#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 4.62 -1.29 1.39 -1.09 0.26 -4.00 121.20 121.09 2bdi s ILE 17 Ca 0.00 -0.09 -0.04 0.00 -2.23 0.00 0.00 60.65 58.29 2bdi s ILE 17 Cb 0.00 -3.10 0.01 0.00 -1.58 0.00 0.00 42.46 37.79 2bdi s ILE 17 CO 0.00 0.43 1.02 0.59 -1.23 0.00 0.00 174.94 175.75 2bdi n ASN 18 N 3.83 -3.55 -0.25 3.58 5.03 -1.26 -2.42 115.26 120.22 2bdi n ASN 18 Ca -0.16 -0.63 0.00 0.00 0.87 0.00 0.00 54.58 54.65 2bdi n ASN 18 Cb 0.52 -4.85 0.00 0.00 -1.02 0.00 0.00 39.78 34.43 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 -1.52 7.15 3.31 7.41 0.00 -1.26 -4.81 105.19 115.46 2bdi n GLY 19 Ca -0.17 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 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 0.72 1.15 0.01 1.61 2.02 0.83 -4.92 118.70 120.12 2bdi s GLU 20 Ca 0.00 -1.29 -0.35 0.00 0.02 0.00 0.00 54.97 53.35 2bdi s GLU 20 Cb 0.00 0.34 -0.13 0.00 0.10 0.00 0.00 34.13 34.44 2bdi s GLU 20 CO 0.00 -0.41 1.69 -0.25 0.02 0.00 0.00 175.26 176.32 2bdi n ASP 21 N -0.21 3.04 -4.73 -0.19 9.92 -1.26 -0.71 116.55 122.40 2bdi n ASP 21 Ca -0.05 1.04 -0.31 0.00 -0.53 0.00 0.00 54.79 54.94 2bdi n ASP 21 Cb 0.63 -1.36 0.12 0.00 -0.64 0.00 0.00 41.12 39.88 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 -3.11 6.37 -0.42 0.00 0.15 -1.26 -4.84 113.70 110.59 2bdi s SER 23 Ca 0.63 1.91 -0.39 0.00 0.70 0.00 0.00 55.95 58.80 2bdi s SER 23 Cb -0.19 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.42 2bdi s SER 23 CO 0.57 -1.22 1.36 -2.65 1.20 0.00 0.00 173.24 172.50 2bdi n PRO 24 N 7.62 0.00 -1.53 5.44 -0.02 -1.26 0.77 135.00 146.03 2bdi n PRO 24 Ca 0.20 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.56 2bdi n PRO 24 Cb 0.44 -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 3.54 -0.12 0.67 6.00 8.25 -1.26 -4.89 115.22 127.41 2bdi n HIS 25 Ca 0.27 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.86 2bdi n HIS 25 Cb -0.05 -2.27 0.47 0.00 1.12 0.00 0.00 29.99 29.26 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 0.04 0.47 -3.36 0.41 3.41 0.23 -3.95 113.62 110.87 2bdi n SER 26 Ca -0.12 0.56 -0.26 0.00 -0.26 0.00 0.00 58.87 58.79 2bdi n SER 26 Cb 0.43 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.96 1.58 0.05 4.33 1.13 -1.26 -4.96 117.38 116.30 2bdi n GLN 27 Ca 0.05 -3.97 0.04 0.00 -1.94 0.00 0.00 57.00 51.18 2bdi n GLN 27 Cb 0.34 -1.80 0.21 0.00 0.11 0.00 0.00 30.24 29.10 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 1.30 0.05 0.00 -1.09 -0.04 -1.25 -1.58 135.00 132.38 2bdi n PRO 28 Ca 0.26 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.37 2bdi n PRO 28 Cb 0.46 -1.65 0.33 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.75 0.00 -1.93 0.54 2.14 -1.04 -2.33 117.44 113.07 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 -0.18 -0.03 0.00 -0.81 0.00 0.00 31.31 30.31 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 4.20 -0.13 -2.67 2.00 -0.62 -1.06 119.66 118.66 2bdi s GLN 30 Ca 0.19 2.34 0.00 0.00 -2.00 0.00 0.00 55.36 55.89 2bdi s GLN 30 Cb 0.18 -3.47 -0.01 0.00 0.80 0.00 0.00 33.01 30.51 2bdi s GLN 30 CO 0.60 -0.70 -0.15 0.00 -0.50 0.00 0.00 175.29 174.54 2bdi s ALA 31 N 2.22 2.53 -0.11 1.58 0.00 -0.19 -4.32 121.76 123.47 2bdi s ALA 31 Ca 0.73 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 2bdi s ALA 31 Cb -0.41 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2bdi s ALA 31 CO 0.32 0.20 0.20 0.00 0.00 0.00 0.00 175.76 176.48 2bdi s ALA 32 N 0.44 3.81 -0.29 0.00 0.00 -0.66 -0.01 121.76 125.05 2bdi s ALA 32 Ca -0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2bdi s ALA 32 Cb -0.16 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 20.89 2bdi s ALA 32 CO 0.05 0.52 0.01 -0.51 0.00 0.00 0.00 175.76 175.83 2bdi s LEU 33 N -0.82 3.75 0.07 0.00 1.02 -1.11 -0.83 118.68 120.76 2bdi s LEU 33 Ca 0.16 -1.04 0.07 0.00 0.02 0.00 0.00 54.13 53.35 2bdi s LEU 33 Cb -0.13 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 2bdi s LEU 33 CO 0.05 -0.22 -0.15 0.68 0.02 0.00 0.00 176.35 176.73 2bdi s VAL 34 N 1.34 3.01 0.00 -1.59 -7.23 -1.15 -1.14 120.40 113.64 2bdi s VAL 34 Ca -0.02 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2bdi s VAL 34 Cb -0.18 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2bdi s VAL 34 CO -0.01 0.24 0.00 0.23 -0.31 0.00 0.00 175.10 175.25 2bdi n MET 35 N 1.19 3.80 -0.22 4.82 2.81 0.13 -3.80 117.12 125.85 2bdi n MET 35 Ca -0.15 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.68 2bdi n MET 35 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.98 2bdi n MET 35 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2bdi n GLU 36 N 0.00 -0.23 -0.46 0.03 4.71 -1.26 -3.58 120.64 119.86 2bdi n GLU 36 Ca 0.00 0.79 0.00 0.00 -0.01 0.00 0.00 57.16 57.94 2bdi n GLU 36 Cb 0.00 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 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 -4.63 0.00 -4.13 1.62 4.13 -1.26 -5.13 115.26 105.86 2bdi n ASN 37 Ca 0.01 -1.17 -0.09 0.00 1.68 0.00 0.00 54.58 55.01 2bdi n ASN 37 Cb 0.13 -0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.24 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 0.76 0.05 3.52 2.12 -1.23 -5.12 118.70 118.79 2bdi s GLU 38 Ca 0.00 -1.31 -0.24 0.00 0.36 0.00 0.00 54.97 53.79 2bdi s GLU 38 Cb 0.00 0.05 -0.06 0.00 0.26 0.00 0.00 34.13 34.38 2bdi s GLU 38 CO 0.00 -0.10 0.72 -1.17 -0.54 0.00 0.00 175.26 174.16 2bdi s LEU 40 N -2.99 4.46 0.00 2.70 1.98 -1.26 0.19 118.68 123.75 2bdi s LEU 40 Ca 0.12 1.39 0.00 0.00 -2.89 0.00 0.00 54.13 52.75 2bdi s LEU 40 Cb 0.07 -3.15 0.00 0.00 0.66 0.00 0.00 46.19 43.77 2bdi s LEU 40 CO -0.06 0.07 0.00 2.22 -1.89 0.00 0.00 176.35 176.69 2bdi n PHE 41 N 2.60 0.00 -3.40 5.38 -1.74 -0.29 -4.94 117.46 115.07 2bdi n PHE 41 Ca -0.04 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.82 2bdi n PHE 41 Cb 0.50 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.51 2bdi n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2bdi s SER 43 N -1.89 0.27 0.33 0.00 0.01 -0.71 -2.76 113.70 108.95 2bdi s SER 43 Ca 0.07 -1.30 -0.10 0.00 1.31 0.00 0.00 55.95 55.93 2bdi s SER 43 Cb -0.02 0.47 0.02 0.00 0.21 0.00 0.00 66.02 66.70 2bdi s SER 43 CO 0.04 -0.98 0.58 -0.83 0.41 0.00 0.00 173.24 172.47 2bdi s GLY 44 N -3.15 0.82 -0.07 3.44 0.00 0.99 -4.12 107.32 105.22 2bdi s GLY 44 Ca 0.34 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 44.02 2bdi s GLY 44 CO 0.13 -0.65 -0.11 0.14 0.00 0.00 0.00 173.10 172.62 2bdi s VAL 45 N -3.16 1.07 -0.61 1.40 1.01 0.37 -1.02 120.40 119.46 2bdi s VAL 45 Ca 0.23 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 2bdi s VAL 45 Cb -0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2bdi s VAL 45 CO 0.14 0.35 1.80 -0.22 0.00 0.00 0.00 175.10 177.17 2bdi s LEU 46 N 0.88 3.29 0.00 3.92 2.96 -0.23 0.30 118.68 129.80 2bdi s LEU 46 Ca -0.11 0.31 0.22 0.00 -0.22 0.00 0.00 54.13 54.34 2bdi s