#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 0.91 0.00 0.41 3.41 -1.26 -4.82 113.62 112.27 1t3o n SER -8 Ca 0.00 -2.00 0.12 0.00 -0.26 0.00 0.00 58.87 56.73 1t3o n SER -8 Cb 0.00 -0.29 0.55 0.00 -0.26 0.00 0.00 64.21 64.21 1t3o n SER -8 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1t3o n SER -7 N 0.46 0.00 0.00 4.04 2.88 -1.26 -1.81 113.62 117.92 1t3o n SER -7 Ca 0.05 0.37 0.08 0.00 -1.33 0.00 0.00 58.87 58.04 1t3o n SER -7 Cb 1.11 -0.45 0.49 0.00 -0.75 0.00 0.00 64.21 64.61 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 0.99 -0.90 3.70 0.46 0.00 -1.26 -4.80 105.19 103.38 1t3o n GLY -6 Ca 0.07 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 3.08 0.12 1.61 5.65 -0.75 -4.98 115.29 118.02 1t3o s HIS -5 Ca 0.25 0.93 -0.30 0.00 0.25 0.00 0.00 55.06 56.18 1t3o s HIS -5 Cb 0.11 -3.65 -0.06 0.00 -1.18 0.00 0.00 32.58 27.81 1t3o s HIS -5 CO 0.19 -2.30 1.04 0.96 -0.65 0.00 0.00 174.74 173.98 1t3o s ILE -4 N 1.69 4.27 0.20 0.89 -0.00 -1.26 -5.04 121.20 121.94 1t3o s ILE -4 Ca 0.64 1.85 0.01 0.00 -0.00 0.00 0.00 60.65 63.14 1t3o s ILE -4 Cb -0.34 -4.18 -0.00 0.00 -0.00 0.00 0.00 42.46 37.94 1t3o s ILE -4 CO 0.29 0.27 0.03 -0.62 -0.00 0.00 0.00 174.94 174.90 1t3o n GLU -3 N 2.86 1.17 0.00 0.37 1.02 -1.26 -4.95 120.64 119.85 1t3o n GLU -3 Ca 0.03 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 1t3o n GLU -3 Cb 0.48 0.59 0.00 0.00 -0.02 0.00 0.00 31.44 32.49 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 1.79 1.69 3.94 0.62 0.00 -1.26 -5.13 105.19 106.84 1t3o n GLY -2 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 2.76 -0.04 1.61 1.70 -1.26 -4.54 118.95 119.17 1t3o s ARG -1 Ca 0.00 -0.28 0.01 0.00 -0.47 0.00 0.00 55.73 54.98 1t3o s ARG -1 Cb 0.00 -2.35 0.02 0.00 -0.57 0.00 0.00 34.95 32.05 1t3o s ARG -1 CO 0.00 -0.71 -0.02 -3.38 -1.08 0.00 0.00 175.30 170.11 1t3o s HIS 0 N -2.91 0.56 -0.29 5.89 -3.43 -1.00 -4.95 115.29 109.18 1t3o s HIS 0 Ca 0.54 -0.12 -0.02 0.00 -0.80 0.00 0.00 55.06 54.67 1t3o s HIS 0 Cb -0.10 -0.58 0.04 0.00 -1.43 0.00 0.00 32.58 30.51 1t3o s HIS 0 CO 0.42 -0.18 -0.02 1.41 -2.00 0.00 0.00 174.74 174.37 1t3o s MET 1 N 1.07 2.52 -0.32 -0.38 0.00 -1.26 -1.07 119.30 119.86 1t3o s MET 1 Ca -0.09 -1.20 -0.12 0.00 0.00 0.00 0.00 55.69 54.28 1t3o s MET 1 Cb -0.14 -3.12 -0.03 0.00 0.00 0.00 0.00 34.83 31.54 1t3o s MET 1 CO -0.01 -0.57 0.22 -1.17 0.00 0.00 0.00 175.02 173.49 1t3o s LEU 2 N 1.26 4.35 -0.16 4.11 1.98 0.60 -4.84 118.68 125.98 1t3o s LEU 2 Ca -0.04 -0.29 -0.27 0.00 -2.89 0.00 0.00 54.13 50.63 1t3o s LEU 2 Cb -0.19 -2.13 -0.01 0.00 0.66 0.00 0.00 46.19 44.52 1t3o s LEU 2 CO -0.02 -0.17 0.93 0.68 -1.89 0.00 0.00 176.35 175.87 1t3o