#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 -7.76 -0.59 0.41 2.88 -1.26 -4.79 113.62 102.51 1t3o n SER -8 Ca 0.00 0.71 0.08 0.00 -1.33 0.00 0.00 58.87 58.33 1t3o n SER -8 Cb 0.00 -5.00 -0.02 0.00 -0.75 0.00 0.00 64.21 58.44 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 0.01 -3.47 0.00 -3.46 7.64 -1.26 -4.96 113.62 108.12 1t3o n SER -7 Ca 0.07 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1t3o n SER -7 Cb 0.36 -1.68 0.00 0.00 -1.01 0.00 0.00 64.21 61.88 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 -2.17 0.49 3.46 0.23 0.00 -1.26 -5.03 105.19 100.91 1t3o n GLY -6 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.00 2.89 -0.33 1.61 5.65 -1.26 -4.66 115.29 117.20 1t3o s HIS -5 Ca 0.00 -0.35 -0.29 0.00 0.25 0.00 0.00 55.06 54.67 1t3o s HIS -5 Cb 0.00 -1.83 0.01 0.00 -1.18 0.00 0.00 32.58 29.58 1t3o s HIS -5 CO 0.00 -0.01 1.25 -1.50 -0.65 0.00 0.00 174.74 173.83 1t3o s ILE -4 N 0.01 4.20 -0.74 0.89 2.07 -1.26 -4.85 121.20 121.51 1t3o s ILE -4 Ca -0.02 1.34 0.12 0.00 -1.41 0.00 0.00 60.65 60.68 1t3o s ILE -4 Cb -0.14 -4.26 0.62 0.00 0.13 0.00 0.00 42.46 38.81 1t3o s ILE -4 CO 0.03 -0.56 1.47 -1.84 -1.91 0.00 0.00 174.94 172.14 1t3o n GLU -3 N 7.35 3.72 0.00 3.50 0.28 -1.26 -5.03 120.64 129.20 1t3o n GLU -3 Ca 0.14 -2.40 0.00 0.00 -0.16 0.00 0.00 57.16 54.74 1t3o n GLU -3 Cb 0.47 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1t3o n GLU -3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1t3o n GLY -2 N 0.69 -1.78 3.29 -1.84 0.00 -1.26 -4.96 105.19 99.33 1t3o n GLY -2 Ca 0.21 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 1.30 -0.05 1.61 1.70 -1.26 -4.04 118.95 118.21 1t3o s ARG -1 Ca 0.00 -1.68 -0.04 0.00 -0.47 0.00 0.00 55.73 53.54 1t3o s ARG -1 Cb 0.00 -0.28 0.02 0.00 -0.57 0.00 0.00 34.95 34.12 1t3o s ARG -1 CO 0.00 -0.23 0.13 -3.38 -1.08 0.00 0.00 175.30 170.74 1t3o s HIS 0 N -3.71 -0.14 -0.29 5.89 -3.43 -1.14 -4.96 115.29 107.51 1t3o s HIS 0 Ca 0.33 0.36 -0.01 0.00 -0.80 0.00 0.00 55.06 54.93 1t3o s HIS 0 Cb 0.07 0.02 0.05 0.00 -1.43 0.00 0.00 32.58 31.28 1t3o s HIS 0 CO 0.10 -0.09 -0.02 1.41 -2.00 0.00 0.00 174.74 174.15 1t3o s MET 1 N 0.30 2.47 -0.22 -0.38 0.00 -1.26 -1.74 119.30 118.47 1t3o s MET 1 Ca -0.02 -1.24 -0.09 0.00 0.00 0.00 0.00 55.69 54.34 1t3o s MET 1 Cb -0.03 -3.13 -0.04 0.00 0.00 0.00 0.00 34.83 31.62 1t3o s MET 1 CO -0.01 -0.59 0.12 -1.17 0.00 0.00 0.00 175.02 173.37 1t3o s LEU 2 N 1.25 3.94 -0.04 4.11 1.98 0.48 -4.87 118.68 125.53 1t3o s LEU 2 Ca -0.05 0.07 -0.27 0.00 -2.89 0.00 0.00 54.13 50.99 1t3o s LEU 2 Cb -0.19 -2.04 -0.03 0.00 0.66 0.00 0.00 46.19 44.59 1t3o s LEU 2 CO -0.02 0.09 0.87 0.68 -1.89 0.00 0.00 176.35 176.08 1t3o s VAL 3 N 0.88 4.93 -0.18 