LEU 46 Cb -0.15 -2.58 0.37 0.00 0.50 0.00 0.00 46.19 44.33 2bdi s LEU 46 CO 0.01 -2.30 1.34 1.33 -1.32 0.00 0.00 176.35 175.42 2bdi n VAL 47 N 7.15 0.43 -3.55 1.68 0.24 -1.01 -1.64 118.33 121.62 2bdi n VAL 47 Ca 0.19 -0.71 -0.07 0.00 -2.04 0.00 0.00 64.34 61.70 2bdi n VAL 47 Cb 0.52 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.91 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 -1.50 -0.27 0.38 6.34 5.65 -1.19 -4.73 115.29 119.97 2bdi s HIS 48 Ca 0.35 0.26 0.11 0.00 0.25 0.00 0.00 55.06 56.03 2bdi s HIS 48 Cb 0.21 0.51 0.90 0.00 -1.18 0.00 0.00 32.58 33.02 2bdi s HIS 48 CO 0.30 -0.37 1.88 -1.35 -0.65 0.00 0.00 174.74 174.55 2bdi h PRO 49 N 2.13 0.58 -0.18 2.88 0.11 -1.92 -2.87 132.00 132.73 2bdi h PRO 49 Ca -0.17 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.86 2bdi h PRO 49 Cb 1.20 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2bdi h PRO 49 CO 0.28 0.39 -0.08 0.94 -0.21 0.00 0.00 178.00 179.32 2bdi n GLN 50 N -4.54 2.03 -3.76 1.05 7.27 -1.26 -1.34 117.38 116.84 2bdi n GLN 50 Ca 0.17 -2.91 -0.14 0.00 0.07 0.00 0.00 57.00 54.19 2bdi n GLN 50 Cb 0.50 -1.72 -0.15 0.00 2.41 0.00 0.00 30.24 31.29 2bdi n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2bdi s TRP 51 N -3.00 -0.12 -0.18 3.69 0.52 -1.09 -1.38 118.94 117.38 2bdi s TRP 51 Ca 0.39 0.41 -0.02 0.00 0.02 0.00 0.00 56.10 56.90 2bdi s TRP 51 Cb 0.34 -0.11 -0.01 0.00 -1.15 0.00 0.00 33.47 32.55 2bdi s TRP 51 CO 0.03 -0.15 -0.10 0.08 0.02 0.00 0.00 176.95 176.83 2bdi s VAL 52 N 1.11 3.05 0.15 4.03 1.01 0.72 -2.40 120.40 128.05 2bdi s VAL 52 Ca -0.09 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2bdi s VAL 52 Cb -0.11 -2.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 2bdi s VAL 52 CO -0.05 0.48 0.66 -0.22 0.00 0.00 0.00 175.10 175.97 2bdi s LEU 53 N 1.02 4.48 0.00 3.92 2.96 0.15 -0.07 118.68 131.13 2bdi s LEU 53 Ca -0.01 1.39 -0.13 0.00 -0.22 0.00 0.00 54.13 55.16 2bdi s LEU 53 Cb -0.15 -3.23 0.05 0.00 0.50 0.00 0.00 46.19 43.37 2bdi s LEU 53 CO -0.01 0.17 0.67 -0.24 -1.32 0.00 0.00 176.35 175.62 2bdi n SER 54 N 1.32 -1.83 -4.71 3.68 2.88 0.58 0.14 113.62 115.68 2bdi n SER 54 Ca -0.06 -2.24 -0.40 0.00 -1.33 0.00 0.00 58.87 54.84 2bdi n SER 54 Cb 0.50 3.04 -0.04 0.00 -0.75 0.00 0.00 64.21 66.96 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 -1.88 3.33 0.44 -1.46 0.00 -1.26 0.94 121.76 121.87 2bdi s ALA 55 Ca 0.14 0.19 0.23 0.00 0.00 0.00 0.00 51.96 52.52 2bdi s ALA 55 Cb -0.04 -3.08 1.23 0.00 0.00 0.00 0.00 23.12 21.23 2bdi s ALA 55 CO 0.09 -0.23 1.78 0.00 0.00 0.00 0.00 175.76 177.41 2bdi h ALA 56 N 6.88 2.47 0.00 0.00 0.00 -1.60 0.47 119.26 127.49 2bdi h ALA 56 Ca -0.39 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2bdi h ALA 56 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bdi h ALA 56 CO 0.77 -0.86 0.00 -2.39 0.00 0.00 0.00 179.25 176.77 2bdi n HIS 57 N -4.51 0.00 -0.04 0.00 1.44 -1.26 -2.10 115.22 108.75 2bdi n HIS 57 Ca 0.25 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.00 2bdi n HIS 57 Cb 0.97 -0.04 0.09 0.00 0.12 0.00 0.00 29.99 31.12 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 0.20 1.58 -4.19 0.00 7.35 -0.89 -5.00 117.46 116.51 2bdi n PHE 59 Ca 0.07 0.64 -0.14 0.00 -0.76 0.00 0.00 57.45 57.26 2bdi n PHE 59 Cb 0.33 -2.31 -0.08 0.00 0.35 0.00 0.00 39.48 37.77 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 -1.36 1.46 0.06 -4.13 -1.52 -1.26 -5.05 119.66 107.87 2bdi s GLN 60 Ca 0.61 -1.71 0.10 0.00 -1.95 0.00 0.00 55.36 52.41 2bdi s GLN 60 Cb -0.68 0.32 -0.21 0.00 -0.22 0.00 0.00 33.01 32.22 2bdi s GLN 60 CO 0.58 -0.53 1.05 -0.91 -0.25 0.00 0.00 175.29 175.23 2bdi h ASN 61 N 2.40 0.00 -3.99 5.90 2.35 -1.94 -3.46 115.58 116.83 2bdi h ASN 61 Ca -0.31 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.32 2bdi h ASN 61 Cb 1.24 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.38 2bdi h ASN 61 CO 0.45 0.97 -0.24 -0.94 -1.65 0.00 0.00 177.43 176.03 2bdi s SER 62 N -6.45 -0.41 0.26 5.81 1.04 -1.26 -4.59 113.70 108.10 2bdi s SER 62 Ca -0.01 0.76 0.11 0.00 0.48 0.00 0.00 55.95 57.29 2bdi s SER 62 Cb 0.09 0.78 -0.05 0.00 0.10 0.00 0.00 66.02 66.95 2bdi s SER 62 CO 0.82 -0.17 -0.18 -0.31 0.98 0.00 0.00 173.24 174.38 2bdi s TYR 63 N 0.07 2.35 -0.61 5.02 1.51 -0.07 -5.01 117.35 120.61 2bdi s TYR 63 Ca -0.01 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 2bdi s TYR 63 Cb -0.03 -1.05 0.15 0.00 -0.11 0.00 0.00 41.96 40.92 2bdi s TYR 63 CO 0.01 0.66 0.39 0.99 -1.11 0.00 0.00 175.55 176.49 2bdi s THR 64 N -2.32 2.57 0.09 -0.71 2.01 -1.25 -2.56 115.64 113.47 2bdi s THR 64 Ca 0.28 -3.76 -0.30 0.00 0.31 0.00 0.00 61.69 58.22 2bdi s THR 64 Cb -0.06 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2bdi s THR 64 CO 0.15 -0.94 1.04 -0.63 -0.69 0.00 0.00 174.62 173.55 2bdi s ILE 65 N -0.86 4.38 -0.25 1.82 1.01 -1.00 -2.94 121.20 123.36 2bdi s ILE 65 Ca 0.22 1.87 -0.05 0.00 0.00 0.00 0.00 60.65 62.68 2bdi s ILE 65 Cb -0.13 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 2bdi s ILE 65 CO -0.10 0.23 0.02 -0.83 0.00 0.00 0.00 174.94 174.27 2bdi s GLY 66 N 0.41 1.70 0.22 6.18 0.00 -0.01 -1.67 107.32 114.16 2bdi s GLY 66 Ca 0.51 -1.23 0.07 0.00 0.00 0.00 0.00 44.72 44.06 2bdi s GLY 66 CO 0.30 0.52 0.15 1.08 0.00 0.00 0.00 173.10 175.15 2bdi s LEU 67 N 1.52 3.73 -1.45 0.66 1.43 -0.46 -1.65 118.68 122.47 2bdi s LEU 67 Ca 0.05 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2bdi s LEU 67 Cb -0.15 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2bdi s LEU 67 CO 0.00 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2bdi n GLY 69 N -0.82 1.42 3.95 -3.19 0.00 -1.26 -1.65 105.19 103.63 2bdi n GLY 69 Ca -0.08 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.10 2.92 0.00 0.99 1.43 -1.26 -4.13 118.68 115.53 2bdi s LEU 70 Ca 0.00 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2bdi s LEU 70 Cb 0.00 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.37 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 -2.85 -0.40 -4.28 0.29 -0.00 -1.26 -4.66 115.22 102.06 2bdi n HIS 71 Ca 0.09 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.56 2bdi n HIS 71 Cb 0.60 0.17 -0.08 0.00 -0.00 0.00 0.00 29.99 30.68 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 -2.61 4.39 0.54 0.26 1.04 -1.26 -1.39 113.70 114.68 2bdi s SER 72 Ca 0.00 -0.58 0.32 0.00 0.48 0.00 0.00 55.95 56.17 2bdi s SER 72 Cb 0.00 -0.79 1.45 0.00 0.10 0.00 0.00 66.02 66.79 2bdi s SER 72 CO 0.00 0.07 2.03 -0.07 0.98 0.00 0.00 173.24 176.25 2bdi h LEU 73 N 2.57 0.00 -7.78 2.42 3.38 -1.95 -3.38 115.31 110.58 2bdi h LEU 73 Ca -0.46 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.26 2bdi h LEU 73 Cb 1.