#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8g s VAL 3 N 0.00 4.44 0.08 12.58 1.01 -0.82 -4.93 120.40 132.76 2b8g s VAL 3 Ca 0.00 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.38 2b8g s VAL 3 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2b8g s VAL 3 CO 0.00 -0.03 0.07 -0.44 0.00 0.00 0.00 175.10 174.70 2b8g s SER 4 N -1.90 0.33 0.64 3.32 0.01 -1.26 -1.42 113.70 113.42 2b8g s SER 4 Ca 0.52 -0.91 -0.14 0.00 1.31 0.00 0.00 55.95 56.73 2b8g s SER 4 Cb -0.14 0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.35 2b8g s SER 4 CO 0.19 -0.67 1.07 -0.63 0.41 0.00 0.00 173.24 173.61 2b8g s ILE 5 N -3.92 3.68 0.00 1.44 -1.09 0.74 -4.83 121.20 117.21 2b8g s ILE 5 Ca 0.09 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 2b8g s ILE 5 Cb 0.07 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 2b8g s ILE 5 CO -0.08 -0.54 0.57 0.00 -1.23 0.00 0.00 174.94 173.65 2b8g n GLN 6 N -2.47 0.66 -3.59 2.79 10.64 -1.26 -0.89 117.38 123.26 2b8g n GLN 6 Ca 0.09 -0.73 -0.17 0.00 -1.83 0.00 0.00 57.00 54.36 2b8g n GLN 6 Cb 0.53 -0.81 -0.07 0.00 -0.86 0.00 0.00 30.24 29.03 2b8g n GLN 6 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2b8g s MET 7 N -0.32 0.94 0.22 2.61 0.00 -1.26 -4.66 119.30 116.83 2b8g s MET 7 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 55.69 55.52 2b8g s MET 7 Cb 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 34.83 35.17 2b8g s MET 7 CO 0.00 -0.29 1.46 0.00 0.00 0.00 0.00 175.02 176.20 2b8g s ALA 8 N -1.21 3.65 0.00 4.11 0.00 -1.26 -3.26 121.76 123.79 2b8g s ALA 8 Ca -0.12 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2b8g s ALA 8 Cb -0.02 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2b8g s ALA 8 CO 0.08 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2b8g n GLY 9 N 2.59 -0.63 2.90 0.00 0.00 -0.78 -4.62 105.19 104.65 2b8g n GLY 9 Ca 0.08 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 2b8g n GLY 9 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b8g s ASN 10 N -4.00 0.72 -1.48 1.61 0.01 0.50 -1.83 114.94 110.48 2b8g s ASN 10 Ca 0.00 -0.10 -0.13 0.00 -0.71 0.00 0.00 52.86 51.92 2b8g s ASN 10 Cb 0.00 -0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.40 2b8g s ASN 10 CO 0.00 -0.02 2.40 -0.11 -1.51 0.00 0.00 177.10 177.86 2b8g n LEU 11 N 3.66 7.24 -0.30 0.60 7.94 -0.05 -1.24 117.00 134.85 2b8g n LEU 11 Ca -0.21 -4.15 0.08 0.00 -1.11 0.00 0.00 56.01 50.62 2b8g n LEU 11 Cb 0.53 -1.61 0.18 0.00 0.53 0.00 0.00 43.42 43.04 2b8g n LEU 11 CO 0.24 1.30 0.60 1.87 -1.11 0.00 0.00 177.39 180.29 2b8g n TRP 12 N 5.50 0.41 -4.02 1.96 -0.00 -0.49 -0.56 117.44 120.24 2b8g n TRP 12 Ca 0.58 1.01 -0.08 0.00 -0.00 0.00 0.00 57.50 59.02 2b8g n TRP 12 Cb 0.35 -1.05 -0.10 0.00 -0.00 0.00 0.00 31.31 30.51 2b8g n TRP 12 