#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f90 s LYS 3 N 0.00 4.01 -0.09 1.43 1.02 -1.26 -1.89 119.74 122.96 3f90 s LYS 3 Ca 0.00 -0.04 0.03 0.00 0.02 0.00 0.00 55.97 55.98 3f90 s LYS 3 Cb 0.00 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 3f90 s LYS 3 CO 0.00 -0.23 -0.19 0.08 -0.92 0.00 0.00 175.35 174.08 3f90 s VAL 4 N 1.94 2.52 -0.21 3.17 1.01 -0.02 -0.20 120.40 128.60 3f90 s VAL 4 Ca 0.13 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 3f90 s VAL 4 Cb -0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3f90 s VAL 4 CO 0.10 0.56 0.08 -0.22 0.00 0.00 0.00 175.10 175.62 3f90 s LEU 5 N 0.02 3.74 -0.40 3.92 2.96 -0.73 -0.50 118.68 127.68 3f90 s LEU 5 Ca -0.07 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3f90 s LEU 5 Cb -0.15 -1.97 0.10 0.00 0.50 0.00 0.00 46.19 44.66 3f90 s LEU 5 CO 0.05 0.09 0.20 -0.63 -1.32 0.00 0.00 176.35 174.74 3f90 s ILE 6 N 0.90 3.56 -0.15 6.68 1.01 0.08 0.74 121.20 134.01 3f90 s ILE 6 Ca 0.04 -1.79 -0.09 0.00 0.00 0.00 0.00 60.65 58.81 3f90 s ILE 6 Cb -0.14 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 3f90 s ILE 6 CO 0.03 -0.58 0.17 -0.69 0.00 0.00 0.00 174.94 173.86 3f90 s VAL 7 N 1.24 5.42 0.03 2.92 1.01 0.08 -0.54 120.40 130.57 3f90 s VAL 7 Ca 0.05 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 3f90 s VAL 7 Cb -0.23 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3f90 s VAL 7 CO -0.02 0.52 0.00 0.72 0.00 0.00 0.00 175.10 176.32 3f90 s PHE 8 N -0.28 0.30 -0.16 5.22 -0.12 -0.36 -0.06 117.98 122.52 3f90 s PHE 8 Ca 0.13 -0.64 0.02 0.00 -0.05 0.00 0.00 56.93 56.38 3f90 s PHE 8 Cb -0.12 -0.22 0.02 0.00 -0.63 0.00 0.00 43.02 42.06 3f90 s PHE 8 CO 0.02 -0.28 -0.20 0.20 -0.05 0.00 0.00 175.22 174.91 3f90 s GLY 9 N -1.95 1.34 -0.03 1.99 0.00 0.13 0.18 107.32 108.98 3f90 s GLY 9 Ca -0.08 -1.13 -0.00 0.00 0.00 0.00 0.00 44.72 43.51 3f90 s GLY 9 CO -0.04 0.17 0.02 -0.45 0.00 0.00 0.00 173.10 172.81 3f90 s SER 10 N 1.10 0.52 -0.02 1.64 0.15 -1.26 -3.26 113.70 112.57 3f90 s SER 10 Ca -0.00 0.00 0.17 0.00 0.70 0.00 0.00 55.95 56.82 3f90 s SER 10 Cb -0.14 -0.18 -0.26 0.00 -1.71 0.00 0.00 66.02 63.73 3f90 s SER 10 CO -0.08 -0.14 0.39 -1.20 1.20 0.00 0.00 173.24 173.42 3f90 n SER 11 N 4.40 1.10 0.00 5.45 7.64 -1.26 -4.50 113.62 126.46 3f90 n SER 11 Ca -0.22 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.60 3f90 n SER 11 Cb 0.50 1.72 0.00 0.00 -1.01 0.00 0.00 64.21 65.42 3f90 n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3f90 n THR 12 N -2.04 0.46 -0.01 0.44 -2.24 -1.26 -5.04 114.28 104.58 3f90 n THR 12 Ca -0.03 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3f90 n THR 12 Cb 0.43 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3f90 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f90 n GLY 13 N -0.23 0.24 0.08 3.38 0.00 -1.26 -4.97 105.19 102.42 3f90 n GLY 13 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3f90 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f90 h ASN 14 N 0.00 -0.06 -0.55 1.61 4.21 -1.95 0.19 115.58 119.04 3f90 h ASN 14 Ca 0.00 -0.34 -0.04 0.00 1.21 0.00 0.00 56.30 57.13 3f90 h ASN 14 Cb 0.00 0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.19 3f90 h ASN 14 CO 0.00 0.31 0.20 0.74 -1.29 0.00 0.00 177.43 177.39 3f90 h THR 15 N -0.44 1.22 -0.73 2.81 2.02 -1.87 0.16 112.91 116.08 3f90 h THR 15 Ca -0.01 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.44 3f90 h THR 15 Cb 0.39 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 3f90 h THR 15 CO 0.01 0.29 0.48 -0.08 0.37 0.00 0.00 175.52 176.59 3f90 h GLU 16 N 0.86 0.96 -0.20 6.66 4.81 -1.82 -1.22 114.58 124.64 3f90 h GLU 16 Ca 0.20 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3f90 h GLU 16 Cb 0.22 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3f90 h GLU 16 CO -0.01 0.64 0.01 1.03 -0.73 0.00 0.00 179.01 179.94 3f90 h SER 17 N 0.99 0.33 -0.51 1.04 0.87 0.65 -1.94 113.55 114.99 3f90 h SER 17 Ca 0.27 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3f90 h SER 17 Cb -0.11 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 3f90 h SER 17 CO -0.06 0.55 0.32 0.40 -0.53 0.00 0.00 176.83 177.51 3f90 h ILE 18 N 0.11 1.14 -0.48 2.23 2.04 -0.74 -2.38 117.51 119.43 3f90 h ILE 18 Ca 0.06 -0.29 -0.13 0.00 1.00 0.00 0.00 64.86 65.50 3f90 h ILE 18 Cb 0.37 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3f90 h ILE 18 CO 0.01 0.14 -0.21 0.00 0.00 0.00 0.00 178.15 178.09 3f90 h ALA 19 N 1.66 0.67 0.53 1.87 0.00 -1.02 -1.34 119.26 121.63 3f90 h ALA 19 Ca 0.19 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3f90 h ALA 19 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3f90 h ALA 19 CO -0.04 0.66 -0.29 1.96 0.00 0.00 0.00 179.25 181.54 3f90 h GLN 20 N 0.84 -0.73 -0.46 0.00 4.20 -0.95 -1.85 115.11 116.16 3f90 h GLN 20 Ca 0.11 0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.96 3f90 h GLN 20 Cb 0.79 0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.64 3f90 h GLN 20 CO 0.07 -0.49 -0.13 -0.22 -0.67 0.00 0.00 178.83 