s VAL 3 N 1.73 4.81 -0.20 1.68 -7.23 -1.26 -0.70 120.40 119.23 1t3o s VAL 3 Ca 0.06 1.84 -0.05 0.00 -1.81 0.00 0.00 61.98 62.02 1t3o s VAL 3 Cb -0.17 -4.23 -0.03 0.00 0.56 0.00 0.00 36.38 32.52 1t3o s VAL 3 CO 0.11 -0.02 0.00 -0.76 -0.31 0.00 0.00 175.10 174.12 1t3o s LEU 4 N 2.32 3.29 -0.60 1.32 1.43 0.32 -4.51 118.68 122.25 1t3o s LEU 4 Ca 0.42 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 53.12 1t3o s LEU 4 Cb -0.17 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.28 1t3o s LEU 4 CO 0.13 0.07 0.92 -0.44 0.23 0.00 0.00 176.35 177.26 1t3o s SER 5 N 0.94 6.24 -0.13 2.29 0.01 -1.26 -0.96 113.70 120.83 1t3o s SER 5 Ca 0.01 -0.74 -0.05 0.00 1.31 0.00 0.00 55.95 56.49 1t3o s SER 5 Cb -0.14 -2.41 0.06 0.00 0.21 0.00 0.00 66.02 63.74 1t3o s SER 5 CO 0.02 -1.31 0.26 -0.60 0.41 0.00 0.00 173.24 172.02 1t3o s ARG 6 N 3.88 0.14 -0.46 12.44 3.52 -1.13 -4.98 118.95 132.36 1t3o s ARG 6 Ca 0.25 0.74 -0.02 0.00 -0.13 0.00 0.00 55.73 56.57 1t3o s ARG 6 Cb -0.15 -0.05 0.27 0.00 -1.56 0.00 0.00 34.95 33.46 1t3o s ARG 6 CO 0.14 -0.29 2.11 1.63 -0.81 0.00 0.00 175.30 178.08 1t3o n LYS 7 N 5.35 2.17 -0.01 5.12 4.01 -1.21 -3.20 118.16 130.39 1t3o n LYS 7 Ca -0.06 -2.25 0.02 0.00 -0.51 0.00 0.00 58.31 55.51 1t3o n LYS 7 Cb 0.50 -1.90 -0.06 0.00 -0.51 0.00 0.00 35.03 33.05 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 -0.01 0.13 -4.49 -0.18 2.08 -1.26 -5.00 119.36 110.63 1t3o n ILE 8 Ca 0.43 -0.21 -0.40 0.00 0.56 0.00 0.00 62.75 63.13 1t3o n ILE 8 Cb 0.58 0.03 -0.08 0.00 -0.75 0.00 0.00 39.64 39.42 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 -1.90 -1.27 -2.03 4.38 6.94 -1.20 -4.95 115.26 115.24 1t3o n ASN 9 Ca -0.04 -1.25 0.00 0.00 -0.02 0.00 0.00 54.58 53.27 1t3o n ASN 9 Cb 0.34 -1.65 0.00 0.00 -2.36 0.00 0.00 39.78 36.12 1t3o n ASN 9 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1t3o n GLU 10 N -4.19 0.54 -4.60 -3.83 0.28 -1.26 -5.09 120.64 102.49 1t3o n GLU 10 Ca 0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.68 1t3o n GLU 10 Cb 0.51 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.26 1t3o n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1t3o s ALA 11 N -3.42 2.96 -0.36 -1.84 0.00 -1.26 -4.74 121.76 113.11 1t3o s ALA 11 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 1t3o s ALA 11 Cb 0.00 -1.28 0.04 0.00 0.00 0.00 0.00 23.12 21.87 1t3o s ALA 11 CO 0.00 0.49 0.15 0.42 0.00 0.00 0.00 175.76 176.83 1t3o s ILE 12 N -0.55 4.13 -0.26 0.00 -1.09 -1.15 -4.99 121.20 117.29 1t3o s ILE 12 Ca 0.08 -1.03 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 1t3o s ILE 12 Cb -0.12 -3.33 0.07 0.00 -1.58 0.00 0.00 42.46 37.50 1t3o s ILE 12 CO 0.02 -0.22 -0.04 -1.58 -1.23 0.00 0.00 174.94 171.89 1t3o s GLN 13 N 1.47 1.65 -0.18 2.79 2.00 -1.25 -1.86 119.66 124.28 1t3o s GLN 13 Ca -0.00 -1.19 -0.01 0.00 -2.00 0.00 0.00 55.36 52.16 1t3o s GLN 13 Cb -0.19 -2.69 0.00 0.00 0.80 0.00 0.00 33.01 30.93 1t3o s GLN 13 CO 0.04 -0.67 -0.13 0.96 -0.50 0.00 0.00 175.29 174.99 1t3o s ILE 14 N 1.29 2.72 0.00 -2.34 -0.00 -0.77 -4.87 121.20 117.22 1t3o s ILE 14 Ca -0.03 -0.73 0.00 0.00 -0.00 0.00 0.00 60.65 59.89 1t3o s ILE 14 Cb -0.19 -2.18 0.00 0.00 -0.00 0.00 0.00 42.46 40.09 1t3o s ILE 14 CO -0.08 0.49 0.00 0.61 -0.00 0.00 0.00 174.94 175.97 1t3o n GLY 15 N 4.42 1.69 0.00 6.27 0.00 -1.26 -3.26 105.19 113.05 1t3o n GLY 15 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.13 4.61 0.00 -1.26 -5.00 120.51 118.99 1t3o n ALA 16 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1t3o n ALA 16 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 1t3o n ALA 16 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1t3o h ASP 17 N 0.00 0.11 -3.71 0.00 5.19 -1.93 -3.40 116.42 112.67 1t3o h ASP 17 Ca 0.00 -0.05 -0.65 0.00 -0.62 0.00 0.00 57.03 55.71 1t3o h ASP 17 Cb 0.00 -0.03 -0.39 0.00 0.18 0.00 0.00 39.33 39.09 1t3o h ASP 17 CO 0.00 0.62 -0.76 -0.63 -3.12 0.00 0.00 179.24 175.34 1t3o s ILE 18 N -3.85 1.99 -0.24 0.35 -1.09 -1.21 -5.05 121.20 112.11 1t3o s ILE 18 Ca -0.03 -1.80 0.02 0.00 -2.23 0.00 0.00 60.65 56.61 1t3o s ILE 18 Cb 0.13 -2.29 0.05 0.00 -1.58 0.00 0.00 42.46 38.77 1t3o s ILE 18 CO 0.76 -0.30 -0.13 -0.70 -1.23 0.00 0.00 174.94 173.35 1t3o s GLU 19 N 1.12 2.37 -0.30 2.79 2.56 -1.25 -1.85 118.70 124.14 1t3o s GLU 19 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 54.97 53.57 1t3o s GLU 19 Cb -0.19 -2.77 0.19 0.00 2.00 0.00 0.00 34.13 33.36 1t3o s GLU 19 CO -0.08 -0.48 1.36 0.54 -0.56 0.00 0.00 175.26 176.05 1t3o s VAL 20 N 1.17 0.00 -0.31 3.70 0.11 -0.78 -5.02 120.40 119.27 1t3o s VAL 20 Ca -0.05 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1t3o s VAL 20 Cb -0.18 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.77 1t3o s VAL 20 CO -0.07 0.00 0.10 -1.59 -3.33 0.00 0.00 175.10 170.21 1t3o s LYS 21 N 0.37 0.69 -0.40 1.54 0.00 -1.26 -2.92 119.74 117.76 1t3o s LYS 21 Ca 0.02 -1.07 -0.10 0.00 0.00 0.00 0.00 55.97 54.82 1t3o s LYS 21 Cb -0.04 -1.94 0.06 0.00 0.00 0.00 0.00 37.83 35.91 1t3o s LYS 21 CO -0.14 -1.00 0.24 0.08 0.00 0.00 0.00 175.35 174.54 1t3o s VAL 22 N 1.60 4.45 -0.18 1.79 1.01 -1.22 -4.90 120.40 122.96 1t3o s VAL 22 Ca 0.10 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 1t3o s VAL 22 Cb -0.17 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1t3o s VAL 22 CO -0.25 -0.39 0.53 -0.63 0.00 0.00 0.00 175.10 174.36 