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 2b8g s LYS 13 N -5.93 0.60 0.04 5.87 1.02 -1.10 -4.40 119.74 115.83 2b8g s LYS 13 Ca -0.12 -1.04 0.03 0.00 0.02 0.00 0.00 55.97 54.87 2b8g s LYS 13 Cb 0.23 0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.74 2b8g s LYS 13 CO 0.65 -0.13 -0.10 0.08 -0.92 0.00 0.00 175.35 174.93 2b8g s VAL 14 N -3.40 0.79 -0.04 3.17 1.01 -1.26 -1.14 120.40 119.52 2b8g s VAL 14 Ca 0.02 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.16 2b8g s VAL 14 Cb 0.04 -0.76 0.14 0.00 0.00 0.00 0.00 36.38 35.80 2b8g s VAL 14 CO -0.08 -0.13 1.07 1.41 0.00 0.00 0.00 175.10 177.36 2b8g n HIS 15 N 1.87 0.00 -4.12 5.22 -0.00 0.14 -4.94 115.22 113.39 2b8g n HIS 15 Ca -0.19 -0.34 -0.11 0.00 -0.00 0.00 0.00 57.72 57.07 2b8g n HIS 15 Cb 0.55 -0.09 -0.11 0.00 -0.00 0.00 0.00 29.99 30.34 2b8g n HIS 15 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2b8g s VAL 16 N -0.72 0.61 0.07 1.59 -7.23 -1.25 -4.86 120.40 108.61 2b8g s VAL 16 Ca 0.13 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 58.65 2b8g s VAL 16 Cb 0.13 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 2b8g s VAL 16 CO -0.02 -0.69 0.10 -0.54 -0.31 0.00 0.00 175.10 173.63 2b8g s LYS 17 N -2.97 0.74 0.18 4.82 1.02 -1.26 -5.00 119.74 117.27 2b8g s LYS 17 Ca 0.03 -1.06 -0.33 0.00 0.02 0.00 0.00 55.97 54.64 2b8g s LYS 17 Cb -0.00 0.28 -0.15 0.00 -0.52 0.00 0.00 37.83 37.44 2b8g s LYS 17 CO -0.03 -0.20 1.25 0.00 -0.92 0.00 0.00 175.35 175.46 2b8g n ALA 18 N 0.05 -0.23 -0.16 5.17 0.00 -1.26 -1.79 120.51 122.27 2b8g n ALA 18 Ca -0.15 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2b8g n ALA 18 Cb 0.62 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2b8g n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b8g n GLY 19 N 2.14 1.94 3.83 0.00 0.00 0.34 -5.01 105.19 108.42 2b8g n GLY 19 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2b8g n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b8g s ASP 20 N -3.39 6.34 -0.01 1.61 2.15 -0.74 -4.75 116.67 117.88 2b8g s ASP 20 Ca 0.00 1.68 -0.13 0.00 0.43 0.00 0.00 52.55 54.53 2b8g s ASP 20 Cb 0.00 -2.52 -0.05 0.00 -0.30 0.00 0.00 42.92 40.05 2b8g s ASP 20 CO 0.00 -0.78 0.36 -1.58 -0.17 0.00 0.00 175.17 173.00 2b8g s GLN 21 N -3.99 3.81 0.21 4.34 2.00 -1.26 -0.48 119.66 124.28 2b8g s GLN 21 Ca 0.61 0.28 0.03 0.00 -2.00 0.00 0.00 55.36 54.28 2b8g s GLN 21 Cb -0.12 -3.19 -0.05 0.00 0.80 0.00 0.00 33.01 30.45 2b8g s GLN 21 CO 0.32 0.70 -0.01 0.96 -0.50 0.00 0.00 175.29 176.76 2b8g s ILE 22 N -1.10 0.91 -0.00 -2.34 -4.36 0.29 -4.95 121.20 109.64 2b8g s ILE 22 Ca 0.23 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 58.60 2b8g s ILE 22 Cb -0.16 -2.24 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 2b8g s ILE 22 CO 0.12 -0.39 0.01 -0.70 0.24 0.00 0.00 