#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 -4.92 -4.88 0.41 2.88 -1.26 -4.96 113.62 100.90 1t3o n SER -8 Ca 0.00 0.81 -0.30 0.00 -1.33 0.00 0.00 58.87 58.05 1t3o n SER -8 Cb 0.00 -3.47 -0.01 0.00 -0.75 0.00 0.00 64.21 59.98 1t3o n SER -8 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1t3o s SER -7 N -0.86 6.36 0.00 -3.46 0.15 -1.26 -3.54 113.70 111.08 1t3o s SER -7 Ca -0.02 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.88 1t3o s SER -7 Cb 0.00 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1t3o s SER -7 CO 0.45 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1t3o n GLY -6 N -2.13 0.79 3.63 9.45 0.00 -1.26 -5.03 105.19 110.64 1t3o n GLY -6 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.98 3.29 0.16 1.61 5.65 -1.23 -5.06 115.29 116.72 1t3o s HIS -5 Ca 0.00 0.35 -0.30 0.00 0.25 0.00 0.00 55.06 55.36 1t3o s HIS -5 Cb 0.00 -2.44 -0.07 0.00 -1.18 0.00 0.00 32.58 28.89 1t3o s HIS -5 CO 0.00 -0.08 1.07 -1.50 -0.65 0.00 0.00 174.74 173.58 1t3o s ILE -4 N 1.56 4.00 -0.35 0.89 1.10 -1.26 -5.02 121.20 122.11 1t3o s ILE -4 Ca 0.12 1.71 0.02 0.00 -0.51 0.00 0.00 60.65 61.99 1t3o s ILE -4 Cb -0.15 -4.09 0.11 0.00 0.15 0.00 0.00 42.46 38.48 1t3o s ILE -4 CO 0.08 0.29 0.10 -1.61 -2.11 0.00 0.00 174.94 171.69 1t3o s GLU -3 N -0.28 1.22 -0.06 3.50 0.41 -1.26 -4.92 118.70 117.31 1t3o s GLU -3 Ca 0.49 -1.67 0.01 0.00 -0.41 0.00 0.00 54.97 53.39 1t3o s GLU -3 Cb -0.28 -2.69 0.09 0.00 -1.78 0.00 0.00 34.13 29.48 1t3o s GLU -3 CO 0.34 -0.99 1.07 0.41 -0.49 0.00 0.00 175.26 175.60 1t3o n GLY -2 N 4.30 2.27 3.23 -1.39 0.00 -1.26 -4.74 105.19 107.60 1t3o n GLY -2 Ca 0.02 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.53 1.01 -0.02 1.61 1.70 -1.26 -3.25 118.95 118.21 1t3o s ARG -1 Ca 0.08 -1.37 0.01 0.00 -0.47 0.00 0.00 55.73 53.98 1t3o s ARG -1 Cb 0.06 -0.63 0.01 0.00 -0.57 0.00 0.00 34.95 33.82 1t3o s ARG -1 CO 0.02 0.09 -0.04 -3.38 -1.08 0.00 0.00 175.30 170.90 1t3o s HIS 0 N -3.02 0.48 -0.50 5.89 -3.43 0.03 -4.88 115.29 109.88 1t3o s HIS 0 Ca 0.13 -0.09 -0.16 0.00 -0.80 0.00 0.00 55.06 54.15 1t3o s HIS 0 Cb 0.01 -0.39 0.09 0.00 -1.43 0.00 0.00 32.58 30.85 1t3o s HIS 0 CO 0.01 -0.07 0.44 1.41 -2.00 0.00 0.00 174.74 174.52 1t3o s MET 1 N 0.33 2.99 -0.27 -0.38 1.75 -1.26 -1.63 119.30 120.84 1t3o s MET 1 Ca -0.04 -1.46 -0.10 0.00 -1.25 0.00 0.00 55.69 52.85 1t3o s MET 1 Cb -0.07 -4.19 -0.04 0.00 2.84 0.00 0.00 34.83 33.37 1t3o s MET 1 CO -0.00 -1.13 0.15 -1.17 -0.65 0.00 0.00 175.02 172.22 1t3o s LEU 2 N 1.66 3.87 0.09 4.11 1.98 0.20 -4.86 118.68 125.72 1t3o s LEU 2 Ca 0.04 -0.05 -0.28 0.00 -2.89 0.00 0.00 54.13 50.95 1t3o s LEU 2 Cb -0.26 -2.07 -0.06 0.00 0.66 0.00 0.00 46.19 