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2bdi h LEU 73 CO 0.57 0.06 0.76 -0.62 0.09 0.00 0.00 178.44 179.30 2bdi n GLU 74 N -3.24 0.78 -0.32 1.13 -0.58 -1.26 -4.80 120.64 112.35 2bdi n GLU 74 Ca -0.00 -1.93 0.18 0.00 -0.42 0.00 0.00 57.16 54.98 2bdi n GLU 74 Cb 0.28 -3.62 0.36 0.00 -0.57 0.00 0.00 31.44 27.90 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 10.41 1.50 -0.12 0.62 0.00 -1.95 -1.71 119.26 128.02 2bdi h ALA 74 Ca 0.15 0.25 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 2bdi h ALA 74 Cb 0.91 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2bdi h ALA 74 CO 1.29 -0.58 -0.10 -0.40 0.00 0.00 0.00 179.25 179.46 2bdi n ASP 75 N -5.25 5.55 0.00 0.00 5.75 -1.26 -2.12 116.55 119.22 2bdi n ASP 75 Ca 0.26 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 2bdi n ASP 75 Cb 0.84 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 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 1.80 0.00 -3.96 0.11 6.02 -0.64 -5.05 117.38 115.66 2bdi n GLN 76 Ca 0.31 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.99 2bdi n GLN 76 Cb 0.72 -0.14 -0.16 0.00 1.02 0.00 0.00 30.24 31.68 2bdi n GLN 76 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2bdi s GLU 77 N 0.00 1.86 0.00 -1.09 0.41 -0.90 -5.02 118.70 113.97 2bdi s GLU 77 Ca 0.00 -0.71 0.00 0.00 -0.41 0.00 0.00 54.97 53.85 2bdi s GLU 77 Cb 0.00 -2.25 0.00 0.00 -1.78 0.00 0.00 34.13 30.10 2bdi s GLU 77 CO 0.00 -0.41 0.00 -2.30 -0.49 0.00 0.00 175.26 172.06 2bdi n PRO 78 N 4.75 0.00 0.00 0.39 -0.02 -1.26 -2.78 135.00 136.08 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 3.75 -1.23 0.00 -1.26 -4.75 105.19 101.71 2bdi n GLY 79 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2bdi n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bdi s SER 80 N -1.59 5.33 -0.13 1.61 1.04 -1.12 -4.74 113.70 114.10 2bdi s SER 80 Ca 0.00 2.59 -0.04 0.00 0.48 0.00 0.00 55.95 58.98 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 -1.51 0.11 -1.10 0.98 0.00 0.00 173.24 171.72 2bdi s GLN 81 N -3.02 0.05 -1.28 4.02 -0.21 -0.66 -4.99 119.66 113.57 2bdi s GLN 81 Ca 0.73 0.16 -0.13 0.00 0.02 0.00 0.00 55.36 56.13 2bdi s GLN 81 Cb -0.36 -1.22 0.14 0.00 1.00 0.00 0.00 33.01 32.57 2bdi s GLN 81 CO 0.41 -0.54 1.72 -1.33 -2.12 0.00 0.00 175.29 173.43 2bdi n MET 82 N 5.30 3.35 -1.29 2.91 2.81 -1.26 -1.35 117.12 127.59 2bdi n MET 82 Ca -0.06 -3.50 -0.30 0.00 -1.81 0.00 0.00 57.70 52.03 2bdi n MET 82 Cb 0.49 -3.12 0.23 0.00 -0.71 0.00 0.00 33.22 30.12 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 1.89 1.67 0.08 2.03 -7.23 -0.67 -4.88 120.40 113.30 2bdi s VAL 83 Ca 0.44 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.64 2bdi s VAL 83 Cb 0.04 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 2bdi s VAL 83 CO 0.01 0.00 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.10 2bdi s GLU 84 N -5.56 0.74 0.17 4.82 2.02 -1.26 -2.37 118.70 117.25 2bdi s GLU 84 Ca 0.72 -1.05 -0.20 0.00 0.02 0.00 0.00 54.97 54.47 2bdi s GLU 84 Cb -0.07 -0.41 0.05 0.00 0.10 0.00 0.00 34.13 33.79 2bdi s GLU 84 CO 0.55 0.06 0.54 0.00 0.02 0.00 0.00 175.26 176.43 2bdi s ALA 85 N -2.24 -1.26 0.00 5.21 0.00 -1.06 -1.08 121.76 121.34 2bdi s ALA 85 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2bdi s ALA 85 Cb -0.04 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.91 2bdi s ALA 85 CO -0.01 -0.76 0.00 -1.13 0.00 0.00 0.00 175.76 173.86 2bdi n SER 86 N -0.34 0.00 -4.57 0.00 3.41 -1.26 -0.89 113.62 109.97 2bdi n SER 86 Ca -0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.04 2bdi n SER 86 Cb 0.64 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 2bdi n SER 86 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2bdi s LEU 87 N -0.04 3.97 0.01 1.04 0.20 -1.26 -4.68 118.68 117.93 2bdi s LEU 87 Ca 0.00 0.20 0.08 0.00 0.69 0.00 0.00 54.13 55.10 2bdi s LEU 87 Cb 0.00 -3.23 -0.03 0.00 -0.43 0.00 0.00 46.19 42.50 2bdi s LEU 87 CO 0.00 -1.05 -0.23 -0.94 -0.29 0.00 0.00 176.35 173.84 2bdi s SER 88 N 2.24 3.36 -0.28 3.68 1.04 -1.26 -0.56 113.70 121.91 2bdi s SER 88 Ca 0.38 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.36 2bdi s SER 88 Cb -0.10 -0.44 0.08 0.00 0.10 0.00 0.00 66.02 65.65 2bdi s SER 88 CO 0.26 0.29 -0.00 -0.69 0.98 0.00 0.00 173.24 174.08 2bdi s VAL 89 N -0.74 1.64 0.54 5.02 1.01 0.14 -4.99 120.40 123.01 2bdi s VAL 89 Ca 0.12 -1.56 -0.18 0.00 0.00 0.00 0.00 61.98 60.36 2bdi s VAL 89 Cb -0.10 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 2bdi s VAL 89 CO 0.01 -0.32 1.04 -0.13 0.00 0.00 0.00 175.10 175.70 2bdi s ARG 90 N 1.29 3.61 0.30 2.72 0.52 -1.26 -1.69 118.95 124.44 2bdi s ARG 90 Ca 0.01 1.22 -0.29 0.00 -0.52 0.00 0.00 55.73 56.15 2bdi s ARG 90 Cb -0.19 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.11 2bdi s ARG 90 CO -0.10 -0.58 1.31 -1.58 0.02 0.00 0.00 175.30 174.37 2bdi s HIS 91 N -2.30 3.11 0.22 -0.53 5.65 -0.87 -4.90 115.29 115.67 2bdi s HIS 91 Ca 0.64 1.36 -0.14 0.00 0.25 0.00 0.00 55.06 57.17 2bdi s HIS 91 Cb -0.15 -3.66 0.26 0.00 -1.18 0.00 0.00 32.58 27.85 2bdi s HIS 91 CO 0.29 -1.87 1.42 -2.30 -0.65 0.00 0.00 174.74 171.63 2bdi n PRO 92 N 1.26 -0.18 -0.29 2.88 -0.02 -1.26 -0.98 135.00 136.41 2bdi n PRO 92 Ca 0.02 1.41 0.04 0.00 -2.02 0.00 0.00 63.50 62.94 2bdi n PRO 92 Cb 0.42 -2.09 0.16 0.00 -0.02 0.00 0.00 33.50 31.97 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 -5.37 2.29 -1.66 -0.52 -0.58 -1.26 -4.98 120.64 108.56 2bdi n GLU 93 Ca 0.10 -1.24 -0.41 0.00 -0.42 0.00 0.00 57.16 55.20 2bdi n GLU 93 Cb 0.39 -1.60 0.02 0.00 -0.57 0.00 0.00 31.44 29.67 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 0.32 1.62 -1.40 -0.32 9.36 -0.15 -1.88 117.16 124.71 2bdi n TYR 94 Ca 0.11 0.52 -0.14 0.00 3.32 0.00 0.00 57.90 61.71 2bdi n TYR 94 Cb 0.50 -2.29 -0.06 0.00 -0.63 0.00 0.00 39.34 36.86 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 0.20 -5.49 -3.62 2.98 2.85 0.55 -4.93 115.26 107.79 2bdi n ASN 95 Ca 0.09 0.35 -0.29 0.00 -0.11 0.00 0.00 54.58 54.61 2bdi n ASN 95 Cb 0.40 -4.33 -0.14 0.00 1.24 0.00 0.00 39.78 36.95 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 -3.17 0.55 0.99 1.20 1.81 -0.79 -2.79 118.95 116.76 2bdi s ARG 96 Ca 0.00 -1.00 -0.12 0.00 -1.72 0.00 0.00 55.73 52.88 2bdi s ARG 96 Cb 0.00 -1.62 0.18 0.00 -0.45 0.00 0.00 34.95 33.06 2bdi s ARG 96 CO 0.00 -1.05 1.10 -2.14 -0.68 0.00 0.00 175.30 172.53 2bdi s PRO 97 N 1.59 0.48 0.03 3.54 0.02 -1.26 -4.88 135.00 134.53 2bdi s PRO 97 Ca 0.11 0.46 -0.38 0.00 0.02 0.00 0.00 61.00 61.22 2bdi s PRO 97 Cb -0.18 -1.75 -0.17 0.00 0.02 0.00 0.00 34.50 32.41 2bdi s PRO 97 CO -0.23 -2.68 1.32 -0.11 -0.33 0.00 0.00 177.00 174.97 2bdi n LEU 98 N -4.13 1.36 0.00 -5.54 7.94 -1.12 0.00 117.00 115.51 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 0.58 -1.13 0.00 0.00 0.53 0.00 0.00 43.42 43.40 2bdi n LEU 98 CO 0.57 -1.17 0.00 0.18 -1.11 0.00 0.00 177.39 175.87 2bdi n LEU 99 N 2.56 0.00 -4.81 -1.96 4.77 -1.26 -4.94 117.00 111.37 2bdi n LEU 99 Ca 0.20 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.88 2bdi n LEU 99 Cb 0.16 -0.08 0.15 0.00 -2.33 0.00 0.00 43.42 41.32 2bdi n LEU 99 CO 0.64 0.00 0.74 0.00 -1.33 0.00 0.00 177.39 177.44 2bdi s ALA 100 N -1.78 1.84 -1.54 -1.18 0.00 0.10 -4.13 121.76 115.07 2bdi s ALA 100 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2bdi s ALA 100 Cb 0.00 -2.96 0.04 0.00 0.00 0.00 0.00 23.12 20.20 2bdi s ALA 100 CO 0.00 -2.39 0.28 0.09 0.00 0.00 0.00 175.76 173.75 2bdi n ASN 101 N -3.82 -0.17 -2.23 0.00 4.13 -1.26 -0.33 115.26 111.58 2bdi n ASN 101 Ca 0.09 -1.15 -0.15 0.00 1.68 0.00 0.00 54.58 55.05 2bdi n ASN 101 Cb 0.60 -2.23 -0.14 0.00 -1.54 0.00 0.00 39.78 36.47 2bdi n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2bdi n ASP 102 N -2.86 5.24 -4.35 6.41 2.03 -1.26 -4.19 116.55 117.56 2bdi n ASP 102 Ca -0.24 -2.41 -0.24 0.00 0.52 0.00 0.00 54.79 52.42 2bdi n ASP 102 Cb 0.65 -1.31 -0.12 0.00 -0.72 0.00 0.00 41.12 39.62 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 0.02 2.41 -0.16 -2.67 2.34 -1.26 -2.37 118.68 116.99 2bdi s LEU 103 Ca 0.61 -0.83 -0.11 0.00 0.06 0.00 0.00 54.13 53.87 2bdi s LEU 103 Cb 0.27 -0.95 0.05 0.00 -0.56 0.00 0.00 46.19 45.00 2bdi s LEU 103 CO -0.01 0.04 0.41 -0.32 -1.06 0.00 0.00 176.35 175.40 2bdi s MET 104 N -2.57 0.42 -0.19 1.48 1.75 0.27 -2.04 119.30 118.41 2bdi s MET 104 Ca 0.15 0.71 -0.15 0.00 -1.25 0.00 0.00 55.69 55.16 2bdi s MET 104 Cb -0.07 0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.61 2bdi s MET 104 CO 0.07 -0.13 0.35 -0.51 -0.65 0.00 0.00 175.02 174.15 2bdi s LEU 105 N 1.01 4.18 -0.21 4.11 1.43 -0.68 -0.31 118.68 128.20 2bdi s LEU 105 Ca -0.06 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 2bdi s LEU 105 Cb -0.07 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 2bdi s LEU 105 CO -0.08 -0.01 0.06 -0.63 0.23 0.00 0.00 176.35 175.91 2bdi s ILE 106 N 1.05 4.44 -0.24 -0.59 1.01 0.89 0.24 121.20 128.01 2bdi s ILE 106 Ca 0.17 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.52 2bdi s ILE 106 Cb -0.14 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 2bdi s ILE 106 CO 0.07 0.40 0.44 -0.75 0.00 0.00 0.00 174.94 175.09 2bdi s LYS 107 N 1.03 4.10 0.38 2.79 2.20 0.27 -0.20 119.74 130.31 2bdi s LYS 107 Ca 0.04 0.22 -0.25 0.00 -0.36 0.00 0.00 55.97 55.62 2bdi s LYS 107 Cb -0.14 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.48 2bdi s LYS 107 CO 0.03 -0.21 1.06 -0.51 -0.36 0.00 0.00 175.35 175.36 2bdi s LEU 108 N 1.86 4.19 0.07 5.43 1.43 -0.48 -4.00 118.68 127.19 2bdi s LEU 108 Ca 0.19 2.09 -0.37 0.00 -1.03 0.00 0.00 54.13 55.01 2bdi s LEU 108 Cb -0.15 -4.10 -0.19 0.00 0.03 0.00 0.00 46.19 41.77 2bdi s LEU 108 CO 0.09 -0.47 1.57 0.44 0.23 0.00 0.00 176.35 178.22 2bdi h ASP 109 N 2.67 -1.21 -3.42 2.29 3.45 -1.45 -3.39 116.42 115.36 2bdi h ASP 109 Ca -0.48 0.06 -0.65 0.00 0.43 0.00 0.00 57.03 56.39 2bdi h ASP 109 Cb 1.22 0.35 -0.26 0.00 -0.56 0.00 0.00 39.33 40.07 2bdi h ASP 109 CO 0.63 -0.75 -0.71 -0.70 -1.57 0.00 0.00 179.24 176.14 2bdi s GLU 110 N -5.96 3.44 0.22 3.56 2.12 -1.26 -5.09 118.70 115.74 2bdi s GLU 110 Ca -0.19 -0.60 -0.31 0.00 0.36 0.00 0.00 54.97 54.23 2bdi s GLU 110 Cb 0.03 -3.02 -0.15 0.00 0.26 0.00 0.00 34.13 31.25 2bdi s GLU 110 CO 0.60 -0.13 1.12 0.45 -0.54 0.00 0.00 175.26 176.76 2bdi n SER 111 N 4.63 1.42 -4.96 -1.70 2.88 -1.26 -4.95 113.62 109.67 2bdi n SER 111 Ca -0.18 1.15 -0.22 0.00 -1.33 0.00 0.00 58.87 58.30 2bdi n SER 111 Cb 0.51 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 -0.49 4.22 -0.28 2.46 -7.23 -0.45 -4.97 120.40 113.67 2bdi s VAL 112 Ca 0.67 -0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 60.12 2bdi s VAL 112 Cb -0.78 -3.53 -0.02 0.00 0.56 0.00 0.00 36.38 32.61 2bdi s VAL 112 CO 0.55 -0.32 0.11 -0.44 -0.31 0.00 0.00 175.10 174.68 2bdi s SER 113 N -4.17 5.33 -0.72 4.85 0.01 -1.26 -4.81 113.70 112.93 2bdi s SER 113 Ca 0.46 -0.39 -0.28 0.00 1.31 0.00 0.00 55.95 57.04 2bdi s SER 113 Cb -0.10 -1.96 -0.14 0.00 0.21 0.00 0.00 66.02 64.04 2bdi s SER 113 CO 0.36 -0.12 2.54 -0.62 0.41 0.00 0.00 173.24 175.81 2bdi n GLU 114 N 4.94 0.57 -0.11 12.44 1.02 -1.26 -4.90 120.64 133.34 2bdi n GLU 114 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2bdi n GLU 114 Cb 0.50 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 2bdi n GLU 114 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2bdi n SER 115 N 13.37 0.00 -0.03 1.62 3.41 -0.32 -4.92 113.62 126.74 2bdi n SER 115 Ca 0.50 -0.17 -0.16 0.00 -0.26 0.00 0.00 58.87 58.79 2bdi n SER 115 Cb 0.31 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.21 2bdi n SER 115 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2bdi h ASP 116 N 0.00 0.92 -0.46 4.04 -0.00 -1.95 -3.23 116.42 115.73 2bdi h ASP 116 Ca 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 57.03 56.47 2bdi h ASP 116 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.06 2bdi h ASP 116 CO 0.00 1.36 0.00 0.35 -0.00 0.00 0.00 179.24 180.95 2bdi n THR 117 N -3.95 0.89 -3.57 2.25 -2.24 -1.26 -4.81 114.28 101.59 2bdi n THR 117 Ca -0.06 -0.94 -0.29 0.00 -2.27 0.00 0.00 64.05 60.48 2bdi n THR 117 Cb 0.70 0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 69.39 2bdi n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2bdi s ILE 118 N -1.04 0.33 0.12 2.28 1.01 -1.22 -4.08 121.20 118.60 2bdi s ILE 118 Ca 0.33 -1.38 0.06 0.00 0.00 0.00 0.00 60.65 59.66 2bdi s ILE 118 Cb 0.18 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2bdi s ILE 118 CO 0.23 -0.82 -0.15 -0.60 0.00 0.00 0.00 174.94 173.60 2bdi s ARG 119 N 1.49 1.04 0.40 2.79 3.52 -0.98 -1.17 118.95 126.03 2bdi s ARG 119 Ca 0.13 -1.22 -0.04 0.00 -0.13 0.00 0.00 55.73 54.47 2bdi s ARG 119 Cb -0.19 -1.00 -0.04 0.00 -1.56 0.00 0.00 34.95 32.16 2bdi s ARG 119 CO -0.18 0.20 0.67 -1.54 -0.81 0.00 0.00 175.30 173.64 2bdi s SER 120 N -2.35 6.34 0.22 -2.12 1.04 -1.26 -2.50 113.70 113.06 2bdi s SER 120 Ca 0.08 0.77 0.12 0.00 0.48 0.00 0.00 55.95 57.40 2bdi s SER 120 Cb -0.06 -2.17 -0.05 0.00 0.10 0.00 0.00 66.02 63.84 2bdi s SER 120 CO 0.03 -0.40 -0.23 -0.51 0.98 0.00 0.00 173.24 173.12 2bdi s ILE 121 N -2.45 2.38 0.13 -1.02 2.07 -0.65 -4.92 121.20 116.74 2bdi s ILE 121 Ca 0.45 -2.14 0.01 0.00 -1.41 0.00 0.00 60.65 57.56 2bdi s ILE 121 Cb -0.10 -2.17 -0.04 0.00 0.13 0.00 0.00 42.46 40.28 2bdi s ILE 121 CO 0.38 -0.20 0.28 -0.94 -1.91 0.00 0.00 174.94 172.55 2bdi s SER 122 N -2.91 6.35 -0.06 4.50 1.04 -1.26 -4.46 113.70 116.90 2bdi s SER 122 Ca 0.23 0.24 -0.22 0.00 0.48 0.00 0.00 55.95 56.68 2bdi s SER 122 Cb -0.07 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 2bdi s SER 122 CO 0.11 0.07 0.62 -0.63 0.98 0.00 0.00 173.24 174.40 2bdi s ILE 123 N -1.69 5.04 0.28 -1.02 1.01 -1.26 -0.51 121.20 123.04 2bdi s ILE 123 Ca 0.35 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.99 2bdi s ILE 123 Cb -0.12 -3.96 -0.13 0.00 0.01 0.00 0.00 42.46 38.26 2bdi s ILE 123 CO 0.28 0.31 1.41 0.00 0.00 0.00 0.00 174.94 176.95 2bdi n ALA 124 N 3.46 1.43 