#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3o n SER -8 N 0.00 -3.59 -1.83 0.41 2.88 -1.26 -4.94 113.62 105.30 1t3o n SER -8 Ca 0.00 0.78 -0.11 0.00 -1.33 0.00 0.00 58.87 58.21 1t3o n SER -8 Cb 0.00 3.40 -0.00 0.00 -0.75 0.00 0.00 64.21 66.85 1t3o n SER -8 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1t3o n SER -7 N -3.33 5.97 -0.15 -3.46 7.64 -1.26 -3.89 113.62 115.14 1t3o n SER -7 Ca 0.00 -2.80 0.13 0.00 1.01 0.00 0.00 58.87 57.21 1t3o n SER -7 Cb 0.00 -1.13 0.45 0.00 -1.01 0.00 0.00 64.21 62.52 1t3o n SER -7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3o n GLY -6 N 1.00 -0.88 3.70 0.23 0.00 -1.26 -4.82 105.19 103.16 1t3o n GLY -6 Ca 0.23 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1t3o n GLY -6 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t3o s HIS -5 N -2.60 3.33 -0.25 1.61 5.65 -1.25 -5.02 115.29 116.76 1t3o s HIS -5 Ca 0.23 1.31 -0.14 0.00 0.25 0.00 0.00 55.06 56.72 1t3o s HIS -5 Cb 0.19 -3.37 -0.04 0.00 -1.18 0.00 0.00 32.58 28.18 1t3o s HIS -5 CO 0.53 -1.10 0.32 -1.50 -0.65 0.00 0.00 174.74 172.35 1t3o s ILE -4 N 1.77 5.23 -0.02 0.89 1.10 -1.26 -4.96 121.20 123.96 1t3o s ILE -4 Ca 0.56 0.49 0.00 0.00 -0.51 0.00 0.00 60.65 61.19 1t3o s ILE -4 Cb -0.25 -3.65 0.02 0.00 0.15 0.00 0.00 42.46 38.73 1t3o s ILE -4 CO 0.24 0.23 1.13 -0.62 -2.11 0.00 0.00 174.94 173.81 1t3o n GLU -3 N 4.89 1.05 -3.18 3.50 4.71 -1.26 -4.71 120.64 125.63 1t3o n GLU -3 Ca -0.10 -0.11 -0.16 0.00 -0.01 0.00 0.00 57.16 56.78 1t3o n GLU -3 Cb 0.51 -1.04 0.05 0.00 -1.01 0.00 0.00 31.44 29.95 1t3o n GLU -3 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1t3o n GLY -2 N 0.54 -0.04 3.32 0.62 0.00 -1.26 -5.03 105.19 103.34 1t3o n GLY -2 Ca 0.02 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1t3o n GLY -2 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t3o s ARG -1 N -5.82 1.35 -0.07 1.61 1.70 -1.26 -3.32 118.95 113.13 1t3o s ARG -1 Ca 0.37 -1.70 -0.07 0.00 -0.47 0.00 0.00 55.73 53.87 1t3o s ARG -1 Cb -0.16 -0.49 0.02 0.00 -0.57 0.00 0.00 34.95 33.74 1t3o s ARG -1 CO 0.46 -0.16 0.20 -3.38 -1.08 0.00 0.00 175.30 171.34 1t3o s HIS 0 N -3.53 -0.21 -0.35 5.89 -3.43 0.09 -4.76 115.29 108.98 1t3o s HIS 0 Ca 0.31 0.52 0.00 0.00 -0.80 0.00 0.00 55.06 55.09 1t3o s HIS 0 Cb 0.07 0.07 0.09 0.00 -1.43 0.00 0.00 32.58 31.38 1t3o s HIS 0 CO 0.10 -0.10 0.08 1.41 -2.00 0.00 0.00 174.74 174.22 1t3o s MET 1 N 0.10 1.96 -0.23 -0.38 0.00 -1.26 -0.85 119.30 118.64 1t3o s MET 1 Ca -0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 55.69 53.93 1t3o s MET 1 Cb -0.01 -3.30 -0.05 0.00 0.00 0.00 0.00 34.83 31.47 1t3o s MET 1 CO 0.00 -0.88 0.13 -1.17 0.00 0.00 0.00 175.02 173.11 1t3o s LEU 2 N 1.09 3.97 -0.14 4.11 1.98 0.03 -4.92 118.68 124.80 1t3o s LEU 2 Ca 0.04 0.06 -0.07 0.00 -2.89 0.00 0.00 54.13 51.27 1t3o s LEU 2 Cb -0.21 -2.06 -0.04 0.00 0.66 0.00 0.00 46.19 44.55 1t3o s LEU 2 CO -0.05 0.07 0.12 0.54 -1.89 0.00 0.00 176.35 175.15 1t3o s VAL 3 N 1.00 5.36 -0.08 1.68 0.11 -1.26 -0.38 120.40 126.83 1t3o s VAL 3 Ca 0.06 0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1t3o s VAL 3 Cb -0.14 -3.36 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 1t3o s VAL 3 CO 0.04 0.57 -0.04 -0.22 -3.33 0.00 0.00 175.10 172.13 1t3o s LEU 4 N -0.66 3.35 -0.55 2.54 0.20 0.36 -4.82 118.68 119.10 1t3o s LEU 4 Ca 0.13 0.04 -0.24 0.00 0.69 0.00 0.00 54.13 54.75 1t3o s LEU 4 Cb -0.12 -1.75 0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1t3o s LEU 4 CO 0.02 0.35 0.93 -0.44 -0.29 0.00 0.00 176.35 176.92 1t3o s SER 5 N -0.73 6.33 -0.18 3.68 0.01 -1.26 -1.53 113.70 120.02 1t3o s SER 5 Ca 0.11 -0.39 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 1t3o s SER 5 Cb -0.11 -2.43 0.09 0.00 0.21 0.00 0.00 66.02 63.77 1t3o s SER 5 CO 0.02 -1.21 0.29 -0.13 0.41 0.00 0.00 173.24 172.61 1t3o s ARG 6 N 3.88 0.21 -0.24 12.44 1.81 -1.18 -4.97 118.95 130.89 1t3o s ARG 6 Ca 0.30 0.59 0.04 0.00 -1.72 0.00 0.00 55.73 54.93 1t3o s ARG 6 Cb -0.13 -0.40 0.44 0.00 -0.45 0.00 0.00 34.95 34.40 1t3o s ARG 6 CO 0.19 -0.45 1.49 1.63 -0.68 0.00 0.00 175.30 177.47 1t3o n LYS 7 N 5.35 2.20 -0.00 3.54 4.76 -1.18 -3.50 118.16 129.33 1t3o n LYS 7 Ca -0.06 -1.87 0.05 0.00 -2.87 0.00 0.00 58.31 53.56 1t3o n LYS 7 Cb 0.50 -1.79 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 1t3o n LYS 7 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1t3o n ILE 8 N -0.27 0.00 -2.72 -0.18 5.41 -1.26 -4.96 119.36 115.38 1t3o n ILE 8 Ca 0.32 -0.24 -0.17 0.00 1.00 0.00 0.00 62.75 63.66 1t3o n ILE 8 Cb 1.12 0.40 -0.00 0.00 -0.71 0.00 0.00 39.64 40.45 1t3o n ILE 8 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1t3o n ASN 9 N -1.74 -4.39 -4.38 4.38 3.02 -1.23 -4.95 115.26 105.98 1t3o n ASN 9 Ca -0.01 -0.02 -0.29 0.00 -0.03 0.00 0.00 54.58 54.22 1t3o n ASN 9 Cb 0.24 -3.67 0.18 0.00 -0.61 0.00 0.00 39.78 35.93 1t3o n ASN 9 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1t3o s GLU 10 N -5.34 0.23 -0.16 3.52 -1.05 -1.26 -5.04 118.70 109.60 1t3o s GLU 10 Ca 0.13 0.11 -0.03 0.00 -0.15 0.00 0.00 54.97 55.02 1t3o s GLU 10 Cb -0.06 -1.75 -0.03 0.00 -0.44 0.00 0.00 34.13 31.85 1t3o s GLU 10 CO 0.16 -2.78 -0.05 0.00 0.95 0.00 0.00 175.26 173.54 1t3o s ALA 11 N -3.24 2.96 -0.36 -0.84 0.00 -1.26 -4.69 121.76 114.32 1t3o s ALA 11 Ca 0.68 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.70 1t3o s ALA 11 Cb -0.12 -1.53 0.03 0.00 0.00 0.00 0.00 23.12 21.49 1t3o s ALA 11 CO 0.55 0.18 0.17 0.42 0.00 0.00 0.00 175.76 177.08 1t3o s ILE 12 N 0.42 4.31 -0.33 0.00 -1.09 -1.13 -4.95 121.20 118.44 1t3o s ILE 12 Ca -0.04 -0.92 0.04 0.00 -2.23 0.00 0.00 60.65 57.49 1t3o s ILE 12 Cb -0.14 -3.40 0.09 0.00 -1.58 0.00 0.00 42.46 