#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 4.61 -1.24 1.39 -1.09 0.12 -4.02 121.20 120.97 2bdi s ILE 17 Ca 0.00 -0.09 -0.03 0.00 -2.23 0.00 0.00 60.65 58.30 2bdi s ILE 17 Cb 0.00 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 2bdi s ILE 17 CO 0.00 0.40 1.05 0.59 -1.23 0.00 0.00 174.94 175.75 2bdi n ASN 18 N 4.14 -3.47 -0.28 3.58 5.03 -1.26 -2.37 115.26 120.62 2bdi n ASN 18 Ca -0.16 -0.59 0.00 0.00 0.87 0.00 0.00 54.58 54.70 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 -1.42 7.31 3.29 7.41 0.00 -1.26 -4.82 105.19 115.70 2bdi n GLY 19 Ca -0.19 -2.05 -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 0.57 1.11 0.07 1.61 2.02 -0.05 -4.92 118.70 119.11 2bdi s GLU 20 Ca 0.00 -1.27 -0.34 0.00 0.02 0.00 0.00 54.97 53.37 2bdi s GLU 20 Cb 0.00 0.34 -0.14 0.00 0.10 0.00 0.00 34.13 34.43 2bdi s GLU 20 CO 0.00 -0.39 1.65 -0.25 0.02 0.00 0.00 175.26 176.29 2bdi n ASP 21 N -0.19 3.06 -4.81 -0.19 9.92 -1.26 -0.66 116.55 122.41 2bdi n ASP 21 Ca -0.06 1.05 -0.33 0.00 -0.53 0.00 0.00 54.79 54.93 2bdi n ASP 21 Cb 0.63 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.73 2bdi n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bdi s SER 23 N -2.85 6.13 -0.42 0.00 0.15 -1.26 -4.74 113.70 110.71 2bdi s SER 23 Ca 0.63 2.41 -0.39 0.00 0.70 0.00 0.00 55.95 59.30 2bdi s SER 23 Cb -0.15 -2.52 -0.17 0.00 -1.71 0.00 0.00 66.02 61.47 2bdi s SER 23 CO 0.36 -1.35 1.41 -2.65 1.20 0.00 0.00 173.24 172.21 2bdi n PRO 24 N 7.93 0.00 -1.59 5.44 -0.02 -1.26 0.27 135.00 145.78 2bdi n PRO 24 Ca 0.23 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.59 2bdi n PRO 24 Cb 0.42 -1.25 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 2bdi n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2bdi n HIS 25 N 3.83 -0.16 0.74 6.00 8.25 -1.26 -4.89 115.22 127.74 2bdi n HIS 25 Ca 0.29 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.88 2bdi n HIS 25 Cb -0.05 -2.34 0.49 0.00 1.12 0.00 0.00 29.99 29.22 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 -0.02 0.36 -3.30 0.41 3.41 0.14 -4.00 113.62 110.63 2bdi n SER 26 Ca -0.13 0.54 -0.25 0.00 -0.26 0.00 0.00 58.87 58.78 2bdi n SER 26 Cb 0.45 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.85 1.57 0.00 4.33 1.13 -1.26 -4.97 117.38 116.33 2bdi n GLN 27 Ca 0.06 -3.91 0.01 0.00 -1.94 0.00 0.00 57.00 51.22 2bdi n GLN 27 Cb 0.34 -1.70 0.06 0.00 0.11 0.00 0.00 30.24 29.05 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 1.14 0.01 0.00 -1.09 -0.04 -1.26 -1.52 135.00 132.25 2bdi n PRO 28 Ca 0.25 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 2bdi n PRO 28 Cb 0.47 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.44 0.00 -1.97 0.54 2.14 -1.04 -2.18 117.44 113.49 2bdi n TRP 29 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 2bdi n TRP 29 Cb 0.03 -0.14 -0.03 0.00 -0.81 0.00 0.00 31.31 30.35 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 -2.69 4.23 -0.13 -2.67 2.00 -0.57 -0.89 119.66 118.95 2bdi s GLN 30 Ca 0.19 2.30 0.01 0.00 -2.00 0.00 0.00 55.36 55.86 2bdi s GLN 30 Cb 0.18 -3.32 -0.01 0.00 0.80 0.00 0.00 33.01 30.67 2bdi s GLN 30 CO 0.60 -0.62 -0.16 0.00 -0.50 0.00 0.00 175.29 174.61 2bdi s ALA 31 N 1.64 2.49 -0.09 1.58 0.00 -0.01 -4.30 121.76 123.07 2bdi s ALA 31 Ca 0.70 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 2bdi s ALA 31 Cb -0.41 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 2bdi s ALA 31 CO 0.31 0.22 0.24 0.00 0.00 0.00 0.00 175.76 176.53 2bdi s ALA 32 N 0.41 3.78 -0.30 0.00 0.00 -0.44 0.15 121.76 125.36 2bdi s ALA 32 Ca -0.12 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 2bdi s ALA 32 Cb -0.16 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 20.83 2bdi s ALA 32 CO 0.06 0.49 0.04 -0.51 0.00 0.00 0.00 175.76 175.84 2bdi s LEU 33 N -0.78 3.89 0.07 0.00 1.02 0.27 -0.79 118.68 122.35 2bdi s LEU 33 Ca 0.17 -1.00 0.07 0.00 0.02 0.00 0.00 54.13 53.39 2bdi s LEU 33 Cb -0.13 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 2bdi s LEU 33 CO 0.06 -0.24 -0.14 0.68 0.02 0.00 0.00 176.35 176.74 2bdi s VAL 34 N 1.38 3.09 0.00 -1.59 -7.23 -1.14 -1.25 120.40 113.66 2bdi s VAL 34 Ca -0.01 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2bdi s VAL 34 Cb -0.18 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2bdi s VAL 34 CO 0.01 0.24 0.00 0.23 -0.31 0.00 0.00 175.10 175.27 2bdi n MET 35 N 1.18 3.71 -0.25 4.82 2.81 0.63 -3.80 117.12 126.23 2bdi n MET 35 Ca -0.15 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.67 2bdi n MET 35 Cb 0.52 0.00 -0.06 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 -0.51 0.03 4.71 -1.26 -3.61 120.64 119.74 2bdi n GLU 36 Ca 0.00 0.91 -0.00 0.00 -0.01 0.00 0.00 57.16 58.06 2bdi n GLU 36 Cb 0.00 -1.34 -0.00 0.00 -1.01 0.00 0.00 31.44 29.09 2bdi n GLU 36 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2bdi n ASN 37 N -4.76 -0.01 -4.11 1.62 4.13 -1.26 -5.13 115.26 105.75 2bdi n ASN 37 Ca 0.01 -1.20 -0.08 0.00 1.68 0.00 0.00 54.58 54.99 2bdi n ASN 37 Cb 0.16 -0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.27 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 0.66 0.08 3.52 2.12 -1.24 -5.13 118.70 118.71 2bdi s GLU 38 Ca 0.00 -1.24 -0.26 0.00 0.36 0.00 0.00 54.97 53.83 2bdi s GLU 38 Cb 0.00 0.13 -0.06 0.00 0.26 0.00 0.00 34.13 34.46 2bdi s GLU 38 CO -0.00 -0.09 0.80 -1.17 -0.54 0.00 0.00 175.26 174.26 2bdi s LEU 40 N -2.95 4.48 0.00 2.70 1.98 -1.26 -0.27 118.68 123.37 2bdi s LEU 40 Ca 0.08 1.54 0.00 0.00 -2.89 0.00 0.00 54.13 52.86 2bdi s LEU 40 Cb 0.07 -3.30 0.00 0.00 0.66 0.00 0.00 46.19 43.62 2bdi s LEU 40 CO -0.09 0.03 0.00 2.22 -1.89 0.00 0.00 176.35 176.63 2bdi n PHE 41 N 2.60 0.00 -3.83 5.38 -1.74 -0.38 -4.94 117.46 114.54 2bdi n PHE 41 Ca -0.02 0.00 -0.05 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 -3.16 0.79 0.33 0.00 0.01 -0.59 -0.56 113.70 110.52 2bdi s SER 43 Ca 0.17 -1.39 -0.06 0.00 1.31 0.00 0.00 55.95 55.97 2bdi s SER 43 Cb -0.03 0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.46 2bdi s SER 43 CO 0.07 -0.78 0.52 -0.83 0.41 0.00 0.00 173.24 172.62 2bdi s GLY 44 N -3.25 1.16 -0.08 3.44 0.00 0.12 -4.08 107.32 104.63 2bdi s GLY 44 Ca 0.38 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.82 2bdi s GLY 44 CO 0.13 -0.84 -0.11 0.14 0.00 0.00 0.00 173.10 172.42 2bdi s VAL 45 N -3.13 1.14 -0.56 1.40 1.01 0.46 -0.83 120.40 119.90 2bdi s VAL 45 Ca 0.27 -0.45 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 2bdi s VAL 45 Cb -0.01 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2bdi s VAL 45 CO 0.17 0.37 1.92 -0.22 0.00 0.00 0.00 175.10 177.33 2bdi s LEU 46 N 0.96 3.34 0.00 3.92 2.96 -0.06 0.50 118.68 130.29 2bdi s LEU 46 Ca -0.09 0.57 0.20 0.00 -0.22 0.00 0.00 54.13 54.59 2bdi s LEU 46 Cb -0.15 -2.67 0.43 0.00 0.50 0.00 0.00 46.19 44.30 2bdi s LEU 46 CO 0.00 -2.34 1.36 1.33 -1.32 0.00 0.00 176.35 175.38 2bdi n VAL 47 N 7.34 0.65 -3.59 1.68 0.24 -0.98 -1.61 118.33 122.07 2bdi n VAL 47 Ca 0.23 -0.83 -0.05 0.00 -2.04 0.00 0.00 64.34 61.65 2bdi n VAL 47 Cb 0.52 0.82 -0.02 0.00 -1.47 0.00 0.00 33.84 33.69 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 -1.25 -0.16 0.42 6.34 5.65 -1.19 -4.74 115.29 120.35 2bdi s HIS 48 Ca 0.37 0.13 0.13 0.00 0.25 0.00 0.00 55.06 55.94 2bdi s HIS 48 Cb 0.21 0.51 0.99 0.00 -1.18 0.00 0.00 32.58 33.11 2bdi s HIS 48 CO 0.28 -0.23 1.96 -1.35 -0.65 0.00 0.00 174.74 174.75 2bdi h PRO 49 N 2.05 0.45 -0.09 2.88 0.11 -1.92 -2.81 132.00 132.67 2bdi h PRO 49 Ca -0.11 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 2bdi h PRO 49 Cb 1.