#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 4.65 -1.27 1.39 -1.09 0.17 -4.05 121.20 121.01 2bdi s ILE 17 Ca 0.00 -0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.31 2bdi s ILE 17 Cb 0.00 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 2bdi s ILE 17 CO 0.00 0.39 1.06 0.59 -1.23 0.00 0.00 174.94 175.76 2bdi n ASN 18 N 4.22 -3.69 -0.36 3.58 5.03 -1.26 -2.33 115.26 120.44 2bdi n ASN 18 Ca -0.16 -0.60 0.00 0.00 0.87 0.00 0.00 54.58 54.69 2bdi n ASN 18 Cb 0.52 -5.05 0.00 0.00 -1.02 0.00 0.00 39.78 34.23 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 -1.48 6.64 3.29 7.41 0.00 -1.26 -4.81 105.19 114.97 2bdi n GLY 19 Ca -0.17 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 43.69 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 0.64 1.12 0.06 1.61 2.02 -0.97 -4.95 118.70 118.23 2bdi s GLU 20 Ca 0.00 -1.30 -0.34 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 -0.39 1.73 -0.25 0.02 0.00 0.00 175.26 176.37 2bdi n ASP 21 N -0.20 3.33 -3.30 -0.19 9.92 -1.26 -1.03 116.55 123.82 2bdi n ASP 21 Ca -0.05 1.03 -0.23 0.00 -0.53 0.00 0.00 54.79 55.01 2bdi n ASP 21 Cb 0.63 -1.42 0.19 0.00 -0.64 0.00 0.00 41.12 39.89 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 -3.76 6.95 -0.43 0.00 0.15 -1.26 -4.88 113.70 110.48 2bdi s SER 23 Ca 0.54 1.14 -0.40 0.00 0.70 0.00 0.00 55.95 57.93 2bdi s SER 23 Cb -0.05 -2.51 -0.17 0.00 -1.71 0.00 0.00 66.02 61.58 2bdi s SER 23 CO 0.41 -0.70 1.41 -2.65 1.20 0.00 0.00 173.24 172.92 2bdi n PRO 24 N 6.40 0.00 -1.63 5.44 -0.02 -1.26 0.64 135.00 144.57 2bdi n PRO 24 Ca 0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 2bdi n PRO 24 Cb 0.47 -1.29 -0.04 0.00 -0.02 0.00 0.00 33.50 32.61 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 3.63 -0.18 0.58 6.00 8.25 -1.26 -4.89 115.22 127.35 2bdi n HIS 25 Ca 0.28 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.86 2bdi n HIS 25 Cb -0.05 -2.46 0.45 0.00 1.12 0.00 0.00 29.99 29.05 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 -0.16 0.65 -3.35 0.41 3.41 0.21 -3.97 113.62 110.81 2bdi n SER 26 Ca -0.13 0.59 -0.26 0.00 -0.26 0.00 0.00 58.87 58.81 2bdi n SER 26 Cb 0.48 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.59 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 -2.14 1.67 0.03 4.33 1.13 -1.26 -4.96 117.38 116.18 2bdi n GLN 27 Ca 0.04 -4.02 0.03 0.00 -1.94 0.00 0.00 57.00 51.11 2bdi n GLN 27 Cb 0.34 -1.82 0.16 0.00 0.11 0.00 0.00 30.24 29.03 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 1.21 0.03 0.00 -1.09 -0.04 -1.25 -1.66 135.00 132.20 2bdi n PRO 28 Ca 0.26 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.33 2bdi n PRO 28 Cb 0.46 -1.59 0.33 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.66 0.00 -1.96 0.54 2.14 -1.04 -2.26 117.44 113.20 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 0.04 -0.20 -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 -2.77 4.21 -0.15 -2.67 2.00 -0.67 -1.13 119.66 118.48 2bdi s GLN 30 Ca 0.17 2.31 -0.01 0.00 -2.00 0.00 0.00 55.36 55.83 2bdi s GLN 30 Cb 0.18 -3.46 -0.01 0.00 0.80 0.00 0.00 33.01 30.52 2bdi s GLN 30 CO 0.61 -0.68 -0.12 0.00 -0.50 0.00 0.00 175.29 174.61 2bdi s ALA 31 N 2.15 2.63 -0.11 1.58 0.00 0.05 -4.32 121.76 123.75 2bdi s ALA 31 Ca 0.72 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2bdi s ALA 31 Cb -0.40 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 2bdi s ALA 31 CO 0.32 0.04 0.26 0.00 0.00 0.00 0.00 175.76 176.38 2bdi s ALA 32 N 0.69 3.72 -0.31 0.00 0.00 -0.68 0.13 121.76 125.32 2bdi s ALA 32 Ca -0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 2bdi s ALA 32 Cb -0.15 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.76 2bdi s ALA 32 CO 0.02 0.38 0.06 -0.51 0.00 0.00 0.00 175.76 175.71 2bdi s LEU 33 N -0.45 4.01 0.06 0.00 1.02 -1.01 -0.80 118.68 121.50 2bdi s LEU 33 Ca 0.17 -1.04 0.06 0.00 0.02 0.00 0.00 54.13 53.35 2bdi s LEU 33 Cb -0.14 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 2bdi s LEU 33 CO 0.06 -0.26 -0.14 0.68 0.02 0.00 0.00 176.35 176.71 2bdi s VAL 34 N 1.39 3.10 0.00 -1.59 -7.23 -1.12 -1.64 120.40 113.31 2bdi s VAL 34 Ca -0.01 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2bdi s VAL 34 Cb -0.19 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2bdi s VAL 34 CO 0.01 0.27 0.00 0.23 -0.31 0.00 0.00 175.10 175.30 2bdi n MET 35 N 1.28 3.68 -0.26 4.82 2.81 0.69 -3.81 117.12 126.32 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 -0.26 -0.53 0.03 4.71 -1.26 -3.62 120.64 119.71 2bdi n GLU 36 Ca 0.00 0.97 -0.00 0.00 -0.01 0.00 0.00 57.16 58.11 2bdi n GLU 36 Cb 0.00 -1.42 -0.00 0.00 -1.01 0.00 0.00 31.44 29.00 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 -4.82 -0.03 -4.16 1.62 4.13 -1.26 -5.13 115.26 105.61 2bdi n ASN 37 Ca 0.02 -1.19 -0.10 0.00 1.68 0.00 0.00 54.58 54.99 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 0.82 0.06 3.52 2.12 -1.24 -5.13 118.70 118.86 2bdi s GLU 38 Ca 0.00 -1.34 -0.25 0.00 0.36 0.00 0.00 54.97 53.74 2bdi s GLU 38 Cb 0.00 -0.09 -0.06 0.00 0.26 0.00 0.00 34.13 34.25 2bdi s GLU 38 CO -0.00 -0.07 0.78 -1.17 -0.54 0.00 0.00 175.26 174.26 2bdi s LEU 40 N -3.03 4.46 0.00 2.70 1.98 -1.26 -0.23 118.68 123.30 2bdi s LEU 40 Ca 0.13 1.49 0.00 0.00 -2.89 0.00 0.00 54.13 52.86 2bdi s LEU 40 Cb 0.06 -3.27 0.00 0.00 0.66 0.00 0.00 46.19 43.65 2bdi s LEU 40 CO -0.04 0.02 0.00 2.22 -1.89 0.00 0.00 176.35 176.66 2bdi n PHE 41 N 2.73 0.00 -3.21 5.38 -1.74 -0.65 -4.94 117.46 115.03 2bdi n PHE 41 Ca -0.02 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.85 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 -1.40 0.62 0.32 0.00 0.01 -0.62 -2.40 113.70 110.24 2bdi s SER 43 Ca 0.03 -1.43 -0.11 0.00 1.31 0.00 0.00 55.95 55.75 2bdi s SER 43 Cb -0.01 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2bdi s SER 43 CO 0.02 -1.02 0.60 -0.83 0.41 0.00 0.00 173.24 172.42 2bdi s GLY 44 N -3.20 0.75 -0.07 3.44 0.00 0.12 -4.12 107.32 104.23 2bdi s GLY 44 Ca 0.36 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 44.09 2bdi s GLY 44 CO 0.17 -0.60 -0.11 0.14 0.00 0.00 0.00 173.10 172.70 2bdi s VAL 45 N -3.17 1.07 -0.56 1.40 1.01 0.23 -0.77 120.40 119.61 2bdi s VAL 45 Ca 0.22 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 2bdi s VAL 45 Cb -0.02 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 2bdi s VAL 45 CO 0.13 0.35 1.71 -0.22 0.00 0.00 0.00 175.10 177.07 2bdi s LEU 46 N 0.87 3.34 0.00 3.92 2.96 -0.28 0.06 118.68 129.54 2bdi s LEU 46 Ca -0.11 0.43 0.20 0.00 -0.22 0.00 0.00 54.13 54.43 2bdi s LEU 46 Cb -0.15 -2.82 0.35 0.00 0.50 0.00 0.00 46.19 44.07 2bdi s LEU 46 CO 0.01 -2.08 1.30 1.33 -1.32 0.00 0.00 176.35 175.59 2bdi n VAL 47 N 7.11 0.47 -3.58 1.68 0.24 -0.95 -1.41 118.33 121.90 2bdi n VAL 47 Ca 0.18 -0.74 -0.06 0.00 -2.04 0.00 0.00 64.34 61.68 2bdi n VAL 47 