37.43 1t3o s ILE 12 CO 0.03 -0.20 0.03 -1.58 -1.23 0.00 0.00 174.94 171.99 1t3o s GLN 13 N 1.51 1.63 -0.32 2.79 -0.44 -1.25 -1.05 119.66 122.52 1t3o s GLN 13 Ca 0.01 -1.79 -0.07 0.00 -2.50 0.00 0.00 55.36 51.01 1t3o s GLN 13 Cb -0.19 -3.17 0.03 0.00 -1.64 0.00 0.00 33.01 28.03 1t3o s GLN 13 CO 0.05 -0.88 0.10 0.96 0.50 0.00 0.00 175.29 176.02 1t3o s ILE 14 N 0.94 3.92 0.00 -2.34 -0.00 0.57 -4.88 121.20 119.41 1t3o s ILE 14 Ca 0.08 -0.94 0.00 0.00 -0.00 0.00 0.00 60.65 59.79 1t3o s ILE 14 Cb -0.19 -3.14 0.00 0.00 -0.00 0.00 0.00 42.46 39.13 1t3o s ILE 14 CO -0.07 -0.08 0.00 0.61 -0.00 0.00 0.00 174.94 175.39 1t3o n GLY 15 N 4.85 1.88 0.00 6.27 0.00 -1.26 -3.30 105.19 113.63 1t3o n GLY 15 Ca -0.13 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1t3o n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3o n ALA 16 N 0.08 0.00 0.05 4.61 0.00 -1.26 -4.97 120.51 119.02 1t3o n ALA 16 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1t3o n ALA 16 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1t3o n ALA 16 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1t3o h ASP 17 N 0.00 0.42 -3.65 0.00 3.58 -1.91 -3.41 116.42 111.45 1t3o h ASP 17 Ca 0.00 -0.24 -0.62 0.00 0.42 0.00 0.00 57.03 56.60 1t3o h ASP 17 Cb 0.00 -0.12 -0.38 0.00 1.72 0.00 0.00 39.33 40.55 1t3o h ASP 17 CO 0.00 0.92 -0.79 -0.63 -2.88 0.00 0.00 179.24 175.86 1t3o s ILE 18 N -3.84 1.59 -0.16 2.25 -1.09 -1.21 -5.06 121.20 113.69 1t3o s ILE 18 Ca -0.05 -1.28 -0.02 0.00 -2.23 0.00 0.00 60.65 57.07 1t3o s ILE 18 Cb 0.12 -1.85 0.05 0.00 -1.58 0.00 0.00 42.46 39.19 1t3o s ILE 18 CO 0.82 -0.11 0.01 -0.70 -1.23 0.00 0.00 174.94 173.73 1t3o s GLU 19 N 1.36 0.78 0.00 2.79 2.12 -1.24 -0.32 118.70 124.20 1t3o s GLU 19 Ca -0.06 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 54.96 1t3o s GLU 19 Cb -0.19 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.39 1t3o s GLU 19 CO -0.06 -0.52 0.00 1.55 -0.54 0.00 0.00 175.26 175.69 1t3o n VAL 20 N 5.04 0.00 -3.74 3.70 3.14 -0.21 -4.97 118.33 121.29 1t3o n VAL 20 Ca -0.09 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.99 1t3o n VAL 20 Cb 0.48 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.11 1t3o n VAL 20 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1t3o s LYS 21 N -1.80 0.83 -0.38 1.45 0.00 -1.26 -2.82 119.74 115.76 1t3o s LYS 21 Ca 0.00 -1.25 -0.09 0.00 0.00 0.00 0.00 55.97 54.63 1t3o s LYS 21 Cb 0.00 -2.10 0.04 0.00 0.00 0.00 0.00 37.83 35.78 1t3o s LYS 21 CO 0.00 -1.01 0.19 0.14 0.00 0.00 0.00 175.35 174.67 1t3o s VAL 22 N 1.40 4.28 -0.04 1.79 -7.23 -1.24 -4.93 120.40 114.42 1t3o s VAL 22 Ca 0.11 -1.08 -0.22 0.00 -1.81 0.00 0.00 61.98 58.98 1t3o s VAL 22 Cb -0.18 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 1t3o s VAL 22 CO -0.20 -0.30 0.65 -0.63 -0.31 0.00 0.00 175.10 174.31 1t3o s ILE 23 N 1.48 