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2bdi h PRO 49 CO 0.24 0.30 -0.09 0.94 -0.21 0.00 0.00 178.00 179.17 2bdi n GLN 50 N -4.48 1.74 -3.76 1.05 7.27 -1.26 -1.09 117.38 116.85 2bdi n GLN 50 Ca 0.11 -2.82 -0.15 0.00 0.07 0.00 0.00 57.00 54.21 2bdi n GLN 50 Cb 0.38 -1.63 -0.16 0.00 2.41 0.00 0.00 30.24 31.25 2bdi n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2bdi s TRP 51 N -2.97 -0.02 -0.20 3.69 0.52 -1.06 -1.45 118.94 117.45 2bdi s TRP 51 Ca 0.36 0.22 -0.03 0.00 0.02 0.00 0.00 56.10 56.68 2bdi s TRP 51 Cb 0.32 -0.21 -0.00 0.00 -1.15 0.00 0.00 33.47 32.43 2bdi s TRP 51 CO 0.02 -0.11 -0.08 0.08 0.02 0.00 0.00 176.95 176.88 2bdi s VAL 52 N 1.14 3.10 0.17 4.03 1.01 0.44 -2.31 120.40 127.99 2bdi s VAL 52 Ca -0.09 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 2bdi s VAL 52 Cb -0.13 -2.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 2bdi s VAL 52 CO -0.04 0.46 0.69 -0.22 0.00 0.00 0.00 175.10 175.98 2bdi s LEU 53 N 1.32 4.43 0.00 3.92 2.96 0.18 -0.12 118.68 131.37 2bdi s LEU 53 Ca 0.04 1.40 -0.13 0.00 -0.22 0.00 0.00 54.13 55.22 2bdi s LEU 53 Cb -0.14 -3.35 0.05 0.00 0.50 0.00 0.00 46.19 43.25 2bdi s LEU 53 CO -0.04 0.13 0.65 -0.24 -1.32 0.00 0.00 176.35 175.53 2bdi n SER 54 N 1.12 -1.65 -4.72 3.68 2.88 -0.11 0.17 113.62 114.99 2bdi n SER 54 Ca -0.05 -2.09 -0.40 0.00 -1.33 0.00 0.00 58.87 55.00 2bdi n SER 54 Cb 0.51 2.74 -0.05 0.00 -0.75 0.00 0.00 64.21 66.66 2bdi n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bdi s ALA 55 N -1.81 3.33 0.49 -1.46 0.00 -1.26 0.78 121.76 121.82 2bdi s ALA 55 Ca 0.13 0.18 0.29 0.00 0.00 0.00 0.00 51.96 52.57 2bdi s ALA 55 Cb -0.03 -2.98 1.37 0.00 0.00 0.00 0.00 23.12 21.47 2bdi s ALA 55 CO 0.08 -0.08 1.82 0.00 0.00 0.00 0.00 175.76 177.57 2bdi h ALA 56 N 6.58 2.73 -0.00 0.00 0.00 -1.59 0.29 119.26 127.26 2bdi h ALA 56 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2bdi h ALA 56 Cb 1.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2bdi h ALA 56 CO 0.74 -1.07 0.00 -2.39 0.00 0.00 0.00 179.25 176.54 2bdi n HIS 57 N -4.36 0.01 0.49 0.00 1.44 -1.26 -2.42 115.22 109.12 2bdi n HIS 57 Ca 0.24 -0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.00 2bdi n HIS 57 Cb 1.04 -0.09 0.00 0.00 0.12 0.00 0.00 29.99 31.06 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 -0.12 0.27 -4.11 0.00 7.35 -1.02 -5.02 117.46 114.81 2bdi n PHE 59 Ca 0.05 0.86 -0.13 0.00 -0.76 0.00 0.00 57.45 57.48 2bdi n PHE 59 Cb 0.24 -2.08 -0.06 0.00 0.35 0.00 0.00 39.48 37.92 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 -1.13 1.60 0.05 -4.13 -1.52 -1.26 -5.05 119.66 108.22 2bdi s GLN 60 Ca 0.64 -1.60 0.09 0.00 -1.95 0.00 0.00 55.36 52.54 2bdi s GLN 60 Cb -0.86 0.39 -0.22 0.00 -0.22 0.00 0.00 33.01 32.11 2bdi s GLN 60 CO 0.57 -0.62 1.02 -0.91 -0.25 0.00 0.00 175.29 175.09 2bdi h ASN 61 N 2.29 0.00 -3.99 5.90 2.35 -1.95 -3.46 115.58 116.72 2bdi h ASN 61 Ca -0.29 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.33 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 0.41 1.00 -0.27 -0.94 -1.65 0.00 0.00 177.43 175.98 2bdi s SER 62 N -6.45 -0.37 0.25 5.81 1.04 -1.26 -4.61 113.70 108.11 2bdi s SER 62 Ca -0.01 0.68 0.11 0.00 0.48 0.00 0.00 55.95 57.21 2bdi s SER 62 Cb 0.09 0.72 -0.05 0.00 0.10 0.00 0.00 66.02 66.88 2bdi s SER 62 CO 0.82 -0.17 -0.15 -0.31 0.98 0.00 0.00 173.24 174.42 2bdi s TYR 63 N 0.03 2.43 -0.59 5.02 1.51 -0.21 -5.01 117.35 120.53 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 0.15 0.00 -0.11 0.00 0.00 41.96 40.88 2bdi s TYR 63 CO 0.01 0.64 0.37 0.99 -1.11 0.00 0.00 175.55 176.45 2bdi s THR 64 N -2.23 2.38 0.10 -0.71 2.01 -1.25 -2.56 115.64 113.37 2bdi s THR 64 Ca 0.28 -3.61 -0.30 0.00 0.31 0.00 0.00 61.69 58.38 2bdi s THR 64 Cb -0.06 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 2bdi s THR 64 CO 0.15 -0.94 1.00 -0.63 -0.69 0.00 0.00 174.62 173.51 2bdi s ILE 65 N -0.72 4.46 -0.25 1.82 1.01 -1.04 -2.89 121.20 123.59 2bdi s ILE 65 Ca 0.22 1.97 -0.04 0.00 0.00 0.00 0.00 60.65 62.80 2bdi s ILE 65 Cb -0.13 -4.26 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 2bdi s ILE 65 CO -0.09 0.27 -0.01 -0.83 0.00 0.00 0.00 174.94 174.28 2bdi s GLY 66 N 0.24 1.67 0.21 6.18 0.00 0.03 -1.48 107.32 114.16 2bdi s GLY 66 Ca 0.49 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 43.99 2bdi s GLY 66 CO 0.30 0.51 0.13 1.08 0.00 0.00 0.00 173.10 175.12 2bdi s LEU 67 N 1.47 3.70 -1.76 0.66 1.43 -0.40 -1.33 118.68 122.45 2bdi s LEU 67 Ca 0.04 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 2bdi s LEU 67 Cb -0.15 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2bdi s LEU 67 CO -0.01 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2bdi n GLY 69 N -0.70 1.52 3.96 -3.19 0.00 -1.26 -1.52 105.19 104.01 2bdi n GLY 69 Ca -0.08 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.92 2.95 0.00 0.99 1.43 -1.26 -4.13 118.68 114.75 2bdi s LEU 70 Ca 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2bdi s LEU 70 Cb 0.00 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2bdi s LEU 70 CO 0.00 -1.72 0.00 1.57 0.23 0.00 0.00 176.35 176.43 2bdi n HIS 71 N -2.87 -0.44 -4.25 0.29 -0.00 -1.26 -4.65 115.22 102.04 2bdi n HIS 71 Ca 0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.57 2bdi n HIS 71 Cb 0.60 0.19 -0.08 0.00 -0.00 0.00 0.00 29.99 30.70 2bdi n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2bdi s SER 72 N -2.66 4.51 0.57 0.26 1.04 -1.26 -1.34 113.70 114.82 2bdi s SER 72 Ca 0.00 -0.50 0.35 0.00 0.48 0.00 0.00 55.95 56.28 2bdi s SER 72 Cb 0.00 -0.86 1.60 0.00 0.10 0.00 0.00 66.02 66.86 2bdi s SER 72 CO 0.00 0.09 2.08 -0.07 0.98 0.00 0.00 173.24 176.32 2bdi h LEU 73 N 2.75 0.00 -7.73 2.42 3.38 -1.95 -3.38 115.31 110.80 2bdi h LEU 73 Ca -0.47 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.21 2bdi h LEU 73 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2bdi h LEU 73 CO 0.56 0.04 0.92 -0.62 0.09 0.00 0.00 178.44 179.43 2bdi n GLU 74 N -3.19 0.96 -0.32 1.13 -0.58 -1.26 -4.82 120.64 112.56 2bdi n GLU 74 Ca -0.01 -2.01 0.20 0.00 -0.42 0.00 0.00 57.16 54.92 2bdi n GLU 74 Cb 0.25 -3.59 0.40 0.00 -0.57 0.00 0.00 31.44 27.93 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 10.13 1.63 -0.21 0.62 0.00 -1.95 -1.68 119.26 127.80 2bdi h ALA 74 Ca 0.18 0.24 -0.27 0.00 0.00 0.00 0.00 54.91 55.05 2bdi h ALA 74 Cb 0.90 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2bdi h ALA 74 CO 1.32 -0.60 -0.01 -0.40 0.00 0.00 0.00 179.25 179.56 2bdi n ASP 75 N -5.21 5.76 0.00 0.00 5.75 -1.26 -2.14 116.55 119.45 2bdi n ASP 75 Ca 0.28 -2.