#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3o h SER -8 N 0.00 -0.03 -0.88 0.26 4.64 -2.12 -3.28 113.55 112.13 1t3o h SER -8 Ca 0.00 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.59 1t3o h SER -8 Cb 0.00 0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1t3o h SER -8 CO 0.00 -0.02 2.40 -0.24 -0.87 0.00 0.00 176.83 178.10 1t3o n SER -7 N -2.11 4.62 -2.19 4.97 2.88 -1.26 -4.58 113.62 115.95 1t3o n SER -7 Ca -0.00 -2.97 -0.30 0.00 -1.33 0.00 0.00 58.87 54.26 1t3o n SER -7 Cb 0.02 -1.59 0.06 0.00 -0.75 0.00 0.00 64.21 61.95 1t3o n SER -7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3o n GLY -6 N 3.70 6.07 3.55 0.46 0.00 -1.24 -5.00 105.19 112.74 1t3o n GLY -6 Ca 0.45 -2.43 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 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 -3.73 2.60 -0.52 1.61 5.65 -1.26 -4.97 115.29 114.67 1t3o s HIS -5 Ca 0.59 0.18 -0.25 0.00 0.25 0.00 0.00 55.06 55.83 1t3o s HIS -5 Cb 0.47 -4.41 0.03 0.00 -1.18 0.00 0.00 32.58 27.49 1t3o s HIS -5 CO 0.01 -1.62 0.96 -1.50 -0.65 0.00 0.00 174.74 171.94 1t3o s ILE -4 N 4.79 4.39 -1.04 0.89 1.10 -1.26 -4.86 121.20 125.21 1t3o s ILE -4 Ca 0.37 0.51 0.18 0.00 -0.51 0.00 0.00 60.65 61.20 1t3o s ILE -4 Cb -0.09 -4.52 0.73 0.00 0.15 0.00 0.00 42.46 38.73 1t3o s ILE -4 CO 0.21 -1.03 1.64 -0.62 -2.11 0.00 0.00 174.94 173.04 1t3o n GLU -3 N 7.44 3.84 -0.18 3.50 1.02 -1.26 -4.02 120.64 130.97 1t3o n GLU -3 Ca 0.04 -2.92 0.06 0.00 -0.02 0.00 0.00 57.16 54.32 1t3o n GLU -3 Cb 0.48 -1.92 0.18 0.00 -0.02 0.00 0.00 31.44 30.15 1t3o n GLU -3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t3o n GLY -2 N 1.06 0.68 3.95 0.62 0.00 -1.26 -4.88 105.19 105.36 1t3o n GLY -2 Ca 0.26 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.53 2.73 -0.05 1.61 1.70 -1.26 -4.75 118.95 117.40 1t3o s ARG -1 Ca 0.25 -0.48 -0.00 0.00 -0.47 0.00 0.00 55.73 55.03 1t3o s ARG -1 Cb 0.13 -2.43 0.03 0.00 -0.57 0.00 0.00 34.95 32.11 1t3o s ARG -1 CO 0.17 -0.64 0.00 -3.38 -1.08 0.00 0.00 175.30 170.37 1t3o s HIS 0 N -2.80 0.44 -0.23 5.89 -3.43 -1.23 -4.94 115.29 108.98 1t3o s HIS 0 Ca 0.54 -0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.76 1t3o s HIS 0 Cb -0.10 -0.57 0.03 0.00 -1.43 0.00 0.00 32.58 30.51 1t3o s HIS 0 CO 0.40 -0.20 -0.11 1.41 -2.00 0.00 0.00 174.74 174.24 1t3o s MET 1 N 1.44 2.73 -0.19 -0.38 0.00 -1.26 -1.91 119.30 119.74 1t3o s MET 1 Ca -0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 55.69 54.58 1t3o s MET 1 Cb -0.13 -2.86 -0.02 0.00 0.00 0.00 0.00 34.83 31.82 1t3o s MET 1 CO -0.03 -0.39 -0.02 -1.17 0.00 0.00 0.00 175.02 173.41 1t3o s LEU 2 N 1.26 3.21 -0.20 4.11 1.98 0.06 -4.93 118.68 124.17 1t3o s LEU 2 Ca -0.01 -0.20 -0.10 0.00 -2.89 0.00 0.00 54.13 50.93 1t3o s LEU 2 Cb -0.17 -1.80 -0.05 