Cb 0.50 0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 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 -1.37 -0.20 0.37 6.34 5.65 -1.19 -4.72 115.29 120.17 2bdi s HIS 48 Ca 0.33 0.18 0.10 0.00 0.25 0.00 0.00 55.06 55.92 2bdi s HIS 48 Cb 0.19 0.51 0.86 0.00 -1.18 0.00 0.00 32.58 32.96 2bdi s HIS 48 CO 0.27 -0.28 1.89 -1.35 -0.65 0.00 0.00 174.74 174.62 2bdi h PRO 49 N 2.08 0.62 -0.16 2.88 0.11 -1.92 -2.79 132.00 132.82 2bdi h PRO 49 Ca -0.13 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 2bdi h PRO 49 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2bdi h PRO 49 CO 0.26 0.41 -0.04 0.94 -0.21 0.00 0.00 178.00 179.35 2bdi n GLN 50 N -4.53 2.08 -3.75 1.05 7.27 -1.26 -1.60 117.38 116.63 2bdi n GLN 50 Ca 0.16 -2.82 -0.15 0.00 0.07 0.00 0.00 57.00 54.27 2bdi n GLN 50 Cb 0.46 -1.70 -0.15 0.00 2.41 0.00 0.00 30.24 31.26 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 -2.93 -0.06 -0.20 3.69 0.52 -1.05 -1.41 118.94 117.50 2bdi s TRP 51 Ca 0.38 0.31 -0.03 0.00 0.02 0.00 0.00 56.10 56.79 2bdi s TRP 51 Cb 0.33 -0.18 -0.01 0.00 -1.15 0.00 0.00 33.47 32.46 2bdi s TRP 51 CO 0.04 -0.13 -0.07 0.08 0.02 0.00 0.00 176.95 176.89 2bdi s VAL 52 N 1.20 3.24 0.15 4.03 1.01 0.11 -2.24 120.40 127.90 2bdi s VAL 52 Ca -0.08 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 2bdi s VAL 52 Cb -0.12 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 33.74 2bdi s VAL 52 CO -0.04 0.46 0.70 -0.22 0.00 0.00 0.00 175.10 175.99 2bdi s LEU 53 N 1.17 4.51 0.00 3.92 2.96 0.11 -0.25 118.68 131.11 2bdi s LEU 53 Ca 0.02 1.47 -0.11 0.00 -0.22 0.00 0.00 54.13 55.30 2bdi s LEU 53 Cb -0.14 -3.25 0.04 0.00 0.50 0.00 0.00 46.19 43.34 2bdi s LEU 53 CO -0.02 0.19 0.56 -0.24 -1.32 0.00 0.00 176.35 175.52 2bdi n SER 54 N 1.41 -1.59 -4.72 3.68 2.88 0.10 0.76 113.62 116.14 2bdi n SER 54 Ca -0.06 -2.09 -0.40 0.00 -1.33 0.00 0.00 58.87 54.99 2bdi n SER 54 Cb 0.50 2.64 -0.05 0.00 -0.75 0.00 0.00 64.21 66.56 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 -1.75 3.33 0.46 -1.46 0.00 -1.26 0.52 121.76 121.60 2bdi s ALA 55 Ca 0.11 0.17 0.26 0.00 0.00 0.00 0.00 51.96 52.51 2bdi s ALA 55 Cb -0.03 -2.98 1.30 0.00 0.00 0.00 0.00 23.12 21.40 2bdi s ALA 55 CO 0.08 -0.09 1.79 0.00 0.00 0.00 0.00 175.76 177.54 2bdi h ALA 56 N 6.65 2.60 0.00 0.00 0.00 -1.62 0.41 119.26 127.29 2bdi h ALA 56 Ca -0.41 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2bdi h ALA 56 Cb 1.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2bdi h ALA 56 CO 0.75 -0.97 0.00 -2.39 0.00 0.00 0.00 179.25 176.64 2bdi n HIS 57 N -4.44 0.00 0.37 0.00 1.44 -1.26 -2.39 115.22 108.94 2bdi n HIS 57 Ca 0.25 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.01 2bdi n HIS 57 Cb 1.02 -0.09 -0.06 0.00 0.12 0.00 0.00 29.99 30.98 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 -1.36 -0.37 -4.15 0.00 7.35 -1.00 -5.03 117.46 112.89 2bdi n PHE 59 Ca 0.01 0.91 -0.13 0.00 -0.76 0.00 0.00 57.45 57.47 2bdi n PHE 59 Cb 0.18 -1.83 -0.08 0.00 0.35 0.00 0.00 39.48 38.11 2bdi n PHE 59 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2bdi s GLN 60 N -0.85 1.51 0.06 -4.13 -1.52 -1.26 -5.05 119.66 108.41 2bdi s GLN 60 Ca 0.61 -1.65 0.10 0.00 -1.95 0.00 0.00 55.36 52.48 2bdi s GLN 60 Cb -0.89 0.35 -0.20 0.00 -0.22 0.00 0.00 33.01 32.05 2bdi s GLN 60 CO 0.52 -0.57 1.01 -0.91 -0.25 0.00 0.00 175.29 175.09 2bdi h ASN 61 N 2.36 0.00 -3.97 5.90 2.35 -1.96 -3.46 115.58 116.80 2bdi h ASN 61 Ca -0.30 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.31 2bdi h ASN 61 Cb 1.24 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.37 2bdi h ASN 61 CO 0.44 0.96 -0.30 -0.94 -1.65 0.00 0.00 177.43 175.93 2bdi s SER 62 N -6.40 -0.35 0.25 5.81 1.04 -1.26 -4.60 113.70 108.20 2bdi s SER 62 Ca -0.01 0.64 0.11 0.00 0.48 0.00 0.00 55.95 57.17 2bdi s SER 62 Cb 0.09 0.67 -0.05 0.00 0.10 0.00 0.00 66.02 66.84 2bdi s SER 62 CO 0.82 -0.15 -0.15 -0.31 0.98 0.00 0.00 173.24 174.43 2bdi s TYR 63 N 0.04 2.43 -0.57 5.02 1.51 -0.33 -5.01 117.35 120.45 2bdi s TYR 63 Ca -0.01 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.79 2bdi s TYR 63 Cb -0.03 -1.10 0.14 0.00 -0.11 0.00 0.00 41.96 40.87 2bdi s TYR 63 CO 0.01 0.63 0.33 0.99 -1.11 0.00 0.00 175.55 176.41 2bdi s THR 64 N -2.23 2.48 0.08 -0.71 2.01 -1.25 -2.64 115.64 113.38 2bdi s THR 64 Ca 0.28 -3.52 -0.30 0.00 0.31 0.00 0.00 61.69 58.46 2bdi s THR 64 Cb -0.06 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2bdi s THR 64 CO 0.15 -0.89 0.96 -0.63 -0.69 0.00 0.00 174.62 173.53 2bdi s ILE 65 N -0.58 4.60 -0.25 1.82 1.01 -1.04 -2.79 121.20 123.98 2bdi s ILE 65 Ca 0.20 2.06 -0.05 0.00 0.00 0.00 0.00 60.65 62.86 2bdi s ILE 65 Cb -0.18 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 2bdi s ILE 65 CO -0.06 0.27 0.02 -0.83 0.00 0.00 0.00 174.94 174.34 2bdi s GLY 66 N 0.27 1.69 0.21 6.18 0.00 0.02 -1.64 107.32 114.05 2bdi s GLY 66 Ca 0.48 -1.24 0.07 0.00 0.00 0.00 0.00 44.72 44.03 2bdi s GLY 66 CO 0.29 0.52 0.11 1.08 0.00 0.00 0.00 173.10 175.10 2bdi s LEU 67 N 1.51 3.63 -1.63 0.66 1.43 -0.65 -1.69 118.68 121.95 2bdi s LEU 67 Ca 0.05 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2bdi s LEU 67 Cb -0.15 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2bdi s LEU 67 CO -0.00 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.22 2bdi n GLY 69 N -0.64 1.39 3.96 -3.19 0.00 -1.26 -1.61 105.19 103.84 2bdi n GLY 69 Ca -0.08 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.66 2.99 0.00 0.99 1.43 -1.26 -4.12 118.68 115.04 2bdi s LEU 70 Ca 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2bdi s LEU 70 Cb 0.00 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2bdi s LEU 70 CO 0.00 -1.57 0.00 1.57 0.23 0.00 0.00 176.35 176.58 2bdi n HIS 71 N -2.77 -0.28 -4.29 0.29 -0.00 -1.26 -4.67 115.22 102.24 2bdi n HIS 71 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.56 2bdi n HIS 71 Cb 0.60 0.12 -0.09 0.00 -0.00 0.00 0.00 29.99 30.62 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 -2.39 4.34 0.53 0.26 1.04 -1.26 -1.58 113.70 114.64 2bdi s SER 72 Ca 0.00 -0.60 0.32 0.00 0.48 0.00 0.00 55.95 56.15 2bdi s SER 72 Cb 0.00 -0.76 1.38 0.00 0.10 0.00 0.00 66.02 66.74 2bdi s SER 72 CO 0.00 0.07 2.00 -0.07 0.98 0.00 0.00 173.24 176.22 2bdi h LEU 73 N 2.62 0.00 -7.79 2.42 3.38 -1.95 -3.38 115.31 110.61 2bdi h LEU 73 Ca -0.46 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.25 2bdi h LEU 73 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2bdi h LEU 73 CO 0.56 0.07 0.80 -0.62 0.09 0.00 0.00 178.44 179.35 2bdi n GLU 74 N -3.23 0.87 -0.32 1.13 -0.58 -1.26 -4.81 120.64 112.44 2bdi n GLU 74 Ca -0.00 -1.99 0.18 0.00 -0.42 0.00 0.00 57.16 54.93 2bdi n GLU 74 Cb 0.30 -3.63 0.37 0.00 -0.57 0.00 0.00 31.44 27.91 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 10.32 1.53 -0.16 0.62 0.00 -1.95 -1.73 119.26 127.88 2bdi h ALA 74 Ca 0.16 0.24 -0.24 0.00 0.00 0.00 0.00 54.91 55.07 2bdi h ALA 74 Cb 0.91 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 2bdi h ALA 74 CO 1.28 -0.57 -0.06 -0.40 0.00 0.00 0.00 179.25 179.50 2bdi n ASP 75 N -5.24 5.65 0.00 0.00 5.75 -1.26 -2.05 116.55 119.41 2bdi n ASP 75 Ca 0.26 -2.69 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 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 1.74 0.00 -3.95 0.11 6.02 -0.65 -5.05 117.38 115.60 2bdi n GLN 76 Ca 0.35 -0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 57.03 2bdi n GLN 76 Cb 0.73 -0.12 -0.16 0.00 1.02 0.00 0.00 30.24 31.70 2bdi n GLN 76 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2bdi s GLU 77 N 0.00 1.78 0.00 -1.09 0.41 -0.87 -5.02 118.70 113.91 2bdi s GLU 77 Ca 0.00 -0.68 0.00 0.00 -0.41 0.00 0.00 54.97 53.88 2bdi s GLU 77 Cb 0.00 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 2bdi s GLU 77 CO 0.00 -0.42 0.00 -2.30 -0.49 0.00 0.00 175.26 172.05 2bdi n PRO 78 N 4.77 0.00 0.00 0.39 -0.02 -1.26 -2.84 135.00 136.04 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 -0.21 0.00 0.00 -0.02 0.00 0.00 33.50 33.74 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 -4.74 105.19 101.71 2bdi n GLY 79 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2bdi n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bdi s SER 80 N -1.50 5.40 -0.12 1.61 1.04 -1.13 -4.75 113.70 114.25 2bdi s SER 80 Ca 0.00 2.62 -0.04 0.00 0.48 0.00 0.00 55.95 59.01 2bdi s SER 80 Cb 0.00 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.55 2bdi s SER 80 CO 0.00 -1.47 0.08 -1.10 0.98 0.00 0.00 173.24 171.74 2bdi s GLN 81 N -2.94 0.01 -1.28 4.02 -0.21 -0.63 -4.99 119.66 113.63 2bdi s GLN 81 Ca 0.71 0.13 -0.13 0.00 0.02 0.00 0.00 55.36 56.09 2bdi s GLN 81 Cb -0.37 -1.24 0.13 0.00 1.00 0.00 0.00 33.01 32.54 2bdi s GLN 81 CO 0.43 -0.52 1.73 -1.33 -2.12 0.00 0.00 175.29 173.47 2bdi n MET 82 N 5.29 3.34 -1.46 2.91 2.81 -1.26 -1.64 117.12 127.12 2bdi n MET 82 Ca -0.05 -3.48 -0.30 0.00 -1.81 0.00 0.00 57.70 52.06 2bdi n MET 82 Cb 0.49 -3.13 0.21 0.00 -0.71 0.00 0.00 33.22 30.08 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 1.99 1.80 0.09 2.03 -7.23 -0.65 -4.88 120.40 113.55 2bdi s VAL 83 Ca 0.45 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.66 2bdi s VAL 83 Cb 0.04 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 2bdi s VAL 83 CO 0.01 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.08 2bdi s GLU 84 N -5.58 0.84 0.16 4.82 2.02 -1.26 -2.49 118.70 117.22 2bdi s GLU 84 Ca 0.71 -1.13 -0.22 0.00 0.02 0.00 0.00 54.97 54.36 2bdi s GLU 84 Cb -0.08 -0.57 0.06 0.00 0.10 0.00 0.00 34.13 33.64 2bdi s GLU 84 CO 0.55 0.09 0.58 0.00 0.02 0.00 0.00 175.26 176.50 2bdi s ALA 85 N -2.28 -1.47 0.00 5.21 0.00 -1.08 -0.99 121.76 121.16 2bdi s ALA 85 Ca 0.04 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.35 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 -0.77 0.00 -1.13 0.00 0.00 0.00 175.76 173.86 2bdi n SER 86 N -0.36 0.00 -4.58 0.00 3.41 -1.26 -1.18 113.62 109.64 2bdi n SER 86 Ca -0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.03 2bdi n SER 86 Cb 0.64 0.00 -0.04 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 -0.17 4.01 0.03 1.04 0.20 -1.26 -4.68 118.68 117.85 2bdi s LEU 87 Ca 0.00 0.33 0.09 0.00 0.69 0.00 0.00 54.13 55.23 2bdi s LEU 87 Cb 0.00 -3.21 -0.03 0.00 -0.43 0.00 0.00 46.19 42.52 2bdi s LEU 87 CO 0.00 -0.95 -0.25 -0.94 -0.29 0.00 0.00 176.35 173.92 2bdi s SER 88 N 2.08 3.22 -0.27 3.68 1.04 -1.26 -0.70 113.70 121.50 2bdi s SER 88 Ca 0.37 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.27 2bdi s SER 88 Cb -0.11 -0.34 0.07 0.00 0.10 0.00 0.00 66.02 65.74 2bdi s SER 88 CO 0.23 0.27 -0.02 -0.69 0.98 0.00 0.00 173.24 174.00 2bdi s VAL 89 N -0.78 1.68 0.52 5.02 1.01 0.10 -4.99 120.40 122.95 2bdi s VAL 89 Ca 0.12 -1.51 -0.17 0.00 0.00 0.00 0.00 61.98 60.42 2bdi s VAL 89 Cb -0.10 -2.01 -0.08 0.00 0.00 0.00 0.00 36.38 34.19 2bdi s VAL 89 CO 0.02 -0.25 0.99 -0.13 0.00 0.00 0.00 175.10 175.73 2bdi s ARG 90 N 1.29 3.89 0.24 2.72 0.52 -1.26 -1.40 118.95 124.94 2bdi s ARG 90 Ca -0.01 1.01 -0.30 0.00 -0.52 0.00 0.00 55.73 55.91 2bdi s ARG 90 Cb -0.19 -2.12 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 2bdi s ARG 90 CO -0.09 -0.32 1.30 -1.58 0.02 0.00 0.00 175.30 174.63 2bdi s HIS 91 N -2.54 3.22 0.24 -0.53 5.65 -0.87 -4.90 115.29 115.56 2bdi s HIS 91 Ca 0.60 1.29 -0.10 0.00 0.25 0.00 0.00 55.06 57.10 2bdi s HIS 91 Cb -0.11 -3.61 0.35 0.00 -1.18 0.00 0.00 32.58 28.04 2bdi s HIS 91 CO 0.30 -1.81 1.40 -2.30 -0.65 0.00 0.00 174.74 171.69 2bdi n PRO 92 N 2.07 -0.12 -0.23 2.88 -0.02 -1.26 -0.65 135.00 137.65 2bdi n PRO 92 Ca 0.04 1.40 0.04 0.00 -2.02 0.00 0.00 63.50 62.96 2bdi n PRO 92 Cb 0.43 -2.09 0.15 0.00 -0.02 0.00 0.00 33.50 31.96 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 -5.42 2.04 -1.62 -0.52 -0.58 -1.26 -4.97 120.64 108.30 2bdi n GLU 93 Ca 0.13 -1.16 -0.40 0.00 -0.42 0.00 0.00 57.16 55.30 2bdi n GLU 93 Cb 0.42 -1.45 0.02 0.00 -0.57 0.00 0.00 31.44 29.86 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 0.34 1.19 -1.36 -0.32 9.36 0.17 -2.02 117.16 124.51 2bdi n TYR 94 Ca 0.11 0.51 -0.13 0.00 3.32 0.00 0.00 57.90 61.70 2bdi n TYR 94 Cb 0.40 -2.22 -0.06 0.00 -0.63 0.00 0.00 39.34 36.83 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 0.11 -5.16 -3.62 2.98 2.85 0.10 -4.93 115.26 107.59 2bdi n ASN 95 Ca 0.10 0.33 -0.29 0.00 -0.11 0.00 0.00 54.58 54.61 2bdi n ASN 95 Cb 0.42 -4.11 -0.15 0.00 1.24 0.00 0.00 39.78 37.18 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 -3.08 0.47 0.97 1.20 1.81 -0.86 -2.75 118.95 116.73 2bdi s ARG 96 Ca 0.00 -0.87 -0.12 0.00 -1.72 0.00 0.00 55.73 53.02 2bdi s ARG 96 Cb 0.00 -1.56 0.17 0.00 -0.45 0.00 0.00 34.95 33.12 2bdi s ARG 96 CO 0.00 -1.03 1.09 -2.14 -0.68 0.00 0.00 175.30 172.55 2bdi s PRO 97 N 1.75 0.62 -0.06 3.54 0.02 -1.26 -4.87 135.00 134.75 2bdi s PRO 97 Ca 0.10 0.61 -0.40 0.00 0.02 0.00 0.00 61.00 61.33 2bdi s PRO 97 Cb -0.17 -1.75 -0.18 0.00 0.02 0.00 0.00 34.50 32.41 2bdi s PRO 97 CO -0.28 -2.63 1.29 -0.11 -0.33 0.00 0.00 177.00 174.95 2bdi n LEU 98 N -4.12 0.95 0.00 -5.54 7.94 -1.11 -0.20 117.00 114.92 2bdi n LEU 98 Ca 0.06 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 2bdi n LEU 98 Cb 0.57 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.48 2bdi n LEU 98 CO 0.57 -1.34 0.00 0.18 -1.11 0.00 0.00 177.39 175.69 2bdi n LEU 99 N 2.54 0.00 -4.85 -1.96 4.77 -1.26 -4.95 117.00 111.29 2bdi n LEU 99 Ca 0.21 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.90 2bdi n LEU 99 Cb 0.11 -0.08 0.12 0.00 -2.33 0.00 0.00 43.42 41.23 2bdi n LEU 99 CO 0.67 0.00 0.76 0.00 -1.33 0.00 0.00 177.39 177.49 2bdi s ALA 100 N -2.13 2.24 -1.53 -1.18 0.00 0.72 -4.19 