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 2bdi n ASP 75 Cb 0.89 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2bdi n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bdi n GLN 76 N 1.64 0.00 -3.96 0.11 6.02 -0.63 -5.05 117.38 115.50 2bdi n GLN 76 Ca 0.38 -0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 57.07 2bdi n GLN 76 Cb 0.71 -0.16 -0.16 0.00 1.02 0.00 0.00 30.24 31.65 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 -0.91 -5.02 118.70 113.95 2bdi s GLU 77 Ca 0.00 -0.66 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 2bdi s GLU 77 Cb 0.00 -2.19 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 2bdi s GLU 77 CO 0.00 -0.39 0.00 -2.30 -0.49 0.00 0.00 175.26 172.08 2bdi n PRO 78 N 4.77 0.00 0.00 0.39 -0.02 -1.26 -2.78 135.00 136.10 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 0.48 -0.19 0.00 0.00 -0.02 0.00 0.00 33.50 33.77 2bdi n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bdi n GLY 79 N 0.00 0.00 3.76 -1.23 0.00 -1.26 -4.74 105.19 101.72 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 -1.49 5.48 -0.12 1.61 1.04 -1.12 -4.74 113.70 114.36 2bdi s SER 80 Ca 0.00 2.55 -0.04 0.00 0.48 0.00 0.00 55.95 58.94 2bdi s SER 80 Cb 0.00 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.55 2bdi s SER 80 CO 0.00 -1.41 0.08 -1.10 0.98 0.00 0.00 173.24 171.80 2bdi s GLN 81 N -2.95 0.01 -1.27 4.02 -0.21 -0.58 -4.99 119.66 113.69 2bdi s GLN 81 Ca 0.71 0.10 -0.14 0.00 0.02 0.00 0.00 55.36 56.05 2bdi s GLN 81 Cb -0.35 -1.32 0.13 0.00 1.00 0.00 0.00 33.01 32.48 2bdi s GLN 81 CO 0.41 -0.54 1.68 -1.33 -2.12 0.00 0.00 175.29 173.38 2bdi n MET 82 N 5.29 3.33 -1.52 2.91 2.81 -1.26 -1.27 117.12 127.41 2bdi n MET 82 Ca -0.05 -3.53 -0.30 0.00 -1.81 0.00 0.00 57.70 52.01 2bdi n MET 82 Cb 0.49 -3.15 0.21 0.00 -0.71 0.00 0.00 33.22 30.06 2bdi n MET 82 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2bdi s VAL 83 N 2.13 1.80 0.10 2.03 -7.23 -0.55 -4.88 120.40 113.80 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 0.03 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 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 -5.66 0.87 0.17 4.82 2.02 -1.26 -2.51 118.70 117.15 2bdi s GLU 84 Ca 0.73 -1.14 -0.20 0.00 0.02 0.00 0.00 54.97 54.37 2bdi s GLU 84 Cb -0.07 -0.62 0.05 0.00 0.10 0.00 0.00 34.13 33.59 2bdi s GLU 84 CO 0.54 0.11 0.56 0.00 0.02 0.00 0.00 175.26 176.49 2bdi s ALA 85 N -2.24 -1.32 0.00 5.21 0.00 -1.06 -1.00 121.76 121.36 2bdi s ALA 85 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2bdi s ALA 85 Cb -0.04 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.92 2bdi s ALA 85 CO 0.01 -0.78 0.00 -1.13 0.00 0.00 0.00 175.76 173.86 2bdi n SER 86 N -0.35 0.00 -4.58 0.00 3.41 -1.26 -1.05 113.62 109.79 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 0.03 1.04 0.20 -1.26 -4.67 118.68 117.95 2bdi s LEU 87 Ca 0.00 0.29 0.09 0.00 0.69 0.00 0.00 54.13 55.19 2bdi s LEU 87 Cb 0.00 -3.24 -0.03 0.00 -0.43 0.00 0.00 46.19 42.49 2bdi s LEU 87 CO 0.00 -1.01 -0.25 -0.94 -0.29 0.00 0.00 176.35 173.86 2bdi s SER 88 N 2.16 3.21 -0.27 3.68 1.04 -1.26 -0.87 113.70 121.40 2bdi s SER 88 Ca 0.38 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.27 2bdi s SER 88 Cb -0.10 -0.33 0.07 0.00 0.10 0.00 0.00 66.02 65.76 2bdi s SER 88 CO 0.24 0.27 -0.01 -0.69 0.98 0.00 0.00 173.24 174.03 2bdi s VAL 89 N -0.78 1.57 0.54 5.02 1.01 0.10 -4.98 120.40 122.89 2bdi s VAL 89 Ca 0.12 -1.47 -0.16 0.00 0.00 0.00 0.00 61.98 60.47 2bdi s VAL 89 Cb -0.10 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 2bdi s VAL 89 CO 0.02 -0.29 1.01 -0.13 0.00 0.00 0.00 175.10 175.71 2bdi s ARG 90 N 1.33 3.74 0.21 2.72 0.52 -1.26 -1.23 118.95 124.98 2bdi s ARG 90 Ca -0.00 1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.94 2bdi s ARG 90 Cb -0.19 -2.10 -0.09 0.00 0.52 0.00 0.00 34.95 33.09 2bdi s ARG 90 CO -0.10 -0.45 1.31 -1.58 0.02 0.00 0.00 175.30 174.50 2bdi s HIS 91 N -2.58 3.24 0.23 -0.53 5.65 -0.83 -4.89 115.29 115.58 2bdi s HIS 91 Ca 0.60 1.24 -0.06 0.00 0.25 0.00 0.00 55.06 57.09 2bdi s HIS 91 Cb -0.12 -3.61 0.39 0.00 -1.18 0.00 0.00 32.58 28.06 2bdi s HIS 91 CO 0.34 -1.88 1.29 -2.30 -0.65 0.00 0.00 174.74 171.54 2bdi n PRO 92 N 2.46 -0.07 -0.44 2.88 -0.02 -1.26 -0.75 135.00 137.80 2bdi n PRO 92 Ca 0.06 1.29 0.06 0.00 -2.02 0.00 0.00 63.50 62.88 2bdi n PRO 92 Cb 0.43 -1.92 0.24 0.00 -0.02 0.00 0.00 33.50 32.22 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 -5.34 2.95 -1.64 -0.52 -0.58 -1.26 -4.97 120.64 109.28 2bdi n GLU 93 Ca 0.13 -1.90 -0.41 0.00 -0.42 0.00 0.00 57.16 54.57 2bdi n GLU 93 Cb 0.42 -1.75 0.02 0.00 -0.57 0.00 0.00 31.44 29.56 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 0.60 1.49 -1.40 -0.32 9.36 0.08 -1.90 117.16 125.06 2bdi n TYR 94 Ca 0.17 0.53 -0.14 0.00 3.32 0.00 0.00 57.90 61.78 2bdi n TYR 94 Cb 0.68 -2.27 -0.06 0.00 -0.63 0.00 0.00 39.34 37.06 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 0.25 -5.64 -3.61 2.98 2.85 0.49 -4.93 115.26 107.65 2bdi n ASN 95 Ca 0.09 0.34 -0.29 0.00 -0.11 0.00 0.00 54.58 54.61 2bdi n ASN 95 Cb 0.40 -4.37 -0.14 0.00 1.24 0.00 0.00 39.78 36.91 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 0.50 1.03 1.20 1.81 -0.80 -2.95 118.95 116.57 2bdi s ARG 96 Ca 0.00 -0.94 -0.14 0.00 -1.72 0.00 0.00 55.73 52.93 2bdi s ARG 96 Cb 0.00 -1.55 0.20 0.00 -0.45 0.00 0.00 34.95 33.15 2bdi s ARG 96 CO 0.00 -1.04 1.12 -2.14 -0.68 0.00 0.00 175.30 172.55 2bdi s PRO 97 N 1.66 0.20 0.04 3.54 0.02 -1.26 -4.86 135.00 134.34 2bdi s PRO 97 Ca 0.11 0.29 -0.37 0.00 0.02 0.00 0.00 61.00 61.05 2bdi s PRO 97 Cb -0.18 -1.73 -0.17 0.00 0.02 0.00 0.00 34.50 32.44 2bdi s PRO 97 CO -0.25 -2.84 1.35 -0.11 -0.33 0.00 0.00 177.00 174.82 2bdi n LEU 98 N -4.21 1.56 0.00 -5.54 7.94 -1.15 -0.35 117.00 115.24 2bdi n LEU 98 Ca 0.07 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 2bdi n LEU 98 Cb 0.58 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.37 2bdi n LEU 98 CO 0.54 -1.07 0.00 0.18 -1.11 0.00 0.00 177.39 175.93 2bdi n LEU 99 N 2.68 0.00 -4.73 -1.96 4.77 -1.26 -4.94 117.00 111.55 2bdi n LEU 99 Ca 0.19 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.88 2bdi n LEU 99 Cb 0.17 -0.06 0.15 0.00 -2.33 0.00 0.00 43.42 41.35 2bdi n LEU 99 CO 0.64 0.00 0.68 0.00 -1.33 0.00 0.00 177.39 177.37 