4.99 0.22 -0.62 1.01 -1.26 -0.43 121.20 126.59 1t3o s ILE 23 Ca 0.01 1.35 0.08 0.00 0.00 0.00 0.00 60.65 62.09 1t3o s ILE 23 Cb -0.20 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1t3o s ILE 23 CO 0.04 0.32 -0.15 0.00 0.00 0.00 0.00 174.94 175.16 1t3o s ALA 24 N 0.39 2.14 -0.19 9.38 0.00 0.42 -4.99 121.76 128.92 1t3o s ALA 24 Ca 0.34 -1.70 -0.19 0.00 0.00 0.00 0.00 51.96 50.41 1t3o s ALA 24 Cb -0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1t3o s ALA 24 CO 0.17 0.10 0.56 0.54 0.00 0.00 0.00 175.76 177.13 1t3o s VAL 25 N -2.90 5.08 -0.68 0.00 0.11 -1.26 -3.15 120.40 117.60 1t3o s VAL 25 Ca 0.24 1.06 0.00 0.00 -2.93 0.00 0.00 61.98 60.35 1t3o s VAL 25 Cb -0.01 -3.88 0.39 0.00 -1.53 0.00 0.00 36.38 31.34 1t3o s VAL 25 CO 0.08 0.17 1.73 1.21 -3.33 0.00 0.00 175.10 174.96 1t3o n GLU 26 N 4.73 2.98 0.00 1.54 4.07 -0.28 -4.96 120.64 128.72 1t3o n GLU 26 Ca -0.04 -3.80 0.00 0.00 -0.06 0.00 0.00 57.16 53.27 1t3o n GLU 26 Cb 0.50 -2.27 0.00 0.00 -0.06 0.00 0.00 31.44 29.61 1t3o n GLU 26 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1t3o n GLY 27 N -0.59 1.88 0.46 8.31 0.00 -1.26 -1.92 105.19 112.08 1t3o n GLY 27 Ca 0.51 0.20 0.03 0.00 0.00 0.00 0.00 46.02 46.75 1t3o n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t3o n ASP 28 N 4.22 0.62 -4.47 1.61 8.00 -1.26 -5.04 116.55 120.23 1t3o n ASP 28 Ca 0.00 -2.28 -0.30 0.00 0.71 0.00 0.00 54.79 52.92 1t3o n ASP 28 Cb 0.00 -0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 40.72 1t3o n ASP 28 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1t3o s GLN 29 N -0.71 1.93 -0.20 -1.24 0.74 -0.81 -5.12 119.66 114.25 1t3o s GLN 29 Ca 0.10 -1.08 -0.04 0.00 0.05 0.00 0.00 55.36 54.39 1t3o s GLN 29 Cb 0.09 -2.15 -0.02 0.00 1.10 0.00 0.00 33.01 32.03 1t3o s GLN 29 CO -0.00 0.51 -0.03 0.08 -0.55 0.00 0.00 175.29 175.30 1t3o s VAL 30 N -1.03 3.68 0.02 1.34 1.01 -1.26 -1.13 120.40 123.03 1t3o s VAL 30 Ca 0.16 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1t3o s VAL 30 Cb -0.11 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1t3o s VAL 30 CO 0.08 0.44 -0.05 -1.59 0.00 0.00 0.00 175.10 173.97 1t3o s LYS 31 N 1.06 0.39 0.32 2.72 -2.85 -1.19 -3.07 119.74 117.12 1t3o s LYS 31 Ca 0.01 -0.47 0.06 0.00 -1.00 0.00 0.00 55.97 54.58 1t3o s LYS 31 Cb -0.15 -0.22 -0.01 0.00 -2.06 0.00 0.00 37.83 35.39 1t3o s LYS 31 CO 0.01 0.04 0.45 -0.48 0.10 0.00 0.00 175.35 175.47 1t3o s LEU 32 N -0.93 4.03 0.06 2.77 0.05 -0.58 -0.43 118.68 123.63 1t3o s LEU 32 Ca -0.06 -0.15 0.02 0.00 0.05 0.00 0.00 54.13 54.00 1t3o s LEU 32 Cb -0.06 -2.77 -0.03 0.00 -2.05 0.00 0.00 46.19 41.28 1t3o s LEU 32 CO -0.00 -0.37 -0.08 -0.83 -0.55 0.00 0.00 176.35 174.52 1t3o s GLY 33 N -4.14 0.59 -0.20 -3.48 0.00 0.43 0.13 107.32 100.65 1t3o s GLY 33 Ca 0.43 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 44.21 