#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 0.00 -0.58 0.41 2.88 -1.26 -4.94 113.62 110.12 1t3o n SER -8 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1t3o n SER -8 Cb 0.00 0.18 0.01 0.00 -0.75 0.00 0.00 64.21 63.65 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 -2.40 2.21 -0.57 -3.46 7.64 -1.26 -3.84 113.62 111.94 1t3o n SER -7 Ca 0.00 -1.60 0.01 0.00 1.01 0.00 0.00 58.87 58.28 1t3o n SER -7 Cb 0.00 0.39 0.04 0.00 -1.01 0.00 0.00 64.21 63.62 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 1.40 1.33 3.42 0.23 0.00 -1.26 -4.77 105.19 105.55 1t3o n GLY -6 Ca 0.10 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.27 2.92 -0.24 1.61 5.65 -1.25 -5.10 115.29 117.61 1t3o s HIS -5 Ca 0.05 -0.51 -0.12 0.00 0.25 0.00 0.00 55.06 54.74 1t3o s HIS -5 Cb 0.04 -1.92 -0.05 0.00 -1.18 0.00 0.00 32.58 29.47 1t3o s HIS -5 CO 0.02 -0.16 0.21 -1.50 -0.65 0.00 0.00 174.74 172.66 1t3o s ILE -4 N 0.45 5.32 0.01 0.89 1.10 -1.26 -5.06 121.20 122.64 1t3o s ILE -4 Ca -0.07 0.28 -0.30 0.00 -0.51 0.00 0.00 60.65 60.05 1t3o s ILE -4 Cb -0.15 -3.55 -0.04 0.00 0.15 0.00 0.00 42.46 38.87 1t3o s ILE -4 CO 0.04 0.30 1.05 -1.61 -2.11 0.00 0.00 174.94 172.61 1t3o s GLU -3 N 1.30 4.51 -0.53 3.50 0.41 -1.26 -4.95 118.70 121.68 1t3o s GLU -3 Ca 0.09 1.52 -0.27 0.00 -0.41 0.00 0.00 54.97 55.91 1t3o s GLU -3 Cb -0.14 -3.43 -0.04 0.00 -1.78 0.00 0.00 34.13 28.74 1t3o s GLU -3 CO 0.07 -0.13 2.03 0.20 -0.49 0.00 0.00 175.26 176.94 1t3o s GLY -2 N 1.04 0.08 0.28 -1.39 0.00 -1.26 -4.93 107.32 101.13 1t3o s GLY -2 Ca 0.54 -0.30 0.07 0.00 0.00 0.00 0.00 44.72 45.03 1t3o s GLY -2 CO 0.28 3.64 -0.06 1.09 0.00 0.00 0.00 173.10 178.04 1t3o s ARG -1 N 7.24 1.55 -0.19 2.90 1.70 -1.26 -3.88 118.95 127.01 1t3o s ARG -1 Ca 0.79 -1.79 0.00 0.00 -0.47 0.00 0.00 55.73 54.27 1t3o s ARG -1 Cb -0.16 -1.16 0.04 0.00 -0.57 0.00 0.00 34.95 33.10 1t3o s ARG -1 CO 0.24 0.04 -0.09 -3.38 -1.08 0.00 0.00 175.30 171.04 1t3o s HIS 0 N -3.00 2.22 -0.49 5.89 -3.43 -0.22 -4.85 115.29 111.41 1t3o s HIS 0 Ca 0.29 -1.47 -0.14 0.00 -0.80 0.00 0.00 55.06 52.95 1t3o s HIS 0 Cb 0.04 -1.55 0.10 0.00 -1.43 0.00 0.00 32.58 29.74 1t3o s HIS 0 CO 0.12 -0.71 0.41 1.41 -2.00 0.00 0.00 174.74 173.96 1t3o s MET 1 N 1.46 2.86 -0.30 -0.38 0.00 -1.26 -1.89 119.30 119.80 1t3o s MET 1 Ca -0.01 -1.55 -0.11 0.00 0.00 0.00 0.00 55.69 54.02 1t3o s MET 1 Cb -0.16 -4.11 -0.03 0.00 0.00 0.00 0.00 34.83 30.52 1t3o s MET 1 CO -0.08 -1.15 0.18 -1.17 0.00 0.00 0.00 175.02 172.81 1t3o s LEU 2 N 1.56 4.09 -0.22 4.11 1.98 0.81 -4.87 118.68 126.14 1t3o s LEU 2 Ca 0.04 -0.22 -0.24 0.00 -2.89 0.00 0.00 54.13 50.81 1t3o s LEU 2 Cb -0.26 -2.08 -0.01 0.00 0.66 0.00 0.00 46.19 44.49 