#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 4.48 -1.24 1.39 -1.09 0.14 -4.03 121.20 120.85 2bdi s ILE 17 Ca 0.00 -0.13 -0.05 0.00 -2.23 0.00 0.00 60.65 58.25 2bdi s ILE 17 Cb 0.00 -3.05 0.01 0.00 -1.58 0.00 0.00 42.46 37.83 2bdi s ILE 17 CO 0.00 0.40 1.06 0.59 -1.23 0.00 0.00 174.94 175.76 2bdi n ASN 18 N 4.26 -4.26 0.00 3.58 5.03 -1.26 -2.28 115.26 120.33 2bdi n ASN 18 Ca -0.16 -0.56 0.00 0.00 0.87 0.00 0.00 54.58 54.73 2bdi n ASN 18 Cb 0.52 -4.92 0.00 0.00 -1.02 0.00 0.00 39.78 34.36 2bdi n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bdi n GLY 19 N -1.57 7.47 3.31 7.41 0.00 -1.26 -4.82 105.19 115.73 2bdi n GLY 19 Ca -0.13 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 2bdi n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bdi s GLU 20 N 1.14 1.13 0.02 1.61 2.02 -0.79 -4.92 118.70 118.91 2bdi s GLU 20 Ca 0.00 -1.24 -0.35 0.00 0.02 0.00 0.00 54.97 53.40 2bdi s GLU 20 Cb 0.00 0.35 -0.13 0.00 0.10 0.00 0.00 34.13 34.45 2bdi s GLU 20 CO 0.00 -0.40 1.69 -0.25 0.02 0.00 0.00 175.26 176.32 2bdi n ASP 21 N -0.20 3.05 -4.88 -0.19 9.92 -1.26 -0.73 116.55 122.25 2bdi n ASP 21 Ca -0.06 1.04 -0.27 0.00 -0.53 0.00 0.00 54.79 54.97 2bdi n ASP 21 Cb 0.63 -1.36 0.08 0.00 -0.64 0.00 0.00 41.12 39.83 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 -4.55 6.34 -0.39 0.00 0.15 -1.26 -4.78 113.70 109.21 2bdi s SER 23 Ca 0.61 2.07 -0.39 0.00 0.70 0.00 0.00 55.95 58.94 2bdi s SER 23 Cb -0.10 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.51 2bdi s SER 23 CO 0.46 -1.22 1.32 -2.65 1.20 0.00 0.00 173.24 172.35 2bdi n PRO 24 N 7.65 0.00 -1.58 5.44 -0.02 -1.26 0.65 135.00 145.88 2bdi n PRO 24 Ca 0.20 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.55 2bdi n PRO 24 Cb 0.44 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.59 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 3.23 -0.14 0.61 6.00 8.25 -1.26 -4.89 115.22 127.03 2bdi n HIS 25 Ca 0.26 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.84 2bdi n HIS 25 Cb -0.04 -2.54 0.45 0.00 1.12 0.00 0.00 29.99 28.98 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 -0.27 0.62 -3.38 0.41 3.41 0.21 -3.97 113.62 110.65 2bdi n SER 26 Ca -0.14 0.58 -0.26 0.00 -0.26 0.00 0.00 58.87 58.79 2bdi n SER 26 Cb 0.48 -0.74 -0.08 0.00 -0.26 0.00 0.00 64.21 63.61 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 -2.11 1.74 0.00 4.33 1.13 -1.26 -4.97 117.38 116.24 2bdi n GLN 27 Ca 0.05 -4.09 0.01 0.00 -1.94 0.00 0.00 57.00 51.03 2bdi n GLN 27 Cb 0.35 -1.88 0.04 0.00 0.11 0.00 0.00 30.24 28.87 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 1.23 0.00 0.00 -1.09 -0.04 -1.25 -1.62 135.00 132.23 2bdi n PRO 28 Ca 0.26 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.33 2bdi n PRO 28 Cb 0.45 -1.51 0.33 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.52 0.00 -2.10 0.54 2.14 -1.07 -2.38 117.44 113.05 2bdi n TRP 29 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2bdi n TRP 29 Cb 0.02 -0.18 -0.03 0.00 -0.81 0.00 0.00 31.31 30.31 2bdi n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2bdi s GLN 30 N -2.72 4.29 -0.11 -2.67 2.00 -0.64 -1.16 119.66 118.64 2bdi s GLN 30 Ca 0.19 2.15 0.02 0.00 -2.00 0.00 0.00 55.36 55.72 2bdi s GLN 30 Cb 0.18 -3.23 -0.00 0.00 0.80 0.00 0.00 33.01 30.76 2bdi s GLN 30 CO 0.60 -0.49 -0.20 0.00 -0.50 0.00 0.00 175.29 174.70 2bdi s ALA 31 N 1.14 2.33 -0.11 1.58 0.00 -0.24 -4.32 121.76 122.14 2bdi s ALA 31 Ca 0.66 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 2bdi s ALA 31 Cb -0.39 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 2bdi s ALA 31 CO 0.30 0.26 0.22 0.00 0.00 0.00 0.00 175.76 176.54 2bdi s ALA 32 N 0.37 3.78 -0.31 0.00 0.00 -0.56 0.16 121.76 125.21 2bdi s ALA 32 Ca -0.16 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 2bdi s ALA 32 Cb -0.17 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 20.84 2bdi s ALA 32 CO 0.07 0.47 0.06 -0.51 0.00 0.00 0.00 175.76 175.85 2bdi s LEU 33 N -0.69 3.95 0.08 0.00 1.02 -0.95 -1.06 118.68 121.03 2bdi s LEU 33 Ca 0.16 -0.99 0.08 0.00 0.02 0.00 0.00 54.13 53.40 2bdi s LEU 33 Cb -0.13 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 2bdi s LEU 33 CO 0.05 -0.25 -0.17 0.68 0.02 0.00 0.00 176.35 176.69 2bdi s VAL 34 N 1.40 2.90 0.00 -1.59 -7.23 -1.15 -1.50 120.40 113.22 2bdi s VAL 34 Ca -0.01 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 2bdi s VAL 34 Cb -0.18 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.48 2bdi s VAL 34 CO 0.01 0.22 0.00 0.23 -0.31 0.00 0.00 175.10 175.26 2bdi n MET 35 N 1.17 3.73 -0.22 4.82 2.81 0.94 -3.77 117.12 126.60 2bdi n MET 35 Ca -0.16 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.68 2bdi n MET 35 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.98 2bdi n MET 35 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2bdi n GLU 36 N 0.00 -0.23 -0.48 0.03 4.71 -1.26 -3.57 120.64 119.84 2bdi n GLU 36 Ca 0.00 0.80 0.00 0.00 -0.01 0.00 0.00 57.16 57.95 2bdi n GLU 36 Cb 0.00 -1.18 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 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 -4.66 0.00 -4.15 1.62 4.13 -1.26 -5.13 115.26 105.81 2bdi n ASN 37 Ca 0.01 -1.17 -0.10 0.00 1.68 0.00 0.00 54.58 55.00 2bdi n ASN 37 Cb 0.14 -0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.25 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 0.80 0.06 3.52 2.12 -1.23 -5.12 118.70 118.85 2bdi s GLU 38 Ca 0.00 -1.33 -0.26 0.00 0.36 0.00 0.00 54.97 53.74 2bdi s GLU 38 Cb 0.00 -0.07 -0.06 0.00 0.26 0.00 0.00 34.13 34.26 2bdi s GLU 38 CO 0.00 -0.07 0.81 -1.17 -0.54 0.00 0.00 175.26 174.30 2bdi s LEU 40 N -3.02 4.46 0.00 2.70 1.98 -1.26 -0.04 118.68 123.49 2bdi s LEU 40 Ca 0.12 1.53 0.00 0.00 -2.89 0.00 0.00 54.13 52.89 2bdi s LEU 40 Cb 0.06 -3.32 0.00 0.00 0.66 0.00 0.00 46.19 43.59 2bdi s LEU 40 CO -0.05 -0.00 0.00 2.22 -1.89 0.00 0.00 176.35 176.62 2bdi n PHE 41 N 2.80 0.00 -3.39 5.38 -1.74 -0.56 -4.94 117.46 115.01 2bdi n PHE 41 Ca -0.01 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.87 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 -1.38 0.82 0.33 0.00 0.01 -0.48 -2.24 113.70 110.76 2bdi s SER 43 Ca 0.03 -1.51 -0.08 0.00 1.31 0.00 0.00 55.95 55.70 2bdi s SER 43 Cb -0.01 0.50 0.01 0.00 0.21 0.00 0.00 66.02 66.74 2bdi s SER 43 CO 0.01 -1.01 0.55 -0.83 0.41 0.00 0.00 173.24 172.38 2bdi s GLY 44 N -3.24 0.98 -0.08 3.44 0.00 0.12 -4.13 107.32 104.42 2bdi s GLY 44 Ca 0.37 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.94 2bdi s GLY 44 CO 0.19 -0.74 -0.11 0.14 0.00 0.00 0.00 173.10 172.58 2bdi s VAL 45 N -3.11 1.12 -0.53 1.40 1.01 0.30 -1.08 120.40 119.51 2bdi s VAL 45 Ca 0.25 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 2bdi s VAL 45 Cb -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 2bdi s VAL 45 CO 0.15 0.36 1.76 -0.22 0.00 0.00 0.00 175.10 177.16 2bdi s LEU 46 N 0.92 3.37 0.00 3.92 2.96 -0.31 0.19 118.68 129.73 2bdi s LEU 46 Ca -0.10 0.59 0.19 0.00 -0.22 0.00 0.00 54.13 54.59 2bdi s LEU 46 Cb -0.15 -2.89 0.27 0.00 0.50 0.00 0.00 46.19 43.92 2bdi s LEU 46 CO 0.01 -2.08 1.20 1.33 -1.32 0.00 0.00 176.35 175.49 2bdi n VAL 47 N 7.21 0.32 -3.56 1.68 0.24 -0.92 -1.53 118.33 121.77 2bdi n VAL 47 Ca 0.20 -0.66 -0.07 0.00 -2.04 0.00 0.00 64.34 61.76 2bdi n VAL 47 Cb 0.50 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 33.95 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 -1.38 -0.26 0.36 6.34 5.65 -1.17 -4.73 115.29 120.10 2bdi s HIS 48 Ca 0.28 0.24 0.10 0.00 0.25 0.00 0.00 55.06 55.92 2bdi s HIS 48 Cb 0.17 0.51 0.86 0.00 -1.18 0.00 0.00 32.58 32.94 2bdi s HIS 48 CO 0.25 -0.36 1.83 -1.35 -0.65 0.00 0.00 174.74 174.46 2bdi h PRO 49 N 2.11 0.63 -0.18 2.88 0.11 -1.92 -2.71 132.00 132.91 2bdi h PRO 49 Ca -0.16 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 2bdi h PRO 49 Cb 1.