#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3o h SER -8 N 0.00 0.00 -3.68 0.26 0.02 -2.13 -3.47 113.55 104.55 1t3o h SER -8 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 1t3o h SER -8 Cb 0.00 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.58 1t3o h SER -8 CO 0.00 0.50 -0.53 -0.24 -1.14 0.00 0.00 176.83 175.43 1t3o n SER -7 N -3.41 -5.59 0.00 3.07 2.88 -1.26 -4.85 113.62 104.46 1t3o n SER -7 Ca 0.01 -0.20 0.09 0.00 -1.33 0.00 0.00 58.87 57.44 1t3o n SER -7 Cb 0.65 -4.47 0.56 0.00 -0.75 0.00 0.00 64.21 60.19 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 -1.34 -0.96 3.52 0.46 0.00 -1.26 -4.65 105.19 100.95 1t3o n GLY -6 Ca -0.13 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 2.80 -0.61 1.61 5.65 -1.26 -4.99 115.29 116.48 1t3o s HIS -5 Ca 0.28 -0.06 -0.24 0.00 0.25 0.00 0.00 55.06 55.29 1t3o s HIS -5 Cb 0.13 -4.06 0.05 0.00 -1.18 0.00 0.00 32.58 27.52 1t3o s HIS -5 CO 0.22 -1.36 0.98 -1.50 -0.65 0.00 0.00 174.74 172.43 1t3o s ILE -4 N 3.90 4.30 -1.38 0.89 1.10 -1.26 -4.79 121.20 123.97 1t3o s ILE -4 Ca 0.29 0.04 0.14 0.00 -0.51 0.00 0.00 60.65 60.61 1t3o s ILE -4 Cb -0.13 -4.63 0.30 0.00 0.15 0.00 0.00 42.46 38.15 1t3o s ILE -4 CO 0.18 -1.32 1.21 -1.84 -2.11 0.00 0.00 174.94 171.06 1t3o n GLU -3 N 7.73 2.24 -2.31 3.50 0.28 -1.26 -4.90 120.64 125.93 1t3o n GLU -3 Ca -0.00 -1.93 -0.39 0.00 -0.16 0.00 0.00 57.16 54.67 1t3o n GLU -3 Cb 0.47 -1.32 -0.03 0.00 1.43 0.00 0.00 31.44 31.98 1t3o n GLU -3 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1t3o s GLY -2 N -1.06 0.57 0.24 -1.84 0.00 -1.26 -4.95 107.32 99.01 1t3o s GLY -2 Ca 0.26 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.91 1t3o s GLY -2 CO 0.19 3.02 0.02 1.09 0.00 0.00 0.00 173.10 177.42 1t3o s ARG -1 N 6.33 1.36 -0.08 2.90 1.70 -1.26 -3.98 118.95 125.92 1t3o s ARG -1 Ca 0.51 -1.70 0.02 0.00 -0.47 0.00 0.00 55.73 54.09 1t3o s ARG -1 Cb -0.10 -0.55 0.01 0.00 -0.57 0.00 0.00 34.95 33.74 1t3o s ARG -1 CO 0.16 -0.14 -0.14 -3.38 -1.08 0.00 0.00 175.30 170.72 1t3o s HIS 0 N -3.48 1.73 -0.28 5.89 -3.43 -1.18 -4.93 115.29 109.60 1t3o s HIS 0 Ca 0.30 -0.72 0.00 0.00 -0.80 0.00 0.00 55.06 53.85 1t3o s HIS 0 Cb 0.06 -1.25 0.05 0.00 -1.43 0.00 0.00 32.58 30.01 1t3o s HIS 0 CO 0.10 -0.36 -0.05 1.41 -2.00 0.00 0.00 174.74 173.84 1t3o s MET 1 N 0.78 2.36 0.09 -0.38 0.00 -1.26 -3.05 119.30 117.83 1t3o s MET 1 Ca -0.12 -1.29 0.04 0.00 0.00 0.00 0.00 55.69 54.32 1t3o s MET 1 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 34.83 31.58 1t3o s MET 1 CO 0.02 -0.59 0.05 -1.17 0.00 0.00 0.00 175.02 173.33 1t3o s LEU 2 N 1.19 3.68 -0.12 4.11 1.98 -0.70 -4.90 118.68 123.93 1t3o s LEU 2 Ca -0.07 -0.08 0.01 0.00 -2.89 0.00 0.00 54.13 51.11 1t3o s LEU 2 Cb -0.20 -2.38 -0.01 0.00 0.66 0.00 0.00 46.19 44.26 1t3o s LEU 2 CO -0.03 0.17 -0.15 0.68 -1.89 0.00 0.00 176.35 175.13 1t3o s VAL 3 N -1.38 2.87 -0.17 1.68 -7.23 -1.26 -0.39 120.40 114.51 1t3o s VAL 3 Ca 0.28 -0.73 -0.03 0.00 -1.81 0.00 0.00 61.98 59.69 1t3o s VAL 3 Cb -0.12 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1t3o s VAL 3 CO 0.21 0.53 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.71 1t3o s LEU 4 N 0.31 2.99 -0.52 1.32 1.43 0.11 -4.95 118.68 119.37 1t3o s LEU 4 Ca -0.12 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.49 1t3o s LEU 4 Cb -0.16 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.38 1t3o s LEU 4 CO 0.06 0.10 0.83 -0.44 0.23 0.00 0.00 176.35 177.13 1t3o s SER 5 N 0.75 6.33 -0.14 2.29 0.01 -1.26 0.18 113.70 121.85 1t3o s SER 5 Ca -0.03 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 56.75 1t3o s SER 5 Cb -0.15 -2.39 0.07 0.00 0.21 0.00 0.00 66.02 63.76 1t3o s SER 5 CO 0.02 -1.08 0.28 -0.13 0.41 0.00 0.00 173.24 172.74 1t3o s ARG 6 N 3.49 0.17 -0.80 12.44 0.52 -1.15 -4.98 118.95 128.63 1t3o s ARG 6 Ca 0.27 0.74 -0.04 0.00 -0.52 0.00 0.00 55.73 56.18 1t3o s ARG 6 Cb -0.14 -0.06 0.15 0.00 0.52 0.00 0.00 34.95 35.42 1t3o s ARG 6 CO 0.18 -0.31 2.45 1.63 0.02 0.00 0.00 175.30 179.28 1t3o n LYS 7 N 5.35 3.35 0.00 3.54 4.76 -1.25 -3.65 118.16 130.27 1t3o n LYS 7 Ca -0.06 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.31 1t3o n LYS 7 Cb 0.50 -2.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.36 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 0.76 0.00 -4.28 -0.18 5.41 -1.26 -5.04 119.36 114.78 1t3o n ILE 8 Ca 0.53 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.90 1t3o n ILE 8 Cb 0.39 -0.33 -0.06 0.00 -0.71 0.00 0.00 39.64 38.93 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 -1.02 -2.18 0.00 4.38 6.94 -1.24 -4.94 115.26 117.21 1t3o n ASN 9 Ca 0.00 -1.04 0.00 0.00 -0.02 0.00 0.00 54.58 53.52 1t3o n ASN 9 Cb 0.17 -1.86 0.00 0.00 -2.36 0.00 0.00 39.78 35.73 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 -4.00 0.00 -3.87 -3.83 0.28 -1.26 -5.10 120.64 102.86 1t3o n GLU 10 Ca 0.10 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.99 1t3o n GLU 10 Cb 0.47 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.24 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 -3.52 -0.33 -0.36 -1.84 0.00 -1.26 -4.73 121.76 109.72 1t3o s ALA 11 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 51.96 51.69 1t3o s ALA 11 Cb 0.00 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1t3o s ALA 11 CO 0.00 -0.24 0.17 0.42 0.00 0.00 0.00 175.76 176.11 1t3o s ILE 12 