1t3o s LEU 2 CO 0.04 -0.12 0.80 0.68 -1.89 0.00 0.00 176.35 175.86 1t3o s VAL 3 N 1.71 4.88 -0.10 1.68 -7.23 -1.26 -0.54 120.40 119.54 1t3o s VAL 3 Ca 0.06 1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 61.75 1t3o s VAL 3 Cb -0.16 -4.09 -0.03 0.00 0.56 0.00 0.00 36.38 32.65 1t3o s VAL 3 CO 0.09 -0.02 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.58 1t3o s LEU 4 N 2.52 3.15 -0.49 1.32 1.98 0.29 -4.57 118.68 122.87 1t3o s LEU 4 Ca 0.35 -0.08 -0.24 0.00 -2.89 0.00 0.00 54.13 51.26 1t3o s LEU 4 Cb -0.16 -1.71 0.03 0.00 0.66 0.00 0.00 46.19 45.02 1t3o s LEU 4 CO 0.09 0.28 0.87 -0.94 -1.89 0.00 0.00 176.35 174.77 1t3o s SER 5 N -0.34 6.40 -0.09 3.68 1.04 -1.26 -0.54 113.70 122.59 1t3o s SER 5 Ca 0.05 -0.18 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 1t3o s SER 5 Cb -0.12 -2.42 0.05 0.00 0.10 0.00 0.00 66.02 63.62 1t3o s SER 5 CO 0.02 -1.07 0.12 -0.60 0.98 0.00 0.00 173.24 172.69 1t3o s ARG 6 N 3.63 0.01 -0.76 4.02 6.06 -0.97 -4.94 118.95 125.99 1t3o s ARG 6 Ca 0.31 0.36 -0.01 0.00 -2.50 0.00 0.00 55.73 53.90 1t3o s ARG 6 Cb -0.12 -0.68 0.38 0.00 0.06 0.00 0.00 34.95 34.59 1t3o s ARG 6 CO 0.22 -0.40 1.92 1.63 -2.50 0.00 0.00 175.30 176.17 1t3o n LYS 7 N 5.31 2.83 0.00 5.12 4.01 -1.19 -3.90 118.16 130.33 1t3o n LYS 7 Ca -0.04 -3.59 0.00 0.00 -0.51 0.00 0.00 58.31 54.17 1t3o n LYS 7 Cb 0.50 -2.27 0.00 0.00 -0.51 0.00 0.00 35.03 32.75 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 -0.61 0.00 -1.64 -0.18 2.08 -1.26 -5.00 119.36 112.75 1t3o n ILE 8 Ca 0.54 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.69 1t3o n ILE 8 Cb 0.37 -0.24 -0.05 0.00 -0.75 0.00 0.00 39.64 38.97 1t3o n ILE 8 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1t3o n ASN 9 N -1.25 -4.84 -4.75 4.38 2.85 -1.25 -4.99 115.26 105.40 1t3o n ASN 9 Ca 0.00 0.30 -0.29 0.00 -0.11 0.00 0.00 54.58 54.48 1t3o n ASN 9 Cb 0.19 -3.77 0.13 0.00 1.24 0.00 0.00 39.78 37.58 1t3o n ASN 9 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1t3o s GLU 10 N -3.64 1.21 -0.09 1.20 -1.05 -1.26 -5.05 118.70 110.02 1t3o s GLU 10 Ca 0.00 0.52 -0.01 0.00 -0.15 0.00 0.00 54.97 55.33 1t3o s GLU 10 Cb 0.00 -1.83 -0.03 0.00 -0.44 0.00 0.00 34.13 31.83 1t3o s GLU 10 CO 0.00 -2.20 -0.03 0.00 0.95 0.00 0.00 175.26 173.98 1t3o s ALA 11 N -3.11 3.13 -0.37 -0.84 0.00 -1.26 -4.70 121.76 114.60 1t3o s ALA 11 Ca 0.63 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 1t3o s ALA 11 Cb -0.16 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.59 1t3o s ALA 11 CO 0.55 0.51 0.18 0.42 0.00 0.00 0.00 175.76 177.42 1t3o s ILE 12 N -0.60 4.27 -0.37 0.00 -1.09 -1.17 -4.95 121.20 117.28 1t3o s ILE 12 Ca 0.09 -1.04 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 