#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3o s SER -8 N 0.00 2.15 0.00 0.41 0.15 -1.26 -4.96 113.70 110.20 1t3o s SER -8 Ca 0.00 -0.46 0.25 0.00 0.70 0.00 0.00 55.95 56.44 1t3o s SER -8 Cb 0.00 -0.34 0.45 0.00 -1.71 0.00 0.00 66.02 64.41 1t3o s SER -8 CO 0.00 -0.30 1.37 -1.20 1.20 0.00 0.00 173.24 174.31 1t3o n SER -7 N 5.20 1.07 0.00 5.45 7.64 -1.26 -3.61 113.62 128.12 1t3o n SER -7 Ca -0.07 -0.85 0.08 0.00 1.01 0.00 0.00 58.87 59.03 1t3o n SER -7 Cb 0.49 0.32 0.45 0.00 -1.01 0.00 0.00 64.21 64.47 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 1.41 -0.71 3.60 0.23 0.00 -1.26 -4.69 105.19 103.78 1t3o n GLY -6 Ca 0.09 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 2.00 -0.29 1.61 5.65 -1.24 -4.95 115.29 116.07 1t3o s HIS -5 Ca 0.23 0.63 -0.28 0.00 0.25 0.00 0.00 55.06 55.89 1t3o s HIS -5 Cb 0.11 -4.17 0.01 0.00 -1.18 0.00 0.00 32.58 27.35 1t3o s HIS -5 CO 0.18 -2.69 1.00 -1.50 -0.65 0.00 0.00 174.74 171.08 1t3o s ILE -4 N 6.32 4.63 0.08 0.89 1.10 -1.26 -5.02 121.20 127.94 1t3o s ILE -4 Ca 0.74 1.71 -0.24 0.00 -0.51 0.00 0.00 60.65 62.35 1t3o s ILE -4 Cb -0.20 -4.32 -0.06 0.00 0.15 0.00 0.00 42.46 38.02 1t3o s ILE -4 CO 0.33 -0.33 0.72 -1.61 -2.11 0.00 0.00 174.94 171.94 1t3o s GLU -3 N 3.35 4.45 -1.21 3.50 0.41 -1.26 -4.96 118.70 122.98 1t3o s GLU -3 Ca 0.42 1.01 -0.13 0.00 -0.41 0.00 0.00 54.97 55.86 1t3o s GLU -3 Cb -0.13 -3.31 -0.06 0.00 -1.78 0.00 0.00 34.13 28.85 1t3o s GLU -3 CO 0.12 0.44 2.32 0.41 -0.49 0.00 0.00 175.26 178.06 1t3o n GLY -2 N 2.03 3.64 3.94 -1.39 0.00 -1.26 -4.91 105.19 107.24 1t3o n GLY -2 Ca -0.05 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 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 3.41 2.86 -0.16 1.61 1.70 -1.26 -4.60 118.95 122.51 1t3o s ARG -1 Ca 0.53 -0.34 0.01 0.00 -0.47 0.00 0.00 55.73 55.46 1t3o s ARG -1 Cb 0.14 -2.41 0.02 0.00 -0.57 0.00 0.00 34.95 32.13 1t3o s ARG -1 CO -0.02 -0.57 -0.16 -3.38 -1.08 0.00 0.00 175.30 170.09 1t3o s HIS 0 N -2.80 2.32 -0.29 5.89 -3.43 -1.22 -4.95 115.29 110.81 1t3o s HIS 0 Ca 0.53 -1.32 0.01 0.00 -0.80 0.00 0.00 55.06 53.47 1t3o s HIS 0 Cb -0.10 -1.67 0.06 0.00 -1.43 0.00 0.00 32.58 29.43 1t3o s HIS 0 CO 0.41 -0.70 -0.04 1.41 -2.00 0.00 0.00 174.74 173.82 1t3o s MET 1 N 1.42 2.27 -0.05 -0.38 0.00 -1.26 -2.97 119.30 118.34 1t3o s MET 1 Ca 0.05 -1.36 -0.03 0.00 0.00 0.00 0.00 55.69 54.34 1t3o s MET 1 Cb -0.13 -3.07 -0.04 0.00 0.00 0.00 0.00 34.83 31.59 1t3o s MET 1 CO -0.11 -0.63 0.12 -1.17 0.00 0.00 0.00 175.02 173.23 1t3o s LEU 2 N 1.16 4.16 -0.22 4.11 1.98 -0.83 -4.92 118.68 124.11 1t3o s LEU 2 Ca -0.05 0.30 -0.07 0.00 -2.89 0.00 0.00 54.13 51.42 1t3o s LEU 2 Cb -0.20 -2.28 -0.03 0.00 0.66 0.00 0.00 46.19 44.34 1t3o s LEU 2 CO -0.03 0.32 0.06 0.68 -1.89 0.00 0.00 176.35 175.49 1t3o s VAL 3 N -1.16 4.48 -0.11 1.68 -7.23 -1.26 -0.74 120.40 116.06 1t3o s VAL 3 Ca 0.21 -0.13 -0.01 0.00 -1.81 0.00 0.00 61.98 60.24 1t3o s VAL 3 Cb -0.12 -3.06 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 1t3o s