1t3o s ILE 23 N 1.50 5.11 0.44 2.22 1.01 -1.26 0.11 121.20 130.33 1t3o s ILE 23 Ca 0.02 0.99 0.02 0.00 0.00 0.00 0.00 60.65 61.69 1t3o s ILE 23 Cb -0.21 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 1t3o s ILE 23 CO 0.04 0.20 0.08 0.00 0.00 0.00 0.00 174.94 175.27 1t3o n ALA 24 N 4.57 0.51 -2.61 9.38 0.00 -0.62 -5.00 120.51 126.74 1t3o n ALA 24 Ca -0.05 -2.13 -0.40 0.00 0.00 0.00 0.00 53.44 50.86 1t3o n ALA 24 Cb 0.51 1.32 -0.07 0.00 0.00 0.00 0.00 19.45 21.20 1t3o n ALA 24 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t3o s VAL 25 N -2.96 5.01 -0.25 0.00 1.01 -1.26 -4.07 120.40 117.89 1t3o s VAL 25 Ca 0.12 0.88 0.11 0.00 0.00 0.00 0.00 61.98 63.08 1t3o s VAL 25 Cb 0.01 -3.90 0.46 0.00 0.00 0.00 0.00 36.38 32.95 1t3o s VAL 25 CO 0.08 -0.01 1.36 1.21 0.00 0.00 0.00 175.10 177.74 1t3o n GLU 26 N 5.68 1.78 0.00 2.72 4.07 -1.08 -5.01 120.64 128.80 1t3o n GLU 26 Ca -0.03 -3.17 0.00 0.00 -0.06 0.00 0.00 57.16 53.90 1t3o n GLU 26 Cb 0.49 -1.73 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 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 -1.11 1.90 0.22 8.31 0.00 -1.26 -3.45 105.19 109.80 1t3o n GLY 27 Ca 0.27 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 4.42 1.01 -4.44 1.61 9.92 -1.26 -5.06 116.55 122.75 1t3o n ASP 28 Ca 0.00 -2.19 -0.30 0.00 -0.53 0.00 0.00 54.79 51.76 1t3o n ASP 28 Cb 0.00 -0.22 -0.13 0.00 -0.64 0.00 0.00 41.12 40.13 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 -1.05 1.95 -0.17 -1.24 0.74 -1.22 -5.12 119.66 113.55 1t3o s GLN 29 Ca 0.10 -1.05 -0.04 0.00 0.05 0.00 0.00 55.36 54.42 1t3o s GLN 29 Cb 0.09 -2.13 -0.02 0.00 1.10 0.00 0.00 33.01 32.05 1t3o s GLN 29 CO 0.01 0.52 -0.04 0.14 -0.55 0.00 0.00 175.29 175.37 1t3o s VAL 30 N -0.94 3.78 0.03 1.34 -7.23 -1.26 -2.64 120.40 113.47 1t3o s VAL 30 Ca 0.15 -0.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.94 1t3o s VAL 30 Cb -0.10 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 1t3o s VAL 30 CO 0.05 0.48 -0.06 -1.59 -0.31 0.00 0.00 175.10 173.67 1t3o s LYS 31 N 0.59 0.42 0.33 4.82 -2.85 -1.26 -2.83 119.74 118.97 1t3o s LYS 31 Ca -0.03 -0.66 0.05 0.00 -1.00 0.00 0.00 55.97 54.33 1t3o s LYS 31 Cb -0.14 -0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.49 1t3o s LYS 31 CO 0.03 0.01 0.47 -0.48 0.10 0.00 0.00 175.35 175.48 1t3o s LEU 32 N -1.45 4.02 -0.03 2.77 0.05 -0.13 -1.59 118.68 122.32 1t3o s LEU 32 Ca -0.12 -0.05 0.00 0.00 0.05 0.00 0.00 54.13 54.01 1t3o s LEU 32 Cb -0.10 -2.85 0.03 0.00 -2.05 0.00 0.00 46.19 41.23 1t3o s LEU 32 CO -0.00 -0.38 0.02 -0.83 -0.55 0.00 0.00 176.35 174.61 1t3o s GLY 33 N -4.13 0.19 -0.26 -3.48 0.00 0.12 0.12 107.32 99.87 1t3o s GLY 33 Ca 