1t3o s ILE 12 Cb -0.12 -3.43 0.10 0.00 -1.58 0.00 0.00 42.46 37.43 1t3o s ILE 12 CO 0.02 -0.27 0.12 -1.58 -1.23 0.00 0.00 174.94 172.00 1t3o s GLN 13 N 1.48 1.77 -0.22 2.79 2.00 -1.26 -1.41 119.66 124.82 1t3o s GLN 13 Ca 0.01 -1.83 -0.01 0.00 -2.00 0.00 0.00 55.36 51.53 1t3o s GLN 13 Cb -0.20 -3.39 0.02 0.00 0.80 0.00 0.00 33.01 30.24 1t3o s GLN 13 CO 0.05 -0.99 -0.10 0.96 -0.50 0.00 0.00 175.29 174.70 1t3o s ILE 14 N 1.03 2.69 0.00 -2.34 -0.00 -0.01 -4.88 121.20 117.69 1t3o s ILE 14 Ca 0.09 -0.94 0.00 0.00 -0.00 0.00 0.00 60.65 59.80 1t3o s ILE 14 Cb -0.21 -2.29 0.00 0.00 -0.00 0.00 0.00 42.46 39.96 1t3o s ILE 14 CO -0.06 0.33 0.00 0.61 -0.00 0.00 0.00 174.94 175.82 1t3o n GLY 15 N 4.66 1.80 0.00 6.27 0.00 -1.26 -3.06 105.19 113.60 1t3o n GLY 15 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.01 0.00 -0.07 4.61 0.00 -1.26 -5.00 120.51 118.80 1t3o n ALA 16 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1t3o n ALA 16 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.34 -3.28 0.00 3.58 -1.91 -3.41 116.42 111.73 1t3o h ASP 17 Ca 0.00 -0.25 -0.56 0.00 0.42 0.00 0.00 57.03 56.64 1t3o h ASP 17 Cb 0.00 -0.09 -0.37 0.00 1.72 0.00 0.00 39.33 40.59 1t3o h ASP 17 CO 0.00 0.50 -0.80 -0.63 -2.88 0.00 0.00 179.24 175.43 1t3o s ILE 18 N -5.23 1.19 -0.15 2.25 -1.09 -1.21 -5.06 121.20 111.91 1t3o s ILE 18 Ca -0.14 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 57.67 1t3o s ILE 18 Cb 0.07 -1.30 0.04 0.00 -1.58 0.00 0.00 42.46 39.70 1t3o s ILE 18 CO 0.72 0.22 -0.00 -0.70 -1.23 0.00 0.00 174.94 173.95 1t3o s GLU 19 N 1.61 0.89 0.00 2.79 2.12 -1.23 -0.83 118.70 124.04 1t3o s GLU 19 Ca 0.02 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1t3o s GLU 19 Cb -0.14 -1.72 0.00 0.00 0.26 0.00 0.00 34.13 32.53 1t3o s GLU 19 CO -0.08 -0.47 0.00 1.55 -0.54 0.00 0.00 175.26 175.72 1t3o n VAL 20 N 5.03 0.00 -3.72 3.70 3.14 -0.50 -4.97 118.33 121.01 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 -1.72 0.68 -0.46 1.45 0.00 -1.26 -3.06 119.74 115.38 1t3o s LYS 21 Ca 0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 55.97 54.79 1t3o s LYS 21 Cb 0.00 -1.95 0.06 0.00 0.00 0.00 0.00 37.83 35.94 1t3o s LYS 21 CO 0.00 -0.98 0.38 0.08 0.00 0.00 0.00 175.35 174.84 1t3o s VAL 22 N 1.65 5.22 -0.13 1.79 1.01 -1.23 -4.89 120.40 123.81 1t3o s VAL 22 Ca 0.09 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1t3o s VAL 22 Cb -0.17 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1t3o s VAL 22 CO -0.25 -0.52 0.24 -0.63 0.00 0.00 0.00 175.10 173.93 1t3o s ILE 23 N 1.70 5.33 0.22 2.22 -1.09 -1.26 -0.34 121.20 127.99 1t3o s ILE 23 Ca 0.05 0.44 -0.00 0.00 -2.23 0.00 0.00 60.65 58.91 