N -1.68 4.28 -0.33 0.00 -1.09 -1.13 -4.92 121.20 116.33 1t3o s ILE 12 Ca -0.12 -0.97 0.03 0.00 -2.23 0.00 0.00 60.65 57.35 1t3o s ILE 12 Cb -0.06 -3.41 0.10 0.00 -1.58 0.00 0.00 42.46 37.51 1t3o s ILE 12 CO 0.00 -0.22 0.05 -1.58 -1.23 0.00 0.00 174.94 171.96 1t3o s GLN 13 N 1.50 1.36 -0.22 2.79 2.00 -1.25 -0.36 119.66 125.47 1t3o s GLN 13 Ca 0.01 -1.67 -0.02 0.00 -2.00 0.00 0.00 55.36 51.67 1t3o s GLN 13 Cb -0.19 -2.93 0.01 0.00 0.80 0.00 0.00 33.01 30.69 1t3o s GLN 13 CO 0.05 -0.93 -0.08 0.96 -0.50 0.00 0.00 175.29 174.80 1t3o s ILE 14 N 1.07 3.00 0.00 -2.34 -0.00 -0.27 -4.88 121.20 117.77 1t3o s ILE 14 Ca 0.09 -0.70 0.00 0.00 -0.00 0.00 0.00 60.65 60.04 1t3o s ILE 14 Cb -0.19 -2.38 0.00 0.00 -0.00 0.00 0.00 42.46 39.89 1t3o s ILE 14 CO -0.11 0.39 0.00 0.61 -0.00 0.00 0.00 174.94 175.83 1t3o n GLY 15 N 4.73 1.69 0.00 6.27 0.00 -1.26 -3.19 105.19 113.44 1t3o n GLY 15 Ca -0.18 0.04 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 0.05 0.00 -0.07 4.61 0.00 -1.26 -5.00 120.51 118.84 1t3o n ALA 16 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1t3o n ALA 16 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.43 -3.57 0.00 3.58 -1.88 -3.41 116.42 111.57 1t3o h ASP 17 Ca 0.00 -0.40 -0.67 0.00 0.42 0.00 0.00 57.03 56.37 1t3o h ASP 17 Cb 0.00 -0.12 -0.36 0.00 1.72 0.00 0.00 39.33 40.58 1t3o h ASP 17 CO 0.00 0.74 -0.81 -0.63 -2.88 0.00 0.00 179.24 175.66 1t3o s ILE 18 N -4.61 2.26 -0.19 2.25 -1.09 -1.21 -5.05 121.20 113.55 1t3o s ILE 18 Ca -0.14 -1.34 -0.00 0.00 -2.23 0.00 0.00 60.65 56.94 1t3o s ILE 18 Cb 0.06 -2.19 0.05 0.00 -1.58 0.00 0.00 42.46 38.80 1t3o s ILE 18 CO 0.76 0.17 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.88 1t3o s GLU 19 N 1.19 1.57 0.00 2.79 2.12 -1.23 -1.12 118.70 124.02 1t3o s GLU 19 Ca -0.03 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1t3o s GLU 19 Cb -0.17 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 31.94 1t3o s GLU 19 CO -0.07 -0.49 0.00 1.55 -0.54 0.00 0.00 175.26 175.70 1t3o n VAL 20 N 4.79 0.00 -3.71 3.70 3.14 0.51 -4.95 118.33 121.80 1t3o n VAL 20 Ca -0.12 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.96 1t3o n VAL 20 Cb 0.46 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.09 1t3o n VAL 20 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1t3o s LYS 21 N -0.80 0.66 -0.42 1.45 1.02 -1.26 -2.84 119.74 117.56 1t3o s LYS 21 Ca 0.00 -0.97 -0.14 0.00 0.02 0.00 0.00 55.97 54.88 1t3o s LYS 21 Cb 0.00 -1.91 0.04 0.00 -0.52 0.00 0.00 37.83 35.44 1t3o s LYS 21 CO 0.00 -0.96 0.30 0.14 -0.92 0.00 0.00 175.35 173.91 1t3o s VAL 22 N 1.68 5.02 -0.03 3.17 -7.23 -1.24 -4.92 120.40 116.86 1t3o s VAL 22 Ca 0.09 -0.88 -0.19 