121.76 115.69 2bdi s ALA 100 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 2bdi s ALA 100 Cb 0.00 -2.98 0.05 0.00 0.00 0.00 0.00 23.12 20.19 2bdi s ALA 100 CO 0.00 -2.00 0.42 0.09 0.00 0.00 0.00 175.76 174.27 2bdi n ASN 101 N -3.55 -0.81 -2.54 0.00 4.13 -1.26 -0.72 115.26 110.51 2bdi n ASN 101 Ca 0.08 -1.08 -0.23 0.00 1.68 0.00 0.00 54.58 55.03 2bdi n ASN 101 Cb 0.60 -2.58 -0.11 0.00 -1.54 0.00 0.00 39.78 36.14 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 6.68 -4.27 6.41 2.03 -1.26 -4.19 116.55 119.09 2bdi n ASP 102 Ca -0.20 -2.52 -0.23 0.00 0.52 0.00 0.00 54.79 52.36 2bdi n ASP 102 Cb 0.63 -1.48 -0.12 0.00 -0.72 0.00 0.00 41.12 39.43 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 0.07 2.32 -0.13 -2.67 2.34 -1.26 -2.61 118.68 116.73 2bdi s LEU 103 Ca 0.68 -0.70 -0.08 0.00 0.06 0.00 0.00 54.13 54.09 2bdi s LEU 103 Cb 0.26 -0.82 0.05 0.00 -0.56 0.00 0.00 46.19 45.12 2bdi s LEU 103 CO -0.02 0.02 0.33 -0.32 -1.06 0.00 0.00 176.35 175.30 2bdi s MET 104 N -2.01 0.32 -0.18 1.48 1.75 0.18 -2.04 119.30 118.81 2bdi s MET 104 Ca 0.06 0.60 -0.16 0.00 -1.25 0.00 0.00 55.69 54.94 2bdi s MET 104 Cb -0.09 0.00 -0.04 0.00 2.84 0.00 0.00 34.83 37.54 2bdi s MET 104 CO 0.04 -0.13 0.39 -0.51 -0.65 0.00 0.00 175.02 174.17 2bdi s LEU 105 N 0.99 4.18 -0.24 4.11 1.43 -0.49 -0.72 118.68 127.94 2bdi s LEU 105 Ca -0.07 0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 53.51 2bdi s LEU 105 Cb -0.07 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 2bdi s LEU 105 CO -0.07 -0.04 0.07 -0.63 0.23 0.00 0.00 176.35 175.90 2bdi s ILE 106 N 1.11 4.40 -0.26 -0.59 1.01 0.66 0.00 121.20 127.53 2bdi s ILE 106 Ca 0.20 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.52 2bdi s ILE 106 Cb -0.15 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 2bdi s ILE 106 CO 0.08 0.36 0.50 -0.75 0.00 0.00 0.00 174.94 175.13 2bdi s LYS 107 N 1.36 4.07 0.42 2.79 2.20 0.13 -0.71 119.74 130.00 2bdi s LYS 107 Ca 0.05 0.30 -0.23 0.00 -0.36 0.00 0.00 55.97 55.73 2bdi s LYS 107 Cb -0.15 -3.65 -0.09 0.00 -1.51 0.00 0.00 37.83 32.44 2bdi s LYS 107 CO 0.04 -0.34 1.07 -0.51 -0.36 0.00 0.00 175.35 175.25 2bdi s LEU 108 N 2.26 4.08 0.07 5.43 1.43 -0.50 -4.04 118.68 127.40 2bdi s LEU 108 Ca 0.21 2.09 -0.37 0.00 -1.03 0.00 0.00 54.13 55.03 2bdi s LEU 108 Cb -0.16 -4.24 -0.20 0.00 0.03 0.00 0.00 46.19 41.62 2bdi s LEU 108 CO 0.09 -0.62 1.58 0.44 0.23 0.00 0.00 176.35 178.07 2bdi h ASP 109 N 2.29 -1.14 -3.38 2.29 3.45 -1.41 -3.40 116.42 115.12 2bdi h ASP 109 Ca -0.49 0.05 -0.65 0.00 0.43 0.00 0.00 57.03 56.37 2bdi h ASP 109 Cb 1.22 0.31 -0.26 0.00 -0.56 0.00 0.00 39.33 40.04 2bdi h ASP 109 CO 0.61 -0.76 -0.72 -0.70 -1.57 0.00 0.00 179.24 176.11 2bdi s GLU 110 N -5.98 3.44 0.26 3.56 2.12 -1.26 -5.09 118.70 115.75 2bdi s GLU 110 Ca -0.19 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.23 2bdi s GLU 110 Cb 0.03 -2.95 -0.14 0.00 0.26 0.00 0.00 34.13 31.32 2bdi s GLU 110 CO 0.60 -0.06 1.12 0.45 -0.54 0.00 0.00 175.26 176.83 2bdi n SER 111 N 4.40 1.62 -4.95 -1.70 2.88 -1.26 -4.96 113.62 109.66 2bdi n SER 111 Ca -0.18 1.17 -0.23 0.00 -1.33 0.00 0.00 58.87 58.30 2bdi n SER 111 Cb 0.51 -1.31 -0.00 0.00 -0.75 0.00 0.00 64.21 62.66 2bdi n SER 111 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2bdi s VAL 112 N -0.76 4.61 -0.32 2.46 -7.23 -0.63 -4.97 120.40 113.56 2bdi s VAL 112 Ca 0.62 -0.56 -0.10 0.00 -1.81 0.00 0.00 61.98 60.13 2bdi s VAL 112 Cb -0.71 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 32.55 2bdi s VAL 112 CO 0.57 -0.42 0.16 -0.44 -0.31 0.00 0.00 175.10 174.66 2bdi s SER 113 N -4.11 5.59 -0.63 4.85 0.01 -1.26 -4.82 113.70 113.33 2bdi s SER 113 Ca 0.43 -0.57 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 2bdi s SER 113 Cb -0.10 -2.01 -0.13 0.00 0.21 0.00 0.00 66.02 63.99 2bdi s SER 113 CO 0.36 -0.22 2.46 -0.62 0.41 0.00 0.00 173.24 175.63 2bdi n GLU 114 N 4.99 0.69 -0.21 12.44 1.02 -1.26 -4.90 120.64 133.41 2bdi n GLU 114 Ca -0.14 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2bdi n GLU 114 Cb 0.49 -2.54 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 12.60 0.00 -0.01 1.62 3.41 -0.47 -4.93 113.62 125.84 2bdi n SER 115 Ca 0.48 -0.29 -0.17 0.00 -0.26 0.00 0.00 58.87 58.63 2bdi n SER 115 Cb 0.29 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 2bdi n SER 115 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2bdi h ASP 116 N 0.00 0.92 -0.47 4.04 -0.00 -1.95 -3.24 116.42 115.72 2bdi h ASP 116 Ca 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 57.03 56.42 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 1.41 0.00 0.35 -0.00 0.00 0.00 179.24 181.00 2bdi n THR 117 N -3.92 0.78 -3.56 2.25 -2.24 -1.26 -4.81 114.28 101.52 2bdi n THR 117 Ca -0.08 -0.89 -0.29 0.00 -2.27 0.00 0.00 64.05 60.52 2bdi n THR 117 Cb 0.76 0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.13 0.41 0.13 2.28 1.01 -1.22 -4.06 121.20 118.63 2bdi s ILE 118 Ca 0.36 -1.62 0.07 0.00 0.00 0.00 0.00 60.65 59.46 2bdi s ILE 118 Cb 0.19 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2bdi s ILE 118 CO 0.26 -0.88 -0.17 -0.60 0.00 0.00 0.00 174.94 173.56 2bdi s ARG 119 N 1.23 1.12 0.41 2.79 3.52 -0.96 -1.37 118.95 125.70 2bdi s ARG 119 Ca 0.15 -1.28 -0.01 0.00 -0.13 0.00 0.00 55.73 54.46 2bdi s ARG 119 Cb -0.21 -1.12 -0.03 0.00 -1.56 0.00 0.00 34.95 32.03 2bdi s ARG 119 CO -0.11 0.23 0.65 -1.54 -0.81 0.00 0.00 175.30 173.73 2bdi s SER 120 N -2.43 6.17 0.19 -2.12 1.04 -1.26 -2.51 113.70 112.78 2bdi s SER 120 Ca 0.11 0.56 0.09 0.00 0.48 0.00 0.00 55.95 57.19 2bdi s SER 120 Cb -0.06 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 2bdi s SER 120 CO 0.04 -0.48 -0.19 -0.51 0.98 0.00 0.00 173.24 173.09 2bdi s ILE 121 N -2.51 1.97 0.11 -1.02 2.07 -0.50 -4.91 121.20 116.41 2bdi s ILE 121 Ca 0.44 -2.04 0.02 0.00 -1.41 0.00 0.00 60.65 57.66 2bdi s ILE 121 Cb -0.10 -1.97 -0.04 0.00 0.13 0.00 0.00 42.46 40.48 2bdi s ILE 121 CO 0.39 -0.34 0.24 -0.94 -1.91 0.00 0.00 174.94 172.38 2bdi s SER 122 N -2.86 6.29 -0.08 4.50 1.04 -1.26 -4.48 113.70 116.85 2bdi s SER 122 Ca 0.19 0.20 -0.22 0.00 0.48 0.00 0.00 55.95 56.60 2bdi s SER 122 Cb -0.05 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.13 2bdi s SER 122 CO 0.08 0.11 0.63 -0.63 0.98 0.00 0.00 173.24 174.41 2bdi s ILE 123 N -1.63 5.08 0.28 -1.02 1.01 -1.26 -0.60 121.20 123.06 2bdi s ILE 123 Ca 0.34 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 61.99 2bdi s ILE 123 Cb -0.12 -3.97 -0.13 0.00 0.01 0.00 0.00 42.46 38.25 2bdi s ILE 123 CO 0.28 0.28 1.41 0.00 0.00 0.00 0.00 174.94 176.91 2bdi n ALA 124 N 3.70 1.45 0.35 9.38 0.00 0.73 -4.81 120.51 131.30 2bdi n ALA 124 Ca -0.03 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 -0.12 0.00 0.00 0.00 0.00 19.45 17.54 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 1.69 0.40 -4.92 0.00 3.41 -1.26 -4.12 113.62 108.83 2bdi n SER 125 Ca 0.09 -0.29 -0.27 0.00 -0.26 0.00 0.00 58.87 58.14 2bdi n SER 125 Cb 0.34 1.48 -0.03 0.00 -0.26 0.00 0.00 64.21 65.74 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 -3.32 3.57 0.54 4.33 0.74 -1.26 -4.90 119.66 119.35 2bdi s GLN 127 Ca -0.02 -0.13 -0.04 0.00 0.05 0.00 0.00 55.36 55.23 2bdi s GLN 127 Cb 0.14 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.58 2bdi s GLN 127 CO 0.88 0.21 0.81 0.00 -0.55 0.00 0.00 175.29 176.64 2bdi n PRO 129 N -2.39 1.65 -4.78 0.00 -0.02 -1.26 -5.02 135.00 123.18 2bdi n PRO 129 Ca 0.03 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 2bdi n PRO 129 Cb 0.57 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.14 3.15 0.34 3.45 -4.23 -1.26 -5.08 115.64 110.87 2bdi s THR 130 Ca 0.59 -0.65 -0.28 0.00 -1.18 0.00 0.00 61.69 60.17 2bdi s THR 130 Cb -0.60 -2.30 -0.12 0.00 1.34 0.00 0.00 72.50 70.82 2bdi s THR 130 CO 0.60 0.54 1.37 0.00 -0.54 0.00 0.00 174.62 176.59 2bdi n ALA 132 N 3.13 1.65 0.00 3.99 0.00 -1.26 -2.21 120.51 125.81 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 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 0.86 2.74 3.70 0.00 0.00 0.13 -4.91 105.19 107.71 2bdi n GLY 133 Ca 0.04 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 0.50 3.12 -4.76 1.61 2.85 -0.94 -4.51 115.26 113.13 2bdi n ASN 134 Ca 0.00 1.16 -0.36 0.00 -0.11 0.00 0.00 54.58 55.27 2bdi n ASN 134 Cb 0.00 -1.49 -0.07 0.00 1.24 0.00 0.00 39.78 39.46 2bdi n ASN 134 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2bdi s SER 135 N 0.24 6.35 0.30 1.20 0.15 -1.26 -0.40 113.70 120.27 2bdi s SER 135 Ca 0.64 0.41 0.03 0.00 0.70 0.00 0.00 55.95 57.73 2bdi s SER 135 Cb -0.58 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 2bdi s SER 135 CO 0.52 0.21 0.08 0.00 1.20 0.00 0.00 173.24 175.25 2bdi s LEU 137 N -3.41 2.29 0.04 0.00 2.96 -0.27 -1.10 118.68 119.17 2bdi s LEU 137 Ca 0.36 -0.69 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2bdi s LEU 137 Cb 0.08 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 2bdi s LEU 137 CO 0.15 0.15 -0.06 0.54 -1.32 0.00 0.00 176.35 175.81 2bdi s VAL 138 N -1.05 0.37 0.05 1.68 0.11 -0.30 -0.24 120.40 121.03 2bdi s VAL 138 Ca 0.11 -1.07 -0.05 0.00 -2.93 0.00 0.00 61.98 58.05 2bdi s VAL 138 Cb -0.10 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2bdi s VAL 138 CO 0.05 -0.46 0.07 -0.94 -3.33 0.00 0.00 175.10 170.49 2bdi s SER 139 N -1.62 0.25 0.00 3.54 1.04 -1.21 -1.13 113.70 114.56 2bdi s SER 139 Ca -0.11 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2bdi s SER 139 Cb -0.09 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2bdi s SER 139 CO -0.01 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2bdi n GLY 140 N 0.55 0.33 1.47 7.32 0.00 -0.58 -4.24 105.19 110.04 2bdi n GLY 140 Ca -0.18 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.42 1.58 -1.10 1.61 8.01 -1.26 -1.66 117.44 124.20 2bdi n TRP 141 Ca 0.00 -0.77 -0.30 0.00 -1.31 0.00 0.00 57.50 55.12 2bdi n TRP 141 Cb 0.00 -0.41 0.23 0.00 -2.01 0.00 0.00 31.31 29.11 2bdi n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2bdi s GLY 142 N -1.24 1.58 0.43 6.99 0.00 -1.23 -4.28 107.32 109.57 2bdi s GLY 142 Ca 0.49 -0.82 -0.23 0.00 0.00 0.00 0.00 44.72 44.16 2bdi s GLY 142 CO 0.14 0.00 0.84 1.04 0.00 0.00 0.00 173.10 175.13 2bdi n LEU 143 N -4.64 1.74 -5.00 0.66 4.32 0.14 -3.07 117.00 111.14 2bdi n LEU 143 Ca 0.11 0.98 -0.19 0.00 -0.02 0.00 0.00 56.01 56.89 2bdi n LEU 143 Cb 0.59 -1.27 0.03 0.00 -1.62 0.00 0.00 43.42 41.15 2bdi n LEU 143 CO 0.48 -2.00 0.26 -0.76 -1.22 0.00 0.00 177.39 174.14 2bdi s LEU 144 N 0.19 3.44 0.55 2.23 1.43 0.80 -1.50 118.68 125.81 2bdi s LEU 144 Ca 0.64 -0.36 0.33 0.00 -1.03 0.00 0.00 54.13 53.70 2bdi s LEU 144 Cb -0.57 -2.54 1.48 0.00 0.03 0.00 0.00 46.19 44.59 2bdi s LEU 144 CO 0.56 -1.01 1.84 0.00 0.23 0.00 0.00 176.35 177.97 2bdi h ALA 145 N 0.35 2.81 -0.19 4.21 0.00 -1.87 0.74 119.26 125.31 2bdi h ALA 145 Ca -0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2bdi h ALA 145 Cb 1.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2bdi h ALA 145 CO 0.46 -1.18 0.00 0.27 0.00 0.00 0.00 179.25 178.81 2bdi n ASN 146 N -4.07 1.41 -0.51 0.00 0.23 -1.26 -4.87 115.26 106.18 2bdi n ASN 146 Ca 0.19 -1.78 -0.07 0.00 -0.53 0.00 0.00 54.58 52.39 2bdi n ASN 146 Cb 1.02 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 38.57 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 0.89 3.51 4.83 0.00 0.26 -5.00 105.19 110.71 2bdi n GLY 147 Ca 0.13 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.38 1.87 0.11 1.61 3.00 -1.25 -4.76 118.95 117.15 2bdi s ARG 150 Ca 0.00 -1.18 -0.28 0.00 -1.00 0.00 0.00 55.73 53.28 2bdi s ARG 150 Cb 0.00 -2.14 -0.06 0.00 0.00 0.00 0.00 34.95 32.74 2bdi s ARG 150 CO 0.00 0.48 0.87 -1.64 0.00 0.00 0.00 175.30 175.00 2bdi s MET 151 N -2.27 4.63 0.70 5.12 -1.94 -1.26 -0.14 119.30 124.13 2bdi s MET 151 Ca 0.20 1.28 -0.11 0.00 -1.71 0.00 0.00 55.69 55.35 2bdi s MET 151 Cb -0.10 -3.34 0.01 0.00 2.01 0.00 0.00 34.83 33.40 2bdi s MET 151 CO 0.11 0.33 1.07 -1.25 -0.01 0.00 0.00 175.02 175.27 2bdi s PRO 152 N -0.35 2.93 0.03 2.03 0.04 -1.26 -4.95 135.00 133.46 2bdi s PRO 152 Ca 0.42 0.75 0.16 0.00 0.04 0.00 0.00 61.00 62.36 2bdi s PRO 152 Cb -0.23 -2.01 -0.17 0.00 0.04 0.00 0.00 34.50 32.14 2bdi s PRO 152 CO 0.27 -1.05 0.76 0.25 0.04 0.00 0.00 177.00 177.27 2bdi n THR 153 N -3.07 1.30 -4.44 1.26 -2.24 -1.26 -4.95 114.28 100.89 2bdi n THR 153 Ca 0.07 -0.72 -0.21 0.00 -2.27 0.00 0.00 64.05 60.91 2bdi n THR 153 Cb 0.55 -0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.86 2bdi n THR 153 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2bdi s VAL 154 N -2.83 1.39 0.22 2.28 -7.23 -1.26 -3.89 120.40 109.07 2bdi s VAL 154 Ca -0.04 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 57.77 2bdi s VAL 154 Cb 0.08 -2.63 -0.11 0.00 0.56 0.00 0.00 36.38 34.28 2bdi s VAL 154 CO 0.82 -0.15 1.62 -0.22 -0.31 0.00 0.00 175.10 176.85 2bdi s LEU 155 N -3.46 4.37 0.08 1.32 2.96 -0.62 -4.84 118.68 118.48 2bdi s LEU 155 Ca 0.33 2.78 -0.01 0.00 -0.22 0.00 0.00 54.13 57.01 2bdi s LEU 155 Cb 0.07 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2bdi s LEU 155 CO 0.14 -0.88 0.25 -1.10 -1.32 0.00 0.00 176.35 173.43 2bdi s GLN 156 N 0.65 3.48 -0.01 1.98 -1.52 -0.67 -1.67 119.66 121.89 2bdi s GLN 156 Ca 0.69 -0.36 0.01 0.00 -1.95 0.00 0.00 55.36 53.75 2bdi s GLN 156 Cb -0.47 -3.00 0.00 0.00 -0.22 0.00 0.00 33.01 29.33 2bdi s GLN 156 CO 0.36 0.58 -0.05 0.00 -0.25 0.00 0.00 175.29 175.93 2bdi s VAL 158 N 0.17 0.08 -0.08 0.00 0.11 -0.28 -2.30 120.40 118.11 2bdi s VAL 158 Ca -0.02 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.37 2bdi s VAL 158 Cb -0.06 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.65 2bdi s VAL 