1t3o s ILE 23 Cb -0.23 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1t3o s ILE 23 CO 0.08 0.49 0.14 0.00 -1.23 0.00 0.00 174.94 174.41 1t3o s ALA 24 N -0.19 1.32 -0.29 9.38 0.00 -0.73 -5.01 121.76 126.24 1t3o s ALA 24 Ca 0.16 -1.75 -0.20 0.00 0.00 0.00 0.00 51.96 50.17 1t3o s ALA 24 Cb -0.13 1.34 -0.01 0.00 0.00 0.00 0.00 23.12 24.32 1t3o s ALA 24 CO 0.04 -0.57 0.59 0.14 0.00 0.00 0.00 175.76 175.96 1t3o s VAL 25 N -4.04 4.98 -0.20 0.00 -7.23 -1.26 -3.31 120.40 109.33 1t3o s VAL 25 Ca 0.39 0.85 0.02 0.00 -1.81 0.00 0.00 61.98 61.42 1t3o s VAL 25 Cb 0.07 -3.95 0.30 0.00 0.56 0.00 0.00 36.38 33.35 1t3o s VAL 25 CO 0.13 -0.08 1.42 1.21 -0.31 0.00 0.00 175.10 177.48 1t3o n GLU 26 N 5.77 1.56 0.00 4.82 2.13 0.37 -4.87 120.64 130.43 1t3o n GLU 26 Ca -0.02 -1.34 0.00 0.00 0.66 0.00 0.00 57.16 56.46 1t3o n GLU 26 Cb 0.49 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.67 1t3o n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1t3o n GLY 27 N -0.22 2.04 0.00 8.31 0.00 -1.26 -3.96 105.19 110.10 1t3o n GLY 27 Ca 0.27 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 3.84 0.23 -4.46 1.61 9.92 -1.26 -5.08 116.55 121.34 1t3o n ASP 28 Ca 0.00 -1.09 -0.30 0.00 -0.53 0.00 0.00 54.79 52.87 1t3o n ASP 28 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1t3o n ASP 28 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1t3o s GLN 29 N -0.09 1.91 -0.25 -1.24 0.74 -1.25 -5.11 119.66 114.37 1t3o s GLN 29 Ca 0.00 -1.09 -0.09 0.00 0.05 0.00 0.00 55.36 54.23 1t3o s GLN 29 Cb 0.00 -2.14 -0.04 0.00 1.10 0.00 0.00 33.01 31.94 1t3o s GLN 29 CO 0.00 0.51 0.12 0.08 -0.55 0.00 0.00 175.29 175.45 1t3o s VAL 30 N -1.02 4.79 0.04 1.34 1.01 -1.26 -0.47 120.40 124.82 1t3o s VAL 30 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1t3o s VAL 30 Cb -0.10 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1t3o s VAL 30 CO 0.07 0.32 -0.07 -1.59 0.00 0.00 0.00 175.10 173.83 1t3o s LYS 31 N 1.47 0.51 0.32 2.72 -2.85 -1.21 -2.30 119.74 118.40 1t3o s LYS 31 Ca 0.06 -0.73 0.07 0.00 -1.00 0.00 0.00 55.97 54.37 1t3o s LYS 31 Cb -0.15 -0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 35.34 1t3o s LYS 31 CO 0.06 0.04 0.37 -0.48 0.10 0.00 0.00 175.35 175.45 1t3o s LEU 32 N -1.53 3.84 -0.04 2.77 0.05 0.30 -1.77 118.68 122.31 1t3o s LEU 32 Ca -0.10 -0.29 0.00 0.00 0.05 0.00 0.00 54.13 53.78 1t3o s LEU 32 Cb -0.10 -2.52 0.03 0.00 -2.05 0.00 0.00 46.19 41.55 1t3o s LEU 32 CO 0.00 -0.35 -0.01 -0.83 -0.55 0.00 0.00 176.35 174.62 1t3o s GLY 33 N -4.07 0.33 -0.26 -3.48 0.00 0.54 0.11 107.32 100.49 1t3o s GLY 33 Ca 0.42 0.06 -0.12 0.00 0.00 0.00 0.00 44.72 45.08 1t3o s GLY 33 CO 0.29 0.71 0.21 -0.26 0.00 0.00 0.00 173.10 174.05 