0.00 -1.81 0.00 0.00 61.98 59.19 1t3o s VAL 22 Cb -0.17 -3.88 -0.05 0.00 0.56 0.00 0.00 36.38 32.84 1t3o s VAL 22 CO -0.25 -0.39 0.55 -0.63 -0.31 0.00 0.00 175.10 174.07 1t3o s ILE 23 N 1.62 4.98 0.12 -0.62 -1.09 -1.26 -0.96 121.20 123.99 1t3o s ILE 23 Ca 0.04 1.13 0.08 0.00 -2.23 0.00 0.00 60.65 59.67 1t3o s ILE 23 Cb -0.21 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1t3o s ILE 23 CO 0.08 0.42 -0.20 0.00 -1.23 0.00 0.00 174.94 174.01 1t3o s ALA 24 N -0.16 1.85 -0.27 9.38 0.00 0.62 -4.96 121.76 128.23 1t3o s ALA 24 Ca 0.29 -1.30 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1t3o s ALA 24 Cb -0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1t3o s ALA 24 CO 0.15 0.33 0.65 0.54 0.00 0.00 0.00 175.76 177.43 1t3o s VAL 25 N -1.37 4.96 -0.42 0.00 0.11 -1.26 -2.30 120.40 120.11 1t3o s VAL 25 Ca 0.08 1.11 0.04 0.00 -2.93 0.00 0.00 61.98 60.29 1t3o s VAL 25 Cb -0.09 -3.96 0.37 0.00 -1.53 0.00 0.00 36.38 31.17 1t3o s VAL 25 CO 0.05 -0.02 1.29 1.21 -3.33 0.00 0.00 175.10 174.29 1t3o n GLU 26 N 5.78 2.28 0.00 1.54 4.07 0.20 -4.87 120.64 129.64 1t3o n GLU 26 Ca -0.00 -1.52 0.00 0.00 -0.06 0.00 0.00 57.16 55.58 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 -0.00 2.42 0.00 8.31 0.00 -1.26 -4.11 105.19 110.55 1t3o n GLY 27 Ca 0.22 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 3.25 0.26 -4.52 1.61 2.03 -1.26 -5.08 116.55 112.83 1t3o n ASP 28 Ca 0.00 -0.79 -0.29 0.00 0.52 0.00 0.00 54.79 54.22 1t3o n ASP 28 Cb 0.00 0.08 -0.11 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.08 1.89 -0.19 -0.67 0.74 -1.26 -5.11 119.66 114.97 1t3o s GLN 29 Ca 0.00 -1.15 -0.04 0.00 0.05 0.00 0.00 55.36 54.22 1t3o s GLN 29 Cb 0.00 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.93 1t3o s GLN 29 CO 0.00 0.48 -0.03 0.14 -0.55 0.00 0.00 175.29 175.33 1t3o s VAL 30 N -1.21 3.71 0.04 1.34 -7.23 -1.26 0.61 120.40 116.41 1t3o s VAL 30 Ca 0.19 -0.40 0.03 0.00 -1.81 0.00 0.00 61.98 60.00 1t3o s VAL 30 Cb -0.11 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 1t3o s VAL 30 CO 0.11 0.45 -0.10 -1.59 -0.31 0.00 0.00 175.10 173.66 1t3o s LYS 31 N 0.95 0.63 0.32 4.82 -2.85 -0.97 -2.94 119.74 119.69 1t3o s LYS 31 Ca 0.00 -0.75 0.06 0.00 -1.00 0.00 0.00 55.97 54.29 1t3o s LYS 31 Cb -0.14 -0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 35.12 1t3o s LYS 31 CO 0.01 0.11 0.45 -0.48 0.10 0.00 0.00 175.35 175.54 1t3o s LEU 32 N -1.44 4.01 -0.04 2.77 0.05 0.13 -0.28 118.68 123.88 1t3o s LEU 32 Ca -0.06 -0.16 0.02 0.00 0.05 0.00 0.00 54.13 53.98 1t3o s LEU 32 Cb -0.09 -2.76 0.01 0.00 -2.05 0.00 0.00 46.19 41.30 1t3o s LEU 32 CO 0.01 -0.39 -0.09 -0.83 -0.55 0.00 0.00 176.35 174.50 