44.47 1t3o s LEU 2 CO 0.06 -0.03 0.90 0.68 -1.89 0.00 0.00 176.35 176.06 1t3o s VAL 3 N 1.65 4.58 -0.14 1.68 -7.23 -1.26 0.09 120.40 119.77 1t3o s VAL 3 Ca 0.07 1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 62.13 1t3o s VAL 3 Cb -0.16 -4.25 -0.03 0.00 0.56 0.00 0.00 36.38 32.50 1t3o s VAL 3 CO 0.08 0.33 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.95 1t3o s LEU 4 N -0.02 3.24 -0.54 1.32 0.20 0.36 -4.94 118.68 118.31 1t3o s LEU 4 Ca 0.44 -0.10 -0.23 0.00 0.69 0.00 0.00 54.13 54.93 1t3o s LEU 4 Cb -0.22 -1.77 0.04 0.00 -0.43 0.00 0.00 46.19 43.81 1t3o s LEU 4 CO 0.28 0.21 0.88 -0.44 -0.29 0.00 0.00 176.35 176.99 1t3o s SER 5 N 0.10 6.32 -0.14 3.68 0.01 -1.26 -1.54 113.70 120.87 1t3o s SER 5 Ca -0.01 -0.46 -0.04 0.00 1.31 0.00 0.00 55.95 56.75 1t3o s SER 5 Cb -0.14 -2.41 0.07 0.00 0.21 0.00 0.00 66.02 63.75 1t3o s SER 5 CO 0.03 -1.17 0.22 -0.60 0.41 0.00 0.00 173.24 172.13 1t3o s ARG 6 N 3.71 0.13 -0.61 12.44 6.06 -1.09 -4.98 118.95 134.60 1t3o s ARG 6 Ca 0.28 0.55 -0.01 0.00 -2.50 0.00 0.00 55.73 54.04 1t3o s ARG 6 Cb -0.14 -0.42 0.45 0.00 0.06 0.00 0.00 34.95 34.90 1t3o s ARG 6 CO 0.18 -0.39 2.02 1.63 -2.50 0.00 0.00 175.30 176.23 1t3o n LYS 7 N 5.34 2.56 0.00 5.12 4.01 -1.18 -3.63 118.16 130.37 1t3o n LYS 7 Ca -0.05 -3.09 0.00 0.00 -0.51 0.00 0.00 58.31 54.65 1t3o n LYS 7 Cb 0.50 -2.21 0.00 0.00 -0.51 0.00 0.00 35.03 32.80 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 -0.82 0.00 -3.36 -0.18 5.41 -1.26 -4.99 119.36 114.15 1t3o n ILE 8 Ca 0.59 -0.47 -0.20 0.00 1.00 0.00 0.00 62.75 63.68 1t3o n ILE 8 Cb 0.76 1.06 -0.03 0.00 -0.71 0.00 0.00 39.64 40.72 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 -0.02 -1.90 -2.65 4.38 0.23 -1.24 -4.93 115.26 109.13 1t3o n ASN 9 Ca 0.00 -0.28 -0.08 0.00 -0.53 0.00 0.00 54.58 53.69 1t3o n ASN 9 Cb 0.02 -1.68 0.05 0.00 -2.08 0.00 0.00 39.78 36.09 1t3o n ASN 9 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1t3o n GLU 10 N -3.28 -0.15 -4.16 -3.83 0.28 -1.26 -5.08 120.64 103.16 1t3o n GLU 10 Ca 0.03 -0.70 -0.30 0.00 -0.16 0.00 0.00 57.16 56.04 1t3o n GLU 10 Cb 0.49 -0.35 -0.09 0.00 1.43 0.00 0.00 31.44 32.93 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 -3.64 3.17 -0.31 -1.84 0.00 -1.26 -4.72 121.76 113.15 1t3o s ALA 11 Ca 0.22 -1.17 -0.08 0.00 0.00 0.00 0.00 51.96 50.93 1t3o s ALA 11 Cb -0.01 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 22.04 1t3o s ALA 11 CO 0.15 0.68 0.11 0.42 0.00 0.00 0.00 175.76 177.12 1t3o s ILE 12 N -1.28 4.19 -0.41 0.00 -1.09 -1.18 -4.98 121.20 116.43 1t3o s ILE 12 Ca 0.24 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1t3o s ILE 12 Cb -0.11 -3.19 0.11 0.00 -1.58 0.00 0.00 42.46 37.69 