0.00 0.66 0.00 0.00 46.19 44.84 1t3o s LEU 2 CO -0.07 0.09 0.13 0.68 -1.89 0.00 0.00 176.35 175.29 1t3o s VAL 3 N 0.83 5.39 -0.12 1.68 -7.23 -1.26 -1.07 120.40 118.61 1t3o s VAL 3 Ca -0.00 0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 60.34 1t3o s VAL 3 Cb -0.14 -3.46 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 1t3o s VAL 3 CO 0.02 0.44 -0.08 -0.76 -0.31 0.00 0.00 175.10 174.41 1t3o s LEU 4 N 0.37 3.05 -0.49 1.32 1.43 0.27 -4.56 118.68 120.07 1t3o s LEU 4 Ca 0.08 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 52.78 1t3o s LEU 4 Cb -0.11 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1t3o s LEU 4 CO -0.02 0.23 0.89 -0.44 0.23 0.00 0.00 176.35 177.25 1t3o s SER 5 N -0.03 6.41 -0.12 2.29 0.01 -1.26 0.25 113.70 121.26 1t3o s SER 5 Ca -0.01 -0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.08 1t3o s SER 5 Cb -0.14 -2.43 0.06 0.00 0.21 0.00 0.00 66.02 63.73 1t3o s SER 5 CO 0.03 -1.09 0.19 -0.60 0.41 0.00 0.00 173.24 172.19 1t3o s ARG 6 N 3.70 0.09 -0.24 12.44 6.06 -1.13 -4.93 118.95 134.93 1t3o s ARG 6 Ca 0.32 0.52 0.14 0.00 -2.50 0.00 0.00 55.73 54.21 1t3o s ARG 6 Cb -0.12 -0.44 0.82 0.00 0.06 0.00 0.00 34.95 35.27 1t3o s ARG 6 CO 0.23 -0.38 1.75 1.63 -2.50 0.00 0.00 175.30 176.03 1t3o n LYS 7 N 5.33 4.88 0.00 5.12 4.01 -1.23 -3.64 118.16 132.63 1t3o n LYS 7 Ca -0.05 -3.17 0.11 0.00 -0.51 0.00 0.00 58.31 54.69 1t3o n LYS 7 Cb 0.50 -2.27 0.04 0.00 -0.51 0.00 0.00 35.03 32.79 1t3o n LYS 7 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1t3o n ILE 8 N 0.59 0.00 -4.35 -0.18 5.41 -1.26 -4.96 119.36 114.61 1t3o n ILE 8 Ca 0.28 -0.24 -0.34 0.00 1.00 0.00 0.00 62.75 63.45 1t3o n ILE 8 Cb 1.20 1.15 -0.08 0.00 -0.71 0.00 0.00 39.64 41.20 1t3o n ILE 8 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1t3o n ASN 9 N -0.11 -0.19 -4.66 4.38 0.23 -1.24 -4.93 115.26 108.74 1t3o n ASN 9 Ca 0.10 -1.23 -0.26 0.00 -0.53 0.00 0.00 54.58 52.65 1t3o n ASN 9 Cb 0.45 -1.79 0.11 0.00 -2.08 0.00 0.00 39.78 36.47 1t3o n ASN 9 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1t3o s GLU 10 N -7.25 1.67 -0.08 -3.83 -1.05 -1.26 -5.08 118.70 101.82 1t3o s GLU 10 Ca 0.28 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 1t3o s GLU 10 Cb -0.16 -2.14 -0.03 0.00 -0.44 0.00 0.00 34.13 31.35 1t3o s GLU 10 CO 0.99 -1.57 -0.06 0.00 0.95 0.00 0.00 175.26 175.57 1t3o s ALA 11 N -3.36 2.99 -0.36 -0.84 0.00 -1.26 -4.73 121.76 114.20 1t3o s ALA 11 Ca 0.65 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 1t3o s ALA 11 Cb -0.07 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.81 1t3o s ALA 11 CO 0.46 0.55 0.16 0.42 0.00 0.00 0.00 175.76 177.35 1t3o s ILE 12 N -0.73 4.27 -0.35 0.00 -1.09 -1.15 -4.96 121.20 117.20 1t3o s ILE 12 Ca 0.11 -0.93 0.04 0.00 -2.23 0.00 0.00 60.65 