1t3o s GLY 33 N -4.15 0.59 -0.41 -3.48 0.00 -0.13 0.10 107.32 99.83 1t3o s GLY 33 Ca 0.44 -0.33 -0.15 0.00 0.00 0.00 0.00 44.72 44.68 1t3o s GLY 33 CO 0.31 0.00 0.30 -0.26 0.00 0.00 0.00 173.10 173.45 1t3o s ILE 34 N 0.36 5.17 -0.11 0.90 -0.00 0.47 -3.63 121.20 124.36 1t3o s ILE 34 Ca -0.06 -0.74 0.01 0.00 -0.00 0.00 0.00 60.65 59.86 1t3o s ILE 34 Cb -0.11 -3.91 0.02 0.00 -0.00 0.00 0.00 42.46 38.46 1t3o s ILE 34 CO 0.01 -0.34 -0.15 -0.62 -0.00 0.00 0.00 174.94 173.85 1t3o s ASP 35 N 1.78 2.44 0.06 4.36 2.15 -1.26 -1.71 116.67 124.48 1t3o s ASP 35 Ca 0.05 -0.42 0.01 0.00 0.43 0.00 0.00 52.55 52.61 1t3o s ASP 35 Cb -0.20 -1.08 -0.03 0.00 -0.30 0.00 0.00 42.92 41.31 1t3o s ASP 35 CO 0.09 0.00 -0.06 0.00 -0.17 0.00 0.00 175.17 175.04 1t3o s ALA 36 N 1.07 0.60 0.00 3.66 0.00 -1.17 -5.02 121.76 120.90 1t3o s ALA 36 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1t3o s ALA 36 Cb -0.15 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1t3o s ALA 36 CO -0.03 -0.18 0.64 -0.35 0.00 0.00 0.00 175.76 175.84 1t3o n PRO 37 N 0.77 0.45 -3.03 0.00 -0.04 -1.26 -3.13 135.00 128.76 1t3o n PRO 37 Ca -0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 1t3o n PRO 37 Cb 0.58 -1.28 0.03 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.20 -4.87 -0.07 0.54 4.76 -1.26 -4.81 118.16 113.66 1t3o n LYS 38 Ca 0.00 0.90 -0.06 0.00 -2.87 0.00 0.00 58.31 56.29 1t3o n LYS 38 Cb 0.22 -5.77 0.05 0.00 -1.84 0.00 0.00 35.03 27.70 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 -4.51 -2.52 -2.44 2.13 1.44 -1.26 -5.00 115.22 103.06 1t3o n HIS 39 Ca -0.11 -0.16 -0.32 0.00 -2.01 0.00 0.00 57.72 55.11 1t3o n HIS 39 Cb 0.62 -0.23 -0.04 0.00 0.12 0.00 0.00 29.99 30.46 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 -1.24 4.41 -0.50 0.61 -0.00 -1.26 -5.02 121.20 118.20 1t3o s ILE 40 Ca 0.13 1.22 -0.14 0.00 -0.00 0.00 0.00 60.65 61.86 1t3o s ILE 40 Cb -0.02 -3.66 0.11 0.00 -0.00 0.00 0.00 42.46 38.89 1t3o s ILE 40 CO 0.11 -0.59 0.42 1.51 -0.00 0.00 0.00 174.94 176.38 1t3o s ASP 41 N -2.85 6.05 0.09 4.36 -4.77 -1.26 -5.06 116.67 113.24 1t3o s ASP 41 Ca 0.60 -1.63 -0.17 0.00 -3.30 0.00 0.00 52.55 48.05 1t3o s ASP 41 Cb -0.11 -2.15 -0.07 0.00 -1.09 0.00 0.00 42.92 39.51 1t3o s ASP 41 CO 0.28 -0.74 0.54 -0.63 0.70 0.00 0.00 175.17 175.33 1t3o s ILE 42 N 1.56 4.81 0.15 2.11 1.01 -1.26 -5.08 121.20 124.50 1t3o s ILE 42 Ca 0.04 1.04 -0.02 0.00 0.00 0.00 0.00 60.65 61.71 1t3o s ILE 42 Cb -0.27 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1t3o s ILE 42 CO 0.04 0.45 0.09 -1.00 0.00 0.00 0.00 174.94 174.51 1t3o s HIS 43 N -1.23 0.89 -0.05 3.97 3.76 -1.26 -4.73 115.29 116.64 1t3o s HIS 43 Ca 0.31 -1.23 -0.07 0.00 -0.15 0.00 0.00 55.06 53.92 1t3o s HIS 43 Cb -0.18 -0.46 -0.02 0.00 1.11 0.00 0.00 32.58 33.03 1t3o s HIS 43 CO 0.18 -0.56 -0.13 -2.13 -0.85 0.00 0.00 174.74 171.25 1t3o n ARG 44 N -0.14 0.20 -3.74 1.40 3.00 -1.26 -4.97 116.66 111.15 1t3o n ARG 44 Ca -0.04 0.08 -0.15 0.00 -0.00 0.00 0.00 57.85 57.74 1t3o n ARG 44 Cb 0.64 -0.78 -0.16 0.00 0.00 0.00 0.00 32.46 32.16 1t3o n ARG 44 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1t3o s LYS 45 N -1.97 0.01 -1.64 -0.14 1.02 -1.26 -4.88 119.74 110.88 1t3o s LYS 45 Ca -0.11 0.32 -0.03 0.00 0.02 0.00 0.00 55.97 56.17 1t3o s LYS 45 Cb 0.02 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.07 1t3o s LYS 45 CO 0.16 -0.21 0.35 0.39 -0.92 0.00 0.00 175.35 175.13 1t3o n GLU 46 N 4.48 -3.52 -2.13 1.68 1.02 -1.26 -4.19 120.64 116.72 1t3o n GLU 46 Ca -0.22 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 1t3o n GLU 46 Cb 0.51 -5.72 0.00 0.00 -0.02 0.00 0.00 31.44 26.21 1t3o n GLU 46 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1t3o n ILE 47 N -4.28 -6.87 1.16 -3.67 -5.35 -1.26 -4.88 119.36 94.21 1t3o n ILE 47 Ca -0.17 1.64 0.14 0.00 -0.27 0.00 0.00 62.75 64.09 1t3o n ILE 47 Cb 0.65 -3.72 0.52 0.00 -1.74 0.00 0.00 39.64 35.35 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 1.90 0.00 0.00 4.28 0.18 -1.26 -4.45 117.16 117.81 1t3o n TYR 48 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1t3o n TYR 48 Cb 0.00 -0.31 0.00 0.00 -0.38 0.00 0.00 39.34 38.65 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 1.31 0.00 -3.48 4.77 -1.26 -4.91 117.00 112.14 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 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1t3o n LEU 49 CO 0.28 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.75 1t3o n THR 50 N -0.85 0.00 0.10 -5.08 -1.04 -1.26 -4.71 114.28 101.45 1t3o n THR 50 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1t3o n THR 50 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.00 12.58 2.04 -1.97 0.80 117.51 130.96 1t3o h ILE 51 Ca 0.00 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 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 -0.01 0.06 0.00 0.00 0.00 178.15 178.20 1t3o h GLN 52 N -0.66 0.00 -0.31 2.37 3.07 -1.90 -2.73 115.11 114.95 1t3o h GLN 52 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.55 1t3o h GLN 52 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 1t3o h GLN 52 CO 0.05 0.01 -0.43 1.49 0.09 0.00 0.00 178.83 180.04 1t3o h GLU 53 N 0.00 0.78 -0.55 0.06 4.57 -1.89 0.80 114.58 118.35 1t3o h GLU 53 Ca -0.00 -0.43 -0.04 0.00 -1.18 0.00 0.00 59.36 57.72 1t3o h GLU 53 Cb 0.60 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1t3o h GLU 53 CO 0.00 1.05 0.20 0.93 -1.18 0.00 0.00 179.01 180.01 1t3o h GLU 54 N 0.63 0.84 0.00 1.92 5.08 -0.55 -3.41 114.58 119.08 1t3o h GLU 54 Ca 0.04 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1t3o h GLU 54 Cb 1.