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2bdi h PRO 49 CO 0.28 0.41 -0.05 0.94 -0.21 0.00 0.00 178.00 179.37 2bdi n GLN 50 N -4.61 2.14 -3.77 1.05 7.27 -1.26 -1.65 117.38 116.56 2bdi n GLN 50 Ca 0.20 -2.86 -0.15 0.00 0.07 0.00 0.00 57.00 54.26 2bdi n GLN 50 Cb 0.57 -1.72 -0.16 0.00 2.41 0.00 0.00 30.24 31.34 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 -2.95 -0.02 -0.18 3.69 0.52 -1.02 -1.31 118.94 117.66 2bdi s TRP 51 Ca 0.39 0.21 -0.01 0.00 0.02 0.00 0.00 56.10 56.71 2bdi s TRP 51 Cb 0.34 -0.19 -0.00 0.00 -1.15 0.00 0.00 33.47 32.46 2bdi s TRP 51 CO 0.04 -0.11 -0.12 0.08 0.02 0.00 0.00 176.95 176.87 2bdi s VAL 52 N 1.06 2.89 0.15 4.03 1.01 0.35 -2.17 120.40 127.71 2bdi s VAL 52 Ca -0.09 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 2bdi s VAL 52 Cb -0.12 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 2bdi s VAL 52 CO -0.04 0.49 0.64 -0.22 0.00 0.00 0.00 175.10 175.98 2bdi s LEU 53 N 1.07 4.44 0.00 3.92 2.96 0.13 -0.06 118.68 131.14 2bdi s LEU 53 Ca -0.00 1.33 -0.12 0.00 -0.22 0.00 0.00 54.13 55.12 2bdi s LEU 53 Cb -0.15 -3.24 0.05 0.00 0.50 0.00 0.00 46.19 43.35 2bdi s LEU 53 CO -0.03 0.16 0.64 -0.24 -1.32 0.00 0.00 176.35 175.56 2bdi n SER 54 N 1.21 -1.70 -4.70 3.68 2.88 0.08 0.11 113.62 115.18 2bdi n SER 54 Ca -0.06 -2.13 -0.40 0.00 -1.33 0.00 0.00 58.87 54.94 2bdi n SER 54 Cb 0.51 2.82 -0.05 0.00 -0.75 0.00 0.00 64.21 66.74 2bdi n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bdi s ALA 55 N -1.82 3.39 0.44 -1.46 0.00 -1.26 0.51 121.76 121.56 2bdi s ALA 55 Ca 0.13 0.06 0.26 0.00 0.00 0.00 0.00 51.96 52.41 2bdi s ALA 55 Cb -0.04 -3.00 1.29 0.00 0.00 0.00 0.00 23.12 21.38 2bdi s ALA 55 CO 0.08 -0.25 1.73 0.00 0.00 0.00 0.00 175.76 177.33 2bdi h ALA 56 N 6.94 2.58 0.00 0.00 0.00 -1.59 0.85 119.26 128.04 2bdi h ALA 56 Ca -0.38 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2bdi h ALA 56 Cb 1.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2bdi h ALA 56 CO 0.77 -1.04 0.00 -2.39 0.00 0.00 0.00 179.25 176.59 2bdi n HIS 57 N -4.54 0.00 0.75 0.00 1.44 -1.26 -2.14 115.22 109.47 2bdi n HIS 57 Ca 0.29 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.08 2bdi n HIS 57 Cb 1.12 -0.04 -0.07 0.00 0.12 0.00 0.00 29.99 31.13 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 -1.02 -0.42 -4.16 0.00 7.35 -0.91 -5.01 117.46 113.30 2bdi n PHE 59 Ca 0.04 0.92 -0.15 0.00 -0.76 0.00 0.00 57.45 57.50 2bdi n PHE 59 Cb 0.28 -1.85 -0.07 0.00 0.35 0.00 0.00 39.48 38.19 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 -0.90 1.64 0.06 -4.13 -1.52 -1.26 -5.05 119.66 108.50 2bdi s GLN 60 Ca 0.61 -1.73 0.12 0.00 -1.95 0.00 0.00 55.36 52.41 2bdi s GLN 60 Cb -0.89 0.37 -0.17 0.00 -0.22 0.00 0.00 33.01 32.10 2bdi s GLN 60 CO 0.53 -0.63 0.97 -0.91 -0.25 0.00 0.00 175.29 175.00 2bdi h ASN 61 N 2.26 0.00 -4.06 5.90 2.35 -1.95 -3.46 115.58 116.63 2bdi h ASN 61 Ca -0.29 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.35 2bdi h ASN 61 Cb 1.24 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.38 2bdi h ASN 61 CO 0.41 0.86 -0.20 -0.94 -1.65 0.00 0.00 177.43 175.91 2bdi s SER 62 N -6.27 -0.43 0.23 5.81 1.04 -1.26 -4.59 113.70 108.23 2bdi s SER 62 Ca -0.02 0.77 0.11 0.00 0.48 0.00 0.00 55.95 57.29 2bdi s SER 62 Cb 0.09 0.80 -0.05 0.00 0.10 0.00 0.00 66.02 66.96 2bdi s SER 62 CO 0.81 -0.20 -0.19 -0.31 0.98 0.00 0.00 173.24 174.33 2bdi s TYR 63 N -0.01 2.37 -0.63 5.02 1.51 -0.24 -5.01 117.35 120.36 2bdi s TYR 63 Ca -0.02 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 2bdi s TYR 63 Cb -0.03 -1.10 0.15 0.00 -0.11 0.00 0.00 41.96 40.87 2bdi s TYR 63 CO 0.01 0.60 0.40 0.99 -1.11 0.00 0.00 175.55 176.44 2bdi s THR 64 N -2.06 2.72 0.08 -0.71 2.01 -1.25 -2.52 115.64 113.91 2bdi s THR 64 Ca 0.26 -3.87 -0.30 0.00 0.31 0.00 0.00 61.69 58.09 2bdi s THR 64 Cb -0.07 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 2bdi s THR 64 CO 0.13 -0.93 1.03 -0.63 -0.69 0.00 0.00 174.62 173.54 2bdi s ILE 65 N -0.97 4.43 -0.26 1.82 1.01 -1.05 -2.94 121.20 123.25 2bdi s ILE 65 Ca 0.22 1.88 -0.06 0.00 0.00 0.00 0.00 60.65 62.69 2bdi s ILE 65 Cb -0.13 -4.20 -0.00 0.00 0.01 0.00 0.00 42.46 38.13 2bdi s ILE 65 CO -0.10 0.22 0.03 -0.83 0.00 0.00 0.00 174.94 174.26 2bdi s GLY 66 N 0.50 1.71 0.21 6.18 0.00 -0.22 -1.69 107.32 114.01 2bdi s GLY 66 Ca 0.51 -1.29 0.06 0.00 0.00 0.00 0.00 44.72 44.01 2bdi s GLY 66 CO 0.30 0.54 0.17 1.08 0.00 0.00 0.00 173.10 175.19 2bdi s LEU 67 N 1.51 3.82 -1.46 0.66 1.43 -0.59 -1.49 118.68 122.56 2bdi s LEU 67 Ca 0.04 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2bdi s LEU 67 Cb -0.16 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.68 2bdi s LEU 67 CO 0.00 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2bdi n GLY 69 N -0.77 1.39 3.94 -3.19 0.00 -1.26 -1.83 105.19 103.48 2bdi n GLY 69 Ca -0.08 -0.19 -0.26 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 -3.13 2.81 0.00 0.99 1.43 -1.26 -4.18 118.68 115.34 2bdi s LEU 70 Ca 0.00 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 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 -1.89 0.00 1.57 0.23 0.00 0.00 176.35 176.26 2bdi n HIS 71 N -3.10 -0.27 -4.30 0.29 -0.00 -1.26 -4.65 115.22 101.93 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 0.10 -0.09 0.00 -0.00 0.00 0.00 29.99 30.61 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 -2.24 4.25 0.55 0.26 1.04 -1.26 -1.54 113.70 114.76 2bdi s SER 72 Ca 0.00 -0.62 0.32 0.00 0.48 0.00 0.00 55.95 56.13 2bdi s SER 72 Cb 0.00 -0.71 1.54 0.00 0.10 0.00 0.00 66.02 66.95 2bdi s SER 72 CO 0.00 0.08 2.07 -0.07 0.98 0.00 0.00 173.24 176.30 2bdi h LEU 73 N 2.70 0.00 -7.74 2.42 3.38 -1.95 -3.38 115.31 110.74 2bdi h LEU 73 Ca -0.46 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.24 2bdi h LEU 73 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2bdi