1.68 -7.23 -1.26 -0.81 120.40 118.42 1t3o s VAL 3 Ca 0.06 1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 62.00 1t3o s VAL 3 Cb -0.13 -4.20 -0.02 0.00 0.56 0.00 0.00 36.38 32.59 1t3o s VAL 3 CO 0.03 0.17 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.18 1t3o s LEU 4 N 1.08 3.02 -0.25 1.32 1.02 0.33 -4.67 118.68 120.53 1t3o s LEU 4 Ca 0.45 -0.27 -0.18 0.00 0.02 0.00 0.00 54.13 54.16 1t3o s LEU 4 Cb -0.19 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 1t3o s LEU 4 CO 0.23 0.09 0.52 -0.44 0.02 0.00 0.00 176.35 176.76 1t3o s SER 5 N 0.81 6.46 -0.15 2.29 0.01 -1.26 0.80 113.70 122.66 1t3o s SER 5 Ca -0.02 0.55 -0.05 0.00 1.31 0.00 0.00 55.95 57.75 1t3o s SER 5 Cb -0.15 -2.28 0.07 0.00 0.21 0.00 0.00 66.02 63.87 1t3o s SER 5 CO 0.02 -0.26 0.26 -0.60 0.41 0.00 0.00 173.24 173.06 1t3o s ARG 6 N 2.17 0.16 -0.40 12.44 3.00 -1.11 -4.92 118.95 130.29 1t3o s ARG 6 Ca 0.22 0.66 0.03 0.00 -1.00 0.00 0.00 55.73 55.64 1t3o s ARG 6 Cb -0.16 -0.22 0.57 0.00 0.00 0.00 0.00 34.95 35.15 1t3o s ARG 6 CO 0.09 -0.36 1.82 1.63 0.00 0.00 0.00 175.30 178.48 1t3o n LYS 7 N 5.35 2.11 0.00 5.12 4.76 -1.25 -3.82 118.16 130.44 1t3o n LYS 7 Ca -0.06 -2.64 0.00 0.00 -2.87 0.00 0.00 58.31 52.74 1t3o n LYS 7 Cb 0.50 -2.04 -0.00 0.00 -1.84 0.00 0.00 35.03 31.65 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 -0.92 0.00 -1.72 -0.18 2.08 -1.26 -4.99 119.36 112.37 1t3o n ILE 8 Ca 0.53 -0.49 -0.05 0.00 0.56 0.00 0.00 62.75 63.30 1t3o n ILE 8 Cb 1.48 1.00 -0.01 0.00 -0.75 0.00 0.00 39.64 41.36 1t3o n ILE 8 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1t3o n ASN 9 N -0.60 -1.57 -4.56 4.38 0.23 -1.25 -4.93 115.26 106.97 1t3o n ASN 9 Ca 0.00 0.23 -0.29 0.00 -0.53 0.00 0.00 54.58 53.99 1t3o n ASN 9 Cb 0.01 -1.62 0.15 0.00 -2.08 0.00 0.00 39.78 36.24 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 -3.53 1.00 -0.02 -3.83 -1.05 -1.26 -5.07 118.70 104.94 1t3o s GLU 10 Ca 0.00 0.04 0.02 0.00 -0.15 0.00 0.00 54.97 54.87 1t3o s GLU 10 Cb 0.00 -1.85 -0.03 0.00 -0.44 0.00 0.00 34.13 31.81 1t3o s GLU 10 CO 0.00 -2.24 -0.04 0.00 0.95 0.00 0.00 175.26 173.93 1t3o s ALA 11 N -3.48 3.12 -0.35 -0.84 0.00 -1.26 -4.74 121.76 114.21 1t3o s ALA 11 Ca 0.67 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 1t3o s ALA 11 Cb -0.11 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1t3o s ALA 11 CO 0.52 0.61 0.15 0.42 0.00 0.00 0.00 175.76 177.46 1t3o s ILE 12 N -0.97 4.13 -0.38 0.00 -1.09 -1.19 -4.97 121.20 116.73 1t3o s ILE 12 Ca 0.16 -0.98 -0.00 0.00 -2.23 0.00 0.00 60.65 57.60 1t3o s ILE 12 Cb -0.11 -3.31 0.11 0.00 -1.58 0.00 0.00 42.46 37.57 1t3o s ILE 12 CO 0.06 -0.18 0.14 -1.58 -1.23 0.00 0.00 174.94 172.15 1t3o s GLN 13 N 1.47 1.80 -0.22 