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1t3o h GLU 54 CO 0.10 0.75 0.00 -1.71 -1.00 0.00 0.00 179.01 177.14 1t3o n ASN 55 N -4.48 0.00 0.00 1.42 2.85 -1.05 -4.32 115.26 109.68 1t3o n ASN 55 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1t3o n ASN 55 Cb 0.18 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.20 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 0.26 -0.69 115.26 121.17 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 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.87 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 -1.28 0.00 -2.88 1.20 -4.01 -1.26 -4.87 116.66 103.55 1t3o n ARG 57 Ca 0.00 0.00 -0.37 0.00 -1.04 0.00 0.00 57.85 56.44 1t3o n ARG 57 Cb 0.00 0.00 -0.00 0.00 -3.04 0.00 0.00 32.46 29.42 1t3o n ARG 57 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1t3o n ALA 58 N 0.00 5.37 -0.64 2.89 0.00 0.13 -5.05 120.51 123.21 1t3o n ALA 58 Ca 0.00 -4.70 -0.31 0.00 0.00 0.00 0.00 53.44 48.43 1t3o n ALA 58 Cb 0.00 -1.82 0.18 0.00 0.00 0.00 0.00 19.45 17.81 1t3o n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3o n ALA 59 N 0.37 -1.84 -1.42 0.00 0.00 -1.26 -4.06 120.51 112.29 1t3o n ALA 59 Ca 0.37 -0.77 -0.51 0.00 0.00 0.00 0.00 53.44 52.53 1t3o n ALA 59 Cb 0.32 -2.04 -0.08 0.00 0.00 0.00 0.00 19.45 17.65 1t3o n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3o n ALA 60 N -4.35 0.93 -2.62 0.00 0.00 -1.26 -4.91 120.51 108.29 1t3o n ALA 60 Ca 0.08 -0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 1t3o n ALA 60 Cb 0.53 -2.50 -0.05 0.00 0.00 0.00 0.00 19.45 17.43 1t3o n ALA 60 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1t3o s LEU 61 N 7.39 4.30 0.00 0.00 2.96 -1.26 -4.96 118.68 127.10 1t3o s LEU 61 Ca 1.12 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1t3o s LEU 61 Cb -0.93 -3.18 0.00 0.00 0.50 0.00 0.00 46.19 42.58 1t3o s LEU 61 CO 0.50 0.10 0.00 -1.20 -1.32 0.00 0.00 176.35 174.43 1t3o n SER 62 N 0.43 -4.35 -0.92 3.68 7.64 -1.26 -4.04 113.62 114.80 1t3o n SER 62 Ca -0.05 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.88 1t3o n SER 62 Cb 0.52 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.95 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 -3.04 3.33 -2.06 6.43 7.64 -1.26 -4.65 113.62 120.01 1t3o n SER 63 Ca 0.00 -3.26 -0.24 0.00 1.01 0.00 0.00 58.87 56.38 1t3o n SER 63 Cb 0.00 -0.57 0.15 0.00 -1.01 0.00 0.00 64.21 62.78 1t3o n SER 63 