2bdi s ALA 100 N -1.65 1.47 -1.52 -1.18 0.00 0.53 -4.17 121.76 115.24 2bdi s ALA 100 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 2bdi s ALA 100 Cb 0.00 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 20.07 2bdi s ALA 100 CO 0.00 -2.44 0.51 0.09 0.00 0.00 0.00 175.76 173.91 2bdi n ASN 101 N -3.91 -1.23 -2.16 0.00 4.13 -1.26 -0.38 115.26 110.45 2bdi n ASN 101 Ca 0.06 -1.03 -0.13 0.00 1.68 0.00 0.00 54.58 55.15 2bdi n ASN 101 Cb 0.57 -2.81 -0.14 0.00 -1.54 0.00 0.00 39.78 35.85 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 5.09 -4.36 6.41 -0.08 -1.26 -4.23 116.55 115.26 2bdi n ASP 102 Ca -0.18 -2.41 -0.25 0.00 -1.51 0.00 0.00 54.79 50.44 2bdi n ASP 102 Cb 0.62 -1.31 -0.12 0.00 2.34 0.00 0.00 41.12 42.65 2bdi n ASP 102 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 2bdi s LEU 103 N 0.01 2.39 -0.15 -2.67 2.34 -1.26 -2.33 118.68 117.01 2bdi s LEU 103 Ca 0.61 -0.81 -0.10 0.00 0.06 0.00 0.00 54.13 53.90 2bdi s LEU 103 Cb 0.28 -1.01 0.05 0.00 -0.56 0.00 0.00 46.19 44.95 2bdi s LEU 103 CO -0.01 0.07 0.38 -0.32 -1.06 0.00 0.00 176.35 175.41 2bdi s MET 104 N -2.44 0.38 -0.18 1.48 1.75 0.23 -1.96 119.30 118.57 2bdi s MET 104 Ca 0.15 0.67 -0.14 0.00 -1.25 0.00 0.00 55.69 55.12 2bdi s MET 104 Cb -0.08 0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.58 2bdi s MET 104 CO 0.07 -0.13 0.32 -0.51 -0.65 0.00 0.00 175.02 174.13 2bdi s LEU 105 N 1.03 4.21 -0.22 4.11 1.43 -0.37 -0.93 118.68 127.94 2bdi s LEU 105 Ca -0.07 0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 53.47 2bdi s LEU 105 Cb -0.07 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 2bdi s LEU 105 CO -0.08 0.04 0.04 -0.63 0.23 0.00 0.00 176.35 175.95 2bdi s ILE 106 N 0.77 4.21 -0.25 -0.59 1.01 0.82 0.02 121.20 127.20 2bdi s ILE 106 Ca 0.17 -0.22 -0.17 0.00 0.00 0.00 0.00 60.65 60.44 2bdi s ILE 106 Cb -0.14 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2bdi s ILE 106 CO 0.05 0.39 0.46 -0.75 0.00 0.00 0.00 174.94 175.09 2bdi s LYS 107 N 1.21 4.08 0.43 2.79 2.20 -0.05 -0.42 119.74 129.99 2bdi s LYS 107 Ca 0.04 0.24 -0.23 0.00 -0.36 0.00 0.00 55.97 55.65 2bdi s LYS 107 Cb -0.14 -3.63 -0.08 0.00 -1.51 0.00 0.00 37.83 32.47 2bdi s LYS 107 CO 0.02 -0.27 1.10 -0.51 -0.36 0.00 0.00 175.35 175.34 2bdi s LEU 108 N 2.03 4.07 0.06 5.43 1.43 -0.53 -4.08 118.68 127.09 2bdi s LEU 108 Ca 0.19 2.15 -0.34 0.00 -1.03 0.00 0.00 54.13 55.10 2bdi s LEU 108 Cb -0.16 -4.23 -0.18 0.00 0.03 0.00 0.00 46.19 41.65 2bdi s LEU 108 CO 0.09 -0.70 1.52 0.44 0.23 0.00 0.00 176.35 177.93 2bdi h ASP 109 N 2.24 -1.13 -3.39 2.29 3.45 -1.41 -3.40 116.42 115.07 2bdi h ASP 109 Ca -0.49 0.06 -0.65 0.00 0.43 0.00 0.00 57.03 56.38 2bdi h ASP 109 Cb 1.23 0.32 -0.26 0.00 -0.56 0.00 0.00 39.33 40.06 2bdi h ASP 109 CO 0.61 -0.72 -0.71 -0.70 -1.57 0.00 0.00 179.24 176.15 2bdi s GLU 110 N -5.69 3.45 0.28 3.56 2.12 -1.26 -5.09 118.70 116.08 2bdi s GLU 110 Ca -0.18 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.26 2bdi s GLU 110 Cb 0.02 -2.96 -0.14 0.00 0.26 0.00 0.00 34.13 31.32 2bdi s GLU 110 CO 0.55 -0.05 1.16 0.45 -0.54 0.00 0.00 175.26 176.83 2bdi n SER 111 N 4.38 1.92 -4.96 -1.70 2.88 -1.26 -4.96 113.62 109.92 2bdi n SER 111 Ca -0.18 1.18 -0.22 0.00 -1.33 0.00 0.00 58.87 58.32 2bdi n SER 111 Cb 0.51 -1.36 -0.00 0.00 -0.75 0.00 0.00 64.21 62.62 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 -0.82 4.48 -0.30 2.46 -7.23 -0.25 -4.97 120.40 113.76 2bdi s VAL 112 Ca 0.61 -0.72 -0.09 0.00 -1.81 0.00 0.00 61.98 59.97 2bdi s VAL 112 Cb -0.67 -3.61 -0.00 0.00 0.56 0.00 0.00 36.38 32.66 2bdi s VAL 112 CO 0.58 -0.33 0.13 -0.44 -0.31 0.00 0.00 175.10 174.73 2bdi s SER 113 N -4.12 5.41 -0.67 4.85 0.01 -1.26 -4.81 113.70 113.10 2bdi s SER 113 Ca 0.43 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 2bdi s SER 113 Cb -0.10 -1.97 -0.14 0.00 0.21 0.00 0.00 66.02 64.03 2bdi s SER 113 CO 0.34 -0.18 2.49 -0.62 0.41 0.00 0.00 173.24 175.67 2bdi n GLU 114 N 4.95 0.60 -0.10 12.44 1.02 -1.26 -4.91 120.64 133.38 2bdi n GLU 114 Ca -0.14 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2bdi n GLU 114 Cb 0.49 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 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 12.49 0.00 -0.02 1.62 3.41 -0.20 -4.93 113.62 125.99 2bdi n SER 115 Ca 0.50 -0.13 -0.16 0.00 -0.26 0.00 0.00 58.87 58.82 2bdi n SER 115 Cb 0.27 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.41 4.04 -0.00 -1.95 -3.24 116.42 115.77 2bdi h ASP 116 Ca 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 57.03 56.44 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 1.38 0.00 0.35 -0.00 0.00 0.00 179.24 180.97 2bdi n THR 117 N -3.94 0.70 -3.62 2.25 -2.24 -1.26 -4.82 114.28 101.35 2bdi n THR 117 Ca -0.07 -0.85 -0.29 0.00 -2.27 0.00 0.00 64.05 60.57 2bdi n THR 117 Cb 0.73 0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.17 0.49 0.12 2.28 1.01 -1.22 -4.02 121.20 118.68 2bdi s ILE 118 Ca 0.34 -1.38 0.06 0.00 0.00 0.00 0.00 60.65 59.66 2bdi s ILE 118 Cb 0.19 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2bdi s ILE 118 CO 0.26 -0.78 -0.14 -0.60 0.00 0.00 0.00 174.94 173.67 2bdi s ARG 119 N 1.52 1.01 0.45 2.79 3.52 -0.93 -1.03 118.95 126.29 2bdi s ARG 119 Ca 0.12 -1.21 -0.03 0.00 -0.13 0.00 0.00 55.73 54.48 2bdi s ARG 119 Cb -0.19 -0.91 -0.03 0.00 -1.56 0.00 0.00 34.95 32.27 2bdi s ARG 119 CO -0.21 0.18 0.72 -1.54 -0.81 0.00 0.00 175.30 173.64 2bdi s SER 120 N -2.38 6.13 0.20 -2.12 1.04 -1.26 -2.51 113.70 112.80 2bdi s SER 120 Ca 0.08 0.69 0.10 0.00 0.48 0.00 0.00 55.95 57.29 2bdi s SER 120 Cb -0.05 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 2bdi s SER 120 CO 0.03 -0.58 -0.19 -0.51 0.98 0.00 0.00 173.24 172.97 2bdi s ILE 121 N -2.63 2.02 0.13 -1.02 2.07 -0.63 -4.90 121.20 116.24 2bdi s ILE 121 Ca 0.46 -2.07 0.02 0.00 -1.41 0.00 0.00 60.65 57.65 2bdi s ILE 121 Cb -0.10 -2.01 -0.04 0.00 0.13 0.00 0.00 42.46 40.44 2bdi s ILE 121 CO 0.42 -0.34 0.28 -0.94 -1.91 0.00 0.00 174.94 172.45 2bdi s SER 122 N -2.92 6.35 -0.10 4.50 1.04 -1.26 -4.48 113.70 116.84 2bdi s SER 122 Ca 0.20 0.21 -0.21 0.00 0.48 0.00 0.00 55.95 56.64 2bdi s SER 122 Cb -0.05 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 2bdi s SER 122 CO 0.09 0.07 0.60 -0.63 0.98 0.00 0.00 173.24 174.34 2bdi s ILE 123 N -1.70 5.11 0.26 -1.02 1.01 -1.26 -0.72 121.20 122.87 2bdi s ILE 123 Ca 0.35 1.21 -0.31 0.00 0.00 0.00 0.00 60.65 61.91 2bdi s ILE 123 Cb -0.11 -3.94 -0.13 0.00 0.01 0.00 0.00 42.46 38.29 2bdi s ILE 123 CO 0.28 0.28 1.38 0.00 0.00 0.00 0.00 174.94 176.88 2bdi n ALA 124 N 3.80 1.15 0.32 9.38 0.00 0.29 -4.81 120.51 130.65 2bdi n ALA 124 Ca -0.04 0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.91 2bdi n ALA 124 Cb 0.51 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 17.59 