177.39 3f90 h LYS 21 N -0.76 -0.02 -0.08 1.46 1.63 -1.40 -0.64 116.57 116.76 3f90 h LYS 21 Ca -0.07 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 3f90 h LYS 21 Cb 0.60 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.20 3f90 h LYS 21 CO 0.09 -0.01 -0.11 -0.07 -3.45 0.00 0.00 179.45 175.90 3f90 h LEU 22 N -0.02 -0.34 -0.55 5.20 3.38 -1.16 0.30 115.31 122.11 3f90 h LEU 22 Ca 0.22 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.37 3f90 h LEU 22 Cb 0.36 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 3f90 h LEU 22 CO -0.49 -0.15 -0.09 -0.08 0.09 0.00 0.00 178.44 177.72 3f90 h GLU 23 N -0.15 0.04 0.33 1.13 4.81 -0.74 0.31 114.58 120.31 3f90 h GLU 23 Ca 0.07 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3f90 h GLU 23 Cb 0.25 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3f90 h GLU 23 CO -0.17 0.02 -0.40 1.49 -0.73 0.00 0.00 179.01 179.22 3f90 h GLU 24 N 0.04 -0.74 -0.89 1.92 4.81 0.23 0.19 114.58 120.13 3f90 h GLU 24 Ca 0.27 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.61 3f90 h GLU 24 Cb 0.43 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 3f90 h GLU 24 CO -0.54 -0.50 0.58 -0.07 -0.73 0.00 0.00 179.01 177.76 3f90 h LEU 25 N -0.77 0.90 0.03 1.64 3.38 0.11 -1.65 115.31 118.95 3f90 h LEU 25 Ca -0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 3f90 h LEU 25 Cb 0.71 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3f90 h LEU 25 CO -0.10 0.59 -1.06 0.40 0.09 0.00 0.00 178.44 178.36 3f90 h ILE 26 N 1.03 1.66 0.00 1.22 2.04 -0.10 -3.02 117.51 120.35 3f90 h ILE 26 Ca 0.38 -3.33 -0.10 0.00 1.00 0.00 0.00 64.86 62.81 3f90 h ILE 26 Cb 0.17 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 3f90 h ILE 26 CO -0.14 0.96 -0.46 0.00 0.00 0.00 0.00 178.15 178.51 3f90 h ALA 27 N 0.90 1.04 0.00 1.87 0.00 -0.38 -2.13 119.26 120.57 3f90 h ALA 27 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3f90 h ALA 27 Cb 1.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3f90 h ALA 27 CO 0.15 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.98 3f90 n ALA 28 N -2.37 1.95 1.36 0.00 0.00 -0.64 -1.15 120.51 119.67 3f90 n ALA 28 Ca -0.01 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.50 3f90 n ALA 28 Cb 0.53 -1.35 0.51 0.00 0.00 0.00 0.00 19.45 19.14 3f90 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f90 n GLY 29 N 0.65 -0.71 0.28 0.00 0.00 -0.81 -4.93 105.19 99.68 3f90 n GLY 29 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3f90 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f90 n GLY 30 N 1.29 0.92 3.83 -0.02 0.00 -0.30 -5.08 105.19 105.83 3f90 n GLY 30 Ca 0.14 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3f90 n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f90 s HIS 31 N -2.00 3.16 -0.25 1.61 4.02 -1.17 -4.67 115.29 115.99 3f90 s HIS 31 Ca 0.00 -0.06 -0.20 0.00 1.02 0.00 0.00 55.06 55.82 3f90 s HIS 31 Cb 0.00 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.58 30.08 3f90 s HIS 31 CO 0.00 0.51 0.60 -1.21 1.02 0.00 0.00 174.74 175.67 3f90 s GLU 32 N -3.58 4.11 0.06 1.40 8.01 -0.79 -4.38 118.70 123.53 3f90 s GLU 32 Ca 0.32 0.50 0.08 0.00 0.01 0.00 0.00 54.97 55.88 3f90 s GLU 32 Cb -0.09 -3.65 -0.03 0.00 -4.31 0.00 0.00 34.13 26.05 3f90 s GLU 32 CO 0.25 -0.39 -0.19 0.08 0.01 0.00 0.00 175.26 175.02 3f90 s VAL 33 N 2.42 2.70 -0.13 2.63 1.01 -1.26 -0.84 120.40 126.93 3f90 s VAL 33 Ca 0.25 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 60.94 3f90 s VAL 33 Cb -0.16 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.09 3f90 s VAL 33 CO 0.09 0.28 -0.15 -0.89 0.00 0.00 0.00 175.10 174.43 3f90 s THR 34 N -0.96 1.55 -0.12 3.92 2.01 0.34 -4.96 115.64 117.43 3f90 s THR 34 Ca 0.15 -0.64 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 3f90 s THR 34 Cb -0.10 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 3f90 s THR 34 CO 0.06 0.45 0.53 -0.22 -0.69 0.00 0.00 174.62 174.75 3f90 s LEU 35 N 1.28 4.27 -0.07 4.42 2.96 -1.26 -0.74 118.68 129.53 3f90 s LEU 35 Ca 0.00 0.88 -0.00 0.00 -0.22 0.00 0.00 54.13 54.79 3f90 s LEU 35 Cb -0.14 -2.78 0.03 0.00 0.50 0.00 0.00 46.19 43.80 3f90 s LEU 35 CO -0.07 -0.05 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.66 3f90 s LEU 36 N 0.81 0.92 0.05 -0.68 0.20 0.30 -4.96 118.68 115.32 3f90 s LEU 36 Ca 0.28 -0.13 -0.30 0.00 0.69 0.00 0.00 54.13 54.66 3f90 s LEU 36 Cb -0.16 -0.51 -0.05 0.00 -0.43 0.00 0.00 46.19 45.04 3f90 s LEU 36 CO 0.12 -0.14 1.14 0.21 -0.29 0.00 0.00 176.35 177.39 3f90 s ASN 37 N 1.59 7.15 0.56 3.68 3.84 -1.26 -1.22 114.94 129.28 3f90 s ASN 37 Ca -0.00 1.93 0.29 0.00 0.21 0.00 0.00 52.86 55.29 3f90 s ASN 37 Cb -0.13 -2.58 1.67 0.00 -0.55 0.00 0.00 41.25 39.66 3f90 s ASN 37 CO -0.04 -0.41 2.18 0.00 -2.79 0.00 0.00 177.10 176.04 3f90 h ALA 38 N 6.77 1.42 0.00 1.71 0.00 -0.60 0.19 119.26 128.75 3f90 h ALA 38 Ca -0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3f90 h ALA 38 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3f90 h ALA 38 CO 0.79 0.07 0.00 0.00 0.00 