158 CO -0.00 -0.37 -0.08 0.20 -3.33 0.00 0.00 175.10 171.52 2bdi s ASN 159 N -2.55 4.54 0.00 3.54 -0.87 -1.26 -1.15 114.94 117.19 2bdi s ASN 159 Ca 0.01 -0.08 -0.03 0.00 -1.57 0.00 0.00 52.86 51.18 2bdi s ASN 159 Cb 0.01 -1.23 -0.01 0.00 -0.02 0.00 0.00 41.25 40.01 2bdi s ASN 159 CO -0.09 0.33 0.06 0.68 -2.57 0.00 0.00 177.10 175.51 2bdi s VAL 160 N -0.59 0.07 0.08 1.60 -7.23 -0.26 -4.87 120.40 109.20 2bdi s VAL 160 Ca 0.09 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.68 2bdi s VAL 160 Cb -0.12 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 2bdi s VAL 160 CO 0.02 -0.33 0.10 -0.44 -0.31 0.00 0.00 175.10 174.13 2bdi s SER 161 N -1.07 5.65 0.33 4.85 0.01 -1.26 -0.83 113.70 121.38 2bdi s SER 161 Ca -0.12 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 56.88 2bdi s SER 161 Cb -0.07 -1.55 -0.11 0.00 0.21 0.00 0.00 66.02 64.51 2bdi s SER 161 CO 0.00 0.17 1.42 -0.69 0.41 0.00 0.00 173.24 174.55 2bdi s VAL 162 N -1.42 2.39 0.06 3.43 1.01 0.46 0.19 120.40 126.52 2bdi s VAL 162 Ca 0.30 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2bdi s VAL 162 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2bdi s VAL 162 CO 0.23 0.08 0.20 -0.69 0.00 0.00 0.00 175.10 174.92 2bdi s VAL 163 N -0.86 5.32 0.68 2.92 1.01 -0.41 0.20 120.40 129.26 2bdi s VAL 163 Ca 0.53 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 2bdi s VAL 163 Cb -0.43 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2bdi s VAL 163 CO 0.55 0.13 1.15 -0.94 0.00 0.00 0.00 175.10 175.99 2bdi s SER 164 N -2.53 4.77 0.19 3.32 1.04 -1.26 -4.61 113.70 114.62 2bdi s SER 164 Ca 0.35 2.15 -0.12 0.00 0.48 0.00 0.00 55.95 58.81 2bdi s SER 164 Cb -0.13 -2.57 0.18 0.00 0.10 0.00 0.00 66.02 63.60 2bdi s SER 164 CO 0.28 -1.87 1.77 -0.08 0.98 0.00 0.00 173.24 174.32 2bdi h GLU 165 N -0.04 0.46 0.43 4.02 4.81 -1.98 -1.06 114.58 121.21 2bdi h GLU 165 Ca -0.47 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2bdi h GLU 165 Cb 1.27 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2bdi h GLU 165 CO 0.52 0.30 -0.42 1.49 -0.73 0.00 0.00 179.01 180.18 2bdi h GLU 166 N 0.47 -0.81 -0.90 1.92 4.81 -1.99 0.15 114.58 118.24 2bdi h GLU 166 Ca 0.25 0.05 0.24 0.00 -0.13 0.00 0.00 59.36 59.77 2bdi h GLU 166 Cb 0.20 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 2bdi h GLU 166 CO -0.20 -0.54 0.62 0.28 -0.73 0.00 0.00 179.01 178.44 2bdi h VAL 167 N -0.84 0.60 -0.03 0.32 2.07 -1.84 -1.83 116.25 114.71 2bdi h VAL 167 Ca -0.05 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2bdi h VAL 167 Cb 0.72 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2bdi h VAL 167 CO -0.04 0.03 -0.14 0.00 0.02 0.00 0.00 177.57 177.44 2bdi h SER 169 N -0.45 0.30 0.09 0.00 4.64 -0.41 -1.24 113.55 116.48 2bdi h SER 169 Ca -0.01 -0.09 -0.23 0.00 -0.47 0.00 0.00 61.79 61.00 2bdi h SER 169 Cb 0.81 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 62.84 2bdi h SER 169 CO 0.03 0.54 -0.94 0.11 -0.87 0.00 0.00 176.83 175.69 2bdi h LYS 170 N 0.27 0.49 0.00 4.77 1.57 -1.06 0.98 116.57 123.59 2bdi h LYS 170 Ca 0.05 -0.64 -0.01 0.00 -1.87 0.00 0.00 60.65 58.18 2bdi h LYS 170 Cb 0.56 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 2bdi h LYS 170 CO 0.04 1.26 -0.03 -0.07 -0.57 0.00 0.00 179.45 180.08 2bdi h LEU 171 N 0.01 0.00 -2.45 2.94 3.38 -0.17 -3.07 115.31 115.94 2bdi h LEU 171 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2bdi h LEU 171 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2bdi h LEU 171 CO 0.18 0.03 0.00 -1.22 0.09 0.00 0.00 178.44 177.52 2bdi n TYR 172 N -3.45 0.00 -1.69 1.13 4.01 -0.48 -5.01 117.16 111.66 2bdi n TYR 172 Ca -0.02 -0.37 -0.42 0.00 -0.16 0.00 0.00 57.90 56.93 2bdi n TYR 172 Cb 0.14 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.37 2.52 -1.17 7.72 -0.08 0.33 -0.64 116.55 124.86 2bdi n ASP 173 Ca 0.00 1.15 0.11 0.00 -1.51 0.00 0.00 54.79 54.54 2bdi n ASP 173 Cb 0.27 -1.48 0.28 0.00 2.34 0.00 0.00 41.12 42.54 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 0.31 2.47 0.17 -0.67 -0.04 -1.26 -4.83 135.00 131.17 2bdi n PRO 174 Ca 0.06 -2.29 0.14 0.00 -0.04 0.00 0.00 63.50 61.37 2bdi n PRO 174 Cb 0.38 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.81 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 3.80 0.00 -9.88 1.53 3.38 -1.25 -3.46 115.31 109.42 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 0.86 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.68 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 3.00 0.12 1.13 6.14 -0.28 -4.88 117.35 119.26 2bdi s TYR 176 Ca 0.05 1.36 0.01 0.00 0.64 0.00 0.00 57.07 59.14 2bdi s TYR 176 Cb 0.09 -3.72 -0.04 0.00 0.42 0.00 0.00 41.96 38.71 2bdi s TYR 176 CO 0.52 -2.02 -0.03 -1.58 0.64 0.00 0.00 175.55 173.08 2bdi s HIS 177 N -1.05 0.98 -1.05 4.97 2.46 -1.26 -4.94 115.29 115.40 2bdi s HIS 177 Ca 0.50 -0.99 0.05 0.00 0.47 0.00 0.00 55.06 55.09 2bdi s HIS 177 Cb -0.41 -0.57 0.22 0.00 -0.13 0.00 0.00 32.58 31.70 2bdi s HIS 177 CO 0.53 -0.21 1.14 -2.30 -2.47 0.00 0.00 174.74 171.43 2bdi n PRO 178 N -0.11 0.01 -0.58 2.88 -0.02 -1.26 -1.36 135.00 134.56 2bdi n PRO 178 Ca -0.10 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2bdi n PRO 178 Cb 0.62 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.81 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 -1.48 3.75 -3.98 2.55 3.41 -1.26 -4.79 113.62 111.82 2bdi n SER 179 Ca 0.01 -2.64 -0.09 0.00 -0.26 0.00 0.00 58.87 55.89 2bdi n SER 179 Cb 0.06 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.30 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 -2.03 1.10 0.20 4.33 0.23 -0.46 -1.74 119.30 120.93 2bdi s MET 180 Ca 0.33 -1.20 -0.19 0.00 -1.03 0.00 0.00 55.69 53.61 2bdi s MET 180 Cb 0.26 0.35 0.03 0.00 -1.53 0.00 0.00 34.83 33.94 2bdi s MET 180 CO 0.09 -0.39 0.55 -0.59 -2.03 0.00 0.00 175.02 172.65 2bdi s PHE 181 N -3.97 -0.18 0.06 3.16 -0.12 -0.13 -4.70 117.98 112.10 2bdi s PHE 181 Ca 0.17 -0.15 0.04 0.00 -0.05 0.00 0.00 56.93 56.94 2bdi s PHE 181 Cb 0.04 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 2bdi s PHE 181 CO -0.01 -0.94 -0.01 0.00 -0.05 0.00 0.00 175.22 174.22 2bdi s ALA 183 N -1.23 -1.29 0.00 0.00 0.00 -0.84 -1.28 121.76 117.11 2bdi s ALA 183 Ca 0.23 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2bdi s ALA 183 Cb -0.12 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.29 2bdi s ALA 183 CO 0.15 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2bdi n GLY 184 N 2.52 0.37 2.06 0.00 0.00 0.13 -2.69 105.19 107.58 2bdi n GLY 184 Ca -0.15 -1.43 -0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 0.47 3.86 -0.02 0.00 -1.26 -4.54 105.19 103.69 2bdi n GLY 185 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.06 1.72 0.39 -0.02 0.00 -1.26 0.29 107.32 106.38 2bdi s GLY 186 Ca 0.00 -1.10 0.18 0.00 0.00 0.00 0.00 44.72 43.81 2bdi s GLY 186 CO 0.00 -0.33 1.78 -1.61 0.00 0.00 0.00 173.10 172.94 2bdi h GLN 186 N -1.80 0.00 0.00 2.90 5.75 -1.94 -2.73 115.11 117.29 2bdi h GLN 186 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2bdi h GLN 186 Cb 1.