h LEU 73 CO 0.55 0.07 0.85 -0.62 0.09 0.00 0.00 178.44 179.39 2bdi n GLU 74 N -3.32 0.88 -0.32 1.13 -0.58 -1.26 -4.80 120.64 112.37 2bdi n GLU 74 Ca -0.01 -1.97 0.21 0.00 -0.42 0.00 0.00 57.16 54.96 2bdi n GLU 74 Cb 0.25 -3.59 0.41 0.00 -0.57 0.00 0.00 31.44 27.94 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 10.25 1.67 -0.17 0.62 0.00 -1.95 -1.82 119.26 127.86 2bdi h ALA 74 Ca 0.17 0.24 -0.21 0.00 0.00 0.00 0.00 54.91 55.10 2bdi h ALA 74 Cb 0.90 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2bdi h ALA 74 CO 1.31 -0.62 -0.01 -0.40 0.00 0.00 0.00 179.25 179.53 2bdi n ASP 75 N -5.22 5.69 0.00 0.00 5.75 -1.26 -2.07 116.55 119.44 2bdi n ASP 75 Ca 0.29 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 2bdi n ASP 75 Cb 0.92 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 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 1.59 0.00 -3.95 0.11 6.02 -0.68 -5.05 117.38 115.42 2bdi n GLN 76 Ca 0.30 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.98 2bdi n GLN 76 Cb 0.68 -0.14 -0.16 0.00 1.02 0.00 0.00 30.24 31.64 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 1.81 0.00 -1.09 0.41 -0.88 -5.02 118.70 113.93 2bdi s GLU 77 Ca 0.00 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.87 2bdi s GLU 77 Cb 0.00 -2.23 0.00 0.00 -1.78 0.00 0.00 34.13 30.12 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 -2.87 135.00 136.00 2bdi n PRO 78 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2bdi n PRO 78 Cb 0.47 -0.19 0.00 0.00 -0.02 0.00 0.00 33.50 33.76 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 -0.37 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 -1.47 5.31 -0.13 1.61 1.04 -1.14 -4.74 113.70 114.18 2bdi s SER 80 Ca 0.00 2.51 -0.04 0.00 0.48 0.00 0.00 55.95 58.90 2bdi s SER 80 Cb 0.00 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.56 2bdi s SER 80 CO 0.00 -1.52 0.12 -1.10 0.98 0.00 0.00 173.24 171.72 2bdi s GLN 81 N -3.11 0.05 -1.26 4.02 -0.21 -0.76 -4.99 119.66 113.40 2bdi s GLN 81 Ca 0.74 0.22 -0.14 0.00 0.02 0.00 0.00 55.36 56.20 2bdi s GLN 81 Cb -0.34 -1.07 0.14 0.00 1.00 0.00 0.00 33.01 32.74 2bdi s GLN 81 CO 0.38 -0.51 1.63 -1.33 -2.12 0.00 0.00 175.29 173.34 2bdi n MET 82 N 5.30 3.36 -1.41 2.91 2.81 -1.26 -1.54 117.12 127.29 2bdi n MET 82 Ca -0.05 -3.61 -0.30 0.00 -1.81 0.00 0.00 57.70 51.93 2bdi n MET 82 Cb 0.50 -3.11 0.21 0.00 -0.71 0.00 0.00 33.22 30.10 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 1.90 1.79 0.10 2.03 -7.23 -0.68 -4.89 120.40 113.41 2bdi s VAL 83 Ca 0.44 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.66 2bdi s VAL 83 Cb 0.02 -2.69 -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 -5.53 0.86 0.17 4.82 2.02 -1.26 -2.52 118.70 117.27 2bdi s GLU 84 Ca 0.71 -1.13 -0.22 0.00 0.02 0.00 0.00 54.97 54.35 2bdi s GLU 84 Cb -0.09 -0.61 0.06 0.00 0.10 0.00 0.00 34.13 33.59 2bdi s GLU 84 CO 0.55 0.10 0.59 0.00 0.02 0.00 0.00 175.26 176.52 2bdi s ALA 85 N -2.23 -1.43 0.00 5.21 0.00 -1.05 -0.96 121.76 121.31 2bdi s ALA 85 Ca 0.05 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.28 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 0.01 -0.79 0.00 -1.13 0.00 0.00 0.00 175.76 173.85 2bdi n SER 86 N -0.37 0.00 -4.58 0.00 3.41 -1.26 -1.08 113.62 109.74 2bdi n SER 86 Ca -0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.03 2bdi n SER 86 Cb 0.64 0.00 -0.04 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 -0.11 3.98 0.02 1.04 0.20 -1.26 -4.67 118.68 117.88 2bdi s LEU 87 Ca 0.00 0.30 0.09 0.00 0.69 0.00 0.00 54.13 55.20 2bdi s LEU 87 Cb 0.00 -3.24 -0.02 0.00 -0.43 0.00 0.00 46.19 42.49 2bdi s LEU 87 CO 0.00 -1.00 -0.26 -0.94 -0.29 0.00 0.00 176.35 173.87 2bdi s SER 88 N 2.15 3.04 -0.27 3.68 1.04 -1.26 -0.60 113.70 121.47 2bdi s SER 88 Ca 0.38 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 56.29 2bdi s SER 88 Cb -0.10 -0.30 0.08 0.00 0.10 0.00 0.00 66.02 65.79 2bdi s SER 88 CO 0.24 0.27 -0.02 -0.69 0.98 0.00 0.00 173.24 174.03 2bdi s VAL 89 N -0.72 1.69 0.58 5.02 1.01 0.75 -4.99 120.40 123.75 2bdi s VAL 89 Ca 0.11 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.37 2bdi s VAL 89 Cb -0.10 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2bdi s VAL 89 CO 0.01 -0.29 1.03 -0.13 0.00 0.00 0.00 175.10 175.72 2bdi s ARG 90 N 1.27 3.49 0.23 2.72 0.52 -1.26 -1.65 118.95 124.27 2bdi s ARG 90 Ca -0.00 1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 55.96 2bdi s ARG 90 Cb -0.19 -2.06 -0.09 0.00 0.52 0.00 0.00 34.95 33.13 2bdi s ARG 90 CO -0.09 -0.66 1.29 -1.58 0.02 0.00 0.00 175.30 174.28 2bdi s HIS 91 N -2.65 3.24 0.25 -0.53 5.65 -0.84 -4.91 115.29 115.50 2bdi s HIS 91 Ca 0.61 1.29 -0.06 0.00 0.25 0.00 0.00 55.06 57.15 2bdi s HIS 91 Cb -0.13 -3.60 0.45 0.00 -1.18 0.00 0.00 32.58 28.12 2bdi s HIS 91 CO 0.39 -1.78 1.39 -2.30 -0.65 0.00 0.00 174.74 171.79 2bdi n PRO 92 N 2.17 -0.08 -0.33 2.88 -0.02 -1.26 -0.80 135.00 137.56 2bdi n PRO 92 Ca 0.04 1.38 0.05 0.00 -2.02 0.00 0.00 63.50 62.96 2bdi n PRO 92 Cb 0.43 -2.08 0.19 0.00 -0.02 0.00 0.00 33.50 32.01 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 -5.43 2.45 -1.66 -0.52 -0.58 -1.26 -4.97 120.64 108.66 2bdi n GLU 93 Ca 0.15 -1.50 -0.41 0.00 -0.42 0.00 0.00 57.16 54.99 2bdi n GLU 93 Cb 0.48 -1.60 0.02 0.00 -0.57 0.00 0.00 31.44 29.77 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 0.47 1.63 -1.45 -0.32 9.36 0.02 -1.86 117.16 125.01 2bdi n TYR 94 Ca 0.14 0.51 -0.16 0.00 3.32 0.00 0.00 57.90 61.71 2bdi n TYR 94 Cb 0.53 -2.29 -0.07 0.00 -0.63 0.00 0.00 39.34 36.88 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 -5.44 -3.63 2.98 2.85 0.26 -4.93 115.26 107.46 2bdi n ASN 95 Ca 0.09 0.39 -0.29 0.00 -0.11 0.00 0.00 54.58 54.65 2bdi n ASN 95 Cb 0.41 -4.43 -0.15 0.00 1.24 0.00 0.00 39.78 36.85 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 -3.32 0.44 1.04 1.20 1.81 -0.78 -2.65 118.95 116.69 2bdi s ARG 96 Ca 0.00 -0.80 -0.13 0.00 -1.72 0.00 0.00 55.73 53.09 2bdi s ARG 96 Cb 0.00 -1.55 0.21 0.00 -0.45 0.00 0.00 34.95 33.16 2bdi s ARG 96 CO 0.00 -1.01 1.08 -2.14 -0.68 0.00 0.00 175.30 172.55 2bdi s PRO 97 N 1.86 0.09 -0.04 3.54 0.02 -1.26 -4.87 135.00 134.34 2bdi s PRO 97 Ca 0.09 0.55 -0.39 0.00 0.02 0.00 0.00 61.00 61.28 2bdi s PRO 97 Cb -0.17 -1.69 -0.18 0.00 0.02 0.00 0.00 34.50 32.48 2bdi s PRO 97 CO -0.31 -2.97 1.36 -0.11 -0.33 0.00 0.00 177.00 174.64 2bdi n LEU 98 N -4.35 1.34 0.00 -5.54 7.94 -1.09 -0.63 117.00 114.68 2bdi n LEU 98 Ca 0.05 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 2bdi n LEU 98 Cb 0.57 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 43.42 2bdi n LEU 98 CO 0.57 -1.13 0.00 0.18 -1.11 0.00 0.00 177.39 175.90 2bdi n LEU 99 N 2.88 0.00 -4.78 -1.96 4.77 -1.26 -4.96 117.00 111.69 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 0.13 -0.13 0.13 0.00 -2.33 0.00 0.00 43.42 41.23 2bdi n LEU 99 CO 0.67 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 177.44 2bdi s ALA 100 N -1.84 1.79 -1.53 -1.18 0.00 0.20 -4.20 121.76 115.00 2bdi s ALA 100 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 2bdi s ALA 100 Cb 0.00 -3.05 0.05 0.00 0.00 0.00 0.00 23.12 20.12 2bdi s ALA 100 CO 0.00 -2.23 0.46 0.09 0.00 0.00 0.00 175.76 174.07 2bdi n ASN 101 N -3.74 -0.99 -2.22 0.00 4.13 -1.26 -0.57 115.26 110.60 2bdi n ASN 101 Ca 0.06 -1.06 -0.15 0.00 1.68 0.00 0.00 54.58 55.11 2bdi n ASN 101 Cb 0.59 -2.68 -0.14 0.00 -1.54 0.00 0.00 39.78 36.01 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 5.40 -4.40 6.41 -0.08 -1.26 -4.22 116.55 115.54 2bdi n ASP 102 Ca -0.19 -2.43 -0.26 0.00 -1.51 0.00 0.00 54.79 50.39 2bdi n ASP 102 Cb 0.63 -1.35 -0.12 0.00 2.34 0.00 0.00 41.12 42.62 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 0.02 2.42 -0.14 -2.67 2.34 -1.26 -2.41 118.68 116.98 2bdi s LEU 103 Ca 0.63 -0.85 -0.10 0.00 0.06 0.00 0.00 54.13 53.88 2bdi s LEU 103 Cb 0.28 -1.10 0.05 0.00 -0.56 0.00 0.00 46.19 44.85 2bdi s LEU 103 CO -0.01 0.10 0.35 -0.32 -1.06 0.00 0.00 176.35 175.41 2bdi s MET 104 N -2.61 0.36 -0.17 1.48 1.75 0.18 -1.98 119.30 118.32 2bdi s MET 104 Ca 0.19 0.60 -0.15 0.00 -1.25 0.00 0.00 55.69 55.08 2bdi s MET 104 Cb -0.08 0.05 -0.04 0.00 2.84 0.00 0.00 34.83 37.60 2bdi s MET 104 CO 0.09 -0.11 0.33 -0.51 -0.65 0.00 0.00 175.02 174.16 2bdi s LEU 105 N 0.85 4.22 -0.23 4.11 1.43 -0.66 -0.74 118.68 127.67 2bdi s LEU 105 Ca -0.05 0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 53.51 2bdi s LEU 105 Cb -0.06 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2bdi s LEU 105 CO -0.06 0.05 0.05 -0.63 0.23 0.00 0.00 176.35 175.99 2bdi s ILE 106 N 0.69 4.24 -0.25 -0.59 1.01 0.92 -0.18 121.20 127.04 2bdi s ILE 106 Ca 0.18 -0.20 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 2bdi s ILE 106 Cb -0.14 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 2bdi s ILE 106 CO 0.05 0.37 0.51 -0.75 0.00 0.00 0.00 174.94 175.13 2bdi s LYS 107 N 1.34 4.10 0.41 2.79 2.20 0.24 -0.50 119.74 130.31 2bdi s LYS 107 Ca 0.05 0.34 -0.24 0.00 -0.36 0.00 0.00 55.97 55.76 2bdi s LYS 107 Cb -0.15 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.46 2bdi s LYS 107 CO 0.03 -0.30 1.09 -0.51 -0.36 0.00 0.00 175.35 175.29 2bdi s LEU 108 N 2.14 4.13 0.07 5.43 1.43 -0.43 -3.98 118.68 127.47 2bdi s LEU 108 Ca 0.22 2.13 -0.32 0.00 -1.03 0.00 0.00 54.13 55.12 2bdi s LEU 108 Cb -0.16 -4.16 -0.17 0.00 0.03 0.00 0.00 46.19 41.74 2bdi s LEU 108 CO 0.09 -0.58 1.50 0.44 0.23 0.00 0.00 176.35 178.02 2bdi h ASP 109 N 2.47 -1.14 -3.43 2.29 3.45 -1.39 -3.40 116.42 115.26 2bdi h ASP 109 Ca -0.48 0.07 -0.65 0.00 0.43 0.00 0.00 57.03 56.40 2bdi h ASP 109 Cb 1.22 0.35 -0.25 0.00 -0.56 0.00 0.00 39.33 40.09 2bdi h ASP 109 CO 0.62 -0.65 -0.69 -0.70 -1.57 0.00 0.00 179.24 176.25 2bdi s GLU 110 N -5.56 3.50 0.24 3.56 2.12 -1.26 -5.08 118.70 116.22 2bdi s GLU 110 Ca -0.16 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.29 2bdi s GLU 110 Cb 0.03 -3.04 -0.14 0.00 0.26 0.00 0.00 34.13 31.23 2bdi s GLU 110 CO 0.53 -0.09 1.16 0.45 -0.54 0.00 0.00 175.26 176.77 2bdi n SER 111 N 4.52 1.69 -4.95 -1.70 2.88 -1.26 -4.96 113.62 109.85 2bdi n SER 111 Ca -0.18 1.16 -0.23 0.00 -1.33 0.00 0.00 58.87 58.29 2bdi n SER 111 Cb 0.51 -1.30 -0.01 0.00 -0.75 0.00 0.00 64.21 62.66 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 -0.56 4.82 -0.31 2.46 -7.23 -0.66 -4.96 120.40 113.97 2bdi s VAL 112 Ca 0.65 -0.52 -0.10 0.00 -1.81 0.00 0.00 61.98 60.21 2bdi s VAL 112 Cb -0.73 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 32.44 2bdi s VAL 112 CO 0.55 -0.48 0.15 -0.44 -0.31 0.00 0.00 175.10 174.57 2bdi s SER 113 N -4.08 5.57 -0.69 4.85 0.01 -1.26 -4.81 113.70 113.28 2bdi s SER 113 Ca 0.42 -0.49 -0.29 0.00 1.31 0.00 0.00 55.95 56.90 2bdi s SER 113 Cb -0.10 -2.01 -0.14 0.00 0.21 0.00 0.00 66.02 63.98 2bdi s SER 113 CO 0.36 -0.18 2.51 -0.62 0.41 0.00 0.00 173.24 175.72 2bdi n GLU 114 N 4.99 0.59 -0.23 12.44 1.02 -1.26 -4.90 120.64 133.28 2bdi n GLU 114 Ca -0.14 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2bdi n GLU 114 Cb 0.49 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 2bdi n GLU 114 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2bdi n SER 115 N 12.91 0.00 -0.03 1.62 3.41 -0.45 -4.93 113.62 126.16 2bdi n SER 115 Ca 0.50 -0.34 -0.17 0.00 -0.26 0.00 0.00 58.87 58.60 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 0.91 -0.55 4.04 -0.00 -1.95 -3.21 116.42 115.65 2bdi h ASP 116 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 57.03 56.41 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 -3.99 0.88 -3.56 2.25 -2.24 -1.26 -4.81 114.28 101.56 2bdi n THR 117 Ca -0.07 -0.94 -0.29 0.00 -2.27 0.00 0.00 64.05 60.47 2bdi n THR 117 Cb 0.72 0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.08 0.36 0.12 2.28 1.01 -1.21 -4.03 121.20 118.65 2bdi s ILE 118 Ca 0.39 -1.52 0.06 0.00 0.00 0.00 0.00 60.65 59.59 2bdi s ILE 118 Cb 0.21 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2bdi s ILE 118 CO 0.28 -0.86 -0.15 -0.60 0.00 0.00 0.00 174.94 173.61 2bdi s ARG 119 N 1.34 1.05 0.41 2.79 3.52 -1.00 -1.34 118.95 125.71 2bdi s ARG 119 Ca 0.14 -1.22 -0.02 0.00 -0.13 0.00 0.00 55.73 54.50 2bdi s ARG 119 Cb -0.20 -1.00 -0.03 0.00 -1.56 0.00 0.00 34.95 32.15 2bdi s ARG 119 CO -0.13 0.20 0.65 -1.54 -0.81 0.00 0.00 175.30 173.67 2bdi s SER 120 N -2.35 6.28 0.18 -2.12 1.04 -1.26 -2.59 113.70 112.89 2bdi s SER 120 Ca 0.08 0.66 0.09 0.00 0.48 0.00 0.00 55.95 57.27 2bdi s SER 120 Cb -0.06 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 2bdi s SER 120 CO 0.04 -0.42 -0.19 -0.51 0.98 0.00 0.00 173.24 173.13 2bdi s ILE 121 N -2.51 1.97 0.12 -1.02 2.07 -0.59 -4.92 121.20 116.33 2bdi s ILE 121 Ca 0.43 -2.00 -0.01 0.00 -1.41 0.00 0.00 60.65 57.66 2bdi s ILE 121 Cb -0.10 -1.95 -0.04 0.00 0.13 0.00 0.00 42.46 40.50 2bdi s ILE 121 CO 0.40 -0.30 0.29 -0.94 -1.91 0.00 0.00 174.94 172.48 2bdi s SER 122 N -2.78 6.39 -0.08 4.50 1.04 -1.26 -4.47 113.70 117.04 2bdi s SER 122 Ca 0.18 0.36 -0.22 0.00 0.48 0.00 0.00 55.95 56.75 2bdi s SER 122 Cb -0.06 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 2bdi s SER 122 CO 0.08 0.09 0.64 -0.63 0.98 0.00 0.00 173.24 174.40 2bdi s ILE 123 N -1.64 5.09 0.29 -1.02 1.01 -1.26 -0.56 121.20 123.10 2bdi s ILE 123 Ca 0.37 1.31 -0.30 0.00 0.00 0.00 0.00 60.65 62.03 2bdi s ILE 123 Cb -0.12 -3.98 -0.13 0.00 0.01 0.00 0.00 42.46 38.24 2bdi s ILE 123 CO 0.27 0.27 1.36 0.00 0.00 0.00 0.00 174.94 176.85 2bdi n ALA 124 N 3.76 1.25 0.43 9.38 0.00 0.22 -4.81 120.51 130.74 2bdi n ALA 124 Ca -0.03 0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.90 2bdi n ALA 124 Cb 0.51 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.55 