0.00 0.00 179.25 180.11 3f90 h ALA 39 N 1.95 1.00 -0.32 0.00 0.00 -1.80 -2.78 119.26 117.31 3f90 h ALA 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f90 h ALA 39 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3f90 h ALA 39 CO 0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 3f90 n ASP 40 N -2.64 2.85 -4.88 0.00 8.00 0.64 -5.03 116.55 115.48 3f90 n ASP 40 Ca 0.01 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 53.18 3f90 n ASP 40 Cb 0.25 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.08 3f90 n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f90 s ALA 41 N -1.00 3.81 -0.29 2.24 0.00 -1.02 -4.94 121.76 120.56 3f90 s ALA 41 Ca 0.22 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 3f90 s ALA 41 Cb 0.11 -2.13 0.05 0.00 0.00 0.00 0.00 23.12 21.15 3f90 s ALA 41 CO 0.15 0.62 -0.02 -1.12 0.00 0.00 0.00 175.76 175.39 3f90 s SER 42 N -1.68 4.79 0.23 0.00 0.01 -1.26 -5.01 113.70 110.78 3f90 s SER 42 Ca 0.29 -1.26 -0.10 0.00 1.31 0.00 0.00 55.95 56.19 3f90 s SER 42 Cb -0.14 -1.69 0.34 0.00 0.21 0.00 0.00 66.02 64.74 3f90 s SER 42 CO 0.16 -0.24 1.64 0.00 0.41 0.00 0.00 173.24 175.21 3f90 h ALA 43 N 7.97 0.62 -0.80 1.44 0.00 -1.93 -3.36 119.26 123.20 3f90 h ALA 43 Ca -0.22 0.23 -0.66 0.00 0.00 0.00 0.00 54.91 54.27 3f90 h ALA 43 Cb 1.06 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 3f90 h ALA 43 CO 0.53 -0.42 1.45 -1.91 0.00 0.00 0.00 179.25 178.89 3f90 n GLU 44 N -5.36 0.75 -1.58 0.00 4.07 -1.26 -0.16 120.64 117.10 3f90 n GLU 44 Ca 0.10 0.18 -0.16 0.00 -0.06 0.00 0.00 57.16 57.23 3f90 n GLU 44 Cb 0.40 -2.24 -0.06 0.00 -0.06 0.00 0.00 31.44 29.48 3f90 n GLU 44 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3f90 n ASN 45 N 9.84 -4.89 -0.17 4.31 3.02 -0.08 -4.90 115.26 122.39 3f90 n ASN 45 Ca 0.46 0.34 0.20 0.00 -0.03 0.00 0.00 54.58 55.55 3f90 n ASN 45 Cb 0.18 -3.82 0.59 0.00 -0.61 0.00 0.00 39.78 36.11 3f90 n ASN 45 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3f90 h LEU 46 N 0.00 0.25 -0.12 3.41 5.85 -0.49 -1.86 115.31 122.34 3f90 h LEU 46 Ca -0.33 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3f90 h LEU 46 Cb 1.07 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3f90 h LEU 46 CO 0.47 0.11 -0.35 0.00 -0.34 0.00 0.00 178.44 178.33 3f90 n ALA 47 N -2.58 3.23 -1.67 1.25 0.00 -0.61 -4.93 120.51 115.19 3f90 n ALA 47 Ca 0.16 -0.32 -0.52 0.00 0.00 0.00 0.00 53.44 52.76 3f90 n ALA 47 Cb 0.70 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 3f90 n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3f90 n ASP 48 N -1.27 2.60 0.00 0.00 9.92 -0.70 -0.95 116.55 126.14 3f90 n ASP 48 Ca 0.08 1.06 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 3f90 n ASP 48 Cb 0.33 -1.26 0.00 0.00 -0.64 0.00 0.00 41.12 39.56 3f90 n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3f90 n GLY 49 N 3.73 0.78 3.69 0.44 0.00 -1.26 -5.04 105.19 107.52 3f90 n GLY 49 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3f90 n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f90 s TYR 50 N -3.04 3.27 0.16 1.61 1.51 -0.13 -4.83 117.35 115.90 3f90 s TYR 50 Ca 0.00 0.18 -0.02 0.00 -1.01 0.00 0.00 57.07 56.22 3f90 s TYR 50 Cb 0.00 -1.94 -0.00 0.00 -0.11 0.00 0.00 41.96 39.91 3f90 s TYR 50 CO 0.00 0.37 1.38 -0.44 -1.11 0.00 0.00 175.55 175.75 3f90 h ASP 51 N 5.81 0.46 -5.06 2.29 3.32 -0.89 -3.47 116.42 118.88 3f90 h ASP 51 Ca -0.45 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.17 3f90 h ASP 51 Cb 1.19 -0.14 -0.17 0.00 0.22 0.00 0.00 39.33 40.43 3f90 h ASP 51 CO 0.62 1.10 -0.28 0.00 -1.72 0.00 0.00 179.24 178.96 3f90 s ALA 52 N -3.43 -0.60 -0.10 3.45 0.00 -0.98 -2.77 121.76 117.33 3f90 s ALA 52 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3f90 s ALA 52 Cb 0.10 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.56 3f90 s ALA 52 CO 0.85 -0.41 -0.09 0.08 0.00 0.00 0.00 175.76 176.19 3f90 s VAL 53 N -2.61 1.07 -0.24 0.00 1.01 0.12 -1.78 120.40 117.96 3f90 s VAL 53 Ca -0.05 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3f90 s VAL 53 Cb -0.01 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 3f90 s VAL 53 CO -0.04 0.37 0.16 -0.76 0.00 0.00 0.00 175.10 174.83 3f90 s LEU 54 N 1.45 4.10 -0.20 3.92 1.43 0.23 -2.73 118.68 126.87 3f90 s LEU 54 Ca 0.00 0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 3f90 s LEU 54 Cb -0.13 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3f90 s LEU 54 CO -0.06 0.06 0.06 -0.36 0.23 0.00 0.00 176.35 176.28 3f90 s PHE 55 N 1.10 3.19 -0.16 0.29 0.40 -0.47 -0.74 117.98 121.59 3f90 s PHE 55 Ca 0.07 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 3f90 s PHE 55 Cb -0.14 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.28 3f90 s PHE 55 CO 0.05 0.01 -0.16 0.20 0.70 0.00 0.00 175.22 176.02 3f90 s GLY 56 N 0.71 1.45 -0.18 4.36 0.00 0.91 -0.88 107.32 113.70 3f90 s GLY 56 Ca 0.03 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 3f90 s GLY 56 CO 0.02 0.11 0.21 0.00 0.00 0.00 0.00 173.10 173.44 3f90 s SER 58 N 2.32 5.18 -0.10 0.00 1.04 -1.20 -4.48 113.70 116.46 3f90 s SER 58 Ca 0.06 1.73 -0.10 0.00 0.48 0.00 0.00 55.95 58.11 3f90 s SER 58 Cb -0.15 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 3f90 s SER 58 CO -0.11 -1.58 0.24 0.00 0.98 0.00 0.00 173.24 172.77 3f90 s ALA 59 N -2.88 3.77 -0.30 5.32 0.00 -1.12 -2.94 121.76 123.62 3f90 s ALA 59 Ca 0.60 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 3f90 s ALA 59 Cb -0.16 -2.16 0.12 0.00 0.00 0.00 0.00 23.12 20.92 3f90 s ALA 59 CO 0.52 0.47 0.21 -1.58 0.00 0.00 0.00 175.76 175.37 3f90 s TRP 60 N -0.71 0.09 0.21 0.00 0.52 -1.26 -4.92 118.94 112.86 3f90 s TRP 60 Ca 0.17 -0.75 -0.07 0.00 0.02 0.00 0.00 56.10 55.47 3f90 s TRP 60 Cb -0.13 -0.73 0.16 0.00 -1.15 0.00 0.00 33.47 31.61 3f90 s TRP 60 CO 0.06 -0.87 1.70 0.78 0.02 0.00 0.00 176.95 178.65 3f90 h GLY 61 N 8.10 1.12 0.00 0.98 0.00 -1.93 -3.35 103.07 107.99 3f90 h GLY 61 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.45 3f90 h GLY 61 CO 0.37 0.70 0.00 1.03 0.00 0.00 0.00 176.54 178.64 3f90 n MET 62 N -4.21 3.51 -0.13 4.80 2.81 -1.26 -4.57 117.12 118.07 3f90 n MET 62 Ca 0.04 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.03 3f90 n MET 62 Cb 0.30 0.00 0.15 0.00 -0.71 0.00 0.00 33.22 32.97 3f90 n MET 62 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3f90 n GLU 63 N 0.00 0.00 -1.05 0.03 1.02 -1.26 -3.44 120.64 115.94 3f90 n GLU 63 Ca 0.00 0.22 -0.23 0.00 -0.02 0.00 0.00 57.16 57.12 3f90 n GLU 63 Cb 0.00 -0.50 0.09 0.00 -0.02 0.00 0.00 31.44 31.00 3f90 n GLU 63 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3f90 n ASP 64 N -2.27 5.85 -3.66 1.62 9.92 -1.26 -4.83 116.55 121.92 3f90 n ASP 64 Ca 0.08 -3.36 -0.28 0.00 -0.53 0.00 0.00 54.79 50.71 3f90 n ASP 64 Cb 0.39 -0.92 -0.01 0.00 -0.64 0.00 0.00 41.12 39.94 3f90 n ASP 64 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3f90 n LEU 65 N -0.46 -1.72 0.00 0.64 4.77 -1.22 -2.49 117.00 116.52 3f90 n LEU 65 Ca 0.46 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3f90 n LEU 65 Cb 0.89 -2.17 0.00 0.00 -2.33 0.00 0.00 43.42 39.82 3f90 n LEU 65 CO 0.55 0.23 0.00 1.21 -1.33 0.00 0.00 177.39 178.05 3f90 n GLU 66 N -4.02 0.00 -3.91 3.23 4.07 -1.26 -4.97 120.64 113.78 3f90 n GLU 66 Ca 0.02 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.03 3f90 n GLU 66 Cb 0.52 -1.51 -0.03 0.00 -0.06 0.00 0.00 31.44 30.37 3f90 n GLU 66 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 3f90 s MET 67 N -0.43 1.78 0.19 5.31 -1.94 -1.04 -4.65 119.30 118.53 3f90 s MET 67 Ca 0.00 -1.19 -0.30 0.00 -1.71 0.00 0.00 55.69 52.49 3f90 s MET 67 Cb 0.00 0.56 -0.08 0.00 2.01 0.00 0.00 34.83 37.32 3f90 s MET 67 CO 0.00 -0.79 1.07 -1.14 -0.01 0.00 0.00 175.02 174.14 3f90 s GLN 68 N -3.66 4.64 0.00 2.03 -0.44 -1.15 -4.53 119.66 116.55 3f90 s GLN 68 Ca 0.17 1.67 0.00 0.00 -2.50 0.00 0.00 55.36 54.70 3f90 s GLN 68 Cb -0.04 -3.28 0.00 0.00 -1.64 0.00 0.00 33.01 28.06 3f90 s GLN 68 CO 0.09 0.16 0.10 -0.25 0.50 0.00 0.00 175.29 175.90 3f90 n ASP 69 N 2.14 0.00 0.26 6.67 10.43 -1.26 -1.17 116.55 133.62 3f90 n ASP 69 Ca 0.02 0.10 0.13 0.00 2.57 0.00 0.00 54.79 57.61 3f90 n ASP 69 Cb 0.46 -0.00 0.72 0.00 1.84 0.00 0.00 41.12 44.14 3f90 n ASP 69 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3f90 h ASP 70 N 0.00 0.00 0.57 -2.24 3.32 -1.93 -1.69 116.42 114.44 3f90 h ASP 70 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 3f90 h ASP 70 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3f90 h ASP 70 CO 0.00 0.12 -1.00 0.15 -1.72 0.00 0.00 179.24 176.78 3f90 h PHE 71 N 0.00 0.41 -0.92 4.55 3.57 -1.57 -3.15 116.94 119.82 3f90 h PHE 71 Ca -0.00 -0.25 0.02 0.00 3.53 0.00 0.00 57.97 61.27 3f90 h PHE 71 Cb 0.34 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 3f90 h PHE 71 CO 0.00 1.11 0.61 1.25 -2.23 0.00 0.00 178.31 179.05 3f90 h LEU 72 N 0.12 1.04 -1.05 0.59 7.12 -0.17 0.66 115.31 123.63 3f90 h LEU 72 Ca -0.08 -0.02 -0.08 0.00 0.13 0.00 0.00 57.88 57.83 3f90 h LEU 72 Cb 1.67 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.54 3f90 h LEU 72 CO 0.16 0.74 -0.23 0.28 -0.13 0.00 0.00 178.44 179.27 3f90 h SER 73 N 1.23 0.40 0.32 1.25 0.02 -1.61 -2.27 113.55 112.89 3f90 h SER 73 Ca 0.35 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3f90 h SER 73 Cb -0.10 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.33 3f90 h SER 73 CO -0.09 0.64 -0.15 0.25 -1.14 0.00 0.00 176.83 176.34 3f90 h LEU 74 N 0.37 -0.36 -0.99 5.07 5.85 -1.16 -3.33 115.31 120.75 3f90 h LEU 74 Ca 0.06 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.98 3f90 h LEU 74 Cb 0.60 0.09 -0.18 0.00 0.37 0.00 0.00 40.66 41.54 3f90 h LEU 74 CO 0.04 -0.03 -0.27 0.15 -0.34 0.00 0.00 178.44 178.00 3f90 h PHE 75 N -0.89 -0.61 0.00 1.25 3.57 0.22 0.51 116.94 120.99 3f90 h PHE 75 Ca -0.04 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3f90 h PHE 75 Cb 0.33 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3f90 h PHE 75 CO 0.02 -0.42 0.31 0.93 -2.23 0.00 0.00 178.31 176.91 3f90 h GLU 76 N -0.00 0.00 -0.14 