57.64 1t3o s ILE 12 Cb -0.11 -3.38 0.10 0.00 -1.58 0.00 0.00 42.46 37.49 1t3o s ILE 12 CO 0.02 -0.19 0.06 -1.58 -1.23 0.00 0.00 174.94 172.02 1t3o s GLN 13 N 1.50 1.48 -0.23 2.79 2.00 -1.26 -0.73 119.66 125.22 1t3o s GLN 13 Ca 0.01 -1.89 -0.00 0.00 -2.00 0.00 0.00 55.36 51.47 1t3o s GLN 13 Cb -0.19 -3.17 0.03 0.00 0.80 0.00 0.00 33.01 30.47 1t3o s GLN 13 CO 0.05 -0.95 -0.10 0.96 -0.50 0.00 0.00 175.29 174.74 1t3o s ILE 14 N 0.86 2.60 0.00 -2.34 -0.00 -0.12 -4.89 121.20 117.31 1t3o s ILE 14 Ca 0.11 -1.03 0.00 0.00 -0.00 0.00 0.00 60.65 59.73 1t3o s ILE 14 Cb -0.19 -2.27 0.00 0.00 -0.00 0.00 0.00 42.46 39.99 1t3o s ILE 14 CO -0.08 0.28 0.00 0.61 -0.00 0.00 0.00 174.94 175.75 1t3o n GLY 15 N 4.63 1.99 0.00 6.27 0.00 -1.26 -3.05 105.19 113.77 1t3o n GLY 15 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.00 0.05 4.61 0.00 -1.26 -5.01 120.51 118.90 1t3o n ALA 16 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1t3o n ALA 16 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 0.28 -3.32 0.00 3.58 -1.91 -3.45 116.42 111.60 1t3o h ASP 17 Ca 0.00 -0.40 -0.44 0.00 0.42 0.00 0.00 57.03 56.61 1t3o h ASP 17 Cb 0.00 -0.09 -0.36 0.00 1.72 0.00 0.00 39.33 40.60 1t3o h ASP 17 CO 0.00 1.33 -0.78 -0.63 -2.88 0.00 0.00 179.24 176.29 1t3o s ILE 18 N -2.63 0.56 -0.12 2.25 -1.09 -1.21 -5.07 121.20 113.89 1t3o s ILE 18 Ca -0.07 -0.04 -0.04 0.00 -2.23 0.00 0.00 60.65 58.27 1t3o s ILE 18 Cb 0.07 -0.64 0.05 0.00 -1.58 0.00 0.00 42.46 40.36 1t3o s ILE 18 CO 0.84 0.27 0.08 -1.83 -1.23 0.00 0.00 174.94 173.07 1t3o s GLU 19 N 1.54 0.01 0.00 2.79 1.03 -1.25 -0.95 118.70 121.87 1t3o s GLU 19 Ca -0.01 0.10 0.00 0.00 0.03 0.00 0.00 54.97 55.09 1t3o s GLU 19 Cb -0.13 -1.31 0.00 0.00 -0.80 0.00 0.00 34.13 31.88 1t3o s GLU 19 CO -0.04 -0.54 0.00 1.55 -1.33 0.00 0.00 175.26 174.90 1t3o n VAL 20 N 5.29 0.00 -3.73 1.83 3.14 0.09 -4.97 118.33 119.98 1t3o n VAL 20 Ca -0.05 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.03 1t3o n VAL 20 Cb 0.49 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.13 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 -2.00 0.74 -0.50 1.45 0.00 -1.26 -2.92 119.74 115.25 1t3o s LYS 21 Ca 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 55.97 54.66 1t3o s LYS 21 Cb 0.00 -2.01 0.06 0.00 0.00 0.00 0.00 37.83 35.88 1t3o s LYS 21 CO 0.00 -1.00 0.60 0.08 0.00 0.00 0.00 175.35 175.04 1t3o s VAL 22 N 1.55 4.91 -0.08 1.79 1.01 -1.14 -4.88 120.40 123.55 1t3o s VAL 22 Ca 0.10 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 1t3o s VAL 22 Cb -0.18 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1t3o s VAL 22 CO -0.24 -0.78 0.54 -0.63 0.00 0.00 0.00 175.10 174.00 1t3o s ILE 23 N 2.54 5.10 0.26 2.22 1.01 -1.26 0.56 121.20 131.64 1t3o s ILE 23 Ca 0.14 1.11 0.07 0.00 0.00 0.00 0.00 60.65 61.97 1t3o s ILE 23 Cb -0.19 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1t3o s ILE 23 CO 0.12 0.34 -0.09 0.00 0.00 0.00 0.00 174.94 175.30 1t3o s ALA 24 N 0.45 2.31 -0.35 9.38 0.00 0.57 -4.97 121.76 129.14 1t3o s ALA 24 Ca 0.29 -1.