1t3o s GLY 33 CO 0.31 -0.95 -0.02 -0.26 0.00 0.00 0.00 173.10 172.18 1t3o s ILE 34 N -1.77 3.75 -0.13 0.90 -4.36 0.49 -3.71 121.20 116.37 1t3o s ILE 34 Ca -0.05 -0.38 0.01 0.00 -0.26 0.00 0.00 60.65 59.96 1t3o s ILE 34 Cb -0.07 -2.69 -0.01 0.00 1.25 0.00 0.00 42.46 40.94 1t3o s ILE 34 CO -0.00 0.43 -0.16 -0.62 0.24 0.00 0.00 174.94 174.83 1t3o s ASP 35 N 1.10 3.70 0.02 4.36 2.15 -1.26 -0.79 116.67 125.95 1t3o s ASP 35 Ca 0.02 -0.43 0.01 0.00 0.43 0.00 0.00 52.55 52.58 1t3o s ASP 35 Cb -0.14 -1.55 -0.02 0.00 -0.30 0.00 0.00 42.92 40.91 1t3o s ASP 35 CO 0.01 0.13 -0.04 0.00 -0.17 0.00 0.00 175.17 175.10 1t3o s ALA 36 N 0.53 0.25 0.00 3.66 0.00 -0.03 -4.98 121.76 121.18 1t3o s ALA 36 Ca -0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1t3o s ALA 36 Cb -0.16 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1t3o s ALA 36 CO 0.04 -0.07 1.83 -0.35 0.00 0.00 0.00 175.76 177.21 1t3o n PRO 37 N 1.96 0.93 -2.38 0.00 -0.04 -1.26 -0.73 135.00 133.48 1t3o n PRO 37 Ca -0.20 -0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 62.89 1t3o n PRO 37 Cb 0.56 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 1t3o n PRO 37 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1t3o n LYS 38 N 1.90 -1.94 -0.32 0.54 4.76 -1.21 -4.62 118.16 117.28 1t3o n LYS 38 Ca 0.09 0.81 -0.11 0.00 -2.87 0.00 0.00 58.31 56.22 1t3o n LYS 38 Cb 0.45 -5.43 0.10 0.00 -1.84 0.00 0.00 35.03 28.31 1t3o n LYS 38 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1t3o n HIS 39 N -3.62 -3.19 -3.53 2.13 1.44 -1.26 -5.03 115.22 102.17 1t3o n HIS 39 Ca -0.20 -0.35 -0.35 0.00 -2.01 0.00 0.00 57.72 54.82 1t3o n HIS 39 Cb 0.64 -0.43 -0.05 0.00 0.12 0.00 0.00 29.99 30.27 1t3o n HIS 39 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1t3o s ILE 40 N -1.66 5.04 -0.26 0.61 -0.00 -1.26 -5.05 121.20 118.62 1t3o s ILE 40 Ca 0.26 0.53 -0.20 0.00 -0.00 0.00 0.00 60.65 61.24 1t3o s ILE 40 Cb -0.03 -3.66 -0.02 0.00 -0.00 0.00 0.00 42.46 38.75 1t3o s ILE 40 CO 0.20 0.27 0.62 1.51 -0.00 0.00 0.00 174.94 177.54 1t3o s ASP 41 N -1.77 6.56 0.16 4.36 -4.77 -1.26 -5.03 116.67 114.92 1t3o s ASP 41 Ca 0.34 0.68 -0.24 0.00 -3.30 0.00 0.00 52.55 50.04 1t3o s ASP 41 Cb -0.14 -2.33 -0.08 0.00 -1.09 0.00 0.00 42.92 39.28 1t3o s ASP 41 CO 0.18 -0.36 0.74 -0.63 0.70 0.00 0.00 175.17 175.80 1t3o s ILE 42 N 2.49 4.45 0.23 2.11 -1.09 -1.26 -5.05 121.20 123.08 1t3o s ILE 42 Ca 0.26 1.57 0.02 0.00 -2.23 0.00 0.00 60.65 60.27 1t3o s ILE 42 Cb -0.15 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 1t3o s ILE 42 CO 0.09 0.48 0.04 -1.00 -1.23 0.00 0.00 174.94 173.31 1t3o s HIS 43 N -1.21 1.47 -0.25 3.97 3.76 -1.26 -4.73 115.29 117.04 1t3o s HIS 43 Ca 0.36 -1.