0.35 9.38 0.00 0.13 -4.80 120.51 130.46 2bdi n ALA 124 Ca -0.04 0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.90 2bdi n ALA 124 Cb 0.51 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 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 1.78 0.36 -4.94 0.00 3.41 -1.26 -4.20 113.62 108.77 2bdi n SER 125 Ca 0.09 -0.36 -0.24 0.00 -0.26 0.00 0.00 58.87 58.10 2bdi n SER 125 Cb 0.34 1.63 -0.02 0.00 -0.26 0.00 0.00 64.21 65.90 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 -3.33 3.50 0.24 4.33 0.74 -1.26 -4.91 119.66 118.97 2bdi s GLN 127 Ca -0.02 -0.33 -0.08 0.00 0.05 0.00 0.00 55.36 54.97 2bdi s GLN 127 Cb 0.15 -2.70 -0.06 0.00 1.10 0.00 0.00 33.01 31.50 2bdi s GLN 127 CO 0.89 0.20 0.54 0.00 -0.55 0.00 0.00 175.29 176.37 2bdi n PRO 129 N -0.34 0.06 -4.87 0.00 -0.02 -1.26 -4.93 135.00 123.64 2bdi n PRO 129 Ca -0.00 0.02 -0.33 0.00 -2.02 0.00 0.00 63.50 61.17 2bdi n PRO 129 Cb 0.53 -1.04 -0.14 0.00 -0.02 0.00 0.00 33.50 32.82 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 -1.24 2.92 0.34 3.45 -4.23 -1.26 -5.08 115.64 110.54 2bdi s THR 130 Ca 0.62 -0.73 -0.28 0.00 -1.18 0.00 0.00 61.69 60.12 2bdi s THR 130 Cb -0.82 -2.19 -0.12 0.00 1.34 0.00 0.00 72.50 70.72 2bdi s THR 130 CO 0.58 0.55 1.38 0.00 -0.54 0.00 0.00 174.62 176.59 2bdi n ALA 132 N 3.15 1.72 0.00 3.99 0.00 -1.26 -2.11 120.51 125.99 2bdi n ALA 132 Ca -0.18 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2bdi n ALA 132 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 0.85 2.77 3.68 0.00 0.00 0.13 -4.91 105.19 107.71 2bdi n GLY 133 Ca 0.04 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 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 0.47 2.91 -4.78 1.61 2.85 -0.90 -4.50 115.26 112.92 2bdi n ASN 134 Ca 0.00 1.13 -0.36 0.00 -0.11 0.00 0.00 54.58 55.24 2bdi n ASN 134 Cb 0.00 -1.44 -0.07 0.00 1.24 0.00 0.00 39.78 39.51 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 0.39 6.43 0.34 1.20 0.15 -1.26 -0.22 113.70 120.73 2bdi s SER 135 Ca 0.69 0.51 0.04 0.00 0.70 0.00 0.00 55.95 57.89 2bdi s SER 135 Cb -0.64 -2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 61.49 2bdi s SER 135 CO 0.48 0.23 0.17 0.00 1.20 0.00 0.00 173.24 175.32 2bdi s LEU 137 N -3.44 2.30 0.03 0.00 2.96 -0.31 0.20 118.68 120.42 2bdi s LEU 137 Ca 0.34 -0.70 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2bdi s LEU 137 Cb 0.04 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 2bdi s LEU 137 CO 0.19 0.12 -0.04 0.54 -1.32 0.00 0.00 176.35 175.83 2bdi s VAL 138 N -1.09 0.24 0.04 1.68 0.11 -0.20 -0.17 120.40 121.01 2bdi s VAL 138 Ca 0.10 -0.92 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 2bdi s VAL 138 Cb -0.10 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 2bdi s VAL 138 CO 0.05 -0.44 0.08 -0.94 -3.33 0.00 0.00 175.10 170.52 2bdi s SER 139 N -1.43 0.21 0.00 3.54 1.04 -1.21 -1.68 113.70 114.17 2bdi s SER 139 Ca -0.13 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.72 2bdi s SER 139 Cb -0.10 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2bdi s SER 139 CO -0.01 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2bdi n GLY 140 N 0.76 0.65 1.68 7.32 0.00 -0.47 -4.17 105.19 110.97 2bdi n GLY 140 Ca -0.19 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.41 1.81 -0.98 1.61 8.01 -1.26 -1.37 117.44 124.86 2bdi n TRP 141 Ca 0.00 -0.74 -0.29 0.00 -1.31 0.00 0.00 57.50 55.16 2bdi n TRP 141 Cb 0.00 -0.45 0.22 0.00 -2.01 0.00 0.00 31.31 29.08 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 -1.01 1.55 0.51 6.99 0.00 -1.22 -4.27 107.32 109.88 2bdi s GLY 142 Ca 0.52 -0.61 -0.20 0.00 0.00 0.00 0.00 44.72 44.42 2bdi s GLY 142 CO 0.16 0.16 0.66 1.04 0.00 0.00 0.00 173.10 175.12 2bdi n LEU 143 N -4.66 1.24 -5.02 0.66 4.32 0.39 -3.08 117.00 110.85 2bdi n LEU 143 Ca 0.08 0.84 -0.18 0.00 -0.02 0.00 0.00 56.01 56.73 2bdi n LEU 143 Cb 0.58 -1.21 0.03 0.00 -1.62 0.00 0.00 43.42 41.20 2bdi n LEU 143 CO 0.51 -2.61 0.23 -0.76 -1.22 0.00 0.00 177.39 173.54 2bdi s LEU 144 N 0.44 3.44 0.56 2.23 1.43 0.12 -1.32 118.68 125.57 2bdi s LEU 144 Ca 0.67 -0.58 0.31 0.00 -1.03 0.00 0.00 54.13 53.50 2bdi s LEU 144 Cb -0.50 -2.26 1.47 0.00 0.03 0.00 0.00 46.19 44.93 2bdi s LEU 144 CO 0.55 -0.99 1.87 0.00 0.23 0.00 0.00 176.35 178.00 2bdi h ALA 145 N 0.45 2.67 -0.18 4.21 0.00 -1.87 0.64 119.26 125.19 2bdi h ALA 145 Ca -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.52 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 0.43 -1.03 0.00 0.27 0.00 0.00 0.00 179.25 178.92 2bdi n ASN 146 N -4.07 1.35 -0.52 0.00 0.23 -1.26 -4.88 115.26 106.11 2bdi n ASN 146 Ca 0.16 -1.75 -0.07 0.00 -0.53 0.00 0.00 54.58 52.39 2bdi n ASN 146 Cb 0.91 -0.11 -0.03 0.00 -2.08 0.00 0.00 39.78 38.47 2bdi n ASN 146 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bdi n GLY 147 N 1.02 0.90 3.52 4.83 0.00 0.22 -5.00 105.19 110.68 2bdi n GLY 147 Ca 0.14 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.46 1.90 0.10 1.61 3.00 -1.25 -4.76 118.95 117.09 2bdi s ARG 150 Ca 0.00 -1.26 -0.26 0.00 -1.00 0.00 0.00 55.73 53.22 2bdi s ARG 150 Cb 0.00 -2.11 -0.06 0.00 0.00 0.00 0.00 34.95 32.77 2bdi s ARG 150 CO 0.00 0.45 0.79 -1.64 0.00 0.00 0.00 175.30 174.90 2bdi s MET 151 N -2.54 4.54 0.72 5.12 -1.94 -1.26 0.11 119.30 124.06 2bdi s MET 151 Ca 0.22 1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 55.23 2bdi s MET 151 Cb -0.09 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.44 2bdi s MET 151 CO 0.13 0.38 1.08 -1.25 -0.01 0.00 0.00 175.02 175.35 2bdi s PRO 152 N -0.45 2.71 -0.00 2.03 0.04 -1.26 -4.95 135.00 133.12 2bdi s PRO 152 Ca 0.38 0.68 0.15 0.00 0.04 0.00 0.00 61.00 62.25 2bdi s PRO 152 Cb -0.22 -1.99 -0.19 0.00 0.04 0.00 0.00 34.50 32.15 2bdi s PRO 152 CO 0.25 -1.19 0.70 0.25 0.04 0.00 0.00 177.00 177.05 2bdi n THR 153 N -3.15 1.38 -4.48 1.26 -2.24 -1.26 -4.95 114.28 100.84 2bdi n THR 153 Ca 0.07 -0.75 -0.23 0.00 -2.27 0.00 0.00 64.05 60.87 2bdi n THR 153 Cb 0.56 -0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.75 1.59 0.20 2.28 -7.23 -1.26 -3.82 120.40 109.40 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 0.08 -2.71 -0.12 0.00 0.56 0.00 0.00 36.38 34.20 2bdi s VAL 154 CO 0.82 -0.12 1.71 -0.22 -0.31 0.00 0.00 175.10 176.98 2bdi s LEU 155 N -3.53 4.37 0.16 1.32 2.96 -0.48 -4.85 118.68 118.63 2bdi s LEU 155 Ca 0.33 2.83 -0.02 0.00 -0.22 0.00 0.00 54.13 57.06 2bdi s LEU 155 Cb 0.07 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 2bdi s LEU 155 CO 0.15 -0.96 0.35 -1.10 -1.32 0.00 0.00 176.35 173.48 2bdi s GLN 156 N 1.25 3.53 -0.00 1.98 -1.52 -0.47 -0.69 119.66 123.74 2bdi s GLN 156 Ca 0.74 -0.30 0.01 0.00 -1.95 0.00 0.00 55.36 53.87 2bdi s GLN 156 Cb -0.49 -2.88 -0.00 0.00 -0.22 0.00 0.00 33.01 29.42 2bdi s GLN 156 CO 0.32 0.46 -0.04 0.00 -0.25 0.00 0.00 175.29 175.77 2bdi s VAL 158 N -0.11 0.02 -0.07 0.00 0.11 -0.68 -0.12 120.40 