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.21 1t3o s ALA 24 Cb -0.16 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1t3o s ALA 24 CO 0.13 -0.01 0.62 0.08 0.00 0.00 0.00 175.76 176.58 1t3o s VAL 25 N -2.95 4.91 -0.96 0.00 1.01 -1.26 -3.04 120.40 118.10 1t3o s VAL 25 Ca 0.28 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 1t3o s VAL 25 Cb 0.02 -4.06 0.33 0.00 0.00 0.00 0.00 36.38 32.67 1t3o s VAL 25 CO 0.11 -0.30 1.87 1.21 0.00 0.00 0.00 175.10 177.99 1t3o n GLU 26 N 6.00 4.53 0.00 2.72 4.07 0.68 -4.90 120.64 133.74 1t3o n GLU 26 Ca -0.02 -4.31 0.00 0.00 -0.06 0.00 0.00 57.16 52.77 1t3o n GLU 26 Cb 0.49 -2.40 0.00 0.00 -0.06 0.00 0.00 31.44 29.47 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 -0.22 1.73 0.39 8.31 0.00 -1.26 -1.72 105.19 112.41 1t3o n GLY 27 Ca 0.49 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1t3o n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t3o n ASP 28 N 3.51 0.00 -4.55 1.61 5.75 -1.26 -5.08 116.55 116.52 1t3o n ASP 28 Ca 0.00 -1.75 -0.29 0.00 -0.01 0.00 0.00 54.79 52.74 1t3o n ASP 28 Cb 0.00 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 39.84 1t3o n ASP 28 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1t3o s GLN 29 N 0.00 2.00 -0.16 0.11 0.74 -0.70 -5.11 119.66 116.53 1t3o s GLN 29 Ca 0.00 -1.10 -0.03 0.00 0.05 0.00 0.00 55.36 54.28 1t3o s GLN 29 Cb 0.00 -2.23 -0.02 0.00 1.10 0.00 0.00 33.01 31.86 1t3o s GLN 29 CO 0.00 0.49 -0.06 0.14 -0.55 0.00 0.00 175.29 175.31 1t3o s VAL 30 N -1.24 3.55 0.04 1.34 -7.23 -1.26 -0.23 120.40 115.37 1t3o s VAL 30 Ca 0.21 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.93 1t3o s VAL 30 Cb -0.11 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 1t3o s VAL 30 CO 0.13 0.48 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.73 1t3o s LYS 31 N 0.63 0.52 0.39 4.82 -2.85 -1.17 -2.85 119.74 119.23 1t3o s LYS 31 Ca -0.04 -0.70 0.02 0.00 -1.00 0.00 0.00 55.97 54.26 1t3o s LYS 31 Cb -0.15 -0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 35.30 1t3o s LYS 31 CO 0.03 0.06 0.57 -0.48 0.10 0.00 0.00 175.35 175.63 1t3o s LEU 32 N -1.42 3.85 -0.04 2.77 0.05 0.14 -0.32 118.68 123.70 1t3o s LEU 32 Ca -0.09 0.17 -0.10 0.00 0.05 0.00 0.00 54.13 54.17 1t3o s LEU 32 Cb -0.09 -3.06 0.02 0.00 -2.05 0.00 0.00 46.19 41.01 1t3o s LEU 32 CO 0.00 -0.51 0.23 -0.83 -0.55 0.00 0.00 176.35 174.69 1t3o s GLY 33 N -4.16 -0.10 -0.14 -3.48 0.00 0.19 0.96 107.32 100.59 1t3o s GLY 33 Ca 0.45 0.34 -0.00 0.00 0.00 0.00 0.00 44.72 45.51 1t3o s GLY 33 CO 