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.21 1t3o s HIS 43 Cb -0.22 -0.86 0.07 0.00 1.11 0.00 0.00 32.58 32.69 1t3o s HIS 43 CO 0.24 -0.20 0.02 -0.98 -0.85 0.00 0.00 174.74 172.97 1t3o s ARG 44 N -3.94 1.10 0.00 1.40 1.70 -1.26 -4.90 118.95 113.04 1t3o s ARG 44 Ca 0.31 -0.89 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 1t3o s ARG 44 Cb 0.07 -2.34 0.00 0.00 -0.57 0.00 0.00 34.95 32.11 1t3o s ARG 44 CO 0.09 -0.72 0.00 1.17 -1.08 0.00 0.00 175.30 174.76 1t3o n LYS 45 N 4.80 0.00 -4.26 3.89 4.81 -1.26 -4.71 118.16 121.44 1t3o n LYS 45 Ca -0.08 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.11 1t3o n LYS 45 Cb 0.44 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.41 1t3o n LYS 45 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1t3o s GLU 46 N 0.00 2.27 -0.22 1.64 -1.05 -1.26 -5.07 118.70 115.02 1t3o s GLU 46 Ca 0.00 -1.26 -0.29 0.00 -0.15 0.00 0.00 54.97 53.26 1t3o s GLU 46 Cb 0.00 -2.23 -0.02 0.00 -0.44 0.00 0.00 34.13 31.44 1t3o s GLU 46 CO 0.00 0.42 1.43 0.96 0.95 0.00 0.00 175.26 179.02 1t3o s ILE 47 N -1.94 3.97 -1.14 1.83 -4.36 -1.26 -4.79 121.20 113.50 1t3o s ILE 47 Ca 0.28 1.12 0.25 0.00 -0.26 0.00 0.00 60.65 62.04 1t3o s ILE 47 Cb -0.08 -3.90 0.03 0.00 1.25 0.00 0.00 42.46 39.76 1t3o s ILE 47 CO 0.18 -0.29 1.39 0.00 0.24 0.00 0.00 174.94 176.46 1t3o n TYR 48 N 7.60 0.00 0.00 1.37 0.18 -1.26 -4.63 117.16 120.42 1t3o n TYR 48 Ca 0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.94 1t3o n TYR 48 Cb 0.45 -0.20 0.00 0.00 -0.38 0.00 0.00 39.34 39.21 1t3o n TYR 48 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1t3o n LEU 49 N -1.34 1.04 0.00 -3.48 4.32 -1.26 -4.86 117.00 111.43 1t3o n LEU 49 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1t3o n LEU 49 Cb 0.34 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 1t3o n LEU 49 CO 0.34 0.00 0.00 1.07 -1.22 0.00 0.00 177.39 177.58 1t3o n THR 50 N -0.74 0.00 0.27 -5.08 5.66 -1.26 -4.75 114.28 108.37 1t3o n THR 50 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1t3o n THR 50 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1t3o n THR 50 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1t3o h ILE 51 N 0.00 0.00 0.00 1.09 2.04 -1.98 0.39 117.51 119.05 1t3o h ILE 51 Ca 0.00 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 1t3o h ILE 51 Cb 0.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1t3o h ILE 51 CO 0.00 0.00 -0.43 0.06 0.00 0.00 0.00 178.15 177.78 1t3o h GLN 52 N -1.06 0.00 -0.50 2.37 3.07 -1.90 -3.11 115.11 113.98 1t3o h GLN 52 Ca -0.07 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.60 1t3o h GLN 52 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.09 1t3o h GLN 52 CO 0.12 0.43 0.05 1.49 0.09 0.00 0.00 178.83 181.01 1t3o h GLU 53 N 0.00 0.85 -0.23 0.06 4.22 -1.90 0.49 114.58 118.06 1t3o h GLU 53 Ca -0.00 -0.25 -0.05 0.00 0.08 0.00 0.00 59.36 59.14 1t3o h GLU 53 Cb 1.