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 1.90 0.40 -4.88 0.00 3.41 -1.26 -4.16 113.62 109.04 2bdi n SER 125 Ca 0.10 -0.21 -0.32 0.00 -0.26 0.00 0.00 58.87 58.18 2bdi n SER 125 Cb 0.32 1.41 -0.05 0.00 -0.26 0.00 0.00 64.21 65.63 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 -3.34 3.73 0.28 4.33 0.74 -1.26 -4.88 119.66 119.26 2bdi s GLN 127 Ca -0.02 0.13 -0.11 0.00 0.05 0.00 0.00 55.36 55.41 2bdi s GLN 127 Cb 0.14 -2.74 -0.08 0.00 1.10 0.00 0.00 33.01 31.44 2bdi s GLN 127 CO 0.87 0.38 0.63 0.00 -0.55 0.00 0.00 175.29 176.62 2bdi n PRO 129 N -0.32 0.00 -4.75 0.00 -0.02 -1.26 -4.98 135.00 123.66 2bdi n PRO 129 Ca 0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.17 2bdi n PRO 129 Cb 0.53 -0.90 -0.14 0.00 -0.02 0.00 0.00 33.50 32.97 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 -1.04 3.20 0.32 3.45 -4.23 -1.26 -5.08 115.64 110.99 2bdi s THR 130 Ca 0.57 -0.63 -0.29 0.00 -1.18 0.00 0.00 61.69 60.16 2bdi s THR 130 Cb -0.78 -2.32 -0.12 0.00 1.34 0.00 0.00 72.50 70.62 2bdi s THR 130 CO 0.52 0.54 1.33 0.00 -0.54 0.00 0.00 174.62 176.47 2bdi n ALA 132 N 3.10 1.35 0.00 3.99 0.00 -1.26 -2.15 120.51 125.54 2bdi n ALA 132 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2bdi n ALA 132 Cb 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2bdi n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bdi n GLY 133 N 1.09 2.85 3.73 0.00 0.00 0.62 -4.91 105.19 108.57 2bdi n GLY 133 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2bdi n GLY 133 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bdi n ASN 134 N 0.36 3.47 -4.79 1.61 2.85 -0.91 -4.51 115.26 113.35 2bdi n ASN 134 Ca 0.00 1.18 -0.36 0.00 -0.11 0.00 0.00 54.58 55.30 2bdi n ASN 134 Cb 0.00 -1.56 -0.07 0.00 1.24 0.00 0.00 39.78 39.39 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 0.12 6.28 0.31 1.20 0.15 -1.26 -0.24 113.70 120.26 2bdi s SER 135 Ca 0.60 0.33 0.02 0.00 0.70 0.00 0.00 55.95 57.59 2bdi s SER 135 Cb -0.53 -2.09 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2bdi s SER 135 CO 0.56 0.26 0.07 0.00 1.20 0.00 0.00 173.24 175.33 2bdi s LEU 137 N 0.00 2.27 0.01 0.00 2.96 -0.47 -2.51 118.68 120.94 2bdi s LEU 137 Ca 0.09 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2bdi s LEU 137 Cb 0.00 -0.28 -0.01 0.00 0.50 0.00 0.00 46.19 46.40 2bdi s LEU 137 CO 0.07 -0.17 0.02 0.54 -1.32 0.00 0.00 176.35 175.48 2bdi s VAL 138 N -1.41 0.09 0.04 1.68 0.11 -0.67 -0.64 120.40 119.60 2bdi s VAL 138 Ca -0.07 -0.73 -0.05 0.00 -2.93 0.00 0.00 61.98 58.21 2bdi s VAL 138 Cb -0.10 -0.27 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 2bdi s VAL 138 CO 0.01 -0.40 0.08 -0.94 -3.33 0.00 0.00 175.10 170.52 2bdi s SER 139 N -1.22 0.21 0.00 3.54 1.04 -1.22 -1.53 113.70 114.52 2bdi s SER 139 Ca -0.13 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2bdi s SER 139 Cb -0.08 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2bdi s SER 139 CO -0.00 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2bdi n GLY 140 N 0.69 0.26 1.46 7.32 0.00 -0.31 -4.27 105.19 110.34 2bdi n GLY 140 Ca -0.18 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 44.90 2bdi n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bdi n TRP 141 N -0.41 1.54 -0.91 1.61 8.01 -1.26 -1.60 117.44 124.42 2bdi n TRP 141 Ca 0.00 -0.74 -0.30 0.00 -1.31 0.00 0.00 57.50 55.15 2bdi n TRP 141 Cb 0.00 -0.38 0.24 0.00 -2.01 0.00 0.00 31.31 29.16 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 -1.19 1.54 0.48 6.99 0.00 -1.22 -4.28 107.32 109.64 2bdi s GLY 142 Ca 0.49 -0.70 -0.22 0.00 0.00 0.00 0.00 44.72 44.29 2bdi s GLY 142 CO 0.15 0.13 0.90 1.04 0.00 0.00 0.00 173.10 175.33 2bdi n LEU 143 N -4.81 2.39 -5.00 0.66 4.32 0.14 -3.13 117.00 111.57 2bdi n LEU 143 Ca 0.10 0.94 -0.19 0.00 -0.02 0.00 0.00 56.01 56.84 2bdi n LEU 143 Cb 0.58 -1.32 0.03 0.00 -1.62 0.00 0.00 43.42 41.10 2bdi n LEU 143 CO 0.49 -1.87 0.26 -0.76 -1.22 0.00 0.00 177.39 174.29 2bdi s LEU 144 N -0.49 3.44 0.57 2.23 1.43 0.11 -1.69 118.68 124.27 2bdi s LEU 144 Ca 0.66 -0.38 0.31 0.00 -1.03 0.00 0.00 54.13 53.70 2bdi s LEU 144 Cb -0.52 -2.52 1.45 0.00 0.03 0.00 0.00 46.19 44.63 2bdi s LEU 144 CO 0.55 -1.01 1.82 0.00 0.23 0.00 0.00 176.35 177.94 2bdi h ALA 145 N 0.36 2.68 -0.19 4.21 0.00 -1.87 0.81 119.26 125.26 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 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2bdi h ALA 145 CO 0.46 -1.11 0.00 0.27 0.00 0.00 0.00 179.25 178.87 2bdi n ASN 146 N -3.93 1.46 -0.53 0.00 0.23 -1.26 -4.88 115.26 106.35 2bdi n ASN 146 Ca 0.17 -1.77 -0.07 0.00 -0.53 0.00 0.00 54.58 52.38 2bdi n ASN 146 Cb 0.98 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 38.53 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 1.04 0.90 3.54 4.83 0.00 0.28 -5.00 105.19 110.79 2bdi n GLY 147 Ca 0.14 -0.60 -0.28 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 -2.42 1.98 0.10 1.61 3.00 -1.25 -4.75 118.95 117.22 2bdi s ARG 150 Ca 0.00 -1.17 -0.27 0.00 -1.00 0.00 0.00 55.73 53.29 2bdi s ARG 150 Cb 0.00 -2.18 -0.06 0.00 0.00 0.00 0.00 34.95 32.71 2bdi s ARG 150 CO 0.00 0.47 0.84 -1.64 0.00 0.00 0.00 175.30 174.97 2bdi s MET 151 N -2.43 4.59 0.73 5.12 -1.94 -1.26 0.06 119.30 124.17 2bdi s MET 151 Ca 0.22 1.22 -0.11 0.00 -1.71 0.00 0.00 55.69 55.31 2bdi s MET 151 Cb -0.10 -3.35 0.03 0.00 2.01 0.00 0.00 34.83 33.42 2bdi s MET 151 CO 0.13 0.32 1.08 -1.25 -0.01 0.00 0.00 175.02 175.30 2bdi s PRO 152 N -0.29 2.68 -0.01 2.03 0.04 -1.26 -4.95 135.00 133.24 2bdi s PRO 152 Ca 0.41 0.65 0.16 0.00 0.04 0.00 0.00 61.00 62.26 2bdi s PRO 152 Cb -0.22 -1.98 -0.19 0.00 0.04 0.00 0.00 34.50 32.14 2bdi s PRO 152 CO 0.26 -1.21 0.67 0.25 0.04 0.00 0.00 177.00 177.01 2bdi n THR 153 N -3.16 1.33 -4.41 1.26 -2.24 -1.26 -4.95 114.28 100.86 2bdi n THR 153 Ca 0.07 -0.74 -0.20 0.00 -2.27 0.00 0.00 64.05 60.90 2bdi n THR 153 Cb 0.56 -0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.77 1.46 0.23 2.28 -7.23 -1.26 -3.86 120.40 109.25 2bdi s VAL 154 Ca -0.04 -2.09 -0.31 0.00 -1.81 0.00 0.00 61.98 57.72 2bdi s VAL 154 Cb 0.08 -2.47 -0.12 0.00 0.56 0.00 0.00 36.38 34.43 2bdi s VAL 154 CO 0.82 -0.27 1.66 -0.11 -0.31 0.00 0.00 175.10 176.89 2bdi n LEU 155 N -0.56 4.00 -4.92 1.32 7.94 -0.45 -4.85 117.00 119.48 2bdi n LEU 155 Ca -0.05 1.10 -0.29 0.00 -1.11 0.00 0.00 56.01 55.66 2bdi n LEU 155 Cb 0.64 -1.56 -0.04 0.00 0.53 0.00 0.00 43.42 42.99 2bdi n LEU 155 CO 0.39 0.10 -0.13 -1.10 -1.11 0.00 0.00 177.39 175.54 2bdi s GLN 156 N 0.51 3.40 -0.01 1.96 -1.52 -0.63 -0.87 119.66 122.51 2bdi s GLN 156 Ca 0.71 -0.54 0.05 0.00 -1.95 0.00 0.00 55.36 53.64 2bdi s GLN 156 Cb -0.52 -2.98 -0.01 0.00 -0.22 0.00 0.00 33.01 29.27 2bdi s GLN 156 CO 0.39 0.56 -0.16 0.00 -0.25 0.00 0.00 175.29 175.84 2bdi s VAL 158 N -0.41 0.01 -0.09 0.00 0.11 -0.58 -0.87 120.40 118.56 