VAL 3 CO 0.11 0.39 -0.06 -0.22 -0.31 0.00 0.00 175.10 175.01 1t3o s LEU 4 N 1.08 3.16 -0.58 1.32 0.20 0.22 -4.59 118.68 119.50 1t3o s LEU 4 Ca 0.04 -0.09 -0.23 0.00 0.69 0.00 0.00 54.13 54.55 1t3o s LEU 4 Cb -0.14 -1.72 0.05 0.00 -0.43 0.00 0.00 46.19 43.95 1t3o s LEU 4 CO 0.03 0.27 0.90 -0.44 -0.29 0.00 0.00 176.35 176.83 1t3o s SER 5 N -0.28 6.27 -0.09 3.68 0.01 -1.26 -0.19 113.70 121.84 1t3o s SER 5 Ca 0.04 -0.63 -0.03 0.00 1.31 0.00 0.00 55.95 56.64 1t3o s SER 5 Cb -0.13 -2.41 0.04 0.00 0.21 0.00 0.00 66.02 63.74 1t3o s SER 5 CO 0.02 -1.24 0.07 -0.60 0.41 0.00 0.00 173.24 171.90 1t3o s ARG 6 N 3.79 -0.02 -0.29 12.44 6.06 -1.05 -4.94 118.95 134.94 1t3o s ARG 6 Ca 0.26 0.21 0.07 0.00 -2.50 0.00 0.00 55.73 53.77 1t3o s ARG 6 Cb -0.15 -0.98 0.62 0.00 0.06 0.00 0.00 34.95 34.50 1t3o s ARG 6 CO 0.15 -0.45 1.66 1.63 -2.50 0.00 0.00 175.30 175.79 1t3o n LYS 7 N 5.29 3.11 -0.00 5.12 4.01 -1.20 -3.52 118.16 130.97 1t3o n LYS 7 Ca -0.04 -2.57 0.09 0.00 -0.51 0.00 0.00 58.31 55.28 1t3o n LYS 7 Cb 0.50 -2.06 -0.11 0.00 -0.51 0.00 0.00 35.03 32.85 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 -0.21 0.00 -4.18 -0.18 2.08 -1.26 -4.97 119.36 110.64 1t3o n ILE 8 Ca 0.37 -0.11 -0.31 0.00 0.56 0.00 0.00 62.75 63.26 1t3o n ILE 8 Cb 1.27 0.90 -0.09 0.00 -0.75 0.00 0.00 39.64 40.98 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 -1.52 0.13 -2.21 4.38 6.94 -1.23 -4.94 115.26 116.82 1t3o n ASN 9 Ca 0.03 -1.15 -0.01 0.00 -0.02 0.00 0.00 54.58 53.42 1t3o n ASN 9 Cb 0.31 -1.44 0.01 0.00 -2.36 0.00 0.00 39.78 36.29 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 -4.10 0.90 -4.45 -3.83 0.28 -1.26 -5.12 120.64 103.06 1t3o n GLU 10 Ca -0.18 -0.22 -0.33 0.00 -0.16 0.00 0.00 57.16 56.26 1t3o n GLU 10 Cb 0.57 -0.02 -0.10 0.00 1.43 0.00 0.00 31.44 33.31 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 -2.19 3.13 -0.38 -1.84 0.00 -1.26 -4.68 121.76 114.55 1t3o s ALA 11 Ca 0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 1t3o s ALA 11 Cb -0.00 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.86 1t3o s ALA 11 CO 0.03 0.60 0.20 0.42 0.00 0.00 0.00 175.76 177.01 1t3o s ILE 12 N -0.93 4.44 -0.40 0.00 -1.09 -1.18 -4.94 121.20 117.10 1t3o s ILE 12 Ca 0.15 -0.96 -0.07 0.00 -2.23 0.00 0.00 60.65 57.54 1t3o s ILE 12 Cb -0.11 -3.51 0.08 0.00 -1.58 0.00 0.00 42.46 37.34 1t3o s ILE 12 CO 0.05 -0.26 0.22 -1.58 -1.23 0.00 0.00 174.94 172.14 1t3o s GLN 13 N 1.52 2.48 -0.25 2.79 2.00 -1.26 -2.51 119.66 124.44 1t3o s GLN 13 Ca 0.01 -1.49 -0.03 0.00 -2.00 0.00 0.00 55.36 51.85 1t3o s GLN 13 Cb -0.20 -3.68 0.02 0.00 0.80 0.00 0.00 33.01 29.95 1t3o s GLN 13 CO 0.06 -0.93 -0.04 0.96 -0.50 0.00 0.00 175.29 174.84 1t3o s ILE 14 N 1.36 3.12 0.00 -2.34 -0.00 0.14 -4.87 121.20 118.61 1t3o s ILE 14 Ca 0.03 -0.86 0.00 0.00 -0.00 0.00 0.00 60.65 59.81 1t3o s ILE 14 Cb -0.23 -2.55 0.00 0.00 -0.00 0.00 0.00 42.46 39.68 1t3o s ILE 14 CO 0.01 0.23 0.00 0.61 -0.00 0.00 0.00 174.94 175.79 1t3o n GLY 15 N 4.72 2.23 0.00 6.27 0.00 -1.26 -3.22 