1t3o s ILE 12 CO 0.17 0.02 0.18 -1.58 -1.23 0.00 0.00 174.94 172.50 1t3o s GLN 13 N 1.53 1.87 -0.20 2.79 2.00 -1.26 -2.79 119.66 123.59 1t3o s GLN 13 Ca 0.03 -1.97 0.02 0.00 -2.00 0.00 0.00 55.36 51.43 1t3o s GLN 13 Cb -0.17 -3.45 0.03 0.00 0.80 0.00 0.00 33.01 30.22 1t3o s GLN 13 CO 0.04 -1.04 -0.17 0.96 -0.50 0.00 0.00 175.29 174.58 1t3o s ILE 14 N 0.83 2.09 -1.73 -2.34 -0.00 -0.74 -4.81 121.20 114.49 1t3o s ILE 14 Ca 0.11 -1.15 0.00 0.00 -0.00 0.00 0.00 60.65 59.60 1t3o s ILE 14 Cb -0.21 -1.99 0.00 0.00 -0.00 0.00 0.00 42.46 40.26 1t3o s ILE 14 CO -0.05 0.36 0.00 0.61 -0.00 0.00 0.00 174.94 175.86 1t3o n GLY 15 N 4.56 1.55 3.12 6.27 0.00 -1.26 -2.21 105.19 117.22 1t3o n GLY 15 Ca -0.19 0.00 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 1.27 0.00 -0.04 4.61 0.00 -1.26 -4.77 120.51 120.31 1t3o n ALA 16 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 1t3o n ALA 16 Cb 0.64 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.54 1.77 -3.93 0.00 2.03 -0.94 -4.89 116.55 110.05 1t3o n ASP 17 Ca 0.00 0.14 -0.27 0.00 0.52 0.00 0.00 54.79 55.18 1t3o n ASP 17 Cb 0.27 -0.51 -0.17 0.00 -0.72 0.00 0.00 41.12 40.00 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 -2.55 1.09 -0.12 5.18 -1.09 -1.16 -5.06 121.20 117.48 1t3o s ILE 18 Ca -0.22 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 57.83 1t3o s ILE 18 Cb 0.07 -1.09 0.05 0.00 -1.58 0.00 0.00 42.46 39.92 1t3o s ILE 18 CO 0.74 0.38 0.11 -1.83 -1.23 0.00 0.00 174.94 173.10 1t3o s GLU 19 N 1.61 0.03 -0.27 2.79 -1.05 -1.25 -1.80 118.70 118.75 1t3o s GLU 19 Ca 0.04 0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.74 1t3o s GLU 19 Cb -0.13 -1.13 0.18 0.00 -0.44 0.00 0.00 34.13 32.62 1t3o s GLU 19 CO -0.08 -0.51 1.33 0.54 0.95 0.00 0.00 175.26 177.49 1t3o s VAL 20 N 2.19 0.00 -0.34 1.83 0.11 -1.12 -5.00 120.40 118.07 1t3o s VAL 20 Ca 0.04 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1t3o s VAL 20 Cb -0.14 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.82 1t3o s VAL 20 CO -0.07 0.00 0.14 -1.59 -3.33 0.00 0.00 175.10 170.25 1t3o s LYS 21 N -1.11 0.79 -0.37 1.54 0.00 -1.26 -3.12 119.74 116.21 1t3o s LYS 21 Ca 0.08 -1.27 -0.08 0.00 0.00 0.00 0.00 55.97 54.69 1t3o s LYS 21 Cb -0.01 -1.96 0.05 0.00 0.00 0.00 0.00 37.83 35.92 1t3o s LYS 21 CO -0.07 -1.05 0.18 0.14 0.00 0.00 0.00 175.35 174.56 1t3o s VAL 22 N 1.31 4.13 -0.02 1.79 -7.23 -1.24 -4.92 120.40 114.23 1t3o s VAL 22 Ca 0.12 -1.16 -0.23 0.00 -1.81 0.00 0.00 61.98 58.90 1t3o s VAL 22 Cb -0.19 -3.40 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 1t3o s VAL 22 CO -0.18 -0.31 0.69 -0.63 -0.31 0.00 0.00 175.10 174.36 1t3o s ILE 23 N 1.45 4.93 0.29 -0.62 1.01 -1.26 -0.40 