174.94 174.22 2b8g s GLU 23 N -3.88 0.10 -0.04 0.37 2.12 -1.26 -1.43 118.70 114.68 2b8g s GLU 23 Ca 0.26 -0.13 -0.36 0.00 0.36 0.00 0.00 54.97 55.11 2b8g s GLU 23 Cb 0.06 0.04 -0.14 0.00 0.26 0.00 0.00 34.13 34.35 2b8g s GLU 23 CO 0.07 -0.02 1.71 1.17 -0.54 0.00 0.00 175.26 177.65 2b8g n LYS 24 N 2.70 1.85 -0.06 4.30 4.81 -1.26 -1.06 118.16 129.44 2b8g n LYS 24 Ca -0.15 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 2b8g n LYS 24 Cb 0.59 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.19 2b8g n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2b8g n GLY 25 N 3.89 0.98 3.76 3.14 0.00 -0.30 -4.95 105.19 111.71 2b8g n GLY 25 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2b8g n GLY 25 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2b8g s GLN 26 N -0.65 4.44 0.12 1.61 0.74 -0.23 -4.67 119.66 121.03 2b8g s GLN 26 Ca 0.00 2.07 -0.31 0.00 0.05 0.00 0.00 55.36 57.17 2b8g s GLN 26 Cb 0.00 -3.13 -0.09 0.00 1.10 0.00 0.00 33.01 30.89 2b8g s GLN 26 CO 0.00 -0.09 1.63 -2.00 -0.55 0.00 0.00 175.29 174.28 2b8g s GLU 27 N -1.36 4.20 0.00 1.67 2.12 -1.26 -0.30 118.70 123.76 2b8g s GLU 27 Ca 0.49 2.37 0.00 0.00 0.36 0.00 0.00 54.97 58.20 2b8g s GLU 27 Cb -0.37 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.64 2b8g s GLU 27 CO 0.47 -0.68 0.00 1.33 -0.54 0.00 0.00 175.26 175.83 2b8g n VAL 28 N 4.35 0.00 -3.85 3.70 0.24 0.17 -4.84 118.33 118.11 2b8g n VAL 28 Ca 0.15 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.36 2b8g n VAL 28 Cb 0.39 -0.04 0.01 0.00 -1.47 0.00 0.00 33.84 32.74 2b8g n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b8g s ALA 29 N -1.89 -0.62 -0.00 2.33 0.00 -0.84 -0.69 121.76 120.05 2b8g s ALA 29 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2b8g s ALA 29 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2b8g s ALA 29 CO 0.00 -0.97 -0.01 0.42 0.00 0.00 0.00 175.76 175.20 2b8g s ILE 30 N -2.59 0.10 -0.12 0.00 1.01 -0.29 -0.65 121.20 118.67 2b8g s ILE 30 Ca 0.17 -0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.62 2b8g s ILE 30 Cb -0.05 -0.11 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 2b8g s ILE 30 CO 0.12 0.04 0.42 -0.76 0.00 0.00 0.00 174.94 174.76 2b8g s LEU 31 N 0.09 4.29 0.36 2.97 1.43 -0.23 -1.40 118.68 126.18 2b8g s LEU 31 Ca -0.01 0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 53.57 2b8g s LEU 31 Cb -0.02 -2.59 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 2b8g s LEU 31 CO -0.00 0.06 1.12 -0.70 0.23 0.00 0.00 176.35 177.06 2b8g s GLU 32 N 0.40 4.30 -0.41 1.70 -6.30 -0.38 -1.59 118.70 116.43 2b8g s GLU 32 Ca 0.23 1.76 0.04 0.00 -2.50 0.00 0.00 54.97 54.50 2b8g s GLU 32 Cb -0.15 -2.84 0.18 0.00 0.00 0.00 0.00 34.13 31.33 2b8g s GLU 32 CO 0.09 -0.08 0.36 0.43 0.02 0.00 0.00 175.26 176.07 2b8g n SER 