105.19 113.94 1t3o n GLY 15 Ca -0.17 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.03 0.00 0.12 4.61 0.00 -1.26 -4.98 120.51 119.04 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 0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 0.00 -3.74 0.00 5.19 -1.95 -3.41 116.42 112.52 1t3o h ASP 17 Ca 0.00 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.77 1t3o h ASP 17 Cb 0.00 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 39.13 1t3o h ASP 17 CO 0.00 0.68 -0.79 -0.63 -3.12 0.00 0.00 179.24 175.38 1t3o s ILE 18 N -3.42 1.85 -0.08 0.35 -1.09 -1.20 -5.06 121.20 112.55 1t3o s ILE 18 Ca -0.01 -1.47 -0.02 0.00 -2.23 0.00 0.00 60.65 56.92 1t3o s ILE 18 Cb 0.12 -2.06 0.03 0.00 -1.58 0.00 0.00 42.46 38.97 1t3o s ILE 18 CO 0.77 -0.11 0.02 -0.70 -1.23 0.00 0.00 174.94 173.69 1t3o s GLU 19 N 1.24 0.44 -0.24 2.79 2.12 -1.24 -0.68 118.70 123.12 1t3o s GLU 19 Ca -0.06 0.12 -0.27 0.00 0.36 0.00 0.00 54.97 55.12 1t3o s GLU 19 Cb -0.19 -1.00 0.13 0.00 0.26 0.00 0.00 34.13 33.34 1t3o s GLU 19 CO -0.06 -0.35 1.08 0.54 -0.54 0.00 0.00 175.26 175.93 1t3o s VAL 20 N 2.01 0.00 -0.28 3.70 0.11 -1.04 -4.96 120.40 119.94 1t3o s VAL 20 Ca 0.04 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 1t3o s VAL 20 Cb -0.13 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.81 1t3o s VAL 20 CO -0.05 0.00 0.07 -1.59 -3.33 0.00 0.00 175.10 170.20 1t3o s LYS 21 N -0.34 0.76 -0.40 1.54 0.00 -1.26 -3.11 119.74 116.93 1t3o s LYS 21 Ca 0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 55.97 54.96 1t3o s LYS 21 Cb -0.03 -2.04 0.06 0.00 0.00 0.00 0.00 37.83 35.81 1t3o s LYS 21 CO -0.04 -0.89 0.24 0.08 0.00 0.00 0.00 175.35 174.74 1t3o s VAL 22 N 1.66 4.40 -0.17 1.79 1.01 -1.08 -4.89 120.40 123.13 1t3o s VAL 22 Ca 0.06 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.68 1t3o s VAL 22 Cb -0.17 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1t3o s VAL 22 CO -0.21 -0.40 0.54 -0.63 0.00 0.00 0.00 175.10 174.41 1t3o s ILE 23 N 1.49 5.11 0.20 2.22 1.01 -1.26 0.84 121.20 130.81 1t3o s ILE 23 Ca 0.02 1.04 0.02 0.00 0.00 0.00 0.00 60.65 61.73 1t3o s ILE 23 Cb -0.22 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1t3o s ILE 23 CO 0.04 0.21 0.02 0.00 0.00 0.00 0.00 174.94 175.22 1t3o s ALA 24 N 1.33 1.49 -0.13 9.38 0.00 -0.26 -5.00 121.76 128.58 1t3o s ALA 24 Ca 0.27 -1.68 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 1t3o s ALA 24 Cb -0.16 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1t3o s ALA 24 CO 0.11 -0.34 0.50 0.14 0.00 0.00 0.00 175.76 176.16 1t3o s VAL 25 N -3.65 5.16 -0.52 0.00 -7.23 -1.26 -2.67 120.40 110.23 1t3o s VAL 25 Ca 0.28 0.98 0.04 0.00 -1.81 0.00 0.00 61.98 61.46 1t3o s VAL 25 Cb 0.06 -3.83 0.29 0.00 0.56 0.00 0.00 36.38 33.46 1t3o s VAL 25 CO 0.07 0.29 1.11 1.21 -0.31 0.00 0.00 175.10 177.46 1t3o n GLU 26 N 3.92 2.12 0.00 4.82 4.07 0.68 -4.91 120.64 131.34 1t3o n GLU 26 Ca -0.06 -1.17 0.00 0.00 -0.06 0.00 0.00 57.16 55.86 1t3o n GLU 26 Cb 0.51 -1.67 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 