2.79 2.00 -1.26 -2.35 119.66 123.89 1t3o s GLN 13 Ca 0.00 -1.84 -0.01 0.00 -2.00 0.00 0.00 55.36 51.52 1t3o s GLN 13 Cb -0.19 -3.43 0.02 0.00 0.80 0.00 0.00 33.01 30.21 1t3o s GLN 13 CO 0.04 -1.01 -0.11 0.96 -0.50 0.00 0.00 175.29 174.67 1t3o s ILE 14 N 1.05 2.65 -1.75 -2.34 -0.00 -0.37 -4.74 121.20 115.70 1t3o s ILE 14 Ca 0.09 -0.93 0.00 0.00 -0.00 0.00 0.00 60.65 59.81 1t3o s ILE 14 Cb -0.21 -2.26 0.00 0.00 -0.00 0.00 0.00 42.46 39.98 1t3o s ILE 14 CO -0.06 0.34 0.00 0.61 -0.00 0.00 0.00 174.94 175.83 1t3o n GLY 15 N 4.66 1.60 2.72 6.27 0.00 -1.26 -2.04 105.19 117.14 1t3o n GLY 15 Ca -0.18 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 1.31 -0.15 -0.12 4.61 0.00 -1.26 -4.80 120.51 120.09 1t3o n ALA 16 Ca -0.16 0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1t3o n ALA 16 Cb 0.60 -1.66 -0.08 0.00 0.00 0.00 0.00 19.45 18.32 1t3o n ALA 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1t3o n ASP 17 N -0.99 1.92 -4.15 0.00 2.03 -0.87 -4.95 116.55 109.55 1t3o n ASP 17 Ca -0.10 0.38 -0.33 0.00 0.52 0.00 0.00 54.79 55.26 1t3o n ASP 17 Cb 0.54 -0.84 -0.16 0.00 -0.72 0.00 0.00 41.12 39.95 1t3o n ASP 17 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1t3o s ILE 18 N -2.54 2.16 -0.06 5.18 -1.09 -1.17 -5.04 121.20 118.65 1t3o s ILE 18 Ca -0.33 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.15 1t3o s ILE 18 Cb 0.10 -1.90 0.04 0.00 -1.58 0.00 0.00 42.46 39.12 1t3o s ILE 18 CO 0.48 0.53 0.11 -1.83 -1.23 0.00 0.00 174.94 173.00 1t3o s GLU 19 N 1.16 -0.02 0.00 2.79 1.03 -1.25 -1.24 118.70 121.18 1t3o s GLU 19 Ca 0.02 0.44 0.00 0.00 0.03 0.00 0.00 54.97 55.46 1t3o s GLU 19 Cb -0.14 -0.36 0.00 0.00 -0.80 0.00 0.00 34.13 32.83 1t3o s GLU 19 CO -0.09 -0.30 0.00 1.55 -1.33 0.00 0.00 175.26 175.09 1t3o n VAL 20 N 5.14 0.00 -3.71 1.83 3.14 -0.99 -5.00 118.33 118.74 1t3o n VAL 20 Ca -0.07 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.01 1t3o n VAL 20 Cb 0.50 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 -1.99 0.76 -0.51 1.45 -2.85 -1.26 -3.14 119.74 112.19 1t3o s LYS 21 Ca 0.00 -1.19 -0.18 0.00 -1.00 0.00 0.00 55.97 53.60 1t3o s LYS 21 Cb 0.00 -1.96 0.07 0.00 -2.06 0.00 0.00 37.83 33.88 1t3o s LYS 21 CO 0.00 -1.03 0.59 0.08 0.10 0.00 0.00 175.35 175.09 1t3o s VAL 22 N 1.43 4.94 -0.33 1.79 1.01 -1.26 -4.93 120.40 123.06 1t3o s VAL 22 Ca 0.11 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 1t3o s VAL 22 Cb -0.19 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 1t3o s VAL 22 CO -0.21 -0.81 0.67 -0.63 0.00 0.00 0.00 175.10 174.12 1t3o s ILE 23 N 2.42 4.88 0.20 2.22 1.01 -1.25 -2.50 121.20 128.18 1t3o s ILE 23 Ca 0.12 0.83 0.09 0.00 0.00 0.00 0.00 60.65 61.69 1t3o s ILE 23 Cb -0.21 