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 1.56 0.52 -4.95 0.00 3.41 -1.26 -4.13 113.62 108.77 2bdi n SER 125 Ca 0.08 -0.44 -0.23 0.00 -0.26 0.00 0.00 58.87 58.02 2bdi n SER 125 Cb 0.34 1.53 -0.00 0.00 -0.26 0.00 0.00 64.21 65.82 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 -3.23 3.30 0.12 4.33 0.74 -1.26 -4.90 119.66 118.75 2bdi s GLN 127 Ca -0.01 -0.46 -0.07 0.00 0.05 0.00 0.00 55.36 54.87 2bdi s GLN 127 Cb 0.14 -2.65 -0.06 0.00 1.10 0.00 0.00 33.01 31.55 2bdi s GLN 127 CO 0.86 0.00 0.38 0.00 -0.55 0.00 0.00 175.29 175.99 2bdi n PRO 129 N 0.42 0.00 -4.81 0.00 -0.02 -1.26 -4.94 135.00 124.39 2bdi n PRO 129 Ca -0.05 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.10 2bdi n PRO 129 Cb 0.52 -0.89 -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 -0.93 3.09 0.31 3.45 -4.23 -1.26 -5.08 115.64 110.99 2bdi s THR 130 Ca 0.57 -0.67 -0.29 0.00 -1.18 0.00 0.00 61.69 60.12 2bdi s THR 130 Cb -0.81 -2.27 -0.13 0.00 1.34 0.00 0.00 72.50 70.64 2bdi s THR 130 CO 0.50 0.55 1.30 0.00 -0.54 0.00 0.00 174.62 176.43 2bdi n ALA 132 N 3.05 1.12 0.00 3.99 0.00 -1.26 -1.93 120.51 125.48 2bdi n ALA 132 Ca -0.18 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2bdi n ALA 132 Cb 0.53 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 1.18 2.82 3.70 0.00 0.00 0.14 -4.91 105.19 108.12 2bdi n GLY 133 Ca 0.07 0.00 -0.43 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 0.39 2.96 -4.83 1.61 2.85 -0.81 -4.46 115.26 112.97 2bdi n ASN 134 Ca 0.00 1.17 -0.37 0.00 -0.11 0.00 0.00 54.58 55.28 2bdi n ASN 134 Cb 0.00 -1.48 -0.07 0.00 1.24 0.00 0.00 39.78 39.47 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 0.07 6.40 0.11 1.20 0.15 -1.26 -0.14 113.70 120.24 2bdi s SER 135 Ca 0.62 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.76 2bdi s SER 135 Cb -0.59 -2.11 -0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2bdi s SER 135 CO 0.55 0.32 0.04 0.00 1.20 0.00 0.00 173.24 175.35 2bdi s LEU 137 N 0.00 2.18 0.02 0.00 2.96 -0.63 -2.36 118.68 120.84 2bdi s LEU 137 Ca 0.06 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2bdi s LEU 137 Cb 0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 46.19 46.48 2bdi s LEU 137 CO 0.04 -0.12 -0.03 0.54 -1.32 0.00 0.00 176.35 175.46 2bdi s VAL 138 N -0.98 0.16 0.04 1.68 0.11 -0.47 -0.60 120.40 120.35 2bdi s VAL 138 Ca -0.06 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.28 2bdi s VAL 138 Cb -0.07 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 2bdi s VAL 138 CO 0.00 -0.34 0.02 -0.94 -3.33 0.00 0.00 175.10 170.52 2bdi s SER 139 N -1.06 0.31 0.00 3.54 1.04 -1.23 -1.30 113.70 115.00 2bdi s SER 139 Ca -0.11 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2bdi s SER 139 Cb -0.07 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2bdi s SER 139 CO -0.01 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2bdi n GLY 140 N 0.62 0.45 1.44 7.32 0.00 -0.54 -4.22 105.19 110.27 2bdi n GLY 140 Ca -0.18 -1.02 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 -0.47 1.57 -1.21 1.61 8.01 -1.26 -1.60 117.44 124.09 2bdi n TRP 141 Ca 0.00 -0.80 -0.30 0.00 -1.31 0.00 0.00 57.50 55.09 2bdi n TRP 141 Cb 0.00 -0.42 0.23 0.00 -2.01 0.00 0.00 31.31 29.10 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 -1.31 1.61 0.50 6.99 0.00 -1.23 -4.32 107.32 109.56 2bdi s GLY 142 Ca 0.49 -0.93 -0.21 0.00 0.00 0.00 0.00 44.72 44.08 2bdi s GLY 142 CO 0.13 -0.08 0.77 1.04 0.00 0.00 0.00 173.10 174.96 2bdi n LEU 143 N -4.57 1.77 -5.02 0.66 4.32 0.20 -2.91 117.00 111.45 2bdi n LEU 143 Ca 0.13 0.88 -0.18 0.00 -0.02 0.00 0.00 56.01 56.82 2bdi n LEU 143 Cb 0.59 -1.26 0.03 0.00 -1.62 0.00 0.00 43.42 41.16 2bdi n LEU 143 CO 0.46 -2.28 0.22 -0.76 -1.22 0.00 0.00 177.39 173.82 2bdi s LEU 144 N 0.01 3.47 0.56 2.23 1.43 0.84 -1.42 118.68 125.79 2bdi s LEU 144 Ca 0.67 -0.56 0.30 0.00 -1.03 0.00 0.00 54.13 53.52 2bdi s LEU 144 Cb -0.51 -2.32 1.46 0.00 0.03 0.00 0.00 46.19 44.86 2bdi s LEU 144 CO 0.54 -0.96 1.88 0.00 0.23 0.00 0.00 176.35 178.04 2bdi h ALA 145 N 0.48 2.62 -0.19 4.21 0.00 -1.87 0.57 119.26 125.07 2bdi h ALA 145 Ca -0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2bdi h ALA 145 Cb 1.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2bdi h ALA 145 CO 0.44 -0.98 0.00 0.27 0.00 0.00 0.00 179.25 178.97 2bdi n ASN 146 N -4.05 1.41 -0.67 0.00 0.23 -1.26 -4.87 115.26 106.04 2bdi n ASN 146 Ca 0.15 -1.79 -0.09 0.00 -0.53 0.00 0.00 54.58 52.32 2bdi n ASN 146 Cb 0.87 -0.13 -0.04 0.00 -2.08 0.00 0.00 39.78 38.41 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 1.05 3.52 4.83 0.00 0.20 -5.00 105.19 110.81 2bdi n GLY 147 Ca 0.13 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.72 1.89 0.11 1.61 3.00 -1.25 -4.76 118.95 116.83 2bdi s ARG 150 Ca 0.00 -1.22 -0.27 0.00 -1.00 0.00 0.00 55.73 53.25 2bdi s ARG 150 Cb 0.00 -2.13 -0.07 0.00 0.00 0.00 0.00 34.95 32.76 2bdi s ARG 150 CO 0.00 0.46 0.83 -1.64 0.00 0.00 0.00 175.30 174.95 2bdi s MET 151 N -2.41 4.60 0.68 5.12 -1.94 -1.26 -0.11 119.30 123.98 2bdi s MET 151 Ca 0.21 1.22 -0.11 0.00 -1.71 0.00 0.00 55.69 55.30 2bdi s MET 151 Cb -0.10 -3.33 -0.00 0.00 2.01 0.00 0.00 34.83 33.41 2bdi s MET 151 CO 0.12 0.37 1.06 -1.25 -0.01 0.00 0.00 175.02 175.31 2bdi s PRO 152 N -0.46 3.05 0.04 2.03 0.04 -1.26 -4.96 135.00 133.49 2bdi s PRO 152 Ca 0.40 0.80 0.16 0.00 0.04 0.00 0.00 61.00 62.39 2bdi s PRO 152 Cb -0.22 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.15 2bdi s PRO 152 CO 0.26 -0.97 0.80 1.79 0.04 0.00 0.00 177.00 178.92 2bdi h THR 153 N -0.62 0.60 -2.76 1.26 1.35 -1.95 -3.48 112.91 107.32 2bdi h THR 153 Ca -0.44 -2.19 -0.48 0.00 -0.55 0.00 0.00 66.41 62.75 2bdi h THR 153 Cb 1.21 2.14 -0.14 0.00 -1.73 0.00 0.00 68.15 69.64 2bdi h THR 153 CO 0.60 0.34 -0.64 0.68 -0.25 0.00 0.00 175.52 176.25 2bdi s VAL 154 N -2.84 1.39 0.18 6.82 -7.23 -1.26 -3.84 120.40 113.62 2bdi s VAL 154 Ca -0.03 -2.05 -0.32 0.00 -1.81 0.00 0.00 61.98 57.77 2bdi s VAL 154 Cb 0.08 -2.61 -0.11 0.00 0.56 0.00 0.00 36.38 34.30 2bdi s VAL 154 CO 0.81 -0.16 1.65 -0.22 -0.31 0.00 0.00 175.10 176.87 2bdi s LEU 155 N -3.46 4.37 0.19 1.32 2.96 -0.59 -4.84 118.68 118.63 2bdi s LEU 155 Ca 0.33 2.73 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 2bdi s LEU 155 Cb 0.06 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 2bdi s LEU 155 CO 0.13 -0.90 0.36 -1.10 -1.32 0.00 0.00 176.35 173.52 2bdi s GLN 156 N 1.29 3.49 0.15 1.98 -1.52 -0.63 -1.07 119.66 123.35 2bdi s GLN 156 Ca 0.73 -0.43 0.03 0.00 -1.95 0.00 0.00 55.36 53.74 2bdi s GLN 156 Cb -0.46 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 29.41 2bdi s GLN 156 CO 0.32 0.43 -0.05 0.00 -0.25 0.00 0.00 175.29 175.73 2bdi s VAL 158 N -3.51 0.00 -0.07 0.00 0.11 -0.42 -1.88 120.40 114.63 2bdi s VAL 158 Ca 0.18 