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 0.11 1.75 0.00 8.31 0.00 -1.26 -3.53 105.19 110.58 1t3o n GLY 27 Ca 0.15 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1t3o n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t3o n ASP 28 N 3.35 1.09 -4.48 1.61 2.03 -1.26 -5.00 116.55 113.88 1t3o n ASP 28 Ca 0.00 -0.49 -0.25 0.00 0.52 0.00 0.00 54.79 54.57 1t3o n ASP 28 Cb 0.00 1.26 -0.10 0.00 -0.72 0.00 0.00 41.12 41.56 1t3o n ASP 28 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1t3o s GLN 29 N -2.58 1.74 -0.24 -0.67 0.74 -1.23 -5.12 119.66 112.30 1t3o s GLN 29 Ca 0.01 -1.61 -0.08 0.00 0.05 0.00 0.00 55.36 53.73 1t3o s GLN 29 Cb 0.10 -1.87 -0.04 0.00 1.10 0.00 0.00 33.01 32.30 1t3o s GLN 29 CO 0.58 0.36 0.10 0.08 -0.55 0.00 0.00 175.29 175.86 1t3o s VAL 30 N -2.16 4.70 0.04 1.34 1.01 -1.26 -0.23 120.40 123.84 1t3o s VAL 30 Ca 0.27 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1t3o s VAL 30 Cb -0.06 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1t3o s VAL 30 CO 0.14 0.35 -0.08 -1.59 0.00 0.00 0.00 175.10 173.92 1t3o s LYS 31 N 1.32 0.53 0.33 2.72 -2.85 -1.09 -2.52 119.74 118.19 1t3o s LYS 31 Ca 0.06 -0.70 0.07 0.00 -1.00 0.00 0.00 55.97 54.40 1t3o s LYS 31 Cb -0.15 -0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 35.27 1t3o s LYS 31 CO 0.05 0.06 0.28 -0.48 0.10 0.00 0.00 175.35 175.36 1t3o s LEU 32 N -1.43 3.61 -0.03 2.77 0.05 0.73 -1.10 118.68 123.28 1t3o s LEU 32 Ca -0.08 -0.48 0.03 0.00 0.05 0.00 0.00 54.13 53.65 1t3o s LEU 32 Cb -0.09 -2.22 -0.00 0.00 -2.05 0.00 0.00 46.19 41.83 1t3o s LEU 32 CO 0.00 -0.32 -0.13 -0.83 -0.55 0.00 0.00 176.35 174.52 1t3o s GLY 33 N -3.98 0.73 -0.46 -3.48 0.00 0.25 0.72 107.32 101.09 1t3o s GLY 33 Ca 0.40 -0.52 -0.21 0.00 0.00 0.00 0.00 44.72 44.39 1t3o s GLY 33 CO 0.26 -0.24 0.70 -0.26 0.00 0.00 0.00 173.10 173.56 1t3o s ILE 34 N 0.09 4.75 -0.07 0.90 -0.00 0.08 -2.63 121.20 124.31 1t3o s ILE 34 Ca -0.03 0.09 0.05 0.00 -0.00 0.00 0.00 60.65 60.76 1t3o s ILE 34 Cb -0.10 -4.28 -0.00 0.00 -0.00 0.00 0.00 42.46 38.08 1t3o s ILE 34 CO 0.01 -0.72 -0.22 -0.62 -0.00 0.00 0.00 174.94 173.40 1t3o s ASP 35 N 2.24 2.79 0.05 4.36 2.15 -1.26 -1.97 116.67 125.02 1t3o s ASP 35 Ca 0.24 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.74 1t3o s ASP 35 Cb -0.14 -0.99 -0.03 0.00 -0.30 0.00 0.00 42.92 41.46 1t3o s ASP 35 CO 0.19 0.18 -0.04 0.00 -0.17 0.00 0.00 175.17 175.32 1t3o s ALA 36 N 0.12 0.48 0.00 3.66 0.00 -1.16 -5.02 121.76 119.85 1t3o s ALA 36 Ca -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1t3o s ALA 36 Cb -0.15 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1t3o s ALA 36 CO 0.05 -0.24 0.50 -0.35 0.00 0.00 0.00 175.76 175.73 1t3o n PRO 37 N 0.71 0.37 -2.73 0.00 -0.04 -1.26 -3.42 135.00 128.63 1t3o n PRO 37 Ca -0.18 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1t3o n PRO 37 Cb 0.58 -1.31 0.02 0.00 -0.04 0.00 0.00 33.50 32.75 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 1.17 -3.33 0.00 