1t3o s ILE 34 N 1.24 5.31 -0.11 0.90 -4.36 0.30 -3.58 121.20 120.91 1t3o s ILE 34 Ca -0.06 0.25 0.02 0.00 -0.26 0.00 0.00 60.65 60.60 1t3o s ILE 34 Cb -0.13 -3.55 -0.01 0.00 1.25 0.00 0.00 42.46 40.02 1t3o s ILE 34 CO -0.02 0.28 -0.19 -0.62 0.24 0.00 0.00 174.94 174.63 1t3o s ASP 35 N 1.40 3.54 0.04 4.36 2.15 -1.26 -0.14 116.67 126.76 1t3o s ASP 35 Ca 0.09 -0.44 0.01 0.00 0.43 0.00 0.00 52.55 52.64 1t3o s ASP 35 Cb -0.15 -1.48 -0.03 0.00 -0.30 0.00 0.00 42.92 40.97 1t3o s ASP 35 CO 0.08 0.17 -0.06 0.00 -0.17 0.00 0.00 175.17 175.19 1t3o s ALA 36 N 0.31 0.47 0.00 3.66 0.00 -0.79 -4.96 121.76 120.45 1t3o s ALA 36 Ca -0.14 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1t3o s ALA 36 Cb -0.17 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1t3o s ALA 36 CO 0.07 -0.12 0.70 -0.35 0.00 0.00 0.00 175.76 176.06 1t3o n PRO 37 N 1.21 0.63 -1.84 0.00 -0.04 -1.26 -1.05 135.00 132.65 1t3o n PRO 37 Ca -0.21 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.09 1t3o n PRO 37 Cb 0.56 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.79 -1.18 -0.27 0.54 4.76 -1.25 -4.67 118.16 116.87 1t3o n LYS 38 Ca 0.00 0.94 -0.20 0.00 -2.87 0.00 0.00 58.31 56.18 1t3o n LYS 38 Cb 0.32 -5.21 0.18 0.00 -1.84 0.00 0.00 35.03 28.48 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 -3.19 -3.27 -2.38 2.13 1.44 -1.26 -5.01 115.22 103.67 1t3o n HIS 39 Ca -0.17 -0.55 -0.32 0.00 -2.01 0.00 0.00 57.72 54.66 1t3o n HIS 39 Cb 0.58 -0.79 -0.03 0.00 0.12 0.00 0.00 29.99 29.87 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 -1.85 4.30 -0.44 0.61 -0.00 -1.26 -5.02 121.20 117.55 1t3o s ILE 40 Ca 0.44 1.17 -0.13 0.00 -0.00 0.00 0.00 60.65 62.12 1t3o s ILE 40 Cb -0.07 -3.61 0.06 0.00 -0.00 0.00 0.00 42.46 38.84 1t3o s ILE 40 CO 0.36 -0.57 0.32 1.51 -0.00 0.00 0.00 174.94 176.55 1t3o s ASP 41 N -2.82 5.92 0.22 4.36 -4.77 -1.26 -5.06 116.67 113.27 1t3o s ASP 41 Ca 0.61 -1.31 -0.28 0.00 -3.30 0.00 0.00 52.55 48.27 1t3o s ASP 41 Cb -0.12 -2.10 -0.09 0.00 -1.09 0.00 0.00 42.92 39.53 1t3o s ASP 41 CO 0.29 -0.56 0.89 -0.63 0.70 0.00 0.00 175.17 175.86 1t3o s ILE 42 N 1.56 4.17 0.20 2.11 -1.09 -1.26 -5.07 121.20 121.82 1t3o s ILE 42 Ca 0.03 1.95 0.01 0.00 -2.23 0.00 0.00 60.65 60.41 1t3o s ILE 42 Cb -0.23 -4.25 -0.05 0.00 -1.58 0.00 0.00 42.46 36.36 1t3o s ILE 42 CO 0.05 0.48 0.06 -1.00 -1.23 0.00 0.00 174.94 173.31 1t3o s HIS 43 N -1.20 1.24 -0.00 3.97 3.76 -1.26 -4.70 115.29 117.10 1t3o s HIS 43 Ca 0.40 -1.17 -0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1t3o s HIS 43 Cb -0.25 -0.69 -0.00 0.00 1.11 0.00 0.00 32.58 32.75 1t3o s HIS 43 CO 0.30 -0.38 -0.00 0.00 -0.85 0.00 0.00 174.74 173.81 1t3o h ARG 44 N 2.62 0.00 0.00 