0.43 0.21 -0.16 0.00 0.00 0.00 0.00 44.72 45.20 1t3o s GLY 33 CO 0.32 0.70 0.43 -0.26 0.00 0.00 0.00 173.10 174.29 1t3o s ILE 34 N 1.14 5.13 -0.10 0.90 -4.36 0.12 -3.40 121.20 120.64 1t3o s ILE 34 Ca -0.08 0.71 0.01 0.00 -0.26 0.00 0.00 60.65 61.02 1t3o s ILE 34 Cb -0.13 -3.75 -0.02 0.00 1.25 0.00 0.00 42.46 39.80 1t3o s ILE 34 CO -0.02 0.13 -0.11 -0.62 0.24 0.00 0.00 174.94 174.56 1t3o s ASP 35 N 1.56 4.21 0.03 4.36 2.15 -1.26 -0.29 116.67 127.43 1t3o s ASP 35 Ca 0.18 -0.21 0.01 0.00 0.43 0.00 0.00 52.55 52.96 1t3o s ASP 35 Cb -0.16 -1.33 -0.02 0.00 -0.30 0.00 0.00 42.92 41.12 1t3o s ASP 35 CO 0.09 0.25 -0.06 0.00 -0.17 0.00 0.00 175.17 175.29 1t3o s ALA 36 N -0.17 0.39 -0.28 3.66 0.00 -0.23 -4.97 121.76 120.16 1t3o s ALA 36 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1t3o s ALA 36 Cb -0.13 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1t3o s ALA 36 CO 0.03 -0.03 0.49 -2.30 0.00 0.00 0.00 175.76 173.95 1t3o n PRO 37 N 1.90 0.57 -1.66 0.00 -0.02 -1.26 -2.36 135.00 132.17 1t3o n PRO 37 Ca -0.20 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.15 1t3o n PRO 37 Cb 0.56 -1.23 -0.04 0.00 -0.02 0.00 0.00 33.50 32.76 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 0.57 -0.93 -0.20 -0.52 3.00 -1.26 -4.85 118.16 113.98 1t3o n LYS 38 Ca 0.00 0.84 -0.06 0.00 -0.00 0.00 0.00 58.31 59.08 1t3o n LYS 38 Cb 0.24 -4.93 0.05 0.00 0.00 0.00 0.00 35.03 30.40 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 -3.09 -3.08 -3.07 5.64 1.44 -1.26 -5.04 115.22 106.76 1t3o n HIS 39 Ca -0.13 -0.20 -0.29 0.00 -2.01 0.00 0.00 57.72 55.08 1t3o n HIS 39 Cb 0.48 -0.24 -0.03 0.00 0.12 0.00 0.00 29.99 30.32 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 -1.39 4.92 -0.42 0.61 -0.00 -1.26 -5.05 121.20 118.61 1t3o s ILE 40 Ca 0.15 0.27 -0.14 0.00 -0.00 0.00 0.00 60.65 60.93 1t3o s ILE 40 Cb -0.02 -3.75 0.03 0.00 -0.00 0.00 0.00 42.46 38.72 1t3o s ILE 40 CO 0.11 -0.47 0.30 1.51 -0.00 0.00 0.00 174.94 176.40 1t3o s ASP 41 N -3.31 6.04 0.46 4.36 -4.77 -1.26 -5.07 116.67 113.13 1t3o s ASP 41 Ca 0.47 -1.03 -0.20 0.00 -3.30 0.00 0.00 52.55 48.50 1t3o s ASP 41 Cb -0.10 -2.14 -0.10 0.00 -1.09 0.00 0.00 42.92 39.49 1t3o s ASP 41 CO 0.32 -0.48 0.98 -0.63 0.70 0.00 0.00 175.17 176.06 1t3o s ILE 42 N 1.64 4.26 0.08 2.11 -1.09 -1.26 -5.07 121.20 121.87 1t3o s ILE 42 Ca 0.04 1.33 -0.01 0.00 -2.23 0.00 0.00 60.65 59.78 1t3o s ILE 42 Cb -0.20 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1t3o s ILE 42 CO 0.09 -0.38 -0.00 -1.00 -1.23 0.00 0.00 174.94 172.42 1t3o s HIS 43 N -2.23 0.67 0.00 3.97 3.76 -1.26 -4.75 115.29 115.45 1t3o s HIS 43 Ca 0.63 -1.