0.54 3.00 -1.26 -4.91 118.16 113.37 1t3o n LYS 38 Ca 0.00 0.80 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 1t3o n LYS 38 Cb 0.19 -5.34 0.00 0.00 0.00 0.00 0.00 35.03 29.88 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 -4.23 -1.15 -3.85 5.64 1.44 -1.26 -5.05 115.22 106.76 1t3o n HIS 39 Ca -0.13 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.31 1t3o n HIS 39 Cb 0.62 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.70 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 -0.24 5.28 -0.43 0.61 -0.00 -1.26 -5.06 121.20 120.10 1t3o s ILE 40 Ca 0.00 -0.54 -0.20 0.00 -0.00 0.00 0.00 60.65 59.91 1t3o s ILE 40 Cb 0.00 -3.73 0.02 0.00 -0.00 0.00 0.00 42.46 38.75 1t3o s ILE 40 CO 0.00 -0.10 0.62 1.51 -0.00 0.00 0.00 174.94 176.96 1t3o s ASP 41 N -3.15 6.31 0.18 4.36 -4.77 -1.26 -5.04 116.67 113.31 1t3o s ASP 41 Ca 0.36 -0.35 -0.17 0.00 -3.30 0.00 0.00 52.55 49.10 1t3o s ASP 41 Cb -0.11 -2.31 -0.08 0.00 -1.09 0.00 0.00 42.92 39.34 1t3o s ASP 41 CO 0.29 -0.74 0.63 -0.63 0.70 0.00 0.00 175.17 175.41 1t3o s ILE 42 N 2.73 4.73 0.17 2.11 -1.09 -1.26 -5.09 121.20 123.49 1t3o s ILE 42 Ca 0.21 1.03 0.02 0.00 -2.23 0.00 0.00 60.65 59.68 1t3o s ILE 42 Cb -0.14 -3.79 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 1t3o s ILE 42 CO 0.18 0.22 -0.00 -1.00 -1.23 0.00 0.00 174.94 173.11 1t3o s HIS 43 N -1.50 1.18 -0.30 3.97 3.76 -1.26 -4.78 115.29 116.36 1t3o s HIS 43 Ca 0.40 -1.01 -0.02 0.00 -0.15 0.00 0.00 55.06 54.28 1t3o s HIS 43 Cb -0.16 -0.67 0.12 0.00 1.11 0.00 0.00 32.58 32.98 1t3o s HIS 43 CO 0.20 -0.21 0.19 1.03 -0.85 0.00 0.00 174.74 175.10 1t3o s ARG 44 N -3.91 0.30 -0.23 1.40 0.52 -1.26 -4.97 118.95 110.80 1t3o s ARG 44 Ca 0.23 -0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 54.80 1t3o s ARG 44 Cb 0.06 -1.05 0.02 0.00 0.52 0.00 0.00 34.95 34.50 1t3o s ARG 44 CO 0.03 -1.06 0.09 1.17 0.02 0.00 0.00 175.30 175.55 1t3o n LYS 45 N 5.02 -3.58 -0.80 3.54 4.81 -1.26 -4.81 118.16 121.09 1t3o n LYS 45 Ca -0.01 2.83 0.11 0.00 -0.87 0.00 0.00 58.31 60.36 1t3o n LYS 45 Cb 0.42 -4.85 -0.03 0.00 0.02 0.00 0.00 35.03 30.60 1t3o n LYS 45 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1t3o n GLU 46 N 1.00 -1.62 -3.22 1.64 -0.58 -1.26 -4.74 120.64 111.87 1t3o n GLU 46 Ca -0.16 1.07 -0.41 0.00 -0.42 0.00 0.00 57.16 57.25 1t3o n GLU 46 Cb 0.24 -1.97 -0.08 0.00 -0.57 0.00 0.00 31.44 29.07 1t3o n GLU 46 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1t3o s ILE 47 N -1.73 5.02 -1.51 -3.67 -4.36 -1.26 -4.79 121.20 108.90 1t3o s ILE 47 Ca 0.00 0.62 0.26 0.00 -0.26 0.00 0.00 60.65 61.27 1t3o s ILE 47 Cb 0.00 -3.92 0.16 0.00 1.25 0.00 0.00 42.46 39.96 1t3o s ILE 47 CO 0.00 -0.09 1.48 0.00 0.24 0.00 0.00 174.94 176.57 1t3o n TYR 48 N 5.70 0.00 0.00 1.37 0.18 -1.26 -4.62 117.16 118.53 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 0.49 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 39.30 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 -0.91 0.00 0.00 -3.48 4.77 -1.26 -4.89 117.00 