33 N 0.45 -0.43 -3.74 -1.70 7.64 0.22 -0.37 113.62 115.70 2b8g n SER 33 Ca 0.02 -2.40 -0.26 0.00 1.01 0.00 0.00 58.87 57.24 2b8g n SER 33 Cb 0.46 -0.56 0.05 0.00 -1.01 0.00 0.00 64.21 63.16 2b8g n SER 33 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2b8g n MET 34 N 2.70 -6.53 -0.57 1.43 2.81 -1.26 -1.56 117.12 114.14 2b8g n MET 34 Ca 0.29 0.71 0.00 0.00 -1.81 0.00 0.00 57.70 56.89 2b8g n MET 34 Cb 0.48 -5.65 0.00 0.00 -0.71 0.00 0.00 33.22 27.35 2b8g n MET 34 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2b8g n LYS 35 N -4.75 0.00 -3.32 0.03 5.02 -1.26 -5.08 118.16 108.81 2b8g n LYS 35 Ca -0.02 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.07 2b8g n LYS 35 Cb 0.56 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2b8g n LYS 35 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2b8g s MET 36 N -0.43 3.07 -0.06 1.97 -1.94 -0.60 -5.13 119.30 116.17 2b8g s MET 36 Ca 0.00 -0.91 0.03 0.00 -1.71 0.00 0.00 55.69 53.11 2b8g s MET 36 Cb 0.00 -2.75 0.00 0.00 2.01 0.00 0.00 34.83 34.09 2b8g s MET 36 CO 0.00 -0.05 -0.16 -1.83 -0.01 0.00 0.00 175.02 172.97 2b8g s GLU 37 N -4.28 1.98 -0.20 2.03 -1.05 -1.26 -0.61 118.70 115.31 2b8g s GLU 37 Ca 0.47 -0.57 -0.04 0.00 -0.15 0.00 0.00 54.97 54.67 2b8g s GLU 37 Cb -0.10 -1.62 0.09 0.00 -0.44 0.00 0.00 34.13 32.06 2b8g s GLU 37 CO 0.33 0.14 0.22 0.42 0.95 0.00 0.00 175.26 177.31 2b8g s ILE 38 N 0.37 -0.32 0.61 1.83 1.01 -0.62 -4.99 121.20 119.09 2b8g s ILE 38 Ca -0.11 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 2b8g s ILE 38 Cb -0.15 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 2b8g s ILE 38 CO 0.04 -0.20 1.12 -2.65 0.00 0.00 0.00 174.94 173.26 2b8g n PRO 39 N 5.32 1.07 -4.00 2.79 -0.02 -1.26 -1.07 135.00 137.82 2b8g n PRO 39 Ca -0.06 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 2b8g n PRO 39 Cb 0.50 -2.34 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 2b8g n PRO 39 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2b8g s ILE 40 N -1.44 1.62 0.19 4.25 -1.09 0.18 -4.84 121.20 120.07 2b8g s ILE 40 Ca 0.78 -0.90 0.08 0.00 -2.23 0.00 0.00 60.65 58.38 2b8g s ILE 40 Cb -0.41 -1.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 2b8g s ILE 40 CO 0.45 0.25 -0.04 0.68 -1.23 0.00 0.00 174.94 175.05 2b8g s VAL 41 N 1.42 3.45 -0.02 2.92 -7.23 -1.26 -0.66 120.40 119.02 2b8g s VAL 41 Ca 0.00 -1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 58.26 2b8g s VAL 41 Cb -0.15 -2.74 -0.07 0.00 0.56 0.00 0.00 36.38 33.98 2b8g s VAL 41 CO -0.09 -0.16 1.76 0.00 -0.31 0.00 0.00 175.10 176.31 2b8g s ALA 42 N -1.83 3.60 0.59 1.32 0.00 0.58 -4.82 121.76 121.20 2b8g s ALA 42 Ca 0.27 1.07 0.38 0.00 0.00 0.00 0.00 51.96 53.68 2b8g s ALA 42 Cb -0.09 -3.78 2.11 0.00 0.00 0.00 0.00 23.12 21.36 2b8g s ALA 42 CO 0.17 -1.47 