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.22 2bdi s VAL 158 Cb 0.05 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2bdi s VAL 158 CO 0.01 0.00 -0.02 0.20 -3.33 0.00 0.00 175.10 171.96 2bdi s ASN 159 N -1.85 5.05 -0.01 3.54 -0.87 -1.26 -1.37 114.94 118.18 2bdi s ASN 159 Ca 0.05 0.08 -0.08 0.00 -1.57 0.00 0.00 52.86 51.34 2bdi s ASN 159 Cb -0.01 -1.37 0.00 0.00 -0.02 0.00 0.00 41.25 39.86 2bdi s ASN 159 CO -0.04 0.36 0.15 0.68 -2.57 0.00 0.00 177.10 175.68 2bdi s VAL 160 N -0.89 0.07 0.15 1.60 -7.23 -1.00 -4.87 120.40 108.24 2bdi s VAL 160 Ca 0.14 -0.61 0.05 0.00 -1.81 0.00 0.00 61.98 59.75 2bdi s VAL 160 Cb -0.11 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 2bdi s VAL 160 CO 0.03 -0.33 0.09 -0.44 -0.31 0.00 0.00 175.10 174.14 2bdi s SER 161 N -1.23 5.34 0.28 4.85 0.01 -1.26 -0.83 113.70 120.86 2bdi s SER 161 Ca -0.13 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 2bdi s SER 161 Cb -0.07 -1.34 -0.10 0.00 0.21 0.00 0.00 66.02 64.72 2bdi s SER 161 CO 0.02 0.09 1.32 -0.69 0.41 0.00 0.00 173.24 174.39 2bdi s VAL 162 N -1.68 2.85 0.11 3.43 1.01 0.80 0.13 120.40 127.05 2bdi s VAL 162 Ca 0.30 0.79 0.02 0.00 0.00 0.00 0.00 61.98 63.08 2bdi s VAL 162 Cb -0.10 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2bdi s VAL 162 CO 0.22 0.16 0.25 -0.69 0.00 0.00 0.00 175.10 175.04 2bdi s VAL 163 N -0.66 5.32 0.65 2.92 1.01 -0.78 0.25 120.40 129.12 2bdi s VAL 163 Ca 0.52 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 2bdi s VAL 163 Cb -0.39 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 2bdi s VAL 163 CO 0.47 0.01 1.17 -0.94 0.00 0.00 0.00 175.10 175.81 2bdi s SER 164 N -2.92 4.88 0.19 3.32 1.04 -1.26 -4.64 113.70 114.31 2bdi s SER 164 Ca 0.35 2.23 -0.12 0.00 0.48 0.00 0.00 55.95 58.88 2bdi s SER 164 Cb -0.12 -2.58 0.17 0.00 0.10 0.00 0.00 66.02 63.59 2bdi s SER 164 CO 0.28 -1.79 1.77 -0.08 0.98 0.00 0.00 173.24 174.40 2bdi h GLU 165 N 0.25 0.44 0.62 4.02 4.81 -1.98 0.12 114.58 122.87 2bdi h GLU 165 Ca -0.48 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2bdi h GLU 165 Cb 1.28 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2bdi h GLU 165 CO 0.53 0.29 -0.48 1.49 -0.73 0.00 0.00 179.01 180.11 2bdi h GLU 166 N 0.45 -1.03 -0.76 1.92 4.81 -1.99 0.14 114.58 118.13 2bdi h GLU 166 Ca 0.24 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.65 2bdi h GLU 166 Cb 0.20 0.23 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 2bdi h GLU 166 CO -0.20 -0.69 0.38 0.28 -0.73 0.00 0.00 179.01 178.06 2bdi h VAL 167 N -1.07 0.82 -0.14 0.32 2.07 -1.80 -2.01 116.25 114.44 2bdi h VAL 167 Ca -0.08 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2bdi h VAL 167 Cb 0.89 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2bdi h VAL 167 CO 0.02 0.11 0.03 0.00 0.02 0.00 0.00 177.57 177.75 2bdi h SER 169 N 0.09 0.38 0.06 0.00 4.64 -0.30 -1.41 113.55 117.01 2bdi h SER 169 Ca 0.06 -0.09 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 2bdi h SER 169 Cb 0.05 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 62.06 2bdi h SER 169 CO -0.08 0.55 -0.80 0.11 -0.87 0.00 0.00 176.83 175.74 2bdi h LYS 170 N 0.36 0.44 0.00 4.77 1.57 -1.20 0.56 116.57 123.07 2bdi h LYS 170 Ca 0.07 -0.55 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2bdi h LYS 170 Cb 0.47 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2bdi h LYS 170 CO 0.03 1.20 -0.02 -0.07 -0.57 0.00 0.00 179.45 180.02 2bdi h LEU 171 N -0.07 0.00 -2.11 2.94 3.38 -0.47 -3.04 115.31 115.95 2bdi h LEU 171 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2bdi h LEU 171 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2bdi h LEU 171 CO 0.15 0.02 0.00 -1.22 0.09 0.00 0.00 178.44 177.49 2bdi n TYR 172 N -3.40 0.00 -1.66 1.13 4.01 -0.55 -5.01 117.16 111.68 2bdi n TYR 172 Ca -0.02 -0.29 -0.43 0.00 -0.16 0.00 0.00 57.90 56.99 2bdi n TYR 172 Cb 0.13 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.29 2.18 -1.20 7.72 -0.08 0.17 -1.15 116.55 123.90 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 -1.41 0.28 0.00 2.34 0.00 0.00 41.12 42.59 2bdi n ASP 173 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bdi n PRO 174 N 0.62 2.52 0.09 -0.67 -0.04 -1.26 -4.84 135.00 131.42 2bdi n PRO 174 Ca 0.07 -2.35 0.11 0.00 -0.04 0.00 0.00 63.50 61.29 2bdi n PRO 174 Cb 0.34 -1.52 0.45 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.44 0.53 -4.76 1.53 4.77 -0.30 -4.87 117.00 115.34 2bdi n LEU 175 Ca 0.22 0.61 -0.40 0.00 -0.03 0.00 0.00 56.01 56.40 2bdi n LEU 175 Cb 0.57 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2bdi n LEU 175 CO 0.15 -0.39 0.83 -0.47 -1.33 0.00 0.00 177.39 176.18 2bdi s TYR 176 N -3.20 3.49 0.10 -1.77 6.14 -0.77 -4.88 117.35 116.46 2bdi s TYR 176 Ca 0.07 1.62 0.01 0.00 0.64 0.00 0.00 57.07 59.41 2bdi s TYR 176 Cb 0.11 -3.36 -0.04 0.00 0.42 0.00 0.00 41.96 39.09 2bdi s TYR 176 CO 0.42 -0.81 -0.03 -1.58 0.64 0.00 0.00 175.55 174.18 2bdi s HIS 177 N -0.99 0.85 -1.09 4.97 2.46 -1.26 -4.94 115.29 115.28 2bdi s HIS 177 Ca 0.46 -1.00 0.08 0.00 0.47 0.00 0.00 55.06 55.07 2bdi s HIS 177 Cb -0.33 -0.51 0.34 0.00 -0.13 0.00 0.00 32.58 31.95 2bdi s HIS 177 CO 0.42 -0.25 1.21 -2.30 -2.47 0.00 0.00 174.74 171.35 2bdi n PRO 178 N -0.04 0.02 -0.66 2.88 -0.02 -1.26 -1.50 135.00 134.42 2bdi n PRO 178 Ca -0.11 0.34 -0.03 0.00 -2.02 0.00 0.00 63.50 61.67 2bdi n PRO 178 Cb 0.62 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.80 2bdi n PRO 178 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bdi n SER 179 N -1.45 3.83 -3.90 2.55 3.41 -1.26 -4.77 113.62 112.03 2bdi n SER 179 Ca 0.02 -2.77 -0.09 0.00 -0.26 0.00 0.00 58.87 55.77 2bdi n SER 179 Cb 0.08 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.31 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 -2.13 1.09 0.06 4.33 0.23 -0.56 -1.62 119.30 120.69 2bdi s MET 180 Ca 0.36 -1.07 -0.24 0.00 -1.03 0.00 0.00 55.69 53.71 2bdi s MET 180 Cb 0.28 0.38 0.06 0.00 -1.53 0.00 0.00 34.83 34.03 2bdi s MET 180 CO 0.09 -0.40 0.55 -0.59 -2.03 0.00 0.00 175.02 172.65 2bdi s PHE 181 N -3.92 -0.47 0.25 3.16 -0.12 -0.52 -4.70 117.98 111.65 2bdi s PHE 181 Ca 0.13 0.52 0.07 0.00 -0.05 0.00 0.00 56.93 57.60 2bdi s PHE 181 Cb 0.03 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 2bdi s PHE 181 CO -0.04 -0.68 0.16 0.00 -0.05 0.00 0.00 175.22 174.61 2bdi s ALA 183 N -2.15 -1.54 0.00 0.00 0.00 -0.72 -1.86 121.76 115.49 2bdi s ALA 183 Ca 0.32 1.77 0.00 0.00 0.00 0.00 0.00 51.96 54.05 2bdi s ALA 183 Cb -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2bdi s ALA 183 CO 0.24 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2bdi n GLY 184 N 2.77 0.61 2.07 0.00 0.00 0.12 -2.56 105.19 108.20 2bdi n GLY 184 Ca -0.14 -1.34 -0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 3.83 -0.02 0.00 -1.26 -4.56 105.19 103.65 2bdi n GLY 185 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.01 1.69 0.44 -0.02 0.00 -1.26 -0.00 107.32 106.15 2bdi s GLY 186 Ca 0.00 -0.99 0.21 0.00 0.00 0.00 0.00 44.72 43.94 2bdi s GLY 186 CO 0.00 -0.26 1.89 -1.61 0.00 0.00 0.00 173.10 173.12 2bdi h GLN 186 N -1.77 0.00 0.00 2.90 5.75 -1.94 -2.53 115.11 117.51 2bdi h GLN 186 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2bdi h GLN 186 Cb 1.