119.55 2bdi s VAL 158 Ca 0.01 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 2bdi s VAL 158 Cb -0.02 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2bdi s VAL 158 CO -0.00 -0.09 -0.07 0.20 -3.33 0.00 0.00 175.10 171.81 2bdi s ASN 159 N -1.94 4.64 0.01 3.54 -0.87 -1.26 -1.03 114.94 118.04 2bdi s ASN 159 Ca -0.05 -0.03 -0.02 0.00 -1.57 0.00 0.00 52.86 51.18 2bdi s ASN 159 Cb -0.01 -1.21 -0.01 0.00 -0.02 0.00 0.00 41.25 40.00 2bdi s ASN 159 CO -0.01 0.35 0.02 0.68 -2.57 0.00 0.00 177.10 175.56 2bdi s VAL 160 N -0.72 0.09 0.10 1.60 -7.23 0.13 -4.87 120.40 109.51 2bdi s VAL 160 Ca 0.11 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.57 2bdi s VAL 160 Cb -0.11 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.52 2bdi s VAL 160 CO 0.02 -0.41 0.10 -0.44 -0.31 0.00 0.00 175.10 174.06 2bdi s SER 161 N -1.25 5.56 0.29 4.85 0.01 -1.26 -0.21 113.70 121.69 2bdi s SER 161 Ca -0.14 -0.03 -0.29 0.00 1.31 0.00 0.00 55.95 56.80 2bdi s SER 161 Cb -0.08 -1.49 -0.10 0.00 0.21 0.00 0.00 66.02 64.55 2bdi s SER 161 CO -0.00 0.14 1.44 -0.69 0.41 0.00 0.00 173.24 174.54 2bdi s VAL 162 N -1.49 2.48 0.13 3.43 1.01 0.69 0.25 120.40 126.90 2bdi s VAL 162 Ca 0.30 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2bdi s VAL 162 Cb -0.12 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2bdi s VAL 162 CO 0.23 0.08 0.29 -0.69 0.00 0.00 0.00 175.10 175.01 2bdi s VAL 163 N -0.43 5.30 0.60 2.92 1.01 -0.37 0.21 120.40 129.64 2bdi s VAL 163 Ca 0.57 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 2bdi s VAL 163 Cb -0.43 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2bdi s VAL 163 CO 0.49 -0.02 1.13 -0.94 0.00 0.00 0.00 175.10 175.76 2bdi s SER 164 N -2.88 5.41 0.22 3.32 1.04 -1.26 -4.60 113.70 114.94 2bdi s SER 164 Ca 0.36 2.11 -0.08 0.00 0.48 0.00 0.00 55.95 58.82 2bdi s SER 164 Cb -0.12 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.72 2bdi s SER 164 CO 0.28 -1.43 1.79 -0.08 0.98 0.00 0.00 173.24 174.77 2bdi h GLU 165 N 0.65 0.59 0.47 4.02 4.81 -1.97 -0.07 114.58 123.08 2bdi h GLU 165 Ca -0.49 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2bdi h GLU 165 Cb 1.26 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 2bdi h GLU 165 CO 0.55 0.39 -0.46 1.49 -0.73 0.00 0.00 179.01 180.26 2bdi h GLU 166 N 0.61 -0.89 -0.87 1.92 4.81 -1.99 0.19 114.58 118.35 2bdi h GLU 166 Ca 0.32 0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.76 2bdi h GLU 166 Cb 0.30 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 29.79 2bdi h GLU 166 CO -0.24 -0.59 0.46 0.28 -0.73 0.00 0.00 179.01 178.19 2bdi h VAL 167 N -0.93 0.74 0.69 0.32 2.07 -1.78 -1.54 116.25 115.82 2bdi h VAL 167 Ca -0.06 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2bdi h VAL 167 Cb 0.80 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2bdi h VAL 167 CO -0.05 0.12 -0.42 0.00 0.02 0.00 0.00 177.57 177.24 2bdi h SER 169 N -1.05 0.21 0.17 0.00 4.64 -0.19 0.18 113.55 117.51 2bdi h SER 169 Ca -0.09 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 60.95 2bdi h SER 169 Cb 0.84 -0.05 0.03 0.00 -0.31 0.00 0.00 62.40 62.91 2bdi h SER 169 CO 0.09 0.21 -1.16 0.11 -0.87 0.00 0.00 176.83 175.21 2bdi h LYS 170 N 0.24 0.49 0.00 4.77 1.57 -1.04 0.11 116.57 122.70 2bdi h LYS 170 Ca 0.06 -0.75 -0.01 0.00 -1.87 0.00 0.00 60.65 58.08 2bdi h LYS 170 Cb 0.07 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2bdi h LYS 170 CO -0.01 1.35 -0.03 -0.07 -0.57 0.00 0.00 179.45 180.12 2bdi h LEU 171 N 0.01 0.00 -2.78 2.94 3.38 0.11 -3.02 115.31 115.95 2bdi h LEU 171 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2bdi h LEU 171 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2bdi h LEU 171 CO 0.22 0.03 0.00 -1.22 0.09 0.00 0.00 178.44 177.56 2bdi n TYR 172 N -3.85 0.00 -1.65 1.13 4.01 0.49 -5.00 117.16 112.29 2bdi n TYR 172 Ca -0.03 -0.45 -0.43 0.00 -0.16 0.00 0.00 57.90 56.84 2bdi n TYR 172 Cb 0.12 -0.04 -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 -0.45 1.97 -1.30 7.72 -0.08 0.37 -0.78 116.55 123.99 2bdi n ASP 173 Ca 0.00 1.15 0.12 0.00 -1.51 0.00 0.00 54.79 54.55 2bdi n ASP 173 Cb 0.23 -1.40 0.30 0.00 2.34 0.00 0.00 41.12 42.59 2bdi n ASP 173 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bdi n PRO 174 N 0.48 2.65 0.17 -0.67 -0.04 -1.26 -4.83 135.00 131.49 2bdi n PRO 174 Ca 0.07 -2.54 0.13 0.00 -0.04 0.00 0.00 63.50 61.12 2bdi n PRO 174 Cb 0.36 -1.55 0.49 0.00 -0.04 0.00 0.00 33.50 32.75 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 4.30 0.00 -9.78 1.53 3.38 -1.33 -3.46 115.31 109.94 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 0.98 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.78 2bdi h LEU 175 CO 0.00 0.00 0.66 -0.47 0.09 0.00 0.00 178.44 178.72 2bdi s TYR 176 N -3.34 3.13 0.09 1.13 6.14 -0.45 -4.86 117.35 119.20 2bdi s TYR 176 Ca 0.05 1.28 0.02 0.00 0.64 0.00 0.00 57.07 59.07 2bdi s TYR 176 Cb 0.09 -3.67 -0.04 0.00 0.42 0.00 0.00 41.96 38.77 2bdi s TYR 176 CO 0.50 -1.98 -0.08 -1.58 0.64 0.00 0.00 175.55 173.05 2bdi s HIS 177 N -0.49 0.90 -1.38 4.97 2.46 -1.26 -4.94 115.29 115.54 2bdi s HIS 177 Ca 0.53 -0.77 0.03 0.00 0.47 0.00 0.00 55.06 55.32 2bdi s HIS 177 Cb -0.39 -0.51 0.14 0.00 -0.13 0.00 0.00 32.58 31.69 2bdi s HIS 177 CO 0.45 -0.10 0.92 -2.30 -2.47 0.00 0.00 174.74 171.25 2bdi n PRO 178 N 0.37 0.04 -0.67 2.88 -0.02 -1.26 -0.88 135.00 135.46 2bdi n PRO 178 Ca -0.15 0.28 0.05 0.00 -2.02 0.00 0.00 63.50 61.66 2bdi n PRO 178 Cb 0.59 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.31 4.47 -4.03 2.55 3.41 -1.26 -4.79 113.62 112.67 2bdi n SER 179 Ca 0.01 -2.70 -0.09 0.00 -0.26 0.00 0.00 58.87 55.84 2bdi n SER 179 Cb 0.02 -0.64 -0.08 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 -2.30 0.95 0.12 4.33 0.23 -0.06 -1.42 119.30 121.15 2bdi s MET 180 Ca 0.40 -1.24 -0.18 0.00 -1.03 0.00 0.00 55.69 53.64 2bdi s MET 180 Cb 0.31 0.30 0.04 0.00 -1.53 0.00 0.00 34.83 33.95 2bdi s MET 180 CO 0.12 -0.30 0.45 -0.59 -2.03 0.00 0.00 175.02 172.67 2bdi s PHE 181 N -3.97 -0.29 0.06 3.16 -0.12 -0.22 -4.69 117.98 111.92 2bdi s PHE 181 Ca 0.16 0.04 0.02 0.00 -0.05 0.00 0.00 56.93 57.10 2bdi s PHE 181 Cb 0.06 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 2bdi s PHE 181 CO -0.03 -0.71 0.12 0.00 -0.05 0.00 0.00 175.22 174.55 2bdi s ALA 183 N -1.41 -1.35 0.00 0.00 0.00 -0.82 -1.24 121.76 116.94 2bdi s ALA 183 Ca 0.31 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2bdi s ALA 183 Cb -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.10 2bdi s ALA 183 CO 0.23 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2bdi n GLY 184 N 2.78 0.39 2.23 0.00 0.00 0.14 -2.56 105.19 108.16 2bdi n GLY 184 Ca -0.14 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2bdi n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bdi n GLY 185 N 0.00 0.63 3.71 -0.02 0.00 -1.26 -4.52 105.19 103.74 2bdi n GLY 185 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2bdi n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bdi s GLY 186 N -2.00 1.63 0.40 -0.02 0.00 -1.26 -0.09 107.32 105.99 2bdi s GLY 186 Ca 0.00 -0.93 0.21 0.00 0.00 0.00 0.00 44.72 43.99 2bdi s GLY 186 CO 0.00 -0.13 1.79 -1.61 0.00 0.00 0.00 173.10 173.14 2bdi h GLN 186 N -2.15 0.00 0.00 2.90 5.75 -1.94 -2.78 115.11 116.89 2bdi h GLN 186 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2bdi h GLN 186 Cb 1.