 175.40 2bdi h GLU 236 N -0.72 0.34 0.06 4.72 4.81 -1.94 0.14 114.58 121.98 2bdi h GLU 236 Ca -0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2bdi h GLU 236 Cb 0.67 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2bdi h GLU 236 CO -0.10 0.22 -0.03 2.35 -0.73 0.00 0.00 179.01 180.72 2bdi h TRP 237 N 0.35 -0.07 -0.82 0.92 7.01 -1.81 -0.38 115.95 121.14 2bdi h TRP 237 Ca 0.37 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.52 2bdi h TRP 237 Cb 0.56 0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.59 2bdi h TRP 237 CO -0.21 0.09 0.54 0.82 -2.79 0.00 0.00 178.44 176.89 2bdi h ILE 238 N -0.21 0.80 0.37 2.65 2.04 0.86 -2.00 117.51 122.01 2bdi h ILE 238 Ca -0.01 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2bdi h ILE 238 Cb 0.19 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2bdi h ILE 238 CO 0.01 0.10 -0.18 -0.08 0.00 0.00 0.00 178.15 178.00 2bdi h GLU 239 N 0.52 -0.48 -0.55 2.37 4.57 -0.19 -1.55 114.58 119.28 2bdi h GLU 239 Ca 0.41 0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.78 2bdi h GLU 239 Cb 0.83 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 2bdi h GLU 239 CO -0.16 -0.32 0.64 -0.22 -1.18 0.00 0.00 179.01 177.78 2bdi h LYS 240 N -1.03 0.00 0.00 1.92 3.64 -0.92 0.05 116.57 120.23 2bdi h LYS 240 Ca -0.05 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2bdi h LYS 240 Cb 0.38 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 -0.48 1.15 -2.27 0.00 0.00 179.45 177.93 2bdi h THR 241 N 0.00 0.44 -0.63 1.00 2.02 -1.32 -3.17 112.91 111.25 2bdi h THR 241 Ca 0.26 -1.44 0.08 0.00 0.77 0.00 0.00 66.41 66.08 2bdi h THR 241 Cb 1.54 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 68.83 2bdi h THR 241 CO -0.00 0.15 0.28 0.58 0.37 0.00 0.00 175.52 176.90 2bdi h VAL 242 N -1.00 0.84 0.00 3.16 2.07 -0.55 -3.36 116.25 117.40 2bdi h VAL 242 Ca -0.08 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2bdi h VAL 242 Cb 0.62 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 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 -4.92 0.00 0.00 1.57 -0.06 -0.06 -5.09 117.38 108.81 2bdi n GLN 243 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 2bdi n GLN 243 Cb 0.24 -0.05 0.00 0.00 -4.06 0.00 0.00 30.24 26.37 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86