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1t3o s ILE 23 CO 0.10 -0.24 -0.17 0.00 0.00 0.00 0.00 174.94 174.63 1t3o s ALA 24 N 2.75 2.14 -0.36 9.38 0.00 0.38 -4.96 121.76 131.08 1t3o s ALA 24 Ca 0.27 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 1t3o s ALA 24 Cb -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1t3o s ALA 24 CO 0.13 0.16 0.60 0.08 0.00 0.00 0.00 175.76 176.74 1t3o s VAL 25 N -2.57 4.92 -0.79 0.00 1.01 -1.26 -2.52 120.40 119.19 1t3o s VAL 25 Ca 0.21 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 1t3o s VAL 25 Cb -0.03 -4.06 0.38 0.00 0.00 0.00 0.00 36.38 32.67 1t3o s VAL 25 CO 0.08 -0.32 2.04 1.21 0.00 0.00 0.00 175.10 178.12 1t3o n GLU 26 N 5.98 2.72 0.00 2.72 4.07 0.10 -4.92 120.64 131.31 1t3o n GLU 26 Ca -0.02 -3.43 0.00 0.00 -0.06 0.00 0.00 57.16 53.65 1t3o n GLU 26 Cb 0.49 -2.27 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 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 -0.64 2.31 0.05 8.31 0.00 -1.26 -2.83 105.19 111.13 1t3o n GLY 27 Ca 0.57 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.61 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 4.58 0.74 -4.40 1.61 5.75 -1.26 -5.04 116.55 118.53 1t3o n ASP 28 Ca 0.00 -1.52 -0.32 0.00 -0.01 0.00 0.00 54.79 52.94 1t3o n ASP 28 Cb 0.00 -0.04 -0.14 0.00 -1.03 0.00 0.00 41.12 39.90 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 -0.46 2.45 -0.20 0.11 0.74 -1.13 -5.11 119.66 116.06 1t3o s GLN 29 Ca 0.02 -0.78 -0.07 0.00 0.05 0.00 0.00 55.36 54.57 1t3o s GLN 29 Cb 0.02 -2.28 -0.04 0.00 1.10 0.00 0.00 33.01 31.81 1t3o s GLN 29 CO 0.00 0.55 0.06 0.14 -0.55 0.00 0.00 175.29 175.50 1t3o s VAL 30 N -0.57 4.60 0.05 1.34 -7.23 -1.26 0.02 120.40 117.35 1t3o s VAL 30 Ca 0.08 -0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.18 1t3o s VAL 30 Cb -0.11 -3.09 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 1t3o s VAL 30 CO 0.01 0.42 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.55 1t3o s LYS 31 N 0.78 0.59 0.38 4.82 -2.85 -1.05 -2.76 119.74 119.66 1t3o s LYS 31 Ca 0.03 -0.85 0.07 0.00 -1.00 0.00 0.00 55.97 54.22 1t3o s LYS 31 Cb -0.14 -0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.32 1t3o s LYS 31 CO 0.02 0.05 0.52 -0.48 0.10 0.00 0.00 175.35 175.56 1t3o s LEU 32 N -1.80 3.79 -0.03 2.77 2.34 0.24 -0.47 118.68 125.51 1t3o s LEU 32 Ca -0.06 -0.32 -0.09 0.00 0.06 0.00 0.00 54.13 53.71 1t3o s LEU 32 Cb -0.08 -2.69 0.01 0.00 -0.56 0.00 0.00 46.19 42.88 1t3o s LEU 32 CO -0.00 -0.61 0.21 -0.83 -1.06 0.00 0.00 176.35 174.06 1t3o s GLY 33 N -4.27 -0.08 -0.21 -3.48 0.00 -1.04 0.12 107.32 98.37 1t3o s GLY 33 Ca 0.50 0.24 -0.07 0.00 0.00 0.00 0.00 44.72 45.39 1t3o s GLY 33 CO 0.32 0.10 0.06 -0.26 0.00 0.00 0.00 173.10 