121.20 126.59 1t3o s ILE 23 Ca 0.01 1.44 0.05 0.00 0.00 0.00 0.00 60.65 62.15 1t3o s ILE 23 Cb -0.21 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 1t3o s ILE 23 CO 0.04 0.32 -0.01 0.00 0.00 0.00 0.00 174.94 175.29 1t3o s ALA 24 N 0.33 2.27 -0.27 9.38 0.00 0.66 -4.97 121.76 129.16 1t3o s ALA 24 Ca 0.36 -1.94 -0.19 0.00 0.00 0.00 0.00 51.96 50.19 1t3o s ALA 24 Cb -0.19 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1t3o s ALA 24 CO 0.19 -0.18 0.57 0.08 0.00 0.00 0.00 175.76 176.42 1t3o s VAL 25 N -3.17 5.02 -0.50 0.00 1.01 -1.26 -3.33 120.40 118.17 1t3o s VAL 25 Ca 0.32 0.92 0.15 0.00 0.00 0.00 0.00 61.98 63.37 1t3o s VAL 25 Cb 0.06 -3.90 0.80 0.00 0.00 0.00 0.00 36.38 33.35 1t3o s VAL 25 CO 0.13 0.01 1.73 1.21 0.00 0.00 0.00 175.10 178.17 1t3o n GLU 26 N 5.66 4.62 0.00 2.72 4.07 -0.69 -4.99 120.64 132.04 1t3o n GLU 26 Ca -0.03 -3.10 0.00 0.00 -0.06 0.00 0.00 57.16 53.97 1t3o n GLU 26 Cb 0.49 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.70 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 0.78 2.17 1.49 8.31 0.00 -1.26 -3.86 105.19 112.83 1t3o n GLY 27 Ca 0.28 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 5.13 3.49 -3.66 1.61 8.00 -1.26 -4.97 116.55 124.89 1t3o n ASP 28 Ca 0.00 -3.79 -0.15 0.00 0.71 0.00 0.00 54.79 51.56 1t3o n ASP 28 Cb 0.00 -0.63 -0.07 0.00 -0.02 0.00 0.00 41.12 40.39 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 -3.38 0.83 -0.21 -1.24 0.74 -1.25 -5.14 119.66 110.00 1t3o s GLN 29 Ca 0.48 -0.04 -0.05 0.00 0.05 0.00 0.00 55.36 55.81 1t3o s GLN 29 Cb 0.42 0.38 -0.02 0.00 1.10 0.00 0.00 33.01 34.89 1t3o s GLN 29 CO 0.01 -0.25 0.00 0.08 -0.55 0.00 0.00 175.29 174.58 1t3o s VAL 30 N -1.35 3.92 0.03 1.34 1.01 -1.26 -1.70 120.40 122.39 1t3o s VAL 30 Ca -0.12 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1t3o s VAL 30 Cb -0.03 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1t3o s VAL 30 CO 0.06 0.42 -0.06 -1.59 0.00 0.00 0.00 175.10 173.93 1t3o s LYS 31 N 1.14 0.42 0.37 2.72 -2.85 -1.21 -2.68 119.74 117.65 1t3o s LYS 31 Ca 0.03 -0.62 0.07 0.00 -1.00 0.00 0.00 55.97 54.44 1t3o s LYS 31 Cb -0.14 -0.16 -0.01 0.00 -2.06 0.00 0.00 37.83 35.46 1t3o s LYS 31 CO 0.01 0.02 0.45 -0.48 0.10 0.00 0.00 175.35 175.45 1t3o s LEU 32 N -1.34 3.73 0.11 2.77 0.05 -0.59 -0.24 118.68 123.16 1t3o s LEU 32 Ca -0.10 -0.39 0.07 0.00 0.05 0.00 0.00 54.13 53.76 1t3o s LEU 32 Cb -0.09 -2.53 -0.03 0.00 -2.05 0.00 0.00 46.19 41.49 1t3o s LEU 32 CO -0.00 -0.54 -0.18 -0.83 -0.55 0.00 0.00 176.35 174.25 1t3o s GLY 33 N -4.18 1.15 -0.25 -3.48 0.00 0.46 0.13 107.32 101.15 1t3o s GLY 33 Ca 0.47 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 43.85 1t3o s GLY 33 CO 