1.40 3.08 -1.97 -3.48 114.38 116.03 1t3o h ARG 44 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1t3o h ARG 44 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1t3o h ARG 44 CO 0.60 0.00 0.00 0.36 -1.07 0.00 0.00 179.97 179.86 1t3o n LYS 45 N -2.07 0.00 0.00 0.04 0.00 -1.26 -4.94 118.16 109.93 1t3o n LYS 45 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1t3o n LYS 45 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1t3o n LYS 45 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1t3o n GLU 46 N 0.00 0.57 -2.32 -1.58 0.00 -1.26 -5.07 120.64 110.97 1t3o n GLU 46 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 57.16 56.52 1t3o n GLU 46 Cb 0.34 -0.63 -0.00 0.00 0.00 0.00 0.00 31.44 31.15 1t3o n GLU 46 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1t3o n ILE 47 N -0.10 -5.41 1.16 3.84 -5.35 -1.26 -4.91 119.36 107.32 1t3o n ILE 47 Ca 0.00 1.22 0.13 0.00 -0.27 0.00 0.00 62.75 63.83 1t3o n ILE 47 Cb 0.39 -3.50 0.33 0.00 -1.74 0.00 0.00 39.64 35.11 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 2.01 0.00 0.00 4.28 0.18 -1.26 -4.58 117.16 117.79 1t3o n TYR 48 Ca -0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.74 1t3o n TYR 48 Cb 0.06 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 38.86 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 -0.94 0.00 0.00 -3.48 4.77 -1.26 -4.81 117.00 111.27 1t3o n LEU 49 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1t3o n LEU 49 Cb 0.34 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1t3o n LEU 49 CO 0.29 -0.14 0.00 0.41 -1.33 0.00 0.00 177.39 176.62 1t3o n THR 50 N -1.76 0.00 0.30 -5.08 -1.04 -1.26 -4.71 114.28 100.72 1t3o n THR 50 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1t3o n THR 50 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 0.00 -0.01 12.58 2.04 -1.98 0.37 117.51 130.51 1t3o h ILE 51 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1t3o h ILE 51 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1t3o h ILE 51 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 178.15 178.12 1t3o n GLN 52 N -4.32 1.11 0.02 2.37 10.64 -1.26 -2.29 117.38 123.64 1t3o n GLN 52 Ca -0.10 -0.36 -0.20 0.00 -1.83 0.00 0.00 57.00 54.51 1t3o n GLN 52 Cb 0.30 -1.49 -0.14 0.00 -0.86 0.00 0.00 30.24 28.05 1t3o n GLN 52 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1t3o h GLU 53 N 0.89 0.25 -0.67 2.61 4.22 -1.86 0.05 114.58 120.07 1t3o h GLU 53 Ca 0.00 -0.43 0.06 0.00 0.08 0.00 0.00 59.36 59.07 1t3o h GLU 53 Cb 0.26 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1t3o h GLU 53 CO 0.00 1.21 0.38 0.93 -2.18 0.00 0.00 179.01 179.34 1t3o h GLU 54 N -0.39 0.68 0.00 1.92 4.39 -0.24 -3.41 114.58 