2.29 0.22 0.00 0.00 0.00 175.76 176.98 2b8g h ASP 43 N 9.93 0.00 -5.02 0.00 3.58 -1.91 -0.78 116.42 122.23 2b8g h ASP 43 Ca -0.43 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.03 2b8g h ASP 43 Cb 1.20 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.15 2b8g h ASP 43 CO 0.95 0.01 0.18 0.00 -2.88 0.00 0.00 179.24 177.50 2b8g s ARG 44 N -4.28 1.44 0.45 0.28 1.70 -1.26 -4.87 118.95 112.42 2b8g s ARG 44 Ca -0.04 -0.70 -0.20 0.00 -0.47 0.00 0.00 55.73 54.31 2b8g s ARG 44 Cb 0.13 0.58 -0.10 0.00 -0.57 0.00 0.00 34.95 34.99 2b8g s ARG 44 CO 0.48 -0.64 0.97 -1.12 -1.08 0.00 0.00 175.30 173.91 2b8g s SER 45 N -2.82 6.76 0.00 -2.89 0.01 -1.26 -3.98 113.70 109.51 2b8g s SER 45 Ca 0.06 1.73 0.00 0.00 1.31 0.00 0.00 55.95 59.04 2b8g s SER 45 Cb -0.02 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2b8g s SER 45 CO -0.05 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.72 2b8g n GLY 46 N -0.66 -2.23 3.78 3.44 0.00 -0.51 -4.82 105.19 104.18 2b8g n GLY 46 Ca 0.07 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 2b8g n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b8g s ILE 47 N -2.16 5.34 0.06 -0.61 1.01 -1.26 -0.55 121.20 123.03 2b8g s ILE 47 Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 60.65 60.76 2b8g s ILE 47 Cb 0.00 -3.55 -0.08 0.00 0.01 0.00 0.00 42.46 38.85 2b8g s ILE 47 CO 0.00 0.48 1.58 -0.69 0.00 0.00 0.00 174.94 176.32 2b8g s VAL 48 N -0.13 3.17 -0.15 2.92 1.01 0.37 -0.36 120.40 127.23 2b8g s VAL 48 Ca 0.15 0.63 -0.21 0.00 0.00 0.00 0.00 61.98 62.55 2b8g s VAL 48 Cb -0.13 -3.41 -0.24 0.00 0.00 0.00 0.00 36.38 32.60 2b8g s VAL 48 CO 0.04 0.00 0.50 0.50 0.00 0.00 0.00 175.10 176.14 2b8g h LYS 49 N 8.09 0.10 -3.08 2.72 3.64 -1.13 0.97 116.57 127.88 2b8g h LYS 49 Ca -0.41 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 58.71 2b8g h LYS 49 Cb 1.20 0.07 -0.16 0.00 -0.41 0.00 0.00 32.23 32.92 2b8g h LYS 49 CO 0.92 1.09 -0.10 -2.00 -2.27 0.00 0.00 179.45 177.09 2b8g s GLU 50 N -2.38 0.95 -0.21 1.90 2.12 -0.73 -4.48 118.70 115.87 2b8g s GLU 50 Ca -0.23 -0.42 -0.02 0.00 0.36 0.00 0.00 54.97 54.67 2b8g s GLU 50 Cb 0.03 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.85 2b8g s GLU 50 CO 0.69 -0.33 -0.09 0.08 -0.54 0.00 0.00 175.26 175.06 2b8g s VAL 51 N -2.70 2.92 -1.75 3.70 1.01 -1.26 -1.30 120.40 121.02 2b8g s VAL 51 Ca -0.04 -0.69 0.30 0.00 0.00 0.00 0.00 61.98 61.55 2b8g s VAL 51 Cb -0.00 -2.32 0.59 0.00 0.00 0.00 0.00 36.38 34.65 2b8g s VAL 51 CO -0.04 0.43 1.99 0.29 0.00 0.00 0.00 175.10 177.77 2b8g n LYS 52 N 4.73 0.78 -4.14 2.72 4.76 0.72 -4.85 118.16 122.88 2b8g n LYS 52 Ca -0.19 -0.18 -0.16 0.00 -2.87 0.00 0.00 58.31 54.92 2b8g n LYS 52 Cb 0.50 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.14 2b8g n LYS 52 