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1t3o s HIS 43 Cb -0.11 -0.43 0.00 0.00 1.11 0.00 0.00 32.58 33.15 1t3o s HIS 43 CO 0.19 -0.41 0.00 -2.13 -0.85 0.00 0.00 174.74 171.53 1t3o n ARG 44 N 0.03 0.00 0.01 1.40 0.63 -1.26 -4.95 116.66 112.51 1t3o n ARG 44 Ca -0.11 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 1t3o n ARG 44 Cb 0.62 -0.88 0.00 0.00 0.45 0.00 0.00 32.46 32.65 1t3o n ARG 44 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1t3o n LYS 45 N -1.94 0.00 -1.67 -0.14 4.76 -1.26 -4.93 118.16 112.99 1t3o n LYS 45 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 1t3o n LYS 45 Cb 0.00 -0.02 0.06 0.00 -1.84 0.00 0.00 35.03 33.23 1t3o n LYS 45 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1t3o n GLU 46 N -2.57 2.76 -2.40 1.97 0.28 -1.26 -4.93 120.64 114.49 1t3o n GLU 46 Ca 0.00 -3.45 -0.01 0.00 -0.16 0.00 0.00 57.16 53.54 1t3o n GLU 46 Cb 0.00 -2.28 -0.01 0.00 1.43 0.00 0.00 31.44 30.58 1t3o n GLU 46 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1t3o n ILE 47 N -0.72 -5.45 1.15 3.84 -5.35 -1.26 -4.89 119.36 106.68 1t3o n ILE 47 Ca 0.58 1.21 0.13 0.00 -0.27 0.00 0.00 62.75 64.40 1t3o n ILE 47 Cb 0.46 -3.58 0.50 0.00 -1.74 0.00 0.00 39.64 35.27 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 2.04 0.00 0.00 4.28 0.18 -1.26 -4.53 117.16 117.87 1t3o n TYR 48 Ca -0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.72 1t3o n TYR 48 Cb 0.09 -0.30 0.00 0.00 -0.38 0.00 0.00 39.34 38.75 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 -1.29 0.00 0.00 -3.48 4.77 -1.26 -4.86 117.00 110.88 1t3o n LEU 49 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1t3o n LEU 49 Cb 0.32 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1t3o n LEU 49 CO 0.28 -0.13 0.00 0.41 -1.33 0.00 0.00 177.39 176.63 1t3o n THR 50 N -1.73 0.00 0.26 -5.08 -1.04 -1.26 -4.75 114.28 100.68 1t3o n THR 50 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1t3o n THR 50 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 -1.97 0.48 117.51 130.63 1t3o h ILE 51 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 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 -0.02 0.00 0.00 0.00 0.00 178.15 178.13 1t3o n GLN 52 N -3.91 1.29 -0.08 2.37 10.64 -1.26 -1.57 117.38 124.87 1t3o n GLN 52 Ca -0.08 -0.51 -0.15 0.00 -1.83 0.00 0.00 57.00 54.43 1t3o n GLN 52 Cb 0.27 -1.49 -0.12 0.00 -0.86 0.00 0.00 30.24 28.04 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 1.24 0.00 -0.86 2.61 4.22 -1.84 -0.59 114.58 119.36 1t3o h GLU 53 Ca 0.00 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.45 1t3o h GLU 53 Cb 0.29 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1t3o h GLU 53 CO 0.00 0.95 0.57 0.93 -2.18 0.00 0.00 