0.35 0.20 -0.13 -0.26 0.00 0.00 0.00 173.10 173.26 1t3o s ILE 34 N -0.72 2.95 -0.15 0.90 -4.36 -0.24 -2.86 121.20 116.72 1t3o s ILE 34 Ca -0.08 -0.69 0.01 0.00 -0.26 0.00 0.00 60.65 59.63 1t3o s ILE 34 Cb -0.04 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.42 1t3o s ILE 34 CO 0.02 0.52 -0.18 -0.62 0.24 0.00 0.00 174.94 174.92 1t3o s ASP 35 N 0.54 3.45 0.11 4.36 2.15 -1.26 -0.76 116.67 125.27 1t3o s ASP 35 Ca -0.09 -0.53 0.11 0.00 0.43 0.00 0.00 52.55 52.47 1t3o s ASP 35 Cb -0.16 -1.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.90 1t3o s ASP 35 CO 0.04 0.07 -0.27 0.00 -0.17 0.00 0.00 175.17 174.84 1t3o s ALA 36 N 0.88 2.36 -0.87 3.66 0.00 -0.80 -4.99 121.76 122.00 1t3o s ALA 36 Ca -0.04 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1t3o s ALA 36 Cb -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1t3o s ALA 36 CO -0.02 0.54 0.37 -2.30 0.00 0.00 0.00 175.76 174.35 1t3o n PRO 37 N 1.10 0.65 -2.08 0.00 -0.02 -1.26 -3.49 135.00 129.90 1t3o n PRO 37 Ca -0.18 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.24 1t3o n PRO 37 Cb 0.53 -1.30 -0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1t3o n PRO 37 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1t3o n LYS 38 N 0.24 -0.54 0.00 -0.52 3.00 -1.26 -4.98 118.16 114.10 1t3o n LYS 38 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 1t3o n LYS 38 Cb 0.18 -4.23 0.00 0.00 0.00 0.00 0.00 35.03 30.99 1t3o n LYS 38 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1t3o n HIS 39 N -3.94 -1.20 -3.99 5.64 1.44 -1.26 -5.07 115.22 106.84 1t3o n HIS 39 Ca -0.08 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.35 1t3o n HIS 39 Cb 0.54 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.61 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 -0.29 5.01 -0.46 0.61 -0.00 -1.26 -5.05 121.20 119.76 1t3o s ILE 40 Ca 0.00 -0.74 -0.26 0.00 -0.00 0.00 0.00 60.65 59.64 1t3o s ILE 40 Cb 0.00 -3.53 0.03 0.00 -0.00 0.00 0.00 42.46 38.96 1t3o s ILE 40 CO 0.00 -0.02 0.98 -0.62 -0.00 0.00 0.00 174.94 175.27 1t3o s ASP 41 N -2.95 6.54 0.32 4.36 2.15 -1.26 -5.02 116.67 120.82 1t3o s ASP 41 Ca 0.33 0.22 -0.17 0.00 0.43 0.00 0.00 52.55 53.36 1t3o s ASP 41 Cb -0.11 -2.47 -0.09 0.00 -0.30 0.00 0.00 42.92 39.94 1t3o s ASP 41 CO 0.26 -1.09 0.77 -0.63 -0.17 0.00 0.00 175.17 174.32 1t3o s ILE 42 N 3.90 4.60 0.21 4.11 -1.09 -1.26 -5.05 121.20 126.62 1t3o s ILE 42 Ca 0.40 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.93 1t3o s ILE 42 Cb -0.09 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1t3o s ILE 42 CO 0.27 -0.14 0.09 -1.00 -1.23 0.00 0.00 174.94 172.93 1t3o s HIS 43 N -1.93 1.27 0.00 3.97 3.76 -1.26 -4.69 115.29 116.40 1t3o s HIS 43 Ca 0.54 -1.