0.30 -1.25 0.23 -0.26 0.00 0.00 0.00 173.10 172.13 1t3o s ILE 34 N -1.45 5.30 -0.21 0.90 -4.36 0.11 -3.64 121.20 117.84 1t3o s ILE 34 Ca 0.06 0.31 -0.07 0.00 -0.26 0.00 0.00 60.65 60.70 1t3o s ILE 34 Cb -0.09 -3.57 -0.03 0.00 1.25 0.00 0.00 42.46 40.02 1t3o s ILE 34 CO 0.04 0.28 0.05 1.51 0.24 0.00 0.00 174.94 177.06 1t3o s ASP 35 N 1.32 5.20 0.01 4.36 -4.77 -1.26 -0.63 116.67 120.90 1t3o s ASP 35 Ca 0.10 -0.12 0.01 0.00 -3.30 0.00 0.00 52.55 49.25 1t3o s ASP 35 Cb -0.15 -1.91 -0.01 0.00 -1.09 0.00 0.00 42.92 39.77 1t3o s ASP 35 CO 0.07 0.06 -0.05 0.00 0.70 0.00 0.00 175.17 175.95 1t3o s ALA 36 N 1.06 0.37 0.00 2.11 0.00 -0.64 -4.96 121.76 119.70 1t3o s ALA 36 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1t3o s ALA 36 Cb -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1t3o s ALA 36 CO 0.03 0.03 1.06 -0.35 0.00 0.00 0.00 175.76 176.53 1t3o n PRO 37 N 2.47 0.71 -1.53 0.00 -0.04 -1.26 -0.79 135.00 134.56 1t3o n PRO 37 Ca -0.16 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.15 1t3o n PRO 37 Cb 0.57 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.83 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 1.13 -1.07 -0.37 0.54 4.76 -1.20 -4.62 118.16 117.33 1t3o n LYS 38 Ca 0.00 1.00 -0.30 0.00 -2.87 0.00 0.00 58.31 56.14 1t3o n LYS 38 Cb 0.36 -5.16 0.29 0.00 -1.84 0.00 0.00 35.03 28.67 1t3o n LYS 38 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1t3o s HIS 39 N -2.58 -0.46 0.45 2.13 -3.43 -1.26 -5.01 115.29 105.13 1t3o s HIS 39 Ca 0.00 0.64 -0.21 0.00 -0.80 0.00 0.00 55.06 54.69 1t3o s HIS 39 Cb 0.00 -2.91 -0.10 0.00 -1.43 0.00 0.00 32.58 28.14 1t3o s HIS 39 CO 0.00 -4.92 0.97 0.96 -2.00 0.00 0.00 174.74 169.75 1t3o s ILE 40 N -2.28 4.24 -0.29 -5.38 -0.00 -1.26 -5.02 121.20 111.22 1t3o s ILE 40 Ca 0.69 1.39 -0.14 0.00 -0.00 0.00 0.00 60.65 62.58 1t3o s ILE 40 Cb -0.15 -3.57 -0.03 0.00 -0.00 0.00 0.00 42.46 38.71 1t3o s ILE 40 CO 0.59 -0.31 0.34 1.51 -0.00 0.00 0.00 174.94 177.06 1t3o s ASP 41 N -2.16 6.19 0.40 4.36 -4.77 -1.26 -5.05 116.67 114.38 1t3o s ASP 41 Ca 0.63 0.13 -0.23 0.00 -3.30 0.00 0.00 52.55 49.78 1t3o s ASP 41 Cb -0.11 -2.19 -0.10 0.00 -1.09 0.00 0.00 42.92 39.43 1t3o s ASP 41 CO 0.15 -0.19 0.97 -0.63 0.70 0.00 0.00 175.17 176.17 1t3o s ILE 42 N 2.01 4.19 0.15 2.11 -1.09 -1.26 -5.07 121.20 122.24 1t3o s ILE 42 Ca 0.13 1.53 -0.00 0.00 -2.23 0.00 0.00 60.65 60.08 1t3o s ILE 42 Cb -0.16 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1t3o s ILE 42 CO 0.11 -0.13 0.05 -1.00 -1.23 0.00 0.00 174.94 172.74 1t3o s HIS 43 N -1.92 1.01 -0.10 3.97 3.76 -1.26 -4.69 115.29 116.05 1t3o s HIS 43 Ca 0.58 -1.20 -0.07 0.00 -0.15 0.00 0.00 55.06 54.22 1t3o s HIS 43 Cb -0.14 -0.56 -0.02 0.00 1.11 0.00 0.00 32.58 32.96 1t3o s HIS 43 CO 0.19 -0.45 -0.14 -2.13 -0.85 0.00 0.00 174.74 171.36 1t3o n ARG 44 N -0.16 0.31 0.09 1.40 3.00 -1.26 -4.94 116.66 115.09 1t3o n ARG 44 Ca -0.05 0.38 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1t3o n ARG 44 Cb 0.64 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.77 1t3o n ARG 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1t3o n LYS 45 N -3.82 0.00 -3.19 -0.14 0.00 -1.26 -5.07 118.16 104.68 1t3o n LYS 45 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.05 1t3o n LYS 45 Cb 0.21 -0.25 0.01 0.00 0.00 0.00 0.00 35.03 34.99 1t3o n LYS 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1t3o s GLU 46 N -2.00 3.02 -0.09 1.64 2.56 -1.26 -5.03 118.70 117.54 1t3o s GLU 46 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 54.97 53.83 1t3o s GLU 46 Cb 0.00 -2.70 -0.05 0.00 2.00 0.00 0.00 34.13 33.38 1t3o s GLU 46 CO 0.00 -0.15 1.66 0.96 -0.56 0.00 0.00 175.26 177.17 1t3o s ILE 47 N -2.37 3.59 -1.32 -3.70 -4.36 -1.26 -4.81 121.20 106.97 1t3o s ILE 47 Ca 0.48 0.70 0.25 0.00 -0.26 0.00 0.00 60.65 61.82 1t3o s ILE 47 Cb -0.10 -3.49 0.07 0.00 1.25 0.00 0.00 42.46 40.19 1t3o s ILE 47 CO 0.34 -0.10 1.39 0.00 0.24 0.00 0.00 174.94 176.81 1t3o n TYR 48 N 7.50 0.00 0.00 1.37 0.18 -1.26 -4.62 117.16 120.33 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 0.43 -0.16 0.00 0.00 -0.38 0.00 0.00 39.34 39.23 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 -1.12 0.29 0.00 -3.48 4.77 -1.26 -4.87 117.00 111.33 1t3o n LEU 49 Ca 0.08 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1t3o n LEU 49 Cb 0.35 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1t3o n LEU 49 CO 0.32 -0.22 0.00 0.41 -1.33 0.00 0.00 177.39 176.58 1t3o n THR 50 N -1.80 0.00 0.00 -5.08 -1.04 -1.26 -4.83 114.28 100.27 1t3o n THR 50 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1t3o n THR 50 Cb 0.00 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1t3o n THR 50 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1t3o n ILE 51 N -2.08 0.00 0.90 12.58 2.08 -1.26 -3.56 119.36 128.02 1t3o n ILE 51 Ca 0.00 0.46 0.13 0.00 0.56 0.00 0.00 62.75 63.89 1t3o n ILE 51 Cb 0.03 -1.42 0.56 0.00 -0.75 0.00 0.00 39.64 38.05 1t3o n ILE 51 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1t3o n GLN 52 N -2.17 0.00 0.10 0.38 10.64 -1.26 -2.10 117.38 122.98 1t3o n GLN 52 Ca 0.00 0.05 -0.04 0.00 -1.83 0.00 0.00 57.00 55.18 1t3o n GLN 52 Cb 0.00 -1.50 0.13 0.00 -0.86 0.00 0.00 30.24 28.01 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 0.00 0.14 -0.08 2.61 4.22 -1.93 0.66 114.58 120.21 1t3o h GLU 53 Ca 0.00 -0.10 -0.19 0.00 0.08 0.00 0.00 59.36 59.14 1t3o