179.01 179.28 1t3o h GLU 54 N -1.00 1.12 0.00 1.92 5.08 -0.04 -3.40 114.58 118.26 1t3o h GLU 54 Ca -0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1t3o h GLU 54 Cb 1.01 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1t3o h GLU 54 CO -0.04 0.74 0.00 -1.71 -1.00 0.00 0.00 179.01 177.00 1t3o n ASN 55 N -4.41 0.00 0.00 1.42 4.05 -0.61 -4.66 115.26 111.05 1t3o n ASN 55 Ca 0.10 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.13 1t3o n ASN 55 Cb 0.03 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.04 1t3o n ASN 55 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1t3o n ASN 56 N 0.00 0.00 0.01 1.20 2.85 -0.23 -3.57 115.26 115.53 1t3o n ASN 56 Ca 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 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 0.09 -3.91 1.20 1.85 -1.26 -4.72 116.66 109.91 1t3o n ARG 57 Ca 0.00 0.03 -0.30 0.00 -1.00 0.00 0.00 57.85 56.58 1t3o n ARG 57 Cb 0.00 -0.56 -0.14 0.00 -1.05 0.00 0.00 32.46 30.71 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 -2.21 2.95 0.32 2.89 0.00 -1.23 -5.09 121.76 119.39 1t3o s ALA 58 Ca -0.05 -2.95 -0.29 0.00 0.00 0.00 0.00 51.96 48.67 1t3o s ALA 58 Cb 0.01 -2.05 -0.12 0.00 0.00 0.00 0.00 23.12 20.95 1t3o s ALA 58 CO 0.07 -1.95 1.44 0.00 0.00 0.00 0.00 175.76 175.32 1t3o n ALA 59 N 3.47 1.86 -3.13 0.00 0.00 -1.26 -4.56 120.51 116.89 1t3o n ALA 59 Ca 0.05 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.79 1t3o n ALA 59 Cb 0.35 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 1t3o n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3o s ALA 60 N -0.67 -1.60 0.00 0.00 0.00 -1.26 -5.07 121.76 113.16 1t3o s ALA 60 Ca 0.59 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1t3o s ALA 60 Cb -0.54 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1t3o s ALA 60 CO 0.57 -2.19 0.00 -0.11 0.00 0.00 0.00 175.76 174.03 1t3o n LEU 61 N 3.85 0.00 0.00 0.00 -0.00 -1.26 -4.64 117.00 114.95 1t3o n LEU 61 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 1t3o n LEU 61 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1t3o n LEU 61 CO 0.02 0.00 0.00 -0.24 -0.00 0.00 0.00 177.39 177.17 1t3o n SER 62 N 0.00 0.00 0.23 1.96 2.88 -1.26 -3.60 113.62 113.83 1t3o n SER 62 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1t3o n SER 62 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 1t3o n SER 62 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1t3o h SER 63 N 0.00 0.00 -5.53 -3.46 0.87 -2.00 -3.48 113.55 99.95 1t3o h SER 63 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1t3o h SER 63 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1t3o h SER 63 CO 0.00 0.00 -0.43 -0.67 -0.53 0.00 0.00 