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 1t3o s HIS 43 Cb -0.11 -0.70 0.00 0.00 1.11 0.00 0.00 32.58 32.88 1t3o s HIS 43 CO 0.17 -0.44 0.00 -2.13 -0.85 0.00 0.00 174.74 171.50 1t3o n ARG 44 N -0.31 0.00 -0.04 1.40 3.00 -1.26 -4.94 116.66 114.50 1t3o n ARG 44 Ca -0.01 0.04 -0.09 0.00 -0.00 0.00 0.00 57.85 57.79 1t3o n ARG 44 Cb 0.65 -0.30 -0.03 0.00 0.00 0.00 0.00 32.46 32.78 1t3o n ARG 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1t3o n LYS 45 N -1.35 0.25 -2.96 -0.14 5.02 -1.26 -5.05 118.16 112.67 1t3o n LYS 45 Ca 0.00 0.11 -0.17 0.00 -2.02 0.00 0.00 58.31 56.23 1t3o n LYS 45 Cb 0.00 -0.93 0.01 0.00 -0.02 0.00 0.00 35.03 34.08 1t3o n LYS 45 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1t3o n GLU 46 N -3.73 0.93 -2.23 1.97 2.13 -1.26 -5.05 120.64 113.40 1t3o n GLU 46 Ca -0.17 -2.25 -0.43 0.00 0.66 0.00 0.00 57.16 54.97 1t3o n GLU 46 Cb 0.48 0.20 -0.02 0.00 0.27 0.00 0.00 31.44 32.37 1t3o n GLU 46 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1t3o s ILE 47 N -1.76 3.87 -1.39 6.31 -4.36 -1.26 -4.75 121.20 117.87 1t3o s ILE 47 Ca 0.23 1.00 0.25 0.00 -0.26 0.00 0.00 60.65 61.86 1t3o s ILE 47 Cb -0.02 -3.85 0.08 0.00 1.25 0.00 0.00 42.46 39.92 1t3o s ILE 47 CO 0.14 -0.32 1.39 0.00 0.24 0.00 0.00 174.94 176.40 1t3o n TYR 48 N 7.95 0.00 0.00 1.37 0.18 -1.26 -4.63 117.16 120.77 1t3o n TYR 48 Ca 0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.95 1t3o n TYR 48 Cb 0.45 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 39.26 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 -1.03 0.00 0.00 -3.48 4.77 -1.26 -4.88 117.00 111.11 1t3o n LEU 49 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1t3o n LEU 49 Cb 0.35 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1t3o n LEU 49 CO 0.32 -0.42 0.00 0.41 -1.33 0.00 0.00 177.39 176.37 1t3o n THR 50 N -2.29 0.00 0.19 -5.08 -1.04 -1.26 -4.74 114.28 100.05 1t3o n THR 50 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1t3o n THR 50 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 1t3o n THR 50 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1t3o h ILE 51 N 0.00 0.65 0.00 12.58 2.04 -1.96 0.20 117.51 131.02 1t3o h ILE 51 Ca 0.00 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1t3o h ILE 51 Cb 0.00 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1t3o h ILE 51 CO 0.00 0.08 -0.43 0.06 0.00 0.00 0.00 178.15 177.86 1t3o h GLN 52 N -0.72 0.00 -0.59 2.37 3.07 -1.91 -2.71 115.11 114.62 1t3o h GLN 52 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.63 1t3o h GLN 52 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 1t3o h GLN 52 CO 0.08 0.00 0.12 1.49 0.09 0.00 0.00 178.83 180.61 1t3o h GLU 53 N 0.00 0.95 0.20 0.06 4.57 -1.87 0.43 114.58 118.93 1t3o h GLU 53 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1t3o h GLU 53 Cb 0.88 