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 2bdi h GLN 186 CO 0.43 0.26 0.00 -0.40 -2.65 0.00 0.00 178.83 176.47 2bdi n ASP 186 N -3.68 0.00 -3.65 -0.69 3.85 -1.26 -4.84 116.55 106.28 2bdi n ASP 186 Ca -0.01 -0.40 -0.27 0.00 -0.71 0.00 0.00 54.79 53.40 2bdi n ASP 186 Cb 0.38 -0.04 0.02 0.00 -1.35 0.00 0.00 41.12 40.12 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 -1.04 -4.90 -3.46 0.11 6.02 -0.95 -4.97 117.38 108.18 2bdi n GLN 187 Ca 0.11 0.61 -0.37 0.00 -0.01 0.00 0.00 57.00 57.34 2bdi n GLN 187 Cb 0.06 -5.45 -0.07 0.00 1.02 0.00 0.00 30.24 25.80 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 -6.34 4.22 0.15 -1.09 1.02 -1.26 -4.44 119.74 112.00 2bdi s LYS 188 Ca 0.55 0.15 -0.25 0.00 0.02 0.00 0.00 55.97 56.45 2bdi s LYS 188 Cb -0.28 -3.48 0.07 0.00 -0.52 0.00 0.00 37.83 33.63 2bdi s LYS 188 CO 0.68 0.11 1.01 0.34 -0.92 0.00 0.00 175.35 176.57 2bdi s ASP 189 N 0.76 -0.12 0.78 2.83 2.15 -0.97 -4.17 116.67 117.93 2bdi s ASP 189 Ca 0.18 -0.46 -0.02 0.00 0.43 0.00 0.00 52.55 52.68 2bdi s ASP 189 Cb -0.14 0.46 0.05 0.00 -0.30 0.00 0.00 42.92 42.99 2bdi s ASP 189 CO 0.06 -0.88 0.30 -1.20 -0.17 0.00 0.00 175.17 173.29 2bdi n SER 190 N -0.67 0.16 -2.04 -0.34 7.64 -1.26 0.25 113.62 117.35 2bdi n SER 190 Ca -0.06 -1.19 -0.02 0.00 1.01 0.00 0.00 58.87 58.62 2bdi n SER 190 Cb 0.61 -0.22 0.01 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.94 3.13 0.00 0.00 4.13 -1.26 -1.36 115.26 118.96 2bdi n ASN 192 Ca -0.01 1.07 0.00 0.00 1.68 0.00 0.00 54.58 57.32 2bdi n ASN 192 Cb 0.27 -1.42 0.00 0.00 -1.54 0.00 0.00 39.78 37.09 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 3.51 0.36 0.66 7.41 0.00 -1.26 -0.63 105.19 115.24 2bdi n GLY 193 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 2.43 -4.63 1.61 8.00 -0.47 -3.52 116.55 119.97 2bdi n ASP 194 Ca 0.00 -1.69 -0.44 0.00 0.71 0.00 0.00 54.79 53.37 2bdi n ASP 194 Cb 0.00 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 2bdi n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bdi n SER 195 N 0.88 1.87 0.00 -2.24 7.64 -1.26 -0.41 113.62 120.10 2bdi n SER 195 Ca 0.10 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2bdi n SER 195 Cb 0.40 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 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 1.04 1.66 3.70 0.23 0.00 0.26 -1.38 105.19 110.70 2bdi n GLY 196 Ca 0.08 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 1.64 0.34 -0.02 0.00 0.45 -3.59 107.32 104.14 2bdi s GLY 197 Ca 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 44.72 44.73 2bdi s GLY 197 CO 0.00 0.64 0.80 2.56 0.00 0.00 0.00 173.10 177.10 2bdi s PRO 198 N -4.81 4.13 -0.26 2.90 0.04 -1.26 -0.54 135.00 135.20 2bdi s PRO 198 Ca 0.64 0.85 -0.00 0.00 0.04 0.00 0.00 61.00 62.53 2bdi s PRO 198 Cb -0.20 -2.44 0.08 0.00 0.04 0.00 0.00 34.50 31.98 2bdi s PRO 198 CO 0.58 0.14 0.03 -1.17 0.04 0.00 0.00 177.00 176.62 2bdi s LEU 199 N -2.86 2.34 -0.14 -3.56 2.96 -0.44 -3.51 118.68 113.47 2bdi s LEU 199 Ca 0.55 -1.35 -0.12 0.00 -0.22 0.00 0.00 54.13 52.98 2bdi s LEU 199 Cb -0.11 -0.98 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 2bdi s LEU 199 CO 0.17 -0.33 0.26 -0.63 -1.32 0.00 0.00 176.35 174.50 2bdi s ILE 200 N 1.53 5.32 -0.10 6.68 -1.09 0.24 -0.04 121.20 133.74 2bdi s ILE 200 Ca 0.02 0.49 0.02 0.00 -2.23 0.00 0.00 60.65 58.95 2bdi s ILE 200 Cb -0.18 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 2bdi s ILE 200 CO -0.13 0.45 -0.16 0.00 -1.23 0.00 0.00 174.94 173.87 2bdi n ASN 202 N 4.00 -2.05 0.00 0.00 5.03 -1.26 -0.91 115.26 120.06 2bdi n ASN 202 Ca -0.20 -0.93 0.00 0.00 0.87 0.00 0.00 54.58 54.32 2bdi n ASN 202 Cb 0.52 -3.34 0.00 0.00 -1.02 0.00 0.00 39.78 35.94 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 -1.72 0.29 3.61 7.41 0.00 -1.26 -5.00 105.19 108.52 2bdi n GLY 203 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.66 2.70 -0.49 1.61 1.51 -0.09 -4.75 117.35 116.18 2bdi s TYR 208 Ca 0.00 -0.20 -0.28 0.00 -1.01 0.00 0.00 57.07 55.58 2bdi s TYR 208 Cb 0.00 -1.27 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 2bdi s TYR 208 CO 0.00 0.55 1.10 -1.17 -1.11 0.00 0.00 175.55 174.92 2bdi s LEU 209 N -3.14 3.70 -0.18 -1.29 2.96 0.28 0.00 118.68 121.01 2bdi s LEU 209 Ca 0.28 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 2bdi s LEU 209 Cb -0.08 -3.41 -0.22 0.00 0.50 0.00 0.00 46.19 42.98 2bdi s LEU 209 CO 0.17 -1.24 0.13 1.67 -1.32 0.00 0.00 176.35 175.76 2bdi n GLN 210 N 7.78 0.69 -3.21 1.98 -0.06 0.94 -0.61 117.38 124.89 2bdi n GLN 210 Ca 0.10 0.19 -0.07 0.00 -2.00 0.00 0.00 57.00 55.22 2bdi n GLN 210 Cb 0.49 -1.62 0.02 0.00 -4.06 0.00 0.00 30.24 25.07 2bdi n GLN 210 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2bdi n GLY 211 N 2.02 1.28 3.23 1.69 0.00 -0.87 -3.00 105.19 109.54 2bdi n GLY 211 Ca -0.36 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 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 2.10 -0.12 0.99 1.43 -1.22 -1.33 118.68 120.53 2bdi s LEU 212 Ca 0.13 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 2bdi s LEU 212 Cb -0.04 -1.00 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 2bdi s LEU 212 CO 0.10 0.21 1.94 -0.69 0.23 0.00 0.00 176.35 178.13 2bdi s VAL 213 N -0.62 3.23 -0.00 -1.59 1.01 0.30 -1.22 120.40 121.51 2bdi s VAL 213 Ca 0.08 0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.31 2bdi s VAL 213 Cb -0.08 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 2bdi s VAL 213 CO 0.00 -0.09 -0.01 -0.24 0.00 0.00 0.00 175.10 174.77 2bdi n SER 214 N 9.07 0.04 -2.91 3.32 2.88 -0.97 0.93 113.62 125.98 2bdi n SER 214 Ca 0.23 0.01 -0.08 0.00 -1.33 0.00 0.00 58.87 57.69 2bdi n SER 214 Cb 0.43 -0.38 0.03 0.00 -0.75 0.00 0.00 64.21 63.54 2bdi n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bdi s PHE 215 N -1.04 0.15 0.00 0.66 -0.12 -1.06 -4.88 117.98 111.68 2bdi s PHE 215 Ca -0.01 -0.79 0.00 0.00 -0.05 0.00 0.00 56.93 56.08 2bdi s PHE 215 Cb 0.00 0.83 0.00 0.00 -0.63 0.00 0.00 43.02 43.22 2bdi s PHE 215 CO 0.01 -1.48 0.00 0.41 -0.05 0.00 0.00 175.22 174.11 2bdi n GLY 216 N -0.58 0.60 3.71 1.99 0.00 -1.26 0.54 105.19 110.19 2bdi n GLY 216 Ca -0.08 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 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 1.61 0.10 1.61 1.02 -1.26 -5.02 119.74 115.79 2bdi s LYS 217 Ca 0.00 1.56 0.09 0.00 0.02 0.00 0.00 55.97 57.63 2bdi s LYS 217 Cb 0.00 -1.79 -0.03 0.00 -0.52 