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1t3o h GLU 53 CO 0.06 0.86 -0.06 0.93 -2.18 0.00 0.00 179.01 178.62 1t3o h GLU 54 N 0.72 0.36 0.00 1.92 5.08 -0.97 -3.42 114.58 118.28 1t3o h GLU 54 Ca 0.15 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1t3o h GLU 54 Cb 0.45 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1t3o h GLU 54 CO 0.02 0.44 0.00 0.09 -1.00 0.00 0.00 179.01 178.56 1t3o n ASN 55 N -4.29 0.00 0.00 1.42 3.02 -0.59 -4.86 115.26 109.96 1t3o n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1t3o n ASN 55 Cb 0.25 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1t3o n ASN 55 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1t3o n ASN 56 N 0.00 0.00 0.02 6.41 2.85 0.16 -2.05 115.26 122.65 1t3o n ASN 56 Ca 0.00 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 1t3o n ASN 56 Cb 0.00 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 40.88 1t3o n ASN 56 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 1t3o h ARG 57 N 0.00 0.23 -2.97 1.20 -0.00 -1.92 -3.42 114.38 107.50 1t3o h ARG 57 Ca 0.00 -0.40 -0.62 0.00 -0.00 0.00 0.00 59.98 58.97 1t3o h ARG 57 Cb 0.00 0.15 -0.41 0.00 -0.00 0.00 0.00 29.97 29.71 1t3o h ARG 57 CO 0.00 1.08 -0.70 0.00 -0.00 0.00 0.00 179.97 180.36 1t3o s ALA 58 N -2.58 2.89 -0.26 0.08 0.00 -0.87 -5.07 121.76 115.95 1t3o s ALA 58 Ca -0.16 -3.20 -0.15 0.00 0.00 0.00 0.00 51.96 48.45 1t3o s ALA 58 Cb 0.07 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 1t3o s ALA 58 CO 0.80 -2.06 0.38 0.00 0.00 0.00 0.00 175.76 174.89 1t3o s ALA 59 N -0.57 3.57 0.00 0.00 0.00 -1.26 -4.51 121.76 118.99 1t3o s ALA 59 Ca 0.23 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1t3o s ALA 59 Cb -0.11 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1t3o s ALA 59 CO -0.11 -0.60 0.57 0.00 0.00 0.00 0.00 175.76 175.62 1t3o n ALA 60 N 5.20 1.37 -2.68 0.00 0.00 -1.26 -5.02 120.51 118.12 1t3o n ALA 60 Ca -0.08 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 1t3o n ALA 60 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 1t3o n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t3o s LEU 61 N 0.00 4.11 -0.29 0.00 1.43 -1.26 -4.42 118.68 118.25 1t3o s LEU 61 Ca 0.00 -2.21 0.03 0.00 -1.03 0.00 0.00 54.13 50.93 1t3o s LEU 61 Cb 0.00 -2.52 0.20 0.00 0.03 0.00 0.00 46.19 43.89 1t3o s LEU 61 CO 0.00 -1.18 0.60 -0.44 0.23 0.00 0.00 176.35 175.56 1t3o s SER 62 N 4.12 -1.54 0.00 2.29 0.01 -1.26 -4.64 113.70 112.69 1t3o s SER 62 Ca 0.47 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1t3o s SER 62 Cb 0.01 2.07 0.00 0.00 0.21 0.00 0.00 66.02 68.30 1t3o s SER 62 CO -0.01 -0.28 0.00 -1.20 0.41 0.00 0.00 173.24 172.16 1t3o n SER 63 N 5.42 0.00 -3.62 2.44 7.64 -1.26 -3.38 113.62 120.86 1t3o n SER 63 Ca 0.03 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.70 1t3o n SER 63 Cb 0.53 -2.09 0.01 0.00 -1.01 0.00 0.00 64.21 61.65 1t3o n SER 63 