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.80 2bdi h GLN 186 CO 0.40 0.36 0.00 -0.40 -2.65 0.00 0.00 178.83 176.53 2bdi n ASP 186 N -3.64 0.00 -3.89 -0.69 3.85 -1.26 -4.85 116.55 106.08 2bdi n ASP 186 Ca -0.01 -0.22 -0.30 0.00 -0.71 0.00 0.00 54.79 53.55 2bdi n ASP 186 Cb 0.47 -0.08 0.02 0.00 -1.35 0.00 0.00 41.12 40.18 2bdi n ASP 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2bdi n GLN 187 N -1.08 -5.19 -3.44 0.11 6.02 -1.03 -4.96 117.38 107.81 2bdi n GLN 187 Ca 0.08 0.58 -0.37 0.00 -0.01 0.00 0.00 57.00 57.27 2bdi n GLN 187 Cb 0.05 -5.45 -0.07 0.00 1.02 0.00 0.00 30.24 25.79 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 -6.60 4.23 0.13 -1.09 1.02 -1.26 -4.41 119.74 111.76 2bdi s LYS 188 Ca 0.66 0.18 -0.25 0.00 0.02 0.00 0.00 55.97 56.57 2bdi s LYS 188 Cb -0.33 -3.48 0.08 0.00 -0.52 0.00 0.00 37.83 33.58 2bdi s LYS 188 CO 0.81 0.10 1.03 0.34 -0.92 0.00 0.00 175.35 176.71 2bdi s ASP 189 N 0.75 -0.12 0.86 2.83 2.15 -0.99 -4.22 116.67 117.94 2bdi s ASP 189 Ca 0.19 -0.41 -0.08 0.00 0.43 0.00 0.00 52.55 52.67 2bdi s ASP 189 Cb -0.14 0.43 0.17 0.00 -0.30 0.00 0.00 42.92 43.08 2bdi s ASP 189 CO 0.07 -0.82 1.06 -1.20 -0.17 0.00 0.00 175.17 174.11 2bdi n SER 190 N -0.62 0.62 -3.61 -0.34 7.64 -1.26 0.44 113.62 116.49 2bdi n SER 190 Ca -0.06 -1.71 -0.05 0.00 1.01 0.00 0.00 58.87 58.06 2bdi n SER 190 Cb 0.61 -0.76 -0.00 0.00 -1.01 0.00 0.00 64.21 63.04 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 -0.71 0.97 0.00 0.00 4.13 -1.26 -0.99 115.26 117.39 2bdi n ASN 192 Ca -0.05 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.34 2bdi n ASN 192 Cb 0.60 -1.05 0.00 0.00 -1.54 0.00 0.00 39.78 37.79 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 2.30 0.28 0.75 7.41 0.00 -1.26 -0.69 105.19 113.99 2bdi n GLY 193 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 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 2.67 -4.65 1.61 8.00 -0.16 -3.49 116.55 120.53 2bdi n ASP 194 Ca 0.00 -1.78 -0.44 0.00 0.71 0.00 0.00 54.79 53.28 2bdi n ASP 194 Cb 0.00 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 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 0.96 2.10 0.00 -2.24 7.64 -1.26 -0.25 113.62 120.56 2bdi n SER 195 Ca 0.12 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.19 2bdi n SER 195 Cb 0.44 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 1.08 2.16 3.65 0.23 0.00 0.20 -1.59 105.19 110.92 2bdi n GLY 196 Ca 0.07 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 1.62 0.31 -0.02 0.00 0.65 -3.61 107.32 104.27 2bdi s GLY 197 Ca 0.00 0.09 -0.16 0.00 0.00 0.00 0.00 44.72 44.64 2bdi s GLY 197 CO 0.00 0.61 0.75 2.56 0.00 0.00 0.00 173.10 177.02 2bdi s PRO 198 N -4.75 4.06 -0.25 2.90 0.04 -1.26 -0.65 135.00 135.08 2bdi s PRO 198 Ca 0.65 0.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 2bdi s PRO 198 Cb -0.21 -2.48 0.07 0.00 0.04 0.00 0.00 34.50 31.92 2bdi s PRO 198 CO 0.59 0.18 0.03 -1.17 0.04 0.00 0.00 177.00 176.67 2bdi s LEU 199 N -2.84 2.13 -0.11 -3.56 2.96 -0.42 -3.35 118.68 113.49 2bdi s LEU 199 Ca 0.53 -1.26 -0.13 0.00 -0.22 0.00 0.00 54.13 53.05 2bdi s LEU 199 Cb -0.11 -0.91 -0.05 0.00 0.50 0.00 0.00 46.19 45.62 2bdi s LEU 199 CO 0.18 -0.32 0.30 -0.63 -1.32 0.00 0.00 176.35 174.55 2bdi s ILE 200 N 1.59 5.27 -0.16 6.68 -1.09 0.67 0.15 121.20 134.30 2bdi s ILE 200 Ca 0.02 0.56 -0.03 0.00 -2.23 0.00 0.00 60.65 58.97 2bdi s ILE 200 Cb -0.18 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 37.15 2bdi s ILE 200 CO -0.13 0.49 0.06 0.00 -1.23 0.00 0.00 174.94 174.13 2bdi n ASN 202 N 5.17 -2.69 -0.06 0.00 5.03 -1.26 -2.87 115.26 118.58 2bdi n ASN 202 Ca -0.08 -0.50 -0.01 0.00 0.87 0.00 0.00 54.58 54.87 2bdi n ASN 202 Cb 0.48 -4.28 -0.00 0.00 -1.02 0.00 0.00 39.78 34.96 2bdi n ASN 202 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bdi n GLY 203 N -1.22 0.25 3.58 7.41 0.00 -1.26 -5.01 105.19 108.94 2bdi n GLY 203 Ca -0.19 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.42 2.60 -0.48 1.61 1.51 -1.14 -4.74 117.35 115.29 2bdi s TYR 208 Ca 0.00 -0.24 -0.28 0.00 -1.01 0.00 0.00 57.07 55.54 2bdi s TYR 208 Cb 0.00 -1.20 0.03 0.00 -0.11 0.00 0.00 41.96 40.67 2bdi s TYR 208 CO 0.00 0.58 1.07 -1.17 -1.11 0.00 0.00 175.55 174.93 2bdi s LEU 209 N -3.25 3.74 -0.19 -1.29 2.96 0.23 -0.87 118.68 120.01 2bdi s LEU 209 Ca 0.28 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.51 2bdi s LEU 209 Cb -0.07 -3.42 -0.22 0.00 0.50 0.00 0.00 46.19 42.98 2bdi s LEU 209 CO 0.17 -1.20 0.09 1.67 -1.32 0.00 0.00 176.35 175.75 2bdi n GLN 210 N 7.67 0.70 -3.66 1.98 -0.06 0.12 -0.19 117.38 123.94 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 -1.62 0.01 0.00 -4.06 0.00 0.00 30.24 25.06 2bdi n GLN 210 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2bdi n GLY 211 N 2.10 1.48 3.23 1.69 0.00 -0.82 -3.05 105.19 109.81 2bdi n GLY 211 Ca -0.38 -1.38 -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 2.07 -0.12 0.99 1.43 -1.21 -1.31 118.68 120.53 2bdi s LEU 212 Ca 0.19 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 2bdi s LEU 212 Cb -0.03 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.08 2bdi s LEU 212 CO 0.14 0.23 2.12 -0.69 0.23 0.00 0.00 176.35 178.38 2bdi s VAL 213 N -0.56 3.02 0.00 -1.59 1.01 0.17 -1.27 120.40 121.18 2bdi s VAL 213 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2bdi s VAL 213 Cb -0.08 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2bdi s VAL 213 CO -0.00 -0.01 0.00 -0.24 0.00 0.00 0.00 175.10 174.85 2bdi n SER 214 N 10.08 0.00 -2.62 3.32 2.88 -0.96 0.62 113.62 126.94 2bdi n SER 214 Ca 0.26 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.72 2bdi n SER 214 Cb 0.43 -0.36 0.02 0.00 -0.75 0.00 0.00 64.21 63.56 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 -2.46 -2.22 0.00 0.66 1.16 -1.11 -4.89 117.46 108.59 2bdi n PHE 215 Ca 0.00 -1.70 0.00 0.00 -1.87 0.00 0.00 57.45 53.88 2bdi n PHE 215 Cb 0.00 0.83 0.00 0.00 -1.61 0.00 0.00 39.48 38.70 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 -0.49 0.80 3.70 4.97 0.00 -1.26 0.81 105.19 113.73 2bdi n GLY 216 Ca -0.08 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 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 1.41 0.12 1.61 1.02 -1.26 -5.02 119.74 115.63 2bdi s LYS 217 Ca 0.00 1.47 0.09 0.00 0.02 0.00 0.00 55.97 57.55 2bdi s LYS 217 Cb 0.00 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 2bdi s LYS 217 CO 0.00 -2.33 -0.22 0.00 -0.92 0.00 0.00 175.35 171.89 2bdi s ALA 218 N -2.66 2.00 1.32 5.17 0.00 -1.26 -4.19 121.76 122.13 2bdi s ALA 218 Ca 0.66 -1.36 