173.32 1t3o s ILE 34 N -0.87 4.54 -0.12 0.90 -4.36 0.01 -4.13 121.20 117.18 1t3o s ILE 34 Ca -0.10 -0.11 0.01 0.00 -0.26 0.00 0.00 60.65 60.19 1t3o s ILE 34 Cb -0.05 -3.07 -0.02 0.00 1.25 0.00 0.00 42.46 40.57 1t3o s ILE 34 CO 0.02 0.41 -0.14 -0.62 0.24 0.00 0.00 174.94 174.85 1t3o s ASP 35 N 0.85 3.97 0.04 4.36 2.15 -1.26 -0.39 116.67 126.39 1t3o s ASP 35 Ca 0.03 -0.32 0.04 0.00 0.43 0.00 0.00 52.55 52.73 1t3o s ASP 35 Cb -0.14 -1.51 -0.02 0.00 -0.30 0.00 0.00 42.92 40.95 1t3o s ASP 35 CO 0.02 0.19 -0.12 0.00 -0.17 0.00 0.00 175.17 175.09 1t3o s ALA 36 N 0.22 0.96 0.00 3.66 0.00 -0.71 -4.98 121.76 120.90 1t3o s ALA 36 Ca -0.09 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1t3o s ALA 36 Cb -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1t3o s ALA 36 CO 0.05 0.15 0.55 -0.35 0.00 0.00 0.00 175.76 176.17 1t3o n PRO 37 N 1.88 0.53 -2.41 0.00 -0.04 -1.26 -2.89 135.00 130.82 1t3o n PRO 37 Ca -0.19 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.09 1t3o n PRO 37 Cb 0.55 -1.23 -0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1t3o n PRO 37 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1t3o n LYS 38 N 0.77 -1.75 -0.46 0.54 3.00 -1.26 -4.84 118.16 114.16 1t3o n LYS 38 Ca 0.00 0.86 -0.23 0.00 -0.00 0.00 0.00 58.31 58.94 1t3o n LYS 38 Cb 0.27 -5.36 0.21 0.00 0.00 0.00 0.00 35.03 30.14 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 -4.05 -3.53 -3.30 5.64 1.44 -1.26 -5.01 115.22 105.13 1t3o n HIS 39 Ca -0.20 -0.69 -0.35 0.00 -2.01 0.00 0.00 57.72 54.47 1t3o n HIS 39 Cb 0.66 -0.92 -0.06 0.00 0.12 0.00 0.00 29.99 29.78 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 -2.16 4.80 -0.48 0.61 -0.00 -1.26 -5.02 121.20 117.69 1t3o s ILE 40 Ca 0.53 0.87 -0.20 0.00 -0.00 0.00 0.00 60.65 61.85 1t3o s ILE 40 Cb -0.07 -3.73 0.04 0.00 -0.00 0.00 0.00 42.46 38.70 1t3o s ILE 40 CO 0.43 0.17 0.65 1.51 -0.00 0.00 0.00 174.94 177.70 1t3o s ASP 41 N -1.83 6.27 0.20 4.36 1.47 -1.26 -5.03 116.67 120.86 1t3o s ASP 41 Ca 0.41 -0.63 -0.30 0.00 1.18 0.00 0.00 52.55 53.21 1t3o s ASP 41 Cb -0.14 -2.31 -0.08 0.00 -0.34 0.00 0.00 42.92 40.04 1t3o s ASP 41 CO 0.20 -0.87 0.96 -0.63 0.68 0.00 0.00 175.17 175.51 1t3o s ILE 42 N 2.81 4.17 0.15 2.11 -1.09 -1.26 -5.06 121.20 123.04 1t3o s ILE 42 Ca 0.19 2.04 -0.03 0.00 -2.23 0.00 0.00 60.65 60.62 1t3o s ILE 42 Cb -0.16 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.38 1t3o s ILE 42 CO 0.15 0.43 0.12 -1.00 -1.23 0.00 0.00 174.94 173.41 1t3o s HIS 43 N -0.77 0.80 0.00 3.97 3.76 -1.26 -4.80 115.29 116.99 1t3o s HIS 43 Ca 0.43 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 1t3o s HIS 43 Cb -0.26 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.04 1t3o s HIS 43 CO 0.32 -0.59 0.00 2.89 -0.85 0.00 0.00 174.74 176.51 1t3o n ARG 44 N -0.15 3.93 -1.57 1.40 1.85 -1.26 -5.02 116.66 115.84 1t3o n ARG 44 Ca -0.05 0.00 -0.47 0.00 -1.00 0.00 0.00 57.85 56.33 1t3o n ARG 44 Cb 0.64 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 32.00 1t3o n ARG 44 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1t3o n LYS 45 N 0.00 1.76 -0.86 2.89 4.76 -1.26 -4.05 118.16 121.40 1t3o n LYS 45 Ca 0.00 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 1t3o n LYS 45 Cb 0.00 -2.80 0.00 0.00 -1.84 0.00 0.00 35.03 30.39 1t3o n LYS 45 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1t3o n GLU 46 N 7.93 -1.55 -1.69 1.97 4.07 -1.26 -4.90 120.64 125.22 1t3o n GLU 46 Ca 0.31 1.40 -0.44 0.00 -0.06 0.00 0.00 57.16 58.37 1t3o n GLU 46 Cb 0.33 -1.19 -0.04 0.00 -0.06 0.00 0.00 31.44 30.49 1t3o n GLU 46 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1t3o n ILE 47 N 0.40 0.33 1.01 6.31 -5.35 -1.26 -4.88 119.36 115.93 1t3o n ILE 47 Ca 0.00 -0.06 0.11 0.00 -0.27 0.00 0.00 62.75 62.53 1t3o n ILE 47 Cb 0.00 -1.99 0.13 0.00 -1.74 0.00 0.00 39.64 36.04 1t3o n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t3o n TYR 48 N 5.40 0.00 0.00 4.28 0.18 -1.26 -4.65 117.16 121.11 1t3o n TYR 48 Ca 0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.96 1t3o n TYR 48 Cb 0.35 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 39.15 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 -1.45 0.21 -1.04 -3.48 4.77 -1.26 -4.82 117.00 109.93 1t3o n LEU 49 Ca 0.05 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1t3o n LEU 49 Cb 0.34 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1t3o n LEU 49 CO 0.37 -0.33 -0.12 1.07 -1.33 0.00 0.00 177.39 177.06 1t3o n THR 50 N -2.02 0.00 0.00 -5.08 5.66 -1.26 -4.83 114.28 106.75 1t3o n THR 50 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1t3o n THR 50 Cb 0.00 -1.49 0.00 0.00 -1.55 0.00 0.00 70.33 67.29 1t3o n THR 50 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1t3o n ILE 51 N -2.08 0.00 0.32 1.09 5.41 -1.26 -4.34 119.36 118.49 1t3o n ILE 51 Ca -0.13 0.44 0.13 0.00 1.00 0.00 0.00 62.75 64.19 1t3o n ILE 51 Cb 0.56 -1.44 0.28 0.00 -0.71 0.00 0.00 39.64 38.33 1t3o n ILE 51 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 176.55 176.61 1t3o h GLN 52 N 0.00 0.00 0.00 0.38 3.07 -1.92 -2.63 115.11 114.01 1t3o h GLN 52 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1t3o h GLN 52 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1t3o h GLN 52 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 178.83 179.97 1t3o h GLU 53 N 0.00 0.00 0.00 0.06 4.11 -1.94 0.29 114.58 117.10 1t3o h GLU 53 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.20 1t3o h GLU 53 