h GLU 53 Cb 0.45 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1t3o h GLU 53 CO 0.00 0.73 -0.76 0.93 -2.18 0.00 0.00 179.01 177.72 1t3o h GLU 54 N 0.10 0.45 0.00 1.92 4.39 -1.49 -3.43 114.58 116.51 1t3o h GLU 54 Ca -0.01 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1t3o h GLU 54 Cb 1.14 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1t3o h GLU 54 CO 0.09 1.02 0.00 -1.71 -1.16 0.00 0.00 179.01 177.25 1t3o n ASN 55 N -3.84 0.00 0.00 1.42 2.85 -0.89 -3.62 115.26 111.18 1t3o n ASN 55 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1t3o n ASN 55 Cb 0.73 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.75 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 0.03 1.20 2.85 0.23 -3.29 115.26 116.27 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 0.03 -3.16 1.20 1.85 -1.26 -4.99 116.66 110.34 1t3o n ARG 57 Ca 0.00 0.01 0.04 0.00 -1.00 0.00 0.00 57.85 56.90 1t3o n ARG 57 Cb 0.00 -0.43 -0.00 0.00 -1.05 0.00 0.00 32.46 30.98 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 -2.08 -2.50 0.37 2.89 0.00 -1.21 -5.15 121.76 114.09 1t3o s ALA 58 Ca -0.02 0.96 -0.26 0.00 0.00 0.00 0.00 51.96 52.64 1t3o s ALA 58 Cb 0.00 -2.59 -0.09 0.00 0.00 0.00 0.00 23.12 20.45 1t3o s ALA 58 CO 0.03 -1.90 1.19 0.00 0.00 0.00 0.00 175.76 175.07 1t3o s ALA 59 N 2.69 3.25 0.47 0.00 0.00 -1.24 -4.82 121.76 122.12 1t3o s ALA 59 Ca 0.12 1.02 0.24 0.00 0.00 0.00 0.00 51.96 53.34 1t3o s ALA 59 Cb -0.09 -3.40 1.43 0.00 0.00 0.00 0.00 23.12 21.06 1t3o s ALA 59 CO -0.23 -0.52 2.10 0.00 0.00 0.00 0.00 175.76 177.11 1t3o h ALA 60 N 2.92 1.48 0.52 0.00 0.00 -1.97 -1.13 119.26 121.08 1t3o h ALA 60 Ca -0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1t3o h ALA 60 Cb 1.23 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1t3o h ALA 60 CO 0.64 0.12 -0.25 -0.07 0.00 0.00 0.00 179.25 179.69 1t3o h LEU 61 N 0.00 -0.59 -0.11 0.00 4.07 -1.93 -3.23 115.31 113.52 1t3o h LEU 61 Ca -0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1t3o h LEU 61 Cb 0.23 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1t3o h LEU 61 CO 0.01 -0.19 0.00 -1.20 -1.08 0.00 0.00 178.44 175.98 1t3o n SER 62 N -5.25 0.17 -0.26 -0.43 7.64 -1.08 -2.63 113.62 111.77 1t3o n SER 62 Ca -0.10 -1.69 0.01 0.00 1.01 0.00 0.00 58.87 58.10 1t3o n SER 62 Cb 0.31 -0.02 0.04 0.00 -1.01 0.00 0.00 64.21 63.53 1t3o n SER 62 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1t3o n SER 63 N -0.56 0.68 -2.46 6.43 2.88 -0.45 -4.84 113.62 115.30 1t3o n SER 63 Ca 0.08 -2.02 -0.13 0.00 -1.33 0.00 0.00 58.87 55.47 1t3o n SER 63 Cb 0.06 -0.16 -0.01 0.00 -0.75 0.00 0.00 64.21 63.36 1t3o n SER 63 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1t3o