1.11 5.08 -1.52 0.16 114.58 119.27 3f90 h GLU 76 Ca 0.46 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.75 3f90 h GLU 76 Cb 0.71 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 3f90 h GLU 76 CO -1.02 0.00 -0.27 0.39 -1.00 0.00 0.00 179.01 177.12 3f90 n GLU 77 N -2.67 1.71 -0.31 2.33 1.02 0.18 -4.80 120.64 118.10 3f90 n GLU 77 Ca -0.02 -3.15 0.10 0.00 -0.02 0.00 0.00 57.16 54.07 3f90 n GLU 77 Cb 0.35 -1.69 0.27 0.00 -0.02 0.00 0.00 31.44 30.35 3f90 n GLU 77 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3f90 h PHE 78 N 0.92 0.83 0.00 -0.32 -1.00 -0.58 -1.05 116.94 115.74 3f90 h PHE 78 Ca 0.08 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.89 3f90 h PHE 78 Cb 1.25 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.59 3f90 h PHE 78 CO 0.75 0.14 0.00 -0.40 -1.61 0.00 0.00 178.31 177.19 3f90 n ASP 79 N -4.88 0.00 -0.44 2.17 5.75 -1.26 -0.75 116.55 117.14 3f90 n ASP 79 Ca 0.20 -0.12 0.11 0.00 -0.01 0.00 0.00 54.79 54.97 3f90 n ASP 79 Cb 0.52 -0.18 0.04 0.00 -1.03 0.00 0.00 41.12 40.47 3f90 n ASP 79 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3f90 n ARG 80 N -1.18 1.10 0.15 0.11 1.74 -0.40 -4.51 116.66 113.67 3f90 n ARG 80 Ca 0.08 -0.88 0.04 0.00 -0.77 0.00 0.00 57.85 56.32 3f90 n ARG 80 Cb 0.09 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.10 3f90 n ARG 80 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3f90 h ILE 81 N 2.16 0.67 -0.73 0.55 2.04 -1.01 -0.19 117.51 120.99 3f90 h ILE 81 Ca 0.00 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 63.90 3f90 h ILE 81 Cb 0.71 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 3f90 h ILE 81 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.14 3f90 n GLY 82 N 1.21 0.96 0.10 5.37 0.00 -1.26 -1.57 105.19 110.01 3f90 n GLY 82 Ca 0.02 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.65 3f90 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f90 n LEU 83 N -0.37 0.72 -4.65 0.99 4.77 -1.26 -4.79 117.00 112.42 3f90 n LEU 83 Ca 0.00 0.58 -0.49 0.00 -0.03 0.00 0.00 56.01 56.07 3f90 n LEU 83 Cb 0.38 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3f90 n LEU 83 CO 0.00 -0.23 1.55 0.00 -1.33 0.00 0.00 177.39 177.38 3f90 n ALA 84 N -1.76 0.84 -1.64 -1.18 0.00 -1.18 -1.01 120.51 114.58 3f90 n ALA 84 Ca 0.05 0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.63 3f90 n ALA 84 Cb 0.39 -2.50 -0.02 0.00 0.00 0.00 0.00 19.45 17.32 3f90 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f90 n GLY 85 N 4.81 0.53 3.48 0.00 0.00 0.18 -4.88 105.19 109.30 3f90 n GLY 85 Ca 0.26 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 3f90 n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f90 s ARG 86 N -3.42 1.90 0.13 1.61 0.52 -0.18 -4.92 118.95 114.58 3f90 s ARG 86 Ca 0.00 -1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 53.80 3f90 s ARG 86 Cb 0.00 -2.15 -0.07 0.00 0.52 0.00 0.00 34.95 33.25 3f90 s ARG 86 CO 0.00 0.50 1.16 0.15 0.02 0.00 0.00 175.30 177.13 3f90 s LYS 87 N -1.91 4.50 0.00 3.54 1.02 -1.12 -1.71 119.74 124.06 3f90 s LYS 87 Ca 0.17 1.77 -0.02 0.00 0.02 0.00 0.00 55.97 57.91 3f90 s LYS 87 Cb -0.11 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 3f90 s LYS 87 CO 0.09 -0.10 0.03 0.08 -0.92 0.00 0.00 175.35 174.52 3f90 s VAL 88 N 0.36 0.06 0.17 3.17 1.01 -0.46 0.10 120.40 124.81 3f90 s VAL 88 Ca 0.54 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 3f90 s VAL 88 Cb -0.30 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3f90 s VAL 88 CO 0.33 -0.29 0.34 0.00 0.00 0.00 0.00 175.10 175.48 3f90 s ALA 89 N -0.87 -0.25 0.06 5.51 0.00 -1.11 -1.58 121.76 123.53 3f90 s ALA 89 Ca -0.10 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.22 3f90 s ALA 89 Cb -0.06 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 3f90 s ALA 89 CO -0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 175.76 174.92 3f90 s ALA 90 N -3.94 1.33 0.07 0.00 0.00 -1.26 -1.36 121.76 116.59 3f90 s ALA 90 Ca 0.15 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 3f90 s ALA 90 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3f90 s ALA 90 CO -0.01 0.24 0.08 -0.59 0.00 0.00 0.00 175.76 175.48 3f90 s PHE 91 N -1.08 0.32 0.02 0.00 -0.71 -0.05 -0.73 117.98 115.76 3f90 s PHE 91 Ca 0.01 -0.80 -0.28 0.00 -1.04 0.00 0.00 56.93 54.82 3f90 s PHE 91 Cb -0.09 -0.22 0.08 0.00 -1.21 0.00 0.00 43.02 41.58 3f90 s PHE 91 CO 0.02 -0.46 0.70 0.00 -1.34 0.00 0.00 175.22 174.14 3f90 s ALA 92 N -3.82 -1.73 -0.02 1.99 0.00 0.18 -1.99 121.76 116.37 3f90 s ALA 92 Ca 0.05 1.00 0.02 0.00 0.00 0.00 0.00 51.96 53.03 3f90 s ALA 92 Cb 0.06 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3f90 s ALA 92 CO -0.10 -0.55 -0.05 0.45 0.00 0.00 0.00 175.76 175.51 3f90 s SER 93 N -1.90 4.77 0.00 0.00 0.15 -1.26 -2.67 113.70 112.79 3f90 s SER 93 Ca -0.04 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.54 3f90 s SER 93 Cb -0.01 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 3f90 s SER 93 CO -0.01 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.34 3f90 n GLY 94 N 1.70 2.48 2.90 9.45 0.00 -0.59 -2.78 105.19 118.35 3f90 n GLY 94 Ca -0.16 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 3f90 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f90 s ASP 95 N 1.16 1.08 0.46 1.61 -1.08 -1.26 -4.09 116.67 114.54 3f90 s ASP 95 Ca 0.00 -0.15 0.18 0.00 -0.52 0.00 0.00 52.55 52.07 3f90 s ASP 95 Cb 0.00 -0.50 1.10 0.00 -1.46 0.00 0.00 42.92 42.06 3f90 s ASP 95 CO 0.00 -0.05 1.99 1.56 0.52 0.00 0.00 175.17 179.19 3f90 h GLN 96 N 7.21 0.00 0.00 4.34 1.08 -1.97 -2.96 115.11 122.80 3f90 h GLN 96 Ca -0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 3f90 h GLN 96 Cb 1.