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1t3o h GLU 53 CO 0.00 0.89 -0.20 0.93 -1.18 0.00 0.00 179.01 179.45 1t3o h GLU 54 N 0.86 -0.42 0.00 1.92 4.39 -0.58 -3.42 114.58 117.33 1t3o h GLU 54 Ca 0.18 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1t3o h GLU 54 Cb 0.38 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1t3o h GLU 54 CO 0.01 -0.28 0.00 -1.71 -1.16 0.00 0.00 179.01 175.87 1t3o n ASN 55 N -5.32 0.00 0.00 1.42 2.85 -0.93 -4.58 115.26 108.69 1t3o n ASN 55 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1t3o n ASN 55 Cb 0.24 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.26 1t3o n ASN 55 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1t3o n ASN 56 N 0.00 0.00 0.19 1.20 5.15 0.15 -3.99 115.26 117.95 1t3o n ASN 56 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1t3o n ASN 56 Cb 0.00 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.64 1t3o n ASN 56 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1t3o n ARG 57 N -1.83 0.00 0.00 1.20 1.85 -1.26 -4.89 116.66 111.73 1t3o n ARG 57 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1t3o n ARG 57 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1t3o n ARG 57 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3o n ALA 58 N -3.45 0.00 -2.94 2.89 0.00 -1.26 -4.81 120.51 110.95 1t3o n ALA 58 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1t3o n ALA 58 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1t3o n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3o s ALA 59 N 0.00 3.93 0.46 0.00 0.00 -1.26 -5.04 121.76 119.85 1t3o s ALA 59 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1t3o s ALA 59 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1t3o s ALA 59 CO 0.00 0.44 0.00 0.00 0.00 0.00 0.00 175.76 176.20 1t3o n ALA 60 N -0.80 0.00 -0.77 0.00 0.00 -1.26 -4.56 120.51 113.12 1t3o n ALA 60 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1t3o n ALA 60 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1t3o n ALA 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1t3o n LEU 61 N 0.00 0.67 -1.82 0.00 7.94 -1.26 -4.83 117.00 117.69 1t3o n LEU 61 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 1t3o n LEU 61 Cb 0.00 -1.28 -0.08 0.00 0.53 0.00 0.00 43.42 42.59 1t3o n LEU 61 CO 0.00 -0.45 1.23 -0.24 -1.11 0.00 0.00 177.39 176.83 1t3o n SER 62 N -0.22 4.75 0.00 1.96 2.88 -1.26 -4.66 113.62 117.08 1t3o n SER 62 Ca 0.00 -2.33 0.00 0.00 -1.33 0.00 0.00 58.87 55.21 1t3o n SER 62 Cb 0.11 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1t3o n SER 62 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1t3o n SER 63 N 2.10 0.00 -3.44 -3.46 7.64 -1.26 -4.73 113.62 110.46 1t3o n SER 63 Ca 0.21 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.74 1t3o n SER 63 Cb 0.66 