117.53 1t3o h GLU 54 Ca -0.22 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1t3o h GLU 54 Cb 1.66 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1t3o h GLU 54 CO 0.09 0.45 0.00 -1.71 -1.16 0.00 0.00 179.01 176.68 1t3o n ASN 55 N -4.78 0.00 0.00 1.42 2.85 -0.97 -3.99 115.26 109.80 1t3o n ASN 55 Ca 0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1t3o n ASN 55 Cb 0.16 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.18 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 -0.00 1.20 2.85 0.00 -3.66 115.26 115.65 1t3o n ASN 56 Ca 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1t3o n ASN 56 Cb 0.00 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.02 1t3o n ASN 56 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1t3o n ARG 57 N 0.00 0.03 -3.09 1.20 1.85 -1.26 -4.86 116.66 110.52 1t3o n ARG 57 Ca 0.00 0.01 0.03 0.00 -1.00 0.00 0.00 57.85 56.89 1t3o n ARG 57 Cb 0.00 -0.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.91 1t3o n ARG 57 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3o s ALA 58 N -2.90 -3.16 0.64 2.89 0.00 -1.24 -5.11 121.76 112.89 1t3o s ALA 58 Ca -0.01 0.93 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 1t3o s ALA 58 Cb 0.00 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 1t3o s ALA 58 CO 0.02 -2.13 1.03 0.00 0.00 0.00 0.00 175.76 174.68 1t3o s ALA 59 N 2.41 3.06 0.39 0.00 0.00 -1.26 -4.90 121.76 121.46 1t3o s ALA 59 Ca 0.17 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.94 1t3o s ALA 59 Cb -0.04 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 1t3o s ALA 59 CO -0.18 -0.84 -0.00 0.00 0.00 0.00 0.00 175.76 174.74 1t3o s ALA 60 N -3.20 3.08 0.34 0.00 0.00 -1.26 -4.37 121.76 116.34 1t3o s ALA 60 Ca 0.56 -2.26 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1t3o s ALA 60 Cb -0.11 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1t3o s ALA 60 CO 0.52 -0.11 0.00 -0.11 0.00 0.00 0.00 175.76 176.06 1t3o n LEU 61 N -0.92 -4.18 -1.85 0.00 7.94 -1.26 -4.71 117.00 112.01 1t3o n LEU 61 Ca -0.05 2.49 -0.20 0.00 -1.11 0.00 0.00 56.01 57.14 1t3o n LEU 61 Cb 0.66 -2.19 -0.06 0.00 0.53 0.00 0.00 43.42 42.36 1t3o n LEU 61 CO 0.48 -0.18 -0.21 -1.20 -1.11 0.00 0.00 177.39 175.16 1t3o n SER 62 N -0.15 -5.46 0.04 1.96 7.64 -1.26 -4.46 113.62 111.92 1t3o n SER 62 Ca 0.00 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1t3o n SER 62 Cb 0.00 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 58.46 1t3o n SER 62 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1t3o n SER 63 N -1.53 -0.66 -4.06 6.43 7.64 -1.26 -4.54 113.62 115.64 1t3o n SER 63 Ca -0.21 0.15 -0.34 0.00 1.01 0.00 0.00 58.87 59.48 1t3o n SER 63 Cb 0.67 1.