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 3f90 h GLN 96 CO 0.46 0.20 0.00 0.39 -0.95 0.00 0.00 178.83 178.93 3f90 n GLU 97 N -4.05 0.41 -4.05 1.46 1.02 -1.26 -4.64 120.64 109.52 3f90 n GLU 97 Ca -0.02 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.89 3f90 n GLU 97 Cb 0.27 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 3f90 n GLU 97 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3f90 s TYR 98 N -2.00 3.25 0.35 -0.32 1.51 -1.12 -5.02 117.35 114.00 3f90 s TYR 98 Ca 0.17 -0.05 0.08 0.00 -1.01 0.00 0.00 57.07 56.26 3f90 s TYR 98 Cb 0.08 -1.49 0.67 0.00 -0.11 0.00 0.00 41.96 41.11 3f90 s TYR 98 CO 0.13 0.49 1.85 1.49 -1.11 0.00 0.00 175.55 178.41 3f90 h GLU 99 N 1.55 0.28 -3.53 -0.62 4.81 -1.89 -3.37 114.58 111.80 3f90 h GLU 99 Ca -0.50 -0.08 -0.64 0.00 -0.13 0.00 0.00 59.36 58.02 3f90 h GLU 99 Cb 1.23 -0.03 -0.41 0.00 0.63 0.00 0.00 28.75 30.17 3f90 h GLU 99 CO 0.62 0.47 -0.67 -1.01 -0.73 0.00 0.00 179.01 177.69 3f90 s HIS 100 N -4.60 3.01 -0.40 0.92 3.76 -1.26 -5.08 115.29 111.65 3f90 s HIS 100 Ca -0.06 -2.97 -0.29 0.00 -0.15 0.00 0.00 55.06 51.60 3f90 s HIS 100 Cb 0.15 -2.64 0.01 0.00 1.11 0.00 0.00 32.58 31.22 3f90 s HIS 100 CO 0.75 -0.79 1.28 0.12 -0.85 0.00 0.00 174.74 175.25 3f90 s PHE 101 N 0.08 2.65 -1.29 1.40 5.36 -1.26 -4.04 117.98 120.88 3f90 s PHE 101 Ca 0.16 0.78 -0.04 0.00 -0.96 0.00 0.00 56.93 56.86 3f90 s PHE 101 Cb -0.24 -4.20 -0.01 0.00 -0.34 0.00 0.00 43.02 38.24 3f90 s PHE 101 CO -0.02 -1.62 0.65 0.00 -1.46 0.00 0.00 175.22 172.78 3f90 n GLY 103 N -1.68 -1.08 0.15 0.00 0.00 -1.26 -2.27 105.19 99.04 3f90 n GLY 103 Ca -0.26 0.03 0.13 0.00 0.00 0.00 0.00 46.02 45.92 3f90 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f90 h ALA 104 N 2.33 1.00 0.51 4.61 0.00 -1.86 -3.24 119.26 122.61 3f90 h ALA 104 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3f90 h ALA 104 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3f90 h ALA 104 CO 0.00 0.00 -0.25 0.28 0.00 0.00 0.00 179.25 179.28 3f90 h VAL 105 N 0.00 0.38 -0.74 0.00 2.07 -1.76 -1.89 116.25 114.32 3f90 h VAL 105 Ca 0.00 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.19 3f90 h VAL 105 Cb 0.75 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3f90 h VAL 105 CO 0.00 0.05 0.43 1.55 0.02 0.00 0.00 177.57 179.62 3f90 h PRO 106 N -0.96 0.77 -0.32 1.57 0.13 -1.76 -2.58 132.00 128.84 3f90 h PRO 106 Ca -0.07 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3f90 h PRO 106 Cb 0.61 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 3f90 h PRO 106 CO 0.12 0.51 0.12 0.00 -0.23 0.00 0.00 178.00 178.52 3f90 h ALA 107 N 1.37 0.37 -0.41 -0.56 0.00 -1.57 0.76 119.26 119.22 3f90 h ALA 107 Ca 0.33 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3f90 h ALA 107 Cb 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3f90 h ALA 107 CO -0.18 -0.27 0.25 0.82 0.00 0.00 0.00 179.25 179.88 3f90 h ILE 108 N 0.27 1.13 -0.62 0.00 2.04 -1.17 -0.00 117.51 119.16 3f90 h ILE 108 Ca 0.14 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3f90 h ILE 108 Cb 0.10 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3f90 h ILE 108 CO -0.13 0.13 0.40 -0.33 0.00 0.00 0.00 178.15 178.21 3f90 h GLU 109 N 0.55 0.78 0.07 2.37 5.08 -1.15 -0.39 114.58 121.88 3f90 h GLU 109 Ca 0.15 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3f90 h GLU 109 Cb -0.02 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 3f90 h GLU 109 CO -0.03 0.52 -0.05 0.93 -1.00 0.00 0.00 179.01 179.38 3f90 h GLU 110 N 0.81 -0.11 0.20 2.33 5.08 -0.38 -1.66 114.58 120.84 3f90 h GLU 110 Ca 0.23 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3f90 h GLU 110 Cb -0.06 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3f90 h GLU 110 CO -0.07 -0.08 -0.10 -0.09 -1.00 0.00 0.00 179.01 177.68 3f90 h ARG 111 N -0.12 -0.26 -0.82 2.33 9.65 -0.84 -1.76 114.38 122.57 3f90 h ARG 111 Ca -0.00 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.02 3f90 h ARG 111 Cb 0.11 0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 28.66 3f90 h ARG 111 CO -0.00 0.09 0.42 0.00 2.80 0.00 0.00 179.97 183.27 3f90 h ALA 112 N 0.04 1.20 -0.69 2.80 0.00 -1.12 0.29 119.26 121.77 3f90 h ALA 112 Ca -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3f90 h ALA 112 Cb 0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3f90 h ALA 112 CO 0.05 -0.06 0.36 -0.22 0.00 0.00 0.00 179.25 179.38 3f90 h LYS 113 N 0.64 0.97 0.00 0.00 3.64 -1.23 -0.85 116.57 119.75 3f90 h LYS 113 Ca 0.43 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3f90 h LYS 113 Cb 0.55 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3f90 h LYS 113 CO -0.33 0.74 -0.04 0.93 -2.27 0.00 0.00 179.45 178.48 3f90 h GLU 114 N 0.95 0.00 -0.66 1.90 5.08 -0.05 -2.50 114.58 119.30 3f90 h GLU 114 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3f90 h GLU 114 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3f90 h GLU 114 CO -0.04 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 3f90 n LEU 115 N -3.65 4.67 0.00 1.33 4.77 -0.53 -4.91 117.00 118.69 3f90 n LEU 115 Ca -0.03 -2.36 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 3f90 n LEU 115 Cb 0.14 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 3f90 n LEU 115 CO 0.27 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3f90 n GLY 116 N 1.12 0.79 3.86 -0.72 0.00 -0.94 -3.09 105.19 106.20 3f90 n GLY 116 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 3f90 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f90 s ALA 117 N -2.18 3.34 -0.28 4.61 0.00 -0.44 0.48 121.76 127.30 3f90 s ALA 117 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 3f90 s ALA 117 Cb 0.00 -2.73 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 3f90 s ALA 117 CO 0.00 0.22 0.08 0.99 0.00 0.00 0.00 175.76 177.04 3f90 s THR 118 N -2.12 4.04 -0.07 0.00 2.01 -0.70 -4.21 115.64 114.60 3f90 s THR 118 Ca 0.53 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 3f90 s THR 118 Cb -0.10 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 3f90 s THR 118 CO 0.23 0.15 1.38 -0.63 -0.69 0.00 0.00 174.62 175.06 3f90 s ILE 119 N 1.53 3.92 -0.13 1.82 -1.09 -1.26 -1.35 121.20 124.65 3f90 s ILE 119 Ca 0.04 1.21 0.17 0.00 -2.23 0.00 0.00 60.65 59.84 3f90 s ILE 119 Cb -0.17 -3.78 -0.25 0.00 -1.58 0.00 0.00 42.46 36.68 3f90 s ILE 119 CO 0.03 -0.05 0.42 2.30 -1.23 0.00 0.00 174.94 176.40 3f90 n ILE 120 N 5.02 0.00 -4.05 2.92 -5.35 -0.61 -4.91 119.36 112.38 3f90 n ILE 120 Ca 0.14 -0.35 -0.08 0.00 -0.27 0.00 0.00 62.75 62.18 3f90 n ILE 120 Cb 0.44 0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 38.47 3f90 n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f90 s ALA 121 N -3.10 0.37 0.27 -1.28 0.00 -1.26 -4.67 121.76 112.09 3f90 s ALA 121 Ca -0.05 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 3f90 s ALA 121 Cb 0.11 0.21 -0.09 0.00 0.00 0.00 0.00 23.12 23.34 3f90 s ALA 121 CO 0.71 -0.26 1.10 -2.00 0.00 0.00 0.00 175.76 175.30 3f90 s GLU 122 N -2.78 4.64 0.22 0.00 2.12 -1.26 -4.71 118.70 116.93 3f90 s GLU 122 Ca -0.03 1.80 -0.32 0.00 0.36 0.00 0.00 54.97 56.78 3f90 s GLU 122 Cb -0.00 -3.19 -0.14 0.00 0.26 0.00 0.00 34.13 31.05 3f90 s GLU 122 CO -0.06 0.21 1.36 0.41 -0.54 0.00 0.00 175.26 176.64 3f90 n GLY 123 N 1.24 0.62 3.60 -1.50 0.00 -1.26 -4.85 105.19 103.02 3f90 n GLY 123 Ca -0.01 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 3f90 n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f90 s LEU 124 N 0.24 4.03 -0.24 0.99 2.96 0.09 -4.98 118.68 121.78 3f90 s LEU 124 Ca 0.70 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 55.13 3f90 s LEU 124 Cb -0.70 -3.20 0.04 0.00 0.50 0.00 0.00 46.19 42.84 3f90 s LEU 124 CO 0.50 -0.83 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.05 3f90 s LYS 125 N 3.38 2.57 0.27 1.98 1.02 -1.26 -0.64 119.74 127.04 3f90 s LYS 125 Ca 0.36 -1.13 -0.04 0.00 0.02 0.00 0.00 55.97 55.18 3f90 s LYS 125 Cb -0.12 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.33 3f90 s LYS 125 CO 0.18 -0.44 0.34 0.00 -0.92 0.00 0.00 175.35 174.51 3f90 s MET 126 N 1.20 1.56 0.35 1.68 0.23 -1.09 -5.03 119.30 118.20 3f90 s MET 126 Ca -0.03 -1.61 0.08 0.00 -1.03 0.00 0.00 55.69 53.10 3f90 s MET 126 Cb -0.17 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.48 3f90 s MET 126 CO -0.07 -0.60 0.26 -1.21 -2.03 0.00 0.00 175.02 171.37 3f90 s GLU 127 N -3.73 2.61 2.64 3.16 2.02 -1.26 -1.54 118.70 122.59 3f90 s GLU 127 Ca 0.32 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 53.92 3f90 s GLU 127 Cb 0.02 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.87 3f90 s GLU 127 CO 0.15 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.91 3f90 n GLY 128 N -1.33 0.20 3.54 -1.39 0.00 -1.26 -4.66 105.19 100.29 3f90 n GLY 128 Ca -0.02 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 3f90 n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f90 n ASP 129 N -2.40 1.43 -0.01 1.61 3.85 -1.26 -4.67 116.55 115.10 3f90 n ASP 129 Ca 0.00 -2.14 0.10 0.00 -0.71 0.00 0.00 54.79 52.04 3f90 n ASP 129 Cb 0.00 -0.53 0.52 0.00 -1.35 0.00 0.00 41.12 39.76 3f90 n ASP 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3f90 h ALA 130 N -0.38 2.00 0.00 2.12 0.00 -1.81 0.19 119.26 121.38 3f90 h ALA 130 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3f90 h ALA 130 Cb 1.