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.45 4.27 0.17 6.43 -0.08 -1.26 -0.12 116.55 126.40 1t3o n ASP 64 Ca 0.00 -2.56 0.00 0.00 -1.51 0.00 0.00 54.79 50.72 1t3o n ASP 64 Cb 0.00 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.23 1t3o n ASP 64 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1t3o n VAL 65 N 4.94 0.00 0.00 5.18 0.31 -1.26 -4.45 118.33 123.06 1t3o n VAL 65 Ca 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 1t3o n VAL 65 Cb 0.28 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1t3o n VAL 65 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1t3o n ILE 66 N -3.24 0.00 0.00 2.52 -6.64 -1.12 -5.07 119.36 105.81 1t3o n ILE 66 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1t3o n ILE 66 Cb 0.00 -0.07 0.00 0.00 -1.44 0.00 0.00 39.64 38.13 1t3o n ILE 66 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1t3o n SER 67 N -1.11 0.00 -4.65 7.28 2.88 0.83 -4.39 113.62 114.47 1t3o n SER 67 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1t3o n SER 67 Cb 0.12 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 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 -1.00 3.62 -0.03 -1.46 0.00 -1.26 -4.56 121.76 117.07 1t3o s ALA 68 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 1t3o s ALA 68 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1t3o s ALA 68 CO 0.00 -1.19 0.05 1.28 0.00 0.00 0.00 175.76 175.90 1t3o n LEU 69 N 6.48 -4.05 0.09 0.00 4.77 -1.26 -4.86 117.00 118.16 1t3o n LEU 69 Ca 0.11 1.22 -0.08 0.00 -0.03 0.00 0.00 56.01 57.23 1t3o n LEU 69 Cb 0.46 -2.05 -0.03 0.00 -2.33 0.00 0.00 43.42 39.48 1t3o n LEU 69 CO 0.54 -1.57 0.22 0.77 -1.33 0.00 0.00 177.39 176.02 1t3o h SER 70 N 1.93 0.17 -0.91 -1.43 4.64 -1.87 -3.25 113.55 112.84 1t3o h SER 70 Ca -0.11 -0.15 -0.55 0.00 -0.47 0.00 0.00 61.79 60.51 1t3o h SER 70 Cb 0.25 -0.05 -0.27 0.00 -0.31 0.00 0.00 62.40 62.01 1t3o h SER 70 CO 0.00 1.00 0.71 -1.54 -0.87 0.00 0.00 176.83 176.13 1t3o n SER 71 N -3.58 5.77 -4.73 4.97 3.41 -1.26 -4.96 113.62 113.25 1t3o n SER 71 Ca -0.03 -3.57 -0.42 0.00 -0.26 0.00 0.00 58.87 54.59 1t3o n SER 71 Cb 0.84 -0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 1t3o n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t3o s GLN 72 N -3.26 4.41 -0.28 4.33 -2.07 -1.23 -4.98 119.66 116.57 1t3o s GLN 72 Ca 0.56 1.94 -0.25 0.00 -1.82 0.00 0.00 55.36 55.78 1t3o s GLN 72 Cb 0.45 -3.26 0.00 0.00 -1.09 0.00 0.00 33.01 29.12 1t3o s GLN 72 CO 0.04 -0.25 0.88 0.15 -1.32 0.00 0.00 175.29 174.79 1t3o s LYS 73 N 0.44 4.07 0.00 9.60 3.01 -1.26 -5.17 119.74 130.43 1t3o s LYS 73 Ca 0.58 0.85 0.00 0.00 -1.01 0.00 0.00 55.97 56.39 1t3o s LYS 73 Cb -0.34 -3.70 0.00 0.00 -1.01 0.00 0.00 37.83 32.78 1t3o s LYS 73 CO 0.34 -0.67 0.00 1.17 0.51 0.00 0.00 175.35 176.69