Cb 0.88 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1t3o h GLU 53 CO 0.00 0.00 -1.36 0.93 0.07 0.00 0.00 179.01 178.65 1t3o h GLU 54 N 0.00 0.00 0.00 1.06 4.39 -1.69 -3.45 114.58 114.89 1t3o h GLU 54 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t3o h GLU 54 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1t3o h GLU 54 CO 0.00 0.57 0.00 -1.71 -1.16 0.00 0.00 179.01 176.71 1t3o n ASN 55 N -3.10 0.00 0.00 1.42 2.85 -0.78 -4.51 115.26 111.14 1t3o n ASN 55 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1t3o n ASN 55 Cb 0.95 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.97 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 -3.30 0.08 1.20 5.15 0.95 -3.96 115.26 115.38 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 -2.33 0.00 0.00 -0.53 0.00 0.00 39.78 36.92 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 -0.82 0.00 -2.68 1.20 1.85 -1.26 -5.04 116.66 109.91 1t3o n ARG 57 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.80 1t3o n ARG 57 Cb 0.23 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.70 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 -3.14 -3.33 -2.68 2.89 0.00 -1.25 -5.07 120.51 107.93 1t3o n ALA 58 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 53.44 52.87 1t3o n ALA 58 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 19.45 16.45 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 0.40 4.00 -0.37 0.00 0.00 -1.26 -5.02 121.76 119.51 1t3o s ALA 59 Ca 0.26 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1t3o s ALA 59 Cb 0.18 -1.57 0.12 0.00 0.00 0.00 0.00 23.12 21.85 1t3o s ALA 59 CO -0.11 0.10 0.16 0.00 0.00 0.00 0.00 175.76 175.92 1t3o s ALA 60 N -2.12 1.93 -0.00 0.00 0.00 -1.26 -4.97 121.76 115.33 1t3o s ALA 60 Ca 0.39 -2.18 0.06 0.00 0.00 0.00 0.00 51.96 50.23 1t3o s ALA 60 Cb -0.09 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 1t3o s ALA 60 CO 0.29 -1.87 -0.18 -0.51 0.00 0.00 0.00 175.76 173.50 1t3o s LEU 61 N 0.95 2.58 -1.56 0.00 1.02 -1.26 -4.43 118.68 115.99 1t3o s LEU 61 Ca 0.14 -0.34 -0.14 0.00 0.02 0.00 0.00 54.13 53.80 1t3o s LEU 61 Cb -0.21 -1.51 0.10 0.00 0.02 0.00 0.00 46.19 44.59 1t3o s LEU 61 CO -0.11 0.30 0.95 -1.54 0.02 0.00 0.00 176.35 175.97 1t3o n SER 62 N 1.96 -4.55 0.10 2.29 3.41 -1.26 -4.45 113.62 111.12 1t3o n SER 62 Ca -0.16 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 1t3o n SER 62 Cb 0.52 -3.71 0.00 0.00 -0.26 0.00 0.00 64.21 60.76 1t3o n SER 62 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1t3o n SER 63 N -2.81 -1.85 -2.73 4.04 2.88 -1.26 -4.74 113.62 107.15 1t3o n SER 63 Ca 0.04 0.56 -0.01 0.00 -1.33 0.00 0.00 58.87 58.14 1t3o n SER 63 Cb 0.52 1.95 -0.01 0.00 -0.75 0.00 0.00 64.21 65.92 