111.23 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 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1t3o n LEU 49 CO 0.29 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.76 1t3o n THR 50 N -1.36 0.00 0.48 -5.08 -1.04 -1.26 -4.66 114.28 101.35 1t3o n THR 50 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1t3o n THR 50 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 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 0.53 117.51 130.67 1t3o h ILE 51 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 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 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1t3o n GLN 52 N -5.35 1.31 0.01 2.37 10.64 -1.26 -2.30 117.38 122.79 1t3o n GLN 52 Ca -0.15 -0.45 -0.16 0.00 -1.83 0.00 0.00 57.00 54.41 1t3o n GLN 52 Cb 0.48 -1.49 -0.14 0.00 -0.86 0.00 0.00 30.24 28.23 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 1.10 0.16 -0.47 2.61 4.22 -1.82 0.13 114.58 120.51 1t3o h GLU 53 Ca 0.00 -0.28 0.08 0.00 0.08 0.00 0.00 59.36 59.24 1t3o h GLU 53 Cb 0.23 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1t3o h GLU 53 CO 0.00 0.92 0.10 0.93 -2.18 0.00 0.00 179.01 178.78 1t3o h GLU 54 N 0.04 0.23 0.00 1.92 4.39 0.17 -3.42 114.58 117.92 1t3o h GLU 54 Ca -0.33 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1t3o h GLU 54 Cb 2.02 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 1t3o h GLU 54 CO 0.10 0.16 0.00 -1.71 -1.16 0.00 0.00 179.01 176.40 1t3o n ASN 55 N -5.10 0.00 0.00 1.42 2.85 -0.97 -4.35 115.26 109.11 1t3o n ASN 55 Ca 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1t3o n ASN 55 Cb 0.22 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.24 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 5.15 0.47 -3.69 115.26 118.38 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 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 0.00 0.00 0.00 1.20 1.85 -1.26 -4.72 116.66 113.73 1t3o n ARG 57 Ca 0.00 0.43 0.00 0.00 -1.00 0.00 0.00 57.85 57.28 1t3o n ARG 57 Cb 0.00 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 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 -1.79 0.00 -2.75 2.89 0.00 -1.24 -5.00 120.51 112.62 1t3o n ALA 58 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1t3o n ALA 58 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 3.40 0.00 0.00 0.00 -1.26 -5.00 121.76 118.90 1t3o s ALA 59 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1t3o s ALA 59 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1t3o s ALA 59 CO 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 175.76 175.17 1t3o n ALA 60 N 5.02 0.00 -0.04 0.00 0.00 -1.26 -4.82 120.51 119.41 1t3o n ALA 60 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 1t3o n ALA 60 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 1t3o n ALA 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1t3o h LEU 61 N 0.00 0.00 0.00 0.00 7.12 -1.95 -3.50 115.31 116.98 1t3o h LEU 61 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1t3o