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2b8g s LYS 53 N -2.34 1.85 0.27 1.97 -0.14 -1.25 -4.87 119.74 115.22 2b8g s LYS 53 Ca 0.34 -1.81 -0.04 0.00 -1.36 0.00 0.00 55.97 53.10 2b8g s LYS 53 Cb 0.21 0.41 -0.02 0.00 -1.68 0.00 0.00 37.83 36.75 2b8g s LYS 53 CO 0.43 -0.74 0.34 -1.59 -0.76 0.00 0.00 175.35 173.03 2b8g s LYS 54 N -3.19 1.55 -0.24 1.68 -2.85 -1.26 -5.08 119.74 110.35 2b8g s LYS 54 Ca 0.33 -1.59 -0.43 0.00 -1.00 0.00 0.00 55.97 53.28 2b8g s LYS 54 Cb 0.00 0.38 -0.19 0.00 -2.06 0.00 0.00 37.83 35.97 2b8g s LYS 54 CO 0.22 -0.60 1.41 -1.91 0.10 0.00 0.00 175.35 174.57 2b8g n GLU 55 N -0.42 0.27 -0.99 1.78 2.13 -1.26 -2.03 120.64 120.12 2b8g n GLU 55 Ca 0.01 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2b8g n GLU 55 Cb 0.63 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.70 2b8g n GLU 55 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b8g n GLY 56 N 3.03 0.77 3.79 8.31 0.00 0.28 -4.99 105.19 116.38 2b8g n GLY 56 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 2b8g n GLY 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b8g s ASP 57 N -2.57 6.30 0.33 1.61 -1.08 -0.86 -4.66 116.67 115.74 2b8g s ASP 57 Ca 0.00 1.97 -0.27 0.00 -0.52 0.00 0.00 52.55 53.74 2b8g s ASP 57 Cb 0.00 -2.57 -0.09 0.00 -1.46 0.00 0.00 42.92 38.80 2b8g s ASP 57 CO 0.00 -0.81 1.03 0.12 0.52 0.00 0.00 175.17 176.03 2b8g s PHE 58 N -1.92 3.54 0.11 -5.34 5.36 -1.26 -0.87 117.98 117.59 2b8g s PHE 58 Ca 0.67 1.72 -0.09 0.00 -0.96 0.00 0.00 56.93 58.27 2b8g s PHE 58 Cb -0.18 -3.12 0.00 0.00 -0.34 0.00 0.00 43.02 39.38 2b8g s PHE 58 CO 0.22 -0.31 0.23 0.14 -1.46 0.00 0.00 175.22 174.03 2b8g s VAL 59 N -1.43 0.12 0.24 3.12 -7.23 -0.76 -4.91 120.40 109.55 2b8g s VAL 59 Ca 0.50 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 59.39 2b8g s VAL 59 Cb -0.25 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 2b8g s VAL 59 CO 0.32 -0.56 0.42 0.20 -0.31 0.00 0.00 175.10 175.17 2b8g s ASN 60 N -2.88 -0.06 0.03 4.85 0.01 -1.25 -1.87 114.94 113.78 2b8g s ASN 60 Ca 0.07 -0.99 -0.33 0.00 -0.71 0.00 0.00 52.86 50.90 2b8g s ASN 60 Cb 0.04 0.55 -0.12 0.00 0.41 0.00 0.00 41.25 42.14 2b8g s ASN 60 CO -0.09 -1.09 1.81 1.21 -1.51 0.00 0.00 177.10 177.43 2b8g n GLU 61 N -0.36 2.39 -0.25 -0.60 2.13 -1.20 -1.60 120.64 121.14 2b8g n GLU 61 Ca -0.01 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.68 2b8g n GLU 61 Cb 0.63 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.61 2b8g n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b8g n GLY 62 N 4.16 1.66 3.74 8.31 0.00 -0.07 -4.91 105.19 118.08 2b8g n GLY 62 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2b8g n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b8g s ASP 63 N -3.26 7.08 0.78 1.61 -1.08 -0.63 -4.81 116.67 116.37 2b8g s ASP 63 Ca 0.00 2.26 -0.12 0.00 -0.52 0.00 0.00 52.55 54.17 2b8g s ASP 63 Cb 0.00 -2.61 0.07 0.00 -1.46 0.00 0.00 42.92 38.92 2b8g s ASP 63 CO 0.00 -0.37 1.13 0.68 0.52 0.00 0.00 175.17 177.14 2b8g s VAL 64 N -0.19 2.76 0.00 1.11 -7.23 -1.26 -0.19 120.40 115.40 2b8g s VAL 64 Ca 0.52 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.98 2b8g s VAL 64 Cb -0.33 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2b8g s VAL 64 CO 0.38 -0.28 0.00 -0.11 -0.31 0.00 0.00 175.10 174.78 2b8g n LEU 65 N -3.32 0.59 -3.81 1.32 7.94 -0.63 -4.60 117.00 114.49 2b8g n LEU 65 Ca 0.11 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.89 2b8g n LEU 65 Cb 0.52 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.37 2b8g n LEU 65 CO 0.50 -0.04 -0.08 -0.76 -1.11 0.00 0.00 177.39 175.90 2b8g s LEU 66 N -4.35 1.15 0.00 -1.96 1.43 -0.50 -0.20 118.68 114.25 2b8g s LEU 66 Ca 0.00 0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 2b8g s LEU 66 Cb 0.00 0.94 -0.02 0.00 0.03 0.00 0.00 46.19 47.14 2b8g s LEU 66 CO 0.00 -0.30 -0.17 -0.70 0.23 0.00 0.00 176.35 175.41 2b8g s GLU 67 N -0.87 1.28 0.02 1.70 2.12 -0.42 -1.36 118.70 121.16 2b8g s GLU 67 Ca -0.10 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 54.62 2b8g s GLU 67 Cb -0.05 -1.27 -0.02 0.00 0.26 0.00 0.00 34.13 33.06 2b8g s GLU 67 CO 0.02 0.34 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.43 2b8g s LEU 68 N -0.61 2.10 0.00 2.70 1.43 -1.26 -0.60 118.68 122.45 2b8g s LEU 68 Ca 0.06 -0.36 0.18 0.00 -1.03 0.00 0.00 54.13 52.98 2b8g s LEU 68 Cb -0.07 -0.63 0.86 0.00 0.03 0.00 0.00 46.19 46.38 2b8g s LEU 68 CO -0.00 0.09 1.57 -1.20 0.23 0.00 0.00 176.35 177.04 2b8g n SER 69 N 2.29 0.00 -2.55 2.29 7.64 0.51 -2.86 113.62 120.94 2b8g n SER 69 Ca -0.16 0.25 -0.22 0.00 1.01 0.00 0.00 58.87 59.75 2b8g n SER 69 Cb 0.55 -0.39 0.01 0.00 -1.01 0.00 0.00 64.21 63.37 2b8g n SER 69 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2b8g n ASN 70 N -1.39 3.74 0.00 6.43 5.15 -1.25 -4.64 115.26 123.30 2b8g n ASN 70 Ca 0.07 -3.43 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 2b8g n ASN 70 Cb 0.18 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.94 2b8g n ASN 70 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2b8g n SER 71 N -0.35 0.38 -0.08 1.20 7.64 -1.14 -4.62 113.62 116.66 2b8g n SER 71 Ca 0.30 -1.15 -0.07 0.00 1.01 0.00 0.00 58.87 58.96 2b8g n SER 71 Cb 0.70 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.76 2b8g n SER 71 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2b8g n THR 72 N -0.08 1.07 0.00 0.44 -1.04 -1.26 -5.01 114.28 108.41 2b8g n THR 72 Ca 0.00 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 2b8g n THR 72 Cb 0.36 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 2b8g n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43