0.00 0.00 37.83 35.48 2bdi s LYS 217 CO 0.00 -2.20 -0.22 0.00 -0.92 0.00 0.00 175.35 172.01 2bdi s ALA 218 N -2.47 1.90 1.27 5.17 0.00 -1.26 -4.04 121.76 122.33 2bdi s ALA 218 Ca 0.68 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 2bdi s ALA 218 Cb -0.24 -0.28 0.31 0.00 0.00 0.00 0.00 23.12 22.92 2bdi s ALA 218 CO 0.53 0.39 1.04 -1.25 0.00 0.00 0.00 175.76 176.48 2bdi s PRO 219 N -1.87 -1.75 0.38 0.00 0.04 -1.26 -5.11 135.00 125.43 2bdi s PRO 219 Ca 0.08 0.08 -0.00 0.00 0.04 0.00 0.00 61.00 61.19 2bdi s PRO 219 Cb -0.10 -1.52 0.08 0.00 0.04 0.00 0.00 34.50 33.00 2bdi s PRO 219 CO 0.04 -4.09 0.53 0.00 0.04 0.00 0.00 177.00 173.52 2bdi n GLY 220 N 0.98 -0.22 3.78 0.00 0.00 -1.26 -4.98 105.19 103.49 2bdi n GLY 220 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.85 4.51 0.23 1.61 -0.21 -1.26 -4.63 119.66 115.06 2bdi s GLN 221 Ca 0.00 1.11 -0.30 0.00 0.02 0.00 0.00 55.36 56.19 2bdi s GLN 221 Cb 0.00 -3.18 -0.10 0.00 1.00 0.00 0.00 33.01 30.73 2bdi s GLN 221 CO 0.00 0.54 1.45 0.08 -2.12 0.00 0.00 175.29 175.23 2bdi s VAL 222 N -1.22 2.73 0.00 1.09 1.01 -1.26 -2.05 120.40 120.69 2bdi s VAL 222 Ca 0.37 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2bdi s VAL 222 Cb -0.22 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2bdi s VAL 222 CO 0.25 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2bdi n GLY 223 N 2.49 0.82 2.78 4.51 0.00 1.00 -4.95 105.19 111.84 2bdi n GLY 223 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2bdi n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bdi s VAL 224 N -3.28 1.71 0.87 1.61 1.01 -0.87 -5.02 120.40 116.44 2bdi s VAL 224 Ca 0.00 -2.71 -0.11 0.00 0.00 0.00 0.00 61.98 59.15 2bdi s VAL 224 Cb 0.00 -2.20 0.12 0.00 0.00 0.00 0.00 36.38 34.30 2bdi s VAL 224 CO 0.00 -0.86 1.09 -2.16 0.00 0.00 0.00 175.10 173.17 2bdi s PRO 225 N 0.23 1.43 0.36 2.72 0.04 -1.26 -4.34 135.00 134.19 2bdi s PRO 225 Ca 0.17 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 2bdi s PRO 225 Cb -0.25 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2bdi s PRO 225 CO -0.00 -2.14 0.59 0.20 0.04 0.00 0.00 177.00 175.68 2bdi s GLY 226 N -3.40 1.42 -0.09 0.56 0.00 -1.06 -4.66 107.32 100.10 2bdi s GLY 226 Ca 0.63 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 44.52 2bdi s GLY 226 CO 0.57 -0.71 0.06 0.14 0.00 0.00 0.00 173.10 173.15 2bdi s VAL 227 N -2.37 4.75 0.04 1.40 1.01 0.19 -1.76 120.40 123.67 2bdi s VAL 227 Ca 0.42 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.32 2bdi s VAL 227 Cb -0.10 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2bdi s VAL 227 CO 0.37 0.59 -0.11 -0.31 0.00 0.00 0.00 175.10 175.63 2bdi s TYR 228 N -0.96 0.97 0.14 5.22 1.51 0.66 -2.29 117.35 122.60 2bdi s TYR 228 Ca 0.15 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.51 2bdi s TYR 228 Cb -0.12 -0.57 -0.09 0.00 -0.11 0.00 0.00 41.96 41.07 2bdi s TYR 228 CO 0.04 -0.00 1.46 0.99 -1.11 0.00 0.00 175.55 176.93 2bdi s THR 229 N -1.01 3.01 -1.26 -0.71 2.01 -0.36 -1.44 115.64 115.88 2bdi s THR 229 Ca -0.03 0.73 -0.16 0.00 0.31 0.00 0.00 61.69 62.54 2bdi s THR 229 Cb -0.08 -3.47 0.12 0.00 0.01 0.00 0.00 72.50 69.08 2bdi s THR 229 CO 0.01 0.06 1.60 -3.20 -0.69 0.00 0.00 174.62 172.40 2bdi n ASN 230 N 3.86 5.07 -0.24 3.53 5.15 -0.64 -3.45 115.26 128.54 2bdi n ASN 230 Ca 0.12 -2.95 0.13 0.00 -0.60 0.00 0.00 54.58 51.28 2bdi n ASN 230 Cb 0.41 -1.67 0.42 0.00 -0.53 0.00 0.00 39.78 38.41 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 11.21 0.57 -1.55 1.20 3.38 -1.86 0.54 115.31 128.79 2bdi h LEU 231 Ca 0.39 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2bdi h LEU 231 Cb 0.87 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2bdi h LEU 231 CO 1.36 0.29 0.32 0.00 0.09 0.00 0.00 178.44 180.50 2bdi h LYS 233 N 0.00 0.00 -0.13 0.00 1.79 -1.22 -3.35 116.57 113.66 2bdi h LYS 233 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2bdi h LYS 233 Cb 0.64 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 2bdi h LYS 233 CO 0.00 0.00 -0.20 1.19 -1.08 0.00 0.00 179.45 179.36 2bdi n PHE 234 N -2.22 0.41 0.39 -1.35 3.72 -0.05 -4.79 117.46 113.58 2bdi n PHE 234 Ca 0.04 -1.33 -0.19 0.00 -0.05 0.00 0.00 57.45 55.93 2bdi n PHE 234 Cb 0.44 -0.30 -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 0.85 0.10 -0.70 4.37 1.35 -1.70 0.46 112.91 117.65 2bdi h THR 235 Ca 0.06 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.06 2bdi h THR 235 Cb 1.24 0.10 -0.10 0.00 -1.73 0.00 0.00 68.15 67.66 2bdi h THR 235 CO 0.13 0.00 0.19 -0.08 -0.25 0.00 0.00 175.52 175.52 2bdi h GLU 236 N -1.08 0.30 -0.07 4.72 4.81 -1.91 0.20 114.58 121.55 2bdi h GLU 236 Ca -0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2bdi h GLU 236 Cb 0.88 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 2bdi h GLU 236 CO 0.08 0.20 0.02 2.35 -0.73 0.00 0.00 179.01 180.93 2bdi h TRP 237 N 0.31 0.11 -0.94 0.92 7.01 -1.83 -0.47 115.95 121.06 2bdi h TRP 237 Ca 0.38 -0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.53 2bdi h TRP 237 Cb 0.61 -0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.56 2bdi h TRP 237 CO -0.23 0.27 0.60 0.82 -2.79 0.00 0.00 178.44 177.10 2bdi h ILE 238 N -0.09 0.80 0.40 2.65 2.04 0.97 -2.19 117.51 122.10 2bdi h ILE 238 Ca 0.02 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2bdi h ILE 238 Cb 0.21 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2bdi h ILE 238 CO -0.00 0.13 -0.19 -0.08 0.00 0.00 0.00 178.15 178.01 2bdi h GLU 239 N 0.72 -0.52 -0.73 2.37 4.57 -0.17 -1.43 114.58 119.39 2bdi h GLU 239 Ca 0.49 0.04 0.21 0.00 -1.18 0.00 0.00 59.36 58.91 2bdi h GLU 239 Cb 0.78 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 2bdi h GLU 239 CO -0.25 -0.35 0.77 -0.22 -1.18 0.00 0.00 179.01 177.79 2bdi h LYS 240 N -0.87 0.00 0.00 1.92 3.64 -0.99 -0.19 116.57 120.08 2bdi h LYS 240 Ca -0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2bdi h LYS 240 Cb 0.41 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2bdi h LYS 240 CO 0.09 0.00 -0.36 1.15 -2.27 0.00 0.00 179.45 178.06 2bdi h THR 241 N 0.00 0.34 -0.63 1.00 2.02 -1.36 -3.12 112.91 111.16 2bdi h THR 241 Ca 0.35 -1.32 0.09 0.00 0.77 0.00 0.00 66.41 66.29 2bdi h THR 241 Cb 1.89 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 68.93 2bdi h THR 241 CO -0.00 0.11 0.28 0.58 0.37 0.00 0.00 175.52 176.86 2bdi h VAL 242 N -1.00 0.83 0.00 3.16 2.07 -0.30 -3.36 116.25 117.65 2bdi h VAL 242 Ca -0.05 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2bdi h VAL 242 Cb 0.48 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 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 -4.93 0.00 0.00 1.57 -0.06 -0.17 -5.10 117.38 108.69 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 0.25 -0.04 0.00 0.00 -4.06 0.00 0.00 30.24 26.39 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86