h LEU 61 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1t3o h LEU 61 CO 0.00 0.46 0.00 -1.20 -0.13 0.00 0.00 178.44 177.57 1t3o n SER 62 N -4.15 0.00 0.00 1.25 7.64 -1.26 -4.92 113.62 112.19 1t3o n SER 62 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1t3o n SER 62 Cb 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.99 0.42 -3.67 6.43 2.88 -1.26 -4.86 113.62 112.57 1t3o n SER 63 Ca 0.00 -0.71 -0.42 0.00 -1.33 0.00 0.00 58.87 56.42 1t3o n SER 63 Cb 0.00 0.51 -0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.51 4.50 0.00 -3.46 9.92 -1.26 -4.05 116.55 121.69 1t3o n ASP 64 Ca 0.00 -2.80 0.00 0.00 -0.53 0.00 0.00 54.79 51.46 1t3o n ASP 64 Cb 0.01 -1.64 0.00 0.00 -0.64 0.00 0.00 41.12 38.85 1t3o n ASP 64 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1t3o n VAL 65 N 4.91 0.00 0.00 2.53 0.31 -1.26 -4.28 118.33 120.54 1t3o n VAL 65 Ca 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.88 1t3o n VAL 65 Cb 0.37 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 -2.06 0.00 0.00 2.52 -5.35 -1.26 -4.86 119.36 108.35 1t3o n ILE 66 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1t3o n ILE 66 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1t3o n ILE 66 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1t3o n SER 67 N -2.40 0.00 -4.69 7.28 7.64 -1.26 -1.77 113.62 118.42 1t3o n SER 67 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1t3o n SER 67 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.00 3.62 0.00 -0.43 0.00 -1.26 -4.29 121.76 118.40 1t3o s ALA 68 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1t3o s ALA 68 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1t3o s ALA 68 CO 0.00 -0.08 0.00 1.28 0.00 0.00 0.00 175.76 176.96 1t3o n LEU 69 N 4.02 0.00 0.00 0.00 4.77 -1.26 -4.70 117.00 119.83 1t3o n LEU 69 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1t3o n LEU 69 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1t3o n LEU 69 CO 0.37 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.23 1t3o n SER 70 N 0.77 0.00 -3.63 -1.43 7.64 -0.73 -4.56 113.62 111.68 1t3o n SER 70 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1t3o n SER 70 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.51 6.77 -3.89 6.43 3.41 -1.26 -4.20 113.62 123.39 1t3o n SER 71 Ca 0.00 -3.08 -0.42 0.00 -0.26 0.00 0.00 58.87 55.11 1t3o n SER 71 Cb 0.00 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.52 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 2.86 3.28 -2.04 4.33 -0.00 -1.26 -4.95 117.38 119.60 1t3o n GLN 72 Ca 0.54 -3.16 -0.43 0.00 -0.00 0.00 0.00 57.00 53.95 1t3o n GLN 72 Cb 0.30 -3.11 -0.03 0.00 -0.00 0.00 0.00 30.24 27.40 1t3o n GLN 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1t3o s LYS 73 N 1.80 3.36 0.00 2.61 0.00 -1.26 -5.06 119.74 121.18 1t3o s LYS 73 Ca 0.44 1.37 0.05 0.00 0.00 0.00 0.00 55.97 57.82 1t3o s LYS 73 Cb 0.10 -4.18 0.04 0.00 0.00 0.00 0.00 37.83 33.79 1t3o s LYS 73 CO -0.03 -1.83 0.65 1.63 0.00 0.00 0.00 175.35 175.77