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 2bdi s ALA 218 Cb -0.22 -0.26 0.33 0.00 0.00 0.00 0.00 23.12 22.97 2bdi s ALA 218 CO 0.56 0.38 1.03 -0.35 0.00 0.00 0.00 175.76 177.38 2bdi n PRO 219 N 0.85 -3.65 -2.21 0.00 -0.04 -1.26 -5.11 135.00 123.58 2bdi n PRO 219 Ca -0.18 -1.67 -0.29 0.00 -0.04 0.00 0.00 63.50 61.32 2bdi n PRO 219 Cb 0.54 -1.72 0.02 0.00 -0.04 0.00 0.00 33.50 32.30 2bdi n PRO 219 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bdi n GLY 220 N -2.60 -0.32 3.78 0.00 0.00 -1.26 -4.98 105.19 99.81 2bdi n GLY 220 Ca 0.04 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2bdi n GLY 220 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bdi s GLN 221 N -5.02 4.50 0.26 1.61 -0.21 -1.26 -4.60 119.66 114.94 2bdi s GLN 221 Ca 0.07 1.09 -0.30 0.00 0.02 0.00 0.00 55.36 56.24 2bdi s GLN 221 Cb -0.03 -3.21 -0.10 0.00 1.00 0.00 0.00 33.01 30.66 2bdi s GLN 221 CO 0.09 0.56 1.47 0.08 -2.12 0.00 0.00 175.29 175.37 2bdi s VAL 222 N -1.19 2.51 0.00 1.09 1.01 -1.26 -1.87 120.40 120.69 2bdi s VAL 222 Ca 0.36 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.77 2bdi s VAL 222 Cb -0.22 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2bdi s VAL 222 CO 0.25 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2bdi n GLY 223 N 2.14 0.83 2.84 4.51 0.00 0.14 -4.94 105.19 110.72 2bdi n GLY 223 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2bdi n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bdi s VAL 224 N -3.37 2.06 0.90 1.61 1.01 -0.78 -5.01 120.40 116.82 2bdi s VAL 224 Ca 0.00 -2.99 -0.11 0.00 0.00 0.00 0.00 61.98 58.88 2bdi s VAL 224 Cb 0.00 -2.44 0.13 0.00 0.00 0.00 0.00 36.38 34.08 2bdi s VAL 224 CO 0.00 -0.84 1.09 -2.16 0.00 0.00 0.00 175.10 173.19 2bdi s PRO 225 N -0.01 1.19 0.37 2.72 0.04 -1.26 -4.33 135.00 133.72 2bdi s PRO 225 Ca 0.17 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.09 2bdi s PRO 225 Cb -0.25 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2bdi s PRO 225 CO 0.00 -2.31 0.60 0.20 0.04 0.00 0.00 177.00 175.53 2bdi s GLY 226 N -3.33 1.42 -0.07 0.56 0.00 -1.10 -4.64 107.32 100.17 2bdi s GLY 226 Ca 0.64 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 44.52 2bdi s GLY 226 CO 0.57 -0.70 0.13 0.14 0.00 0.00 0.00 173.10 173.24 2bdi s VAL 227 N -2.38 5.26 0.04 1.40 1.01 0.24 -1.99 120.40 123.97 2bdi s VAL 227 Ca 0.42 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.41 2bdi s VAL 227 Cb -0.10 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 2bdi s VAL 227 CO 0.37 0.50 -0.11 -0.31 0.00 0.00 0.00 175.10 175.55 2bdi s TYR 228 N -1.12 0.95 0.10 5.22 1.51 0.62 -2.26 117.35 122.36 2bdi s TYR 228 Ca 0.19 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.58 2bdi s TYR 228 Cb -0.12 -0.56 -0.08 0.00 -0.11 0.00 0.00 41.96 41.08 2bdi s TYR 228 CO 0.09 -0.00 1.55 0.99 -1.11 0.00 0.00 175.55 177.07 2bdi s THR 229 N -0.94 3.04 -1.23 -0.71 2.01 -0.40 -0.96 115.64 116.45 2bdi s THR 229 Ca -0.02 0.63 -0.16 0.00 0.31 0.00 0.00 61.69 62.45 2bdi s THR 229 Cb -0.08 -3.41 0.13 0.00 0.01 0.00 0.00 72.50 69.15 2bdi s THR 229 CO 0.01 0.02 1.54 0.21 -0.69 0.00 0.00 174.62 175.71 2bdi s ASN 230 N 1.71 6.96 0.42 3.53 2.47 -0.71 -3.32 114.94 125.99 2bdi s ASN 230 Ca 0.70 -2.72 0.13 0.00 0.42 0.00 0.00 52.86 51.39 2bdi s ASN 230 Cb -0.39 -2.47 0.99 0.00 -1.45 0.00 0.00 41.25 37.93 2bdi s ASN 230 CO 0.31 -0.94 1.95 -0.07 -3.72 0.00 0.00 177.10 174.63 2bdi h LEU 231 N 10.90 0.42 -1.66 3.21 3.38 -1.86 0.24 115.31 129.94 2bdi h LEU 231 Ca 0.36 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.42 2bdi h LEU 231 Cb 0.88 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2bdi h LEU 231 CO 1.33 0.24 0.55 0.00 0.09 0.00 0.00 178.44 180.65 2bdi n LYS 233 N -3.20 0.02 -0.29 0.00 4.76 0.86 -3.79 118.16 116.51 2bdi n LYS 233 Ca 0.05 0.01 0.08 0.00 -2.87 0.00 0.00 58.31 55.58 2bdi n LYS 233 Cb 0.67 -1.51 0.17 0.00 -1.84 0.00 0.00 35.03 32.51 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 -1.54 0.04 0.33 2.13 3.72 -0.05 -4.81 117.46 117.27 2bdi n PHE 234 Ca 0.06 -1.20 -0.18 0.00 -0.05 0.00 0.00 57.45 56.09 2bdi n PHE 234 Cb 0.34 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.59 2bdi n PHE 234 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2bdi h THR 235 N 0.43 0.09 -0.68 4.37 1.35 -1.65 0.25 112.91 117.07 2bdi h THR 235 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.01 2bdi h THR 235 Cb 1.02 0.09 -0.11 0.00 -1.73 0.00 0.00 68.15 67.42 2bdi h THR 235 CO 0.01 0.00 0.07 -0.08 -0.25 0.00 0.00 175.52 175.27 2bdi h GLU 236 N -1.00 0.17 0.04 4.72 4.81 -1.90 0.51 114.58 121.93 2bdi h GLU 236 Ca -0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2bdi h GLU 236 Cb 0.84 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2bdi h GLU 236 CO 0.00 0.11 -0.02 2.35 -0.73 0.00 0.00 179.01 180.72 2bdi h TRP 237 N 0.17 -0.05 -0.88 0.92 7.01 -1.82 -0.47 115.95 120.84 2bdi h TRP 237 Ca 0.37 -0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.54 2bdi h TRP 237 Cb 0.63 0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.64 2bdi h TRP 237 CO -0.33 0.15 0.57 0.82 -2.79 0.00 0.00 178.44 176.86 2bdi h ILE 238 N -0.25 0.75 0.31 2.65 2.04 0.43 -2.26 117.51 121.19 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 0.23 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2bdi h ILE 238 CO 0.01 0.10 -0.15 -0.08 0.00 0.00 0.00 178.15 178.03 2bdi h GLU 239 N 0.53 -0.41 -0.70 2.37 4.57 -0.34 -1.88 114.58 118.72 2bdi h GLU 239 Ca 0.45 0.03 0.20 0.00 -1.18 0.00 0.00 59.36 58.86 2bdi h GLU 239 Cb 0.94 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 2bdi h GLU 239 CO -0.19 -0.27 0.75 -0.22 -1.18 0.00 0.00 179.01 177.90 2bdi h LYS 240 N -1.00 0.00 0.00 1.92 3.64 -0.96 -0.44 116.57 119.73 2bdi h LYS 240 Ca -0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2bdi h LYS 240 Cb 0.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2bdi h LYS 240 CO 0.07 0.00 -0.40 1.15 -2.27 0.00 0.00 179.45 178.00 2bdi h THR 241 N 0.00 0.38 -0.59 1.00 2.02 -1.40 -3.16 112.91 111.15 2bdi h THR 241 Ca 0.33 -1.37 0.07 0.00 0.77 0.00 0.00 66.41 66.22 2bdi h THR 241 Cb 1.83 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 68.97 2bdi h THR 241 CO -0.00 0.13 0.27 0.58 0.37 0.00 0.00 175.52 176.87 2bdi h VAL 242 N -1.00 0.87 0.00 3.16 2.07 -0.57 -3.36 116.25 117.42 2bdi h VAL 242 Ca -0.06 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2bdi h VAL 242 Cb 0.54 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2bdi h VAL 242 CO -0.03 0.09 0.00 1.67 0.02 0.00 0.00 177.57 179.32 2bdi n GLN 243 N -4.91 0.00 0.00 1.57 -0.06 -0.25 -5.09 117.38 108.64 2bdi n GLN 243 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 2bdi n GLN 243 Cb 0.21 -0.04 0.00 0.00 -4.06 0.00 0.00 30.24 26.35 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86