1t3o n SER 63 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1t3o n ASP 64 N -3.02 -6.84 0.41 -3.46 2.03 -1.26 -4.96 116.55 99.45 1t3o n ASP 64 Ca 0.00 1.39 -0.16 0.00 0.52 0.00 0.00 54.79 56.53 1t3o n ASP 64 Cb 0.00 -5.17 -0.08 0.00 -0.72 0.00 0.00 41.12 35.16 1t3o n ASP 64 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1t3o h VAL 65 N 3.27 0.00 0.00 5.18 2.07 -1.96 -3.43 116.25 121.38 1t3o h VAL 65 Ca -0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1t3o h VAL 65 Cb 0.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1t3o h VAL 65 CO 0.08 0.00 0.00 2.30 0.02 0.00 0.00 177.57 179.97 1t3o n ILE 66 N -5.05 0.00 0.00 4.57 -6.64 -1.26 -5.08 119.36 105.90 1t3o n ILE 66 Ca -0.13 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.85 1t3o n ILE 66 Cb 0.42 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.62 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 -0.26 0.00 -4.70 7.28 2.88 -1.26 -4.45 113.62 113.10 1t3o n SER 67 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1t3o n SER 67 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 3.52 -0.21 -1.46 0.00 -1.26 -4.63 121.76 116.72 1t3o s ALA 68 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1t3o s ALA 68 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1t3o s ALA 68 CO 0.00 -0.10 0.04 1.28 0.00 0.00 0.00 175.76 176.98 1t3o n LEU 69 N 3.96 -5.87 0.00 0.00 4.77 -1.26 -4.79 117.00 113.82 1t3o n LEU 69 Ca -0.08 0.86 0.09 0.00 -0.03 0.00 0.00 56.01 56.85 1t3o n LEU 69 Cb 0.51 -2.52 0.41 0.00 -2.33 0.00 0.00 43.42 39.50 1t3o n LEU 69 CO 0.42 -2.01 0.81 -1.20 -1.33 0.00 0.00 177.39 174.07 1t3o n SER 70 N 0.36 0.00 -0.02 -1.43 7.64 -1.26 -1.56 113.62 117.34 1t3o n SER 70 Ca 0.01 0.50 -0.02 0.00 1.01 0.00 0.00 58.87 60.37 1t3o n SER 70 Cb 0.03 -0.50 -0.13 0.00 -1.01 0.00 0.00 64.21 62.61 1t3o n SER 70 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1t3o n SER 71 N -1.50 0.43 -2.54 6.43 3.41 -1.26 -4.99 113.62 113.60 1t3o n SER 71 Ca 0.05 0.19 -0.04 0.00 -0.26 0.00 0.00 58.87 58.81 1t3o n SER 71 Cb 0.23 0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 1t3o n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t3o n GLN 72 N -2.74 -4.71 -2.02 4.33 1.13 -0.60 -4.77 117.38 107.99 1t3o n GLN 72 Ca -0.17 3.50 -0.42 0.00 -1.94 0.00 0.00 57.00 57.98 1t3o n GLN 72 Cb 0.91 -4.86 -0.03 0.00 0.11 0.00 0.00 30.24 26.37 1t3o n GLN 72 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1t3o s LYS 73 N -0.63 3.25 0.00 -1.09 0.00 -1.26 -5.17 119.74 114.84 1t3o s LYS 73 Ca -0.20 1.30 0.00 0.00 0.00 0.00 0.00 55.97 57.07 1t3o s LYS 73 Cb 0.01 -4.21 0.00 0.00 0.00 0.00 0.00 37.83 33.63 1t3o s LYS 73 CO 0.55 -1.96 0.47 1.63 0.00 0.00 0.00 175.35 176.04