2bdi s VAL 158 Ca 0.06 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.05 2bdi s VAL 158 Cb -0.06 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 2bdi s VAL 158 CO -0.00 -0.03 -0.04 0.20 -3.33 0.00 0.00 175.10 171.90 2bdi s ASN 159 N -2.24 4.91 0.01 3.54 -0.87 -1.26 -1.67 114.94 117.35 2bdi s ASN 159 Ca -0.03 0.03 -0.02 0.00 -1.57 0.00 0.00 52.86 51.26 2bdi s ASN 159 Cb -0.01 -1.40 -0.01 0.00 -0.02 0.00 0.00 41.25 39.81 2bdi s ASN 159 CO -0.05 0.33 0.03 0.68 -2.57 0.00 0.00 177.10 175.52 2bdi s VAL 160 N -0.63 0.09 0.12 1.60 -7.23 -1.05 -4.87 120.40 108.44 2bdi s VAL 160 Ca 0.10 -0.75 0.03 0.00 -1.81 0.00 0.00 61.98 59.55 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 -0.41 0.16 -0.44 -0.31 0.00 0.00 175.10 174.12 2bdi s SER 161 N -1.28 5.84 0.33 4.85 0.01 -1.26 -1.17 113.70 121.02 2bdi s SER 161 Ca -0.14 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 2bdi s SER 161 Cb -0.08 -1.64 -0.10 0.00 0.21 0.00 0.00 66.02 64.40 2bdi s SER 161 CO -0.00 0.12 1.33 -0.69 0.41 0.00 0.00 173.24 174.40 2bdi s VAL 162 N -1.59 2.67 0.09 3.43 1.01 0.67 0.24 120.40 126.92 2bdi s VAL 162 Ca 0.32 0.66 -0.00 0.00 0.00 0.00 0.00 61.98 62.96 2bdi s VAL 162 Cb -0.11 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2bdi s VAL 162 CO 0.25 0.15 0.25 -0.69 0.00 0.00 0.00 175.10 175.06 2bdi s VAL 163 N -1.04 5.34 0.67 2.92 1.01 -0.67 -0.28 120.40 128.36 2bdi s VAL 163 Ca 0.50 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 2bdi s VAL 163 Cb -0.40 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2bdi s VAL 163 CO 0.53 0.07 1.18 -0.94 0.00 0.00 0.00 175.10 175.94 2bdi s SER 164 N -2.68 4.75 0.20 3.32 1.04 -1.26 -4.63 113.70 114.44 2bdi s SER 164 Ca 0.36 2.29 -0.11 0.00 0.48 0.00 0.00 55.95 58.97 2bdi s SER 164 Cb -0.12 -2.58 0.21 0.00 0.10 0.00 0.00 66.02 63.62 2bdi s SER 164 CO 0.28 -1.88 1.79 -0.08 0.98 0.00 0.00 173.24 174.32 2bdi h GLU 165 N 0.20 0.55 0.47 4.02 4.81 -1.97 0.93 114.58 123.58 2bdi h GLU 165 Ca -0.48 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2bdi h GLU 165 Cb 1.29 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2bdi h GLU 165 CO 0.53 0.36 -0.51 1.49 -0.73 0.00 0.00 179.01 180.14 2bdi h GLU 166 N 0.56 -0.96 -0.75 1.92 4.81 -1.99 0.43 114.58 118.60 2bdi h GLU 166 Ca 0.27 0.07 0.18 0.00 -0.13 0.00 0.00 59.36 59.75 2bdi h GLU 166 Cb 0.21 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2bdi h GLU 166 CO -0.20 -0.64 0.52 0.28 -0.73 0.00 0.00 179.01 178.24 2bdi h VAL 167 N -0.99 0.70 -0.34 0.32 2.07 -1.81 -1.16 116.25 115.04 2bdi h VAL 167 Ca -0.06 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 2bdi h VAL 167 Cb 0.87 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2bdi h VAL 167 CO -0.09 0.04 -0.34 0.00 0.02 0.00 0.00 177.57 177.20 2bdi h SER 169 N 0.60 0.13 -0.04 0.00 4.64 0.37 -2.95 113.55 116.30 2bdi h SER 169 Ca 0.05 -0.14 -0.25 0.00 -0.47 0.00 0.00 61.79 60.98 2bdi h SER 169 Cb 0.92 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.99 2bdi h SER 169 CO 0.08 1.11 -0.97 0.11 -0.87 0.00 0.00 176.83 176.29 2bdi h LYS 170 N 0.02 0.72 0.00 4.77 1.57 -1.04 0.22 116.57 122.84 2bdi h LYS 170 Ca -0.06 -0.73 -0.02 0.00 -1.87 0.00 0.00 60.65 57.98 2bdi h LYS 170 Cb 1.84 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 34.34 2bdi h LYS 170 CO 0.15 1.31 -0.07 -0.07 -0.57 0.00 0.00 179.45 180.20 2bdi h LEU 171 N 0.42 0.00 -2.57 2.94 3.38 -0.86 -3.10 115.31 115.52 2bdi h LEU 171 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2bdi h LEU 171 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2bdi h LEU 171 CO 0.19 0.07 0.00 -1.22 0.09 0.00 0.00 178.44 177.58 2bdi n TYR 172 N -3.59 0.00 -1.66 1.13 4.01 -1.12 -5.01 117.16 110.92 2bdi n TYR 172 Ca -0.02 -0.40 -0.43 0.00 -0.16 0.00 0.00 57.90 56.89 2bdi n TYR 172 Cb 0.19 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.17 2bdi n TYR 172 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2bdi n ASP 173 N -0.40 2.28 -1.20 7.72 -0.08 0.77 -0.78 116.55 124.87 2bdi n ASP 173 Ca 0.00 1.20 0.11 0.00 -1.51 0.00 0.00 54.79 54.59 2bdi n ASP 173 Cb 0.25 -1.42 0.29 0.00 2.34 0.00 0.00 41.12 42.58 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 0.65 2.51 0.09 -0.67 -0.04 -1.26 -4.83 135.00 131.44 2bdi n PRO 174 Ca 0.06 -2.34 0.12 0.00 -0.04 0.00 0.00 63.50 61.31 2bdi n PRO 174 Cb 0.35 -1.51 0.45 0.00 -0.04 0.00 0.00 33.50 32.75 2bdi n PRO 174 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2bdi n LEU 175 N 1.42 0.54 -4.75 1.53 4.77 0.04 -4.88 117.00 115.66 2bdi n LEU 175 Ca 0.22 0.60 -0.41 0.00 -0.03 0.00 0.00 56.01 56.39 2bdi n LEU 175 Cb 0.56 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2bdi n LEU 175 CO 0.15 -0.35 0.87 -0.47 -1.33 0.00 0.00 177.39 176.26 2bdi s TYR 176 N -3.17 3.41 0.13 -1.77 6.14 -0.62 -4.87 117.35 116.60 2bdi s TYR 176 Ca 0.07 1.53 0.02 0.00 0.64 0.00 0.00 57.07 59.34 2bdi s TYR 176 Cb 0.11 -3.42 -0.04 0.00 0.42 0.00 0.00 41.96 39.03 2bdi s TYR 176 CO 0.45 -1.07 -0.05 -1.58 0.64 0.00 0.00 175.55 173.93 2bdi s HIS 177 N -0.74 1.09 -1.29 4.97 2.46 -1.26 -4.94 115.29 115.58 2bdi s HIS 177 Ca 0.49 -0.91 0.05 0.00 0.47 0.00 0.00 55.06 55.16 2bdi s HIS 177 Cb -0.34 -0.61 0.25 0.00 -0.13 0.00 0.00 32.58 31.75 2bdi s HIS 177 CO 0.42 -0.11 1.06 -2.30 -2.47 0.00 0.00 174.74 171.34 2bdi n PRO 178 N -0.15 0.05 -0.65 2.88 -0.02 -1.26 -1.31 135.00 134.54 2bdi n PRO 178 Ca -0.10 0.30 0.04 0.00 -2.02 0.00 0.00 63.50 61.71 2bdi n PRO 178 Cb 0.61 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.87 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 -1.36 4.30 -4.00 2.55 3.41 -1.26 -4.77 113.62 112.48 2bdi n SER 179 Ca 0.02 -2.69 -0.09 0.00 -0.26 0.00 0.00 58.87 55.85 2bdi n SER 179 Cb 0.05 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.28 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 -2.25 1.06 0.06 4.33 0.23 -0.43 -1.11 119.30 121.19 2bdi s MET 180 Ca 0.39 -1.23 -0.19 0.00 -1.03 0.00 0.00 55.69 53.63 2bdi s MET 180 Cb 0.30 0.34 0.04 0.00 -1.53 0.00 0.00 34.83 33.97 2bdi s MET 180 CO 0.11 -0.36 0.44 -0.59 -2.03 0.00 0.00 175.02 172.59 2bdi s PHE 181 N -3.98 -0.30 -0.01 3.16 -0.12 -0.09 -4.70 117.98 111.94 2bdi s PHE 181 Ca 0.18 0.24 -0.01 0.00 -0.05 0.00 0.00 56.93 57.29 2bdi s PHE 181 Cb 0.05 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 2bdi s PHE 181 CO -0.01 -0.61 0.11 0.00 -0.05 0.00 0.00 175.22 174.66 2bdi s ALA 183 N -1.23 -0.87 0.00 0.00 0.00 -0.91 -1.66 121.76 117.09 2bdi s ALA 183 Ca 0.24 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2bdi s ALA 183 Cb -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.55 2bdi s ALA 183 CO 0.15 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.13 2bdi n GLY 184 N 2.55 0.31 2.03 0.00 0.00 0.14 -2.32 105.19 107.90 2bdi n GLY 184 Ca -0.15 -1.35 -0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 0.48 3.91 -0.02 0.00 -1.26 -4.53 105.19 103.77 2bdi n GLY 185 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.13 1.73 0.45 -0.02 0.00 -1.26 -0.44 107.32 105.66 2bdi s GLY 186 Ca 0.00 -1.07 0.23 0.00 0.00 0.00 0.00 44.72 43.88 2bdi s GLY 186 CO 0.00 -0.36 1.90 -1.61 0.00 0.00 0.00 173.10 173.03 2bdi h GLN 186 N -1.57 0.00 0.00 2.90 5.75 -1.94 -2.55 115.11 117.69 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 1.