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3f90 h ALA 130 CO 0.33 -0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.37 3f90 n SER 131 N -4.47 0.50 0.17 0.00 3.41 -1.26 -2.58 113.62 109.39 3f90 n SER 131 Ca 0.06 0.56 0.07 0.00 -0.26 0.00 0.00 58.87 59.31 3f90 n SER 131 Cb 0.28 -0.69 0.09 0.00 -0.26 0.00 0.00 64.21 63.63 3f90 n SER 131 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3f90 h ASN 132 N 0.00 0.00 -0.63 4.04 -1.24 -0.94 -3.40 115.58 113.41 3f90 h ASN 132 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 3f90 h ASN 132 Cb 0.57 0.00 -0.22 0.00 0.73 0.00 0.00 38.32 39.40 3f90 h ASN 132 CO 0.00 0.25 -0.68 -0.67 -1.29 0.00 0.00 177.43 175.03 3f90 n ASP 133 N -3.12 -1.79 0.02 1.15 -0.08 -1.12 -4.98 116.55 106.63 3f90 n ASP 133 Ca 0.02 -3.21 0.09 0.00 -1.51 0.00 0.00 54.79 50.18 3f90 n ASP 133 Cb 0.64 1.07 0.51 0.00 2.34 0.00 0.00 41.12 45.68 3f90 n ASP 133 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3f90 h PRO 134 N 3.75 0.35 -0.10 -0.67 0.13 -1.72 -2.32 132.00 131.42 3f90 h PRO 134 Ca -0.07 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 3f90 h PRO 134 Cb 1.00 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 3f90 h PRO 134 CO 0.34 0.23 -0.05 0.93 -0.23 0.00 0.00 178.00 179.23 3f90 h GLU 135 N 0.36 0.22 -0.39 0.86 5.08 -1.94 0.42 114.58 119.19 3f90 h GLU 135 Ca 0.17 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3f90 h GLU 135 Cb 0.23 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3f90 h GLU 135 CO -0.04 0.56 0.20 0.00 -1.00 0.00 0.00 179.01 178.73 3f90 h ALA 136 N 0.65 0.50 -0.33 3.43 0.00 -1.92 -0.79 119.26 120.80 3f90 h ALA 136 Ca 0.02 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3f90 h ALA 136 Cb 0.49 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3f90 h ALA 136 CO 0.01 0.05 -0.04 0.28 0.00 0.00 0.00 179.25 179.56 3f90 h VAL 137 N 0.50 0.72 0.00 0.00 2.07 -1.37 -2.46 116.25 115.70 3f90 h VAL 137 Ca 0.14 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 3f90 h VAL 137 Cb 0.09 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3f90 h VAL 137 CO -0.02 0.01 -0.14 0.00 0.02 0.00 0.00 177.57 177.44 3f90 h ALA 138 N 1.30 0.99 -0.12 1.67 0.00 -0.56 -1.93 119.26 120.61 3f90 h ALA 138 Ca 0.16 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3f90 h ALA 138 Cb 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3f90 h ALA 138 CO -0.30 0.18 -0.74 1.03 0.00 0.00 0.00 179.25 179.41 3f90 h SER 139 N 0.00 0.87 0.04 0.00 0.87 -0.88 -2.42 113.55 112.03 3f90 h SER 139 Ca -0.00 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 3f90 h SER 139 Cb 0.74 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3f90 h SER 139 CO 0.02 1.38 -0.05 0.15 -0.53 0.00 0.00 176.83 177.80 3f90 h PHE 140 N 0.42 -0.12 -0.29 2.24 3.57 -1.00 -0.68 116.94 121.08 3f90 h PHE 140 Ca -0.06 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.48 3f90 h PHE 140 Cb 1.38 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.13 3f90 h PHE 140 CO 0.10 -0.08 0.07 0.00 -2.23 0.00 0.00 178.31 176.17 3f90 h ALA 141 N 0.86 0.31 -0.02 2.41 0.00 -1.43 -1.24 119.26 120.15 3f90 h ALA 141 Ca 0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3f90 h ALA 141 Cb 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3f90 h ALA 141 CO -0.02 -0.34 -0.04 1.49 0.00 0.00 0.00 179.25 180.34 3f90 h GLU 142 N 0.18 -0.06 -0.46 0.00 4.81 -1.22 0.16 114.58 117.98 3f90 h GLU 142 Ca 0.13 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 3f90 h GLU 142 Cb 0.13 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.43 3f90 h GLU 142 CO -0.16 -0.04 -0.23 -0.44 -0.73 0.00 0.00 179.01 177.40 3f90 h ASP 143 N -0.07 -0.80 -0.19 1.04 5.19 -0.85 -0.93 116.42 119.81 3f90 h ASP 143 Ca 0.03 0.18 0.05 0.00 -0.62 0.00 0.00 57.03 56.66 3f90 h ASP 143 Cb 0.10 0.42 -0.06 0.00 0.18 0.00 0.00 39.33 39.98 3f90 h ASP 143 CO -0.06 -0.26 -0.17 0.58 -3.12 0.00 0.00 179.24 176.21 3f90 h VAL 144 N -0.14 0.54 -0.03 -1.35 2.07 -0.40 -1.96 116.25 114.98 3f90 h VAL 144 Ca 0.21 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.74 3f90 h VAL 144 Cb 0.48 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3f90 h VAL 144 CO -0.54 0.00 0.04 -0.07 0.02 0.00 0.00 177.57 177.02 3f90 h LEU 145 N -0.18 0.00 -1.03 2.57 3.38 0.34 -0.07 115.31 120.31 3f90 h LEU 145 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3f90 h LEU 145 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3f90 h LEU 145 CO -0.30 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.34 3f90 h LYS 146 N 0.00 0.00 -0.21 1.13 1.79 -0.40 -3.04 116.57 115.84 3f90 h LYS 146 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3f90 h LYS 146 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3f90 h LYS 146 CO -0.00 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 179.41 3f90 n GLN 147 N -2.71 1.83 0.00 3.15 1.13 -0.05 -5.12 117.38 115.61 3f90 n GLN 147 Ca 0.02 -1.76 0.10 0.00 -1.94 0.00 0.00 57.00 53.41 3f90 n GLN 147 Cb 0.29 -1.32 0.08 0.00 0.11 0.00 0.00 30.24 29.40 3f90 n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90