176.83 175.20 1t3o n ASP 64 N -3.09 -7.47 0.00 6.23 -0.08 -1.24 -5.03 116.55 105.87 1t3o n ASP 64 Ca 0.04 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 1t3o n ASP 64 Cb 0.50 -4.78 0.00 0.00 2.34 0.00 0.00 41.12 39.19 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 -0.96 0.00 -0.03 5.18 0.31 -1.26 -4.90 118.33 116.68 1t3o n VAL 65 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.35 1t3o n VAL 65 Cb 0.51 -0.06 -0.06 0.00 -0.91 0.00 0.00 33.84 33.32 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 0.00 0.34 0.00 2.52 2.08 -1.26 -5.03 119.36 118.01 1t3o n ILE 66 Ca 0.00 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.04 1t3o n ILE 66 Cb 0.00 -0.44 0.00 0.00 -0.75 0.00 0.00 39.64 38.45 1t3o n ILE 66 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1t3o n SER 67 N -2.11 0.00 -4.64 4.38 7.64 -1.26 -4.72 113.62 112.91 1t3o n SER 67 Ca -0.09 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.37 1t3o n SER 67 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1t3o n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3o s ALA 68 N -0.20 3.54 -0.76 -0.43 0.00 -1.26 -4.06 121.76 118.58 1t3o s ALA 68 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1t3o s ALA 68 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1t3o s ALA 68 CO 0.00 -1.33 0.65 1.28 0.00 0.00 0.00 175.76 176.36 1t3o n LEU 69 N 6.59 -4.52 0.18 0.00 4.77 -1.26 -4.89 117.00 117.87 1t3o n LEU 69 Ca 0.10 -0.46 0.06 0.00 -0.03 0.00 0.00 56.01 55.68 1t3o n LEU 69 Cb 0.47 -2.52 0.19 0.00 -2.33 0.00 0.00 43.42 39.24 1t3o n LEU 69 CO 0.55 -0.45 0.63 0.28 -1.33 0.00 0.00 177.39 177.07 1t3o h SER 70 N 0.21 0.00 -0.87 -1.43 0.02 -1.88 -3.01 113.55 106.59 1t3o h SER 70 Ca -0.30 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.15 1t3o h SER 70 Cb 1.19 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.46 1t3o h SER 70 CO 0.33 0.34 0.51 -1.54 -1.14 0.00 0.00 176.83 175.32 1t3o n SER 71 N -3.27 4.60 -4.68 3.07 3.41 -1.26 -4.88 113.62 110.61 1t3o n SER 71 Ca 0.02 -3.70 -0.41 0.00 -0.26 0.00 0.00 58.87 54.52 1t3o n SER 71 Cb 0.60 -0.82 0.01 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.06 1.81 -2.12 4.33 10.64 -1.14 -4.94 117.38 124.90 1t3o n GLN 72 Ca 0.55 0.64 -0.37 0.00 -1.83 0.00 0.00 57.00 56.00 1t3o n GLN 72 Cb 1.27 -2.30 0.01 0.00 -0.86 0.00 0.00 30.24 28.36 1t3o n GLN 72 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1t3o s LYS 73 N -2.14 3.43 0.00 2.61 0.00 -1.26 -5.19 119.74 117.20 1t3o s LYS 73 Ca 0.61 1.85 0.00 0.00 0.00 0.00 0.00 55.97 58.43 1t3o s LYS 73 Cb -0.53 -2.23 0.00 0.00 0.00 0.00 0.00 37.83 35.07 1t3o s LYS 73 CO 0.58 -0.84 0.26 1.63 0.00 0.00 0.00 175.35 176.98