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.81 2bdi h GLN 186 CO 0.44 0.22 0.00 -0.40 -2.65 0.00 0.00 178.83 176.44 2bdi n ASP 186 N -3.56 0.00 -3.76 -0.69 3.85 -1.26 -4.84 116.55 106.30 2bdi n ASP 186 Ca -0.01 -0.49 -0.29 0.00 -0.71 0.00 0.00 54.79 53.29 2bdi n ASP 186 Cb 0.37 -0.01 0.01 0.00 -1.35 0.00 0.00 41.12 40.15 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 -4.76 -3.47 0.11 6.02 -0.96 -4.96 117.38 108.36 2bdi n GLN 187 Ca 0.12 0.57 -0.37 0.00 -0.01 0.00 0.00 57.00 57.31 2bdi n GLN 187 Cb 0.06 -5.41 -0.07 0.00 1.02 0.00 0.00 30.24 25.84 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 -6.45 4.28 0.08 -1.09 1.02 -1.26 -4.43 119.74 111.88 2bdi s LYS 188 Ca 0.59 0.20 -0.27 0.00 0.02 0.00 0.00 55.97 56.51 2bdi s LYS 188 Cb -0.30 -3.43 0.09 0.00 -0.52 0.00 0.00 37.83 33.67 2bdi s LYS 188 CO 0.73 0.21 1.11 0.34 -0.92 0.00 0.00 175.35 176.82 2bdi s ASP 189 N 0.54 -0.12 0.86 2.83 2.15 -1.00 -4.20 116.67 117.73 2bdi s ASP 189 Ca 0.19 -0.29 -0.07 0.00 0.43 0.00 0.00 52.55 52.81 2bdi s ASP 189 Cb -0.14 0.34 0.14 0.00 -0.30 0.00 0.00 42.92 42.97 2bdi s ASP 189 CO 0.06 -0.63 0.89 -1.20 -0.17 0.00 0.00 175.17 174.12 2bdi n SER 190 N -0.49 0.46 -3.60 -0.34 7.64 -1.26 0.11 113.62 116.14 2bdi n SER 190 Ca -0.07 -1.56 -0.05 0.00 1.01 0.00 0.00 58.87 58.20 2bdi n SER 190 Cb 0.62 -0.65 -0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 -0.72 0.99 0.00 0.00 4.13 -1.26 -1.43 115.26 116.96 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 -1.07 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 2bdi n ASN 192 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bdi n GLY 193 N 2.19 0.28 0.71 7.41 0.00 -1.26 -0.68 105.19 113.83 2bdi n GLY 193 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 2.56 -4.66 1.61 8.00 -0.52 -3.41 116.55 120.13 2bdi n ASP 194 Ca 0.00 -1.74 -0.42 0.00 0.71 0.00 0.00 54.79 53.33 2bdi n ASP 194 Cb 0.00 -0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.03 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 0.92 2.14 0.00 -2.24 7.64 -1.26 -0.31 113.62 120.51 2bdi n SER 195 Ca 0.11 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2bdi n SER 195 Cb 0.42 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 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 0.94 1.65 3.68 0.23 0.00 0.31 -1.54 105.19 110.46 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 0.29 -0.02 0.00 0.57 -3.64 107.32 104.15 2bdi s GLY 197 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 44.72 44.61 2bdi s GLY 197 CO 0.00 0.57 0.77 2.56 0.00 0.00 0.00 173.10 177.00 2bdi s PRO 198 N -4.80 4.18 -0.28 2.90 0.04 -1.26 -0.13 135.00 135.64 2bdi s PRO 198 Ca 0.65 0.85 0.01 0.00 0.04 0.00 0.00 61.00 62.54 2bdi s PRO 198 Cb -0.20 -2.62 0.08 0.00 0.04 0.00 0.00 34.50 31.80 2bdi s PRO 198 CO 0.58 0.25 0.02 -1.17 0.04 0.00 0.00 177.00 176.72 2bdi s LEU 199 N -2.51 2.79 -0.00 -3.56 2.96 -0.06 -3.41 118.68 114.89 2bdi s LEU 199 Ca 0.50 -1.49 -0.13 0.00 -0.22 0.00 0.00 54.13 52.79 2bdi s LEU 199 Cb -0.13 -1.12 -0.05 0.00 0.50 0.00 0.00 46.19 45.38 2bdi s LEU 199 CO 0.19 -0.33 0.38 -0.63 -1.32 0.00 0.00 176.35 174.64 2bdi s ILE 200 N 1.40 5.09 -0.13 6.68 -1.09 0.19 -0.07 121.20 133.27 2bdi s ILE 200 Ca 0.03 0.71 -0.04 0.00 -2.23 0.00 0.00 60.65 59.13 2bdi s ILE 200 Cb -0.18 -3.67 0.06 0.00 -1.58 0.00 0.00 42.46 37.09 2bdi s ILE 200 CO -0.13 0.54 0.15 0.00 -1.23 0.00 0.00 174.94 174.28 2bdi n ASN 202 N 5.31 -1.52 0.00 0.00 5.03 -1.26 -2.28 115.26 120.54 2bdi n ASN 202 Ca -0.05 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.66 2bdi n ASN 202 Cb 0.50 -4.47 0.00 0.00 -1.02 0.00 0.00 39.78 34.79 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 -1.41 0.24 3.65 7.41 0.00 -1.26 -5.00 105.19 108.82 2bdi n GLY 203 Ca -0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.58 2.82 -0.47 1.61 1.51 -0.97 -4.71 117.35 115.56 2bdi s TYR 208 Ca 0.00 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.63 2bdi s TYR 208 Cb 0.00 -1.37 0.02 0.00 -0.11 0.00 0.00 41.96 40.50 2bdi s TYR 208 CO 0.00 0.51 1.27 -1.17 -1.11 0.00 0.00 175.55 175.05 2bdi s LEU 209 N -2.89 3.58 -0.19 -1.29 2.96 0.10 -0.69 118.68 120.26 2bdi s LEU 209 Ca 0.27 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 2bdi s LEU 209 Cb -0.09 -3.48 -0.21 0.00 0.50 0.00 0.00 46.19 42.91 2bdi s LEU 209 CO 0.18 -1.38 0.07 1.67 -1.32 0.00 0.00 176.35 175.57 2bdi n GLN 210 N 8.05 0.69 -3.83 1.98 -0.06 0.90 -0.54 117.38 124.57 2bdi n GLN 210 Ca 0.13 0.18 -0.09 0.00 -2.00 0.00 0.00 57.00 55.22 2bdi n GLN 210 Cb 0.49 -1.60 0.02 0.00 -4.06 0.00 0.00 30.24 25.08 2bdi n GLN 210 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2bdi s GLY 211 N -5.99 0.44 0.03 1.69 0.00 -0.83 -2.99 107.32 99.67 2bdi s GLY 211 Ca -0.26 -0.79 0.08 0.00 0.00 0.00 0.00 44.72 43.75 2bdi s GLY 211 CO 0.70 -0.35 -0.23 1.08 0.00 0.00 0.00 173.10 174.30 2bdi s LEU 212 N -3.08 2.14 -0.16 0.66 1.43 -1.20 -0.89 118.68 117.59 2bdi s LEU 212 Ca 0.16 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 2bdi s LEU 212 Cb -0.05 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 2bdi s LEU 212 CO 0.12 0.22 1.96 -0.69 0.23 0.00 0.00 176.35 178.19 2bdi s VAL 213 N -0.73 3.23 0.00 -1.59 1.01 0.81 -1.12 120.40 122.01 2bdi s VAL 213 Ca 0.09 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2bdi s VAL 213 Cb -0.09 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2bdi s VAL 213 CO 0.01 -0.11 0.00 -0.24 0.00 0.00 0.00 175.10 174.76 2bdi n SER 214 N 9.61 0.00 -2.63 3.32 2.88 -0.97 0.12 113.62 125.94 2bdi n SER 214 Ca 0.24 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.68 2bdi n SER 214 Cb 0.44 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 63.64 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 -2.12 -1.97 0.00 0.66 1.16 -1.10 -4.87 117.46 109.22 2bdi n PHE 215 Ca 0.00 -1.78 0.00 0.00 -1.87 0.00 0.00 57.45 53.80 2bdi n PHE 215 Cb 0.00 0.73 0.00 0.00 -1.61 0.00 0.00 39.48 38.60 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 0.75 3.70 4.97 0.00 -1.26 0.68 105.19 113.55 2bdi n GLY 216 Ca -0.05 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 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 1.49 0.08 1.61 1.02 -1.26 -5.02 119.74 115.66 2bdi s LYS 217 Ca 0.00 1.56 0.08 0.00 0.02 0.00 0.00 55.97 57.63 