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1t3o n ASP 64 N 0.00 -5.59 0.00 6.43 2.03 -1.26 -4.93 116.55 113.23 1t3o n ASP 64 Ca 0.00 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.52 1t3o n ASP 64 Cb 0.00 -2.82 0.00 0.00 -0.72 0.00 0.00 41.12 37.58 1t3o n ASP 64 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1t3o n VAL 65 N -2.85 0.00 0.00 5.18 0.31 -1.22 -4.77 118.33 114.98 1t3o n VAL 65 Ca -0.19 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.25 1t3o n VAL 65 Cb 0.62 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1t3o n VAL 65 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1t3o n ILE 66 N -1.04 0.00 0.00 2.52 5.41 -1.26 -5.04 119.36 119.94 1t3o n ILE 66 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1t3o n ILE 66 Cb 0.00 -0.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.44 1t3o n ILE 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1t3o n SER 67 N -2.25 0.00 -4.59 4.38 2.88 -1.26 -4.76 113.62 108.02 1t3o n SER 67 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1t3o n SER 67 Cb 0.28 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.65 1t3o n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3o s ALA 68 N 0.00 3.54 -1.06 -1.46 0.00 -1.26 -4.30 121.76 117.22 1t3o s ALA 68 Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1t3o s ALA 68 Cb 0.00 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1t3o s ALA 68 CO 0.00 -0.87 0.90 1.28 0.00 0.00 0.00 175.76 177.07 1t3o n LEU 69 N 5.50 -4.35 -4.72 0.00 4.77 -1.26 -4.96 117.00 111.97 1t3o n LEU 69 Ca -0.06 -0.60 -0.35 0.00 -0.03 0.00 0.00 56.01 54.97 1t3o n LEU 69 Cb 0.50 -2.94 0.09 0.00 -2.33 0.00 0.00 43.42 38.73 1t3o n LEU 69 CO 0.40 0.27 0.84 -0.44 -1.33 0.00 0.00 177.39 177.13 1t3o s SER 70 N -3.97 4.25 -1.03 -1.43 0.01 -1.26 -3.55 113.70 106.72 1t3o s SER 70 Ca 0.14 2.49 -0.06 0.00 1.31 0.00 0.00 55.95 59.83 1t3o s SER 70 Cb -0.02 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.54 1t3o s SER 70 CO 0.67 -2.23 0.91 -1.20 0.41 0.00 0.00 173.24 171.80 1t3o n SER 71 N -2.46 -6.71 -4.74 2.44 7.64 -1.26 -4.92 113.62 103.62 1t3o n SER 71 Ca 0.15 -0.67 -0.42 0.00 1.01 0.00 0.00 58.87 58.94 1t3o n SER 71 Cb 0.49 -5.21 -0.03 0.00 -1.01 0.00 0.00 64.21 58.46 1t3o n SER 71 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1t3o s GLN 72 N -4.31 4.28 -0.52 1.43 -0.21 -1.23 -4.96 119.66 114.13 1t3o s GLN 72 Ca 0.43 2.26 -0.25 0.00 0.02 0.00 0.00 55.36 57.83 1t3o s GLN 72 Cb -0.06 -3.14 0.04 0.00 1.00 0.00 0.00 33.01 30.85 1t3o s GLN 72 CO 0.74 -0.43 0.95 0.15 -2.12 0.00 0.00 175.29 174.57 1t3o s LYS 73 N 0.06 3.41 0.00 2.91 3.01 -1.26 -5.25 119.74 122.62 1t3o s LYS 73 Ca 0.61 -0.10 0.03 0.00 -1.01 0.00 0.00 55.97 55.50 1t3o s LYS 73 Cb -0.41 -4.01 0.02 0.00 -1.01 0.00 0.00 37.83 32.42 1t3o s LYS 73 CO 0.39 -1.41 0.58 1.63 0.51 0.00 0.00 175.35 177.06