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.86 1t3o n SER 63 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1t3o n ASP 64 N -2.58 -3.93 0.00 6.43 8.00 -1.26 -4.89 116.55 118.31 1t3o n ASP 64 Ca 0.00 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1t3o n ASP 64 Cb 0.00 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 1t3o n ASP 64 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1t3o n VAL 65 N -4.47 0.00 0.00 2.53 0.31 -1.26 -4.83 118.33 110.61 1t3o n VAL 65 Ca 0.06 1.21 0.00 0.00 -0.01 0.00 0.00 64.34 65.61 1t3o n VAL 65 Cb 0.50 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 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 -1.29 0.00 0.00 2.52 5.41 -1.26 -5.06 119.36 119.68 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 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 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 -2.38 0.00 -4.65 4.38 2.88 -1.26 -4.75 113.62 107.83 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 0.10 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.76 3.63 -0.66 -1.46 0.00 -1.26 -4.02 121.76 117.22 1t3o s ALA 68 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 1t3o s ALA 68 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1t3o s ALA 68 CO 0.00 -1.20 0.68 1.28 0.00 0.00 0.00 175.76 176.51 1t3o n LEU 69 N 6.57 -7.08 -0.99 0.00 4.77 -1.26 -4.82 117.00 114.19 1t3o n LEU 69 Ca 0.13 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1t3o n LEU 69 Cb 0.46 -3.34 0.00 0.00 -2.33 0.00 0.00 43.42 38.21 1t3o n LEU 69 CO 0.55 -1.42 0.40 -1.20 -1.33 0.00 0.00 177.39 174.39 1t3o n SER 70 N -1.42 2.41 -0.95 -1.43 7.64 -1.26 -1.83 113.62 116.78 1t3o n SER 70 Ca 0.03 -1.62 -0.03 0.00 1.01 0.00 0.00 58.87 58.26 1t3o n SER 70 Cb 0.49 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 1t3o n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1t3o n SER 71 N 0.59 -0.31 -4.77 6.43 7.64 -1.26 -5.02 113.62 116.93 1t3o n SER 71 Ca 0.00 -1.79 -0.40 0.00 1.01 0.00 0.00 58.87 57.70 1t3o n SER 71 Cb 0.40 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1t3o n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3o s GLN 72 N 0.00 3.89 -0.14 1.43 1.03 -0.76 -5.01 119.66 120.10 1t3o s GLN 72 Ca 0.07 2.23 -0.14 0.00 0.04 0.00 0.00 55.36 57.56 1t3o s GLN 72 Cb 0.08 -2.73 -0.05 0.00 0.03 0.00 0.00 33.01 30.34 1t3o s GLN 72 CO -0.03 -0.58 0.31 -1.59 -2.54 0.00 0.00 175.29 170.86 1t3o s LYS 73 N -2.29 4.20 0.00 9.60 0.00 -1.26 -5.19 119.74 124.79 1t3o s LYS 73 Ca 0.58 0.15 0.00 0.00 0.00 0.00 0.00 55.97 56.69 1t3o s LYS 73 Cb -0.40 -3.40 0.00 0.00 0.00 0.00 0.00 37.83 34.04 1t3o s LYS 73 CO 0.51 0.29 0.00 1.17 0.00 0.00 0.00 175.35 177.32