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.83 2bdi h GLN 186 CO 0.40 0.31 0.00 -0.40 -2.65 0.00 0.00 178.83 176.49 2bdi n ASP 186 N -3.53 0.00 -3.50 -0.69 3.85 -1.26 -4.83 116.55 106.59 2bdi n ASP 186 Ca -0.00 -0.43 -0.26 0.00 -0.71 0.00 0.00 54.79 53.39 2bdi n ASP 186 Cb 0.46 -0.01 0.02 0.00 -1.35 0.00 0.00 41.12 40.24 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 -1.01 -4.56 -3.42 0.11 6.02 -1.05 -4.96 117.38 108.52 2bdi n GLN 187 Ca 0.11 0.62 -0.37 0.00 -0.01 0.00 0.00 57.00 57.34 2bdi n GLN 187 Cb 0.05 -5.43 -0.07 0.00 1.02 0.00 0.00 30.24 25.81 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 -6.18 4.28 0.10 -1.09 1.02 -1.26 -4.42 119.74 112.18 2bdi s LYS 188 Ca 0.48 0.26 -0.27 0.00 0.02 0.00 0.00 55.97 56.47 2bdi s LYS 188 Cb -0.24 -3.45 0.08 0.00 -0.52 0.00 0.00 37.83 33.70 2bdi s LYS 188 CO 0.60 0.15 1.08 0.34 -0.92 0.00 0.00 175.35 176.60 2bdi s ASP 189 N 0.64 -0.13 0.75 2.83 2.15 -1.02 -4.19 116.67 117.71 2bdi s ASP 189 Ca 0.21 -0.32 -0.00 0.00 0.43 0.00 0.00 52.55 52.87 2bdi s ASP 189 Cb -0.14 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.85 2bdi s ASP 189 CO 0.07 -0.69 0.01 -1.20 -0.17 0.00 0.00 175.17 173.19 2bdi n SER 190 N -0.50 0.01 -3.84 -0.34 7.64 -1.26 0.92 113.62 116.24 2bdi n SER 190 Ca -0.07 -1.01 0.03 0.00 1.01 0.00 0.00 58.87 58.83 2bdi n SER 190 Cb 0.61 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.82 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 -1.05 2.23 0.00 0.00 4.13 -1.26 -0.91 115.26 118.40 2bdi n ASN 192 Ca 0.04 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.40 2bdi n ASN 192 Cb 0.59 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.56 2bdi n ASN 192 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bdi n GLY 193 N 2.99 0.36 0.72 7.41 0.00 -1.26 -0.46 105.19 114.94 2bdi n GLY 193 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 2.59 -4.66 1.61 8.00 -0.09 -3.41 116.55 120.59 2bdi n ASP 194 Ca 0.00 -1.75 -0.43 0.00 0.71 0.00 0.00 54.79 53.31 2bdi n ASP 194 Cb 0.00 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.93 2.33 0.00 -2.24 7.64 -1.26 -0.30 113.62 120.71 2bdi n SER 195 Ca 0.11 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.18 2bdi n SER 195 Cb 0.43 -1.42 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 1.10 2.08 3.62 0.23 0.00 0.17 -1.74 105.19 110.66 2bdi n GLY 196 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2bdi n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bdi s GLY 197 N -2.00 1.62 0.26 -0.02 0.00 0.59 -3.65 107.32 104.13 2bdi s GLY 197 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 44.72 44.77 2bdi s GLY 197 CO 0.00 0.72 0.64 2.56 0.00 0.00 0.00 173.10 177.02 2bdi s PRO 198 N -4.66 3.93 -0.25 2.90 0.04 -1.26 -0.48 135.00 135.22 2bdi s PRO 198 Ca 0.66 0.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 2bdi s PRO 198 Cb -0.22 -2.59 0.07 0.00 0.04 0.00 0.00 34.50 31.80 2bdi s PRO 198 CO 0.60 0.27 0.03 -1.17 0.04 0.00 0.00 177.00 176.76 2bdi s LEU 199 N -2.77 2.04 -0.10 -3.56 2.96 -0.34 -3.28 118.68 113.64 2bdi s LEU 199 Ca 0.49 -1.22 -0.11 0.00 -0.22 0.00 0.00 54.13 53.08 2bdi s LEU 199 Cb -0.11 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 2bdi s LEU 199 CO 0.19 -0.32 0.25 -0.63 -1.32 0.00 0.00 176.35 174.52 2bdi s ILE 200 N 1.61 5.32 -0.24 6.68 -1.09 0.76 0.60 121.20 134.84 2bdi s ILE 200 Ca 0.01 0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 58.88 2bdi s ILE 200 Cb -0.18 -3.54 0.07 0.00 -1.58 0.00 0.00 42.46 37.23 2bdi s ILE 200 CO -0.13 0.56 0.02 0.00 -1.23 0.00 0.00 174.94 174.16 2bdi n ASN 202 N 4.85 -2.35 -0.08 0.00 5.03 -1.26 -1.92 115.26 119.54 2bdi n ASN 202 Ca -0.08 -0.66 -0.01 0.00 0.87 0.00 0.00 54.58 54.70 2bdi n ASN 202 Cb 0.45 -4.85 -0.00 0.00 -1.02 0.00 0.00 39.78 34.36 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 -1.33 0.23 3.61 7.41 0.00 -1.26 -5.00 105.19 108.85 2bdi n GLY 203 Ca -0.25 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.36 2.65 -0.46 1.61 1.51 -0.81 -4.73 117.35 115.77 2bdi s TYR 208 Ca 0.00 -0.22 -0.28 0.00 -1.01 0.00 0.00 57.07 55.56 2bdi s TYR 208 Cb 0.00 -1.22 0.03 0.00 -0.11 0.00 0.00 41.96 40.66 2bdi s TYR 208 CO 0.00 0.59 1.05 -1.17 -1.11 0.00 0.00 175.55 174.91 2bdi s LEU 209 N -3.34 3.79 -0.20 -1.29 2.96 0.33 0.36 118.68 121.29 2bdi s LEU 209 Ca 0.29 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.58 2bdi s LEU 209 Cb -0.07 -3.42 -0.21 0.00 0.50 0.00 0.00 46.19 42.99 2bdi s LEU 209 CO 0.18 -1.14 0.03 1.67 -1.32 0.00 0.00 176.35 175.77 2bdi n GLN 210 N 7.50 0.70 -3.61 1.98 -0.06 0.20 0.18 117.38 124.26 2bdi n GLN 210 Ca 0.10 0.20 -0.10 0.00 -2.00 0.00 0.00 57.00 55.20 2bdi n GLN 210 Cb 0.49 -1.60 0.01 0.00 -4.06 0.00 0.00 30.24 25.07 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 2.14 1.43 3.22 1.69 0.00 -0.72 -3.00 105.19 109.96 2bdi n GLY 211 Ca -0.40 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 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 2.04 -0.13 0.99 1.43 -1.22 -1.19 118.68 120.60 2bdi s LEU 212 Ca 0.18 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 2bdi s LEU 212 Cb -0.03 -1.09 -0.07 0.00 0.03 0.00 0.00 46.19 45.03 2bdi s LEU 212 CO 0.14 0.26 2.12 0.52 0.23 0.00 0.00 176.35 179.61 2bdi n VAL 213 N 2.58 0.50 0.00 -1.59 0.31 0.36 -1.24 118.33 119.26 2bdi n VAL 213 Ca -0.15 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2bdi n VAL 213 Cb 0.53 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 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 9.87 0.00 -2.51 4.52 2.88 -1.00 0.44 113.62 127.82 2bdi n SER 214 Ca 0.27 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.72 2bdi n SER 214 Cb 0.41 -0.28 0.01 0.00 -0.75 0.00 0.00 64.21 63.61 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 -2.28 -1.96 0.00 0.66 1.16 -1.10 -4.89 117.46 109.05 2bdi n PHE 215 Ca 0.00 -1.63 0.00 0.00 -1.87 0.00 0.00 57.45 53.95 2bdi n PHE 215 Cb 0.00 0.70 0.00 0.00 -1.61 0.00 0.00 39.48 38.57 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 -0.45 0.85 3.70 4.97 0.00 -1.26 0.61 105.19 113.62 2bdi n GLY 216 Ca -0.06 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 2bdi n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bdi s LYS 217 N -2.00 1.59 0.08 1.61 1.02 -1.26 -5.01 119.74 115.77 2bdi s LYS 217 Ca 0.00 1.58 0.08 0.00 0.02 0.00 0.00 55.97 57.65 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 -2.21 -0.20 0.00 -0.92 0.00 0.00 175.35 172.01 2bdi s ALA 218 N -2.43 1.74 1.11 5.17 0.00 -1.26 -3.99 121.76 122.10 2bdi s ALA 218 Ca 0.69 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 2bdi s ALA 218 Cb -0.24 -0.27 0.24 0.00 0.00 0.00 0.00 23.12 22.85 2bdi s ALA 218 CO 0.53 0.36 1.08 -1.25 0.00 0.00 0.00 175.76 176.48 2bdi s PRO 219 N -1.62 -0.45 0.75 0.00 0.04 -1.26 -5.12 135.00 127.34 2bdi s PRO 219 Ca 0.06 0.32 -0.10 0.00 0.04 0.00 0.00 61.00 61.33 2bdi s PRO 219 Cb -0.09 -1.65 0.06 0.00 0.04 0.00 0.00 34.50 32.86 2bdi s PRO 219 CO 0.03 -3.28 1.10 0.00 0.04 0.00 0.00 177.00 174.89 2bdi n GLY 220 N -3.11 -0.31 3.79 0.00 0.00 -1.26 -5.01 105.19 99.29 2bdi n GLY 220 Ca 0.08 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.88 4.43 0.22 1.61 -0.21 -1.26 -4.61 119.66 114.96 2bdi s GLN 221 Ca 0.02 1.05 -0.30 0.00 0.02 0.00 0.00 55.36 56.15 2bdi s GLN 221 Cb -0.01 -3.01 -0.10 0.00 1.00 0.00 0.00 33.01 30.89 2bdi s GLN 221 CO 0.02 0.44 1.42 0.08 -2.12 0.00 0.00 175.29 175.14 2bdi s VAL 222 N -1.39 2.82 0.00 1.09 1.01 -1.26 -1.96 120.40 120.70 2bdi s VAL 222 Ca 0.41 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.06 2bdi s VAL 222 Cb -0.19 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2bdi s VAL 222 CO 0.23 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2bdi n GLY 223 N 2.50 0.77 2.74 4.51 0.00 0.87 -4.94 105.19 111.64 2bdi n GLY 223 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2bdi n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bdi s VAL 224 N -3.05 1.46 0.93 1.61 1.01 -0.83 -5.02 120.40 116.51 2bdi s VAL 224 Ca 0.00 -2.46 -0.12 0.00 0.00 0.00 0.00 61.98 59.40 2bdi s VAL 224 Cb 0.00 -2.03 0.15 0.00 0.00 0.00 0.00 36.38 34.50 2bdi s VAL 224 CO 0.00 -0.85 1.09 -2.16 0.00 0.00 0.00 175.10 173.18 2bdi s PRO 225 N 0.48 1.01 0.34 2.72 0.04 -1.26 -4.31 135.00 134.02 2bdi s PRO 225 Ca 0.16 0.78 -0.00 0.00 0.04 0.00 0.00 61.00 61.98 2bdi s PRO 225 Cb -0.24 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2bdi s PRO 225 CO -0.03 -2.40 0.55 0.20 0.04 0.00 0.00 177.00 175.36 2bdi s GLY 226 N -3.38 1.42 -0.07 0.56 0.00 -1.06 -4.65 107.32 100.14 2bdi s GLY 226 Ca 0.64 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 44.48 2bdi s GLY 226 CO 0.57 -0.79 0.06 0.14 0.00 0.00 0.00 173.10 173.08 2bdi s VAL 227 N -2.28 4.72 0.04 1.40 1.01 0.20 -1.94 120.40 123.55 2bdi s VAL 227 Ca 0.40 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.25 2bdi s VAL 227 Cb -0.10 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2bdi s VAL 227 CO 0.35 0.54 -0.11 -0.31 0.00 0.00 0.00 175.10 175.58 2bdi s TYR 228 N -1.00 0.92 0.12 5.22 1.51 0.70 -2.37 117.35 122.45 2bdi s TYR 228 Ca 0.16 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.52 2bdi s TYR 228 Cb -0.12 -0.54 -0.08 0.00 -0.11 0.00 0.00 41.96 41.11 2bdi s TYR 228 CO 0.06 -0.01 1.43 0.99 -1.11 0.00 0.00 175.55 176.91 2bdi s THR 229 N -1.04 3.18 -1.27 -0.71 2.01 -0.37 -1.06 115.64 116.39 2bdi s THR 229 Ca -0.03 0.83 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 2bdi s THR 229 Cb -0.08 -3.53 0.12 0.00 0.01 0.00 0.00 72.50 69.01 2bdi s THR 229 CO 0.01 0.06 1.63 -3.20 -0.69 0.00 0.00 174.62 172.43 2bdi n ASN 230 N 4.09 5.03 -0.13 3.53 5.15 -0.51 -3.39 115.26 129.03 2bdi n ASN 230 Ca 0.12 -2.95 0.20 0.00 -0.60 0.00 0.00 54.58 51.35 2bdi n ASN 230 Cb 0.42 -1.66 0.61 0.00 -0.53 0.00 0.00 39.78 38.61 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 11.08 0.19 -1.69 1.20 3.38 -1.85 0.27 115.31 127.89 2bdi h LEU 231 Ca 0.40 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2bdi h LEU 231 Cb 0.85 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2bdi h LEU 231 CO 1.39 0.09 0.33 0.00 0.09 0.00 0.00 178.44 180.34 2bdi n LYS 233 N -2.68 0.10 -0.28 0.00 4.76 0.96 -4.25 118.16 116.77 2bdi n LYS 233 Ca -0.02 0.01 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 2bdi n LYS 233 Cb 0.37 -1.55 0.17 0.00 -1.84 0.00 0.00 35.03 32.19 2bdi n LYS 233 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2bdi n PHE 234 N -1.68 0.12 0.30 2.13 3.72 0.18 -4.80 117.46 117.43 2bdi n PHE 234 Ca 0.04 -1.16 -0.17 0.00 -0.05 0.00 0.00 57.45 56.11 2bdi n PHE 234 Cb 0.37 -0.21 -0.09 0.00 -0.94 0.00 0.00 39.48 38.62 2bdi n PHE 234 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2bdi h THR 235 N 0.46 0.16 -0.72 4.37 1.35 -1.73 0.32 112.91 117.12 2bdi h THR 235 Ca 0.01 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.01 2bdi h THR 235 Cb 1.07 0.16 -0.10 0.00 -1.73 0.00 0.00 68.15 67.55 2bdi h THR 235 CO 0.04 0.00 0.23 -0.08 -0.25 0.00 0.00 175.52 175.46 2bdi h GLU 236 N -0.92 0.35 -0.10 4.72 4.81 -1.93 0.14 114.58 121.65 2bdi h GLU 236 Ca -0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2bdi h GLU 236 Cb 0.78 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 2bdi h GLU 236 CO -0.01 0.23 0.03 2.35 -0.73 0.00 0.00 179.01 180.88 2bdi h TRP 237 N 0.36 0.17 -0.82 0.92 7.01 -1.81 -0.78 115.95 121.00 2bdi h TRP 237 Ca 0.40 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.50 2bdi h TRP 237 Cb 0.63 -0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.58 2bdi h TRP 237 CO -0.21 0.33 0.53 0.82 -2.79 0.00 0.00 178.44 177.13 2bdi h ILE 238 N -0.04 0.88 0.34 2.65 2.04 0.77 -2.10 117.51 122.05 2bdi h ILE 238 Ca 0.03 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2bdi h ILE 238 Cb 0.24 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2bdi h ILE 238 CO 0.00 0.12 -0.16 -0.08 0.00 0.00 0.00 178.15 178.03 2bdi h GLU 239 N 0.65 -0.44 -0.47 2.37 4.57 -0.32 -1.62 114.58 119.33 2bdi h GLU 239 Ca 0.40 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.74 2bdi h GLU 239 Cb 0.62 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 2bdi h GLU 239 CO -0.16 -0.29 0.69 -0.22 -1.18 0.00 0.00 179.01 177.85 2bdi h LYS 240 N -0.90 0.00 0.00 1.92 3.64 -1.03 -0.20 116.57 119.99 2bdi h LYS 240 Ca -0.05 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2bdi h LYS 240 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2bdi h LYS 240 CO 0.08 0.00 -0.57 1.15 -2.27 0.00 0.00 179.45 177.83 2bdi h THR 241 N 0.00 0.40 -0.67 1.00 2.02 -1.37 -3.18 112.91 111.12 2bdi h THR 241 Ca 0.22 -1.43 0.08 0.00 0.77 0.00 0.00 66.41 66.05 2bdi h THR 241 Cb 1.60 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 68.83 2bdi h THR 241 CO -0.00 0.14 0.33 0.58 0.37 0.00 0.00 175.52 176.94 2bdi h VAL 242 N -1.00 0.89 0.00 3.16 2.07 -0.37 -3.36 116.25 117.63 2bdi h VAL 242 Ca -0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2bdi h VAL 242 Cb 0.67 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2bdi h VAL 242 CO -0.06 0.11 0.00 1.67 0.02 0.00 0.00 177.57 179.31 2bdi n GLN 243 N -4.86 0.00 0.00 1.57 -0.06 -0.18 -5.09 117.38 108.76 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 0.23 -0.04 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