n ASP 64 N -0.19 -3.99 -0.04 -3.46 8.00 -1.08 -4.84 116.55 110.95 1t3o n ASP 64 Ca 0.03 0.17 -0.15 0.00 0.71 0.00 0.00 54.79 55.55 1t3o n ASP 64 Cb 0.13 -3.38 -0.08 0.00 -0.02 0.00 0.00 41.12 37.76 1t3o n ASP 64 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1t3o h VAL 65 N -0.03 1.39 0.00 2.53 2.07 -1.67 -3.46 116.25 117.08 1t3o h VAL 65 Ca -0.31 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1t3o h VAL 65 Cb 1.22 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1t3o h VAL 65 CO 0.36 0.50 0.00 2.30 0.02 0.00 0.00 177.57 180.75 1t3o n ILE 66 N -4.36 0.00 0.00 4.57 -6.64 -1.26 -5.09 119.36 106.57 1t3o n ILE 66 Ca -0.08 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.90 1t3o n ILE 66 Cb 0.51 -0.05 0.00 0.00 -1.44 0.00 0.00 39.64 38.67 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 -2.46 0.00 -4.66 7.28 2.88 -1.20 -4.59 113.62 110.87 1t3o n SER 67 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1t3o n SER 67 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 3.57 -0.58 -1.46 0.00 -1.26 -3.52 121.76 117.51 1t3o s ALA 68 Ca 0.00 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 52.82 1t3o s ALA 68 Cb 0.00 -3.77 0.01 0.00 0.00 0.00 0.00 23.12 19.36 1t3o s ALA 68 CO 0.00 -1.49 0.65 1.28 0.00 0.00 0.00 175.76 176.20 1t3o n LEU 69 N 7.38 -7.28 0.14 0.00 4.77 -1.26 -4.89 117.00 115.86 1t3o n LEU 69 Ca 0.18 0.23 0.01 0.00 -0.03 0.00 0.00 56.01 56.40 1t3o n LEU 69 Cb 0.43 -3.32 0.32 0.00 -2.33 0.00 0.00 43.42 38.52 1t3o n LEU 69 CO 0.63 -1.73 0.74 0.28 -1.33 0.00 0.00 177.39 175.98 1t3o h SER 70 N 1.27 0.14 0.56 -1.43 0.02 -1.86 -2.61 113.55 109.64 1t3o h SER 70 Ca -0.02 -0.05 -0.29 0.00 -0.84 0.00 0.00 61.79 60.60 1t3o h SER 70 Cb 1.01 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.52 1t3o h SER 70 CO 0.25 0.46 -1.29 -1.28 -1.14 0.00 0.00 176.83 173.83 1t3o h SER 71 N 0.13 0.51 -4.95 3.07 0.87 -1.92 -3.48 113.55 107.78 1t3o h SER 71 Ca 0.02 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1t3o h SER 71 Cb 0.63 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 1t3o h SER 71 CO 0.05 1.43 -1.23 0.00 -0.53 0.00 0.00 176.83 176.55 1t3o n GLN 72 N -3.57 -3.86 -3.00 2.24 6.02 -0.99 -4.93 117.38 109.29 1t3o n GLN 72 Ca -0.10 3.00 -0.43 0.00 -0.01 0.00 0.00 57.00 59.46 1t3o n GLN 72 Cb 1.04 -5.03 -0.06 0.00 1.02 0.00 0.00 30.24 27.21 1t3o n GLN 72 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1t3o s LYS 73 N -1.13 3.31 0.00 -1.09 3.01 -1.26 -5.19 119.74 117.38 1t3o s LYS 73 Ca -0.14 -0.35 0.25 0.00 -1.01 0.00 0.00 55.97 54.73 1t3o s LYS 73 Cb 0.01 -4.00 0.41 0.00 -1.01 0.00 0.00 37.83 33.24 1t3o s LYS 73 CO 0.75 -1.20 1.38 1.63 0.51 0.00 0.00 175.35 178.43