2bdi s LYS 217 Cb 0.00 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.50 2bdi s LYS 217 CO 0.00 -2.28 -0.21 0.00 -0.92 0.00 0.00 175.35 171.94 2bdi s ALA 218 N -2.50 1.80 1.06 5.17 0.00 -1.26 -3.96 121.76 122.08 2bdi s ALA 218 Ca 0.68 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.32 2bdi s ALA 218 Cb -0.24 -0.29 0.22 0.00 0.00 0.00 0.00 23.12 22.82 2bdi s ALA 218 CO 0.54 0.38 1.11 -1.25 0.00 0.00 0.00 175.76 176.54 2bdi s PRO 219 N -1.62 -0.10 0.57 0.00 0.04 -1.26 -5.11 135.00 127.51 2bdi s PRO 219 Ca 0.07 0.24 -0.18 0.00 0.04 0.00 0.00 61.00 61.17 2bdi s PRO 219 Cb -0.10 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2bdi s PRO 219 CO 0.03 -3.03 1.12 0.00 0.04 0.00 0.00 177.00 175.16 2bdi n GLY 220 N -0.03 -0.10 3.79 0.00 0.00 -1.26 -4.99 105.19 102.60 2bdi n GLY 220 Ca 0.11 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.66 4.44 0.27 1.61 -0.21 -1.26 -4.60 119.66 115.25 2bdi s GLN 221 Ca 0.02 1.04 -0.30 0.00 0.02 0.00 0.00 55.36 56.14 2bdi s GLN 221 Cb -0.01 -3.11 -0.10 0.00 1.00 0.00 0.00 33.01 30.80 2bdi s GLN 221 CO 0.03 0.50 1.38 0.08 -2.12 0.00 0.00 175.29 175.16 2bdi s VAL 222 N -1.30 2.73 0.00 1.09 1.01 -1.26 -2.13 120.40 120.54 2bdi s VAL 222 Ca 0.38 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2bdi s VAL 222 Cb -0.20 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2bdi s VAL 222 CO 0.24 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.07 2bdi n GLY 223 N 1.74 0.71 2.78 4.51 0.00 0.42 -4.95 105.19 110.40 2bdi n GLY 223 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2bdi n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bdi s VAL 224 N -2.93 1.76 0.85 1.61 1.01 -0.90 -5.02 120.40 116.78 2bdi s VAL 224 Ca 0.00 -2.81 -0.11 0.00 0.00 0.00 0.00 61.98 59.06 2bdi s VAL 224 Cb 0.00 -2.23 0.10 0.00 0.00 0.00 0.00 36.38 34.26 2bdi s VAL 224 CO 0.00 -0.87 1.09 -2.16 0.00 0.00 0.00 175.10 173.16 2bdi s PRO 225 N 0.13 1.61 0.43 2.72 0.04 -1.26 -4.34 135.00 134.33 2bdi s PRO 225 Ca 0.18 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 2bdi s PRO 225 Cb -0.24 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2bdi s PRO 225 CO -0.00 -2.03 0.66 0.20 0.04 0.00 0.00 177.00 175.87 2bdi s GLY 226 N -3.40 1.47 -0.09 0.56 0.00 -0.98 -4.67 107.32 100.21 2bdi s GLY 226 Ca 0.63 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 44.44 2bdi s GLY 226 CO 0.57 -0.73 0.07 0.14 0.00 0.00 0.00 173.10 173.14 2bdi s VAL 227 N -2.53 4.85 0.04 1.40 1.01 0.22 -2.14 120.40 123.26 2bdi s VAL 227 Ca 0.45 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2bdi s VAL 227 Cb -0.10 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2bdi s VAL 227 CO 0.39 0.60 -0.10 -0.31 0.00 0.00 0.00 175.10 175.68 2bdi s TYR 228 N -0.97 0.85 0.11 5.22 1.51 0.79 -2.30 117.35 122.57 2bdi s TYR 228 Ca 0.15 -0.43 -0.31 0.00 -1.01 0.00 0.00 57.07 55.47 2bdi s TYR 228 Cb -0.12 -0.50 -0.08 0.00 -0.11 0.00 0.00 41.96 41.16 2bdi s TYR 228 CO 0.04 -0.03 1.39 0.99 -1.11 0.00 0.00 175.55 176.83 2bdi s THR 229 N -1.15 3.32 -1.28 -0.71 2.01 -0.28 -0.92 115.64 116.64 2bdi s THR 229 Ca -0.05 0.94 -0.16 0.00 0.31 0.00 0.00 61.69 62.72 2bdi s THR 229 Cb -0.09 -3.60 0.11 0.00 0.01 0.00 0.00 72.50 68.92 2bdi s THR 229 CO 0.01 0.07 1.66 -3.20 -0.69 0.00 0.00 174.62 172.47 2bdi n ASN 230 N 4.00 5.00 -0.15 3.53 5.15 -0.27 -3.23 115.26 129.28 2bdi n ASN 230 Ca 0.12 -2.94 0.23 0.00 -0.60 0.00 0.00 54.58 51.38 2bdi n ASN 230 Cb 0.42 -1.68 0.64 0.00 -0.53 0.00 0.00 39.78 38.63 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 11.41 0.15 0.00 1.20 3.38 -1.85 0.11 115.31 129.70 2bdi h LEU 231 Ca 0.41 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2bdi h LEU 231 Cb 0.86 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2bdi h LEU 231 CO 1.41 0.06 0.00 0.00 0.09 0.00 0.00 178.44 180.00 2bdi n LYS 233 N -1.32 0.02 -0.37 0.00 4.76 0.37 -4.35 118.16 117.27 2bdi n LYS 233 Ca 0.01 -0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 2bdi n LYS 233 Cb 0.01 -1.50 0.17 0.00 -1.84 0.00 0.00 35.03 31.87 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 -1.53 0.00 0.35 2.13 3.72 0.21 -4.80 117.46 117.55 2bdi n PHE 234 Ca 0.04 -1.25 -0.18 0.00 -0.05 0.00 0.00 57.45 56.01 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 0.65 0.15 -0.69 4.37 1.35 -1.75 0.43 112.91 117.42 2bdi h THR 235 Ca -0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 2bdi h THR 235 Cb 1.01 0.15 -0.10 0.00 -1.73 0.00 0.00 68.15 67.48 2bdi h THR 235 CO 0.00 0.00 0.14 -0.08 -0.25 0.00 0.00 175.52 175.33 2bdi h GLU 236 N -1.00 0.24 -0.17 4.72 4.81 -1.94 0.16 114.58 121.40 2bdi h GLU 236 Ca -0.08 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2bdi h GLU 236 Cb 0.82 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2bdi h GLU 236 CO 0.06 0.16 0.06 2.35 -0.73 0.00 0.00 179.01 180.91 2bdi h TRP 237 N 0.25 0.27 -0.72 0.92 7.01 -1.83 -0.46 115.95 121.39 2bdi h TRP 237 Ca 0.38 -0.03 0.10 0.00 2.11 0.00 0.00 58.89 61.46 2bdi h TRP 237 Cb 0.62 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.56 2bdi h TRP 237 CO -0.27 0.36 0.47 0.82 -2.79 0.00 0.00 178.44 177.03 2bdi h ILE 238 N 0.11 0.91 0.33 2.65 2.04 0.99 -2.40 117.51 122.14 2bdi h ILE 238 Ca 0.06 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2bdi h ILE 238 Cb 0.21 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2bdi h ILE 238 CO -0.00 0.11 -0.16 -0.08 0.00 0.00 0.00 178.15 178.01 2bdi h GLU 239 N 0.58 -0.43 -0.65 2.37 4.57 -0.19 -1.63 114.58 119.20 2bdi h GLU 239 Ca 0.33 0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.73 2bdi h GLU 239 Cb 0.52 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 2bdi h GLU 239 CO -0.11 -0.29 0.76 -0.22 -1.18 0.00 0.00 179.01 177.97 2bdi h LYS 240 N -0.95 0.00 0.00 1.92 3.64 -1.02 0.23 116.57 120.39 2bdi h LYS 240 Ca -0.05 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2bdi h LYS 240 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2bdi h LYS 240 CO 0.07 0.00 -0.46 1.15 -2.27 0.00 0.00 179.45 177.95 2bdi h THR 241 N 0.00 0.37 -0.68 1.00 2.02 -1.42 -3.13 112.91 111.07 2bdi h THR 241 Ca 0.31 -1.37 0.07 0.00 0.77 0.00 0.00 66.41 66.20 2bdi h THR 241 Cb 1.83 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.96 2bdi h THR 241 CO -0.00 0.12 0.35 0.58 0.37 0.00 0.00 175.52 176.94 2bdi h VAL 242 N -1.00 0.90 0.00 3.16 2.07 -0.33 -3.36 116.25 117.70 2bdi h VAL 242 Ca -0.07 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2bdi h VAL 242 Cb 0.58 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2bdi h VAL 242 CO -0.04 0.11 0.00 1.67 0.02 0.00 0.00 177.57 179.33 2bdi n GLN 243 N -4.83 0.00 0.00 1.57 -0.06 -0.02 -5.10 117.38 108.94 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 0.22 -0.05 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