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1t3o n ASP 64 N -0.79 4.67 -0.07 6.43 2.03 -1.26 -4.16 116.55 123.41 1t3o n ASP 64 Ca 0.25 -3.70 -0.17 0.00 0.52 0.00 0.00 54.79 51.69 1t3o n ASP 64 Cb 0.92 -0.82 -0.13 0.00 -0.72 0.00 0.00 41.12 40.37 1t3o n ASP 64 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1t3o n VAL 65 N -1.06 1.58 0.00 5.18 0.31 -1.26 -4.98 118.33 118.10 1t3o n VAL 65 Ca 0.55 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1t3o n VAL 65 Cb 1.25 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 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 -3.23 0.00 0.00 2.52 2.08 -1.26 -4.02 119.36 115.45 1t3o n ILE 66 Ca -0.36 0.00 0.00 0.00 0.56 0.00 0.00 62.75 62.95 1t3o n ILE 66 Cb 1.04 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.93 1t3o n ILE 66 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1t3o n SER 67 N 0.94 0.00 -4.63 4.38 2.88 -1.26 -4.82 113.62 111.11 1t3o n SER 67 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1t3o n SER 67 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.00 3.61 0.00 -1.46 0.00 -1.26 -4.45 121.76 118.19 1t3o s ALA 68 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1t3o s ALA 68 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1t3o s ALA 68 CO 0.00 -0.86 0.00 1.28 0.00 0.00 0.00 175.76 176.18 1t3o n LEU 69 N 5.79 0.00 0.00 0.00 4.77 -1.26 -4.77 117.00 121.53 1t3o n LEU 69 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1t3o n LEU 69 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1t3o n LEU 69 CO 0.44 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.26 1t3o n SER 70 N 1.72 0.00 -4.25 -1.43 2.88 -1.26 -4.53 113.62 106.75 1t3o n SER 70 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1t3o n SER 70 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1t3o n SER 70 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1t3o n SER 71 N 2.11 4.92 -4.27 -3.46 7.64 -1.26 -4.84 113.62 114.46 1t3o n SER 71 Ca 0.00 -2.97 -0.32 0.00 1.01 0.00 0.00 58.87 56.58 1t3o n SER 71 Cb 0.00 -1.61 -0.16 0.00 -1.01 0.00 0.00 64.21 61.43 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 2.22 3.17 0.39 1.43 -2.07 -1.26 -5.11 119.66 118.43 1t3o s GLN 72 Ca 0.46 -0.80 -0.24 0.00 -1.82 0.00 0.00 55.36 52.95 1t3o s GLN 72 Cb 0.04 -2.44 -0.09 0.00 -1.09 0.00 0.00 33.01 29.43 1t3o s GLN 72 CO 0.01 0.17 1.01 -1.59 -1.32 0.00 0.00 175.29 173.57 1t3o s LYS 73 N 0.40 4.27 0.00 9.60 0.00 -1.26 -5.19 119.74 127.55 1t3o s LYS 73 Ca -0.15 1.40 0.30 0.00 0.00 0.00 0.00 55.97 57.53 1t3o s LYS 73 Cb -0.17 -2.54 1.57 0.00 0.00 0.00 0.00 37.83 36.69 1t3o s LYS 73 CO 0.07 -0.03 2.04 1.63 0.00 0.00 0.00 175.35 179.05