#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 3.89 -0.09 1.43 1.02 -1.26 -1.94 119.74 122.78 3f90 s LYS 3 Ca 0.00 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.67 3f90 s LYS 3 Cb 0.00 -3.48 -0.00 0.00 -0.52 0.00 0.00 37.83 33.83 3f90 s LYS 3 CO 0.00 -0.08 -0.23 0.08 -0.92 0.00 0.00 175.35 174.20 3f90 s VAL 4 N 1.39 2.16 -0.32 3.17 1.01 -0.39 -0.39 120.40 127.03 3f90 s VAL 4 Ca 0.06 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 3f90 s VAL 4 Cb -0.15 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 3f90 s VAL 4 CO 0.06 0.56 0.16 -0.22 0.00 0.00 0.00 175.10 175.66 3f90 s LEU 5 N 0.25 4.19 -0.42 3.92 2.96 -0.40 -0.48 118.68 128.70 3f90 s LEU 5 Ca -0.15 -0.59 -0.12 0.00 -0.22 0.00 0.00 54.13 53.04 3f90 s LEU 5 Cb -0.17 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.57 3f90 s LEU 5 CO 0.08 -0.22 0.29 -0.63 -1.32 0.00 0.00 176.35 174.54 3f90 s ILE 6 N 1.60 4.73 -0.12 6.68 1.01 -0.03 0.14 121.20 135.21 3f90 s ILE 6 Ca 0.04 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 3f90 s ILE 6 Cb -0.17 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 3f90 s ILE 6 CO 0.06 -0.43 -0.03 -0.69 0.00 0.00 0.00 174.94 173.85 3f90 s VAL 7 N 1.55 4.00 0.03 2.92 1.01 0.30 -0.84 120.40 129.37 3f90 s VAL 7 Ca 0.03 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3f90 s VAL 7 Cb -0.22 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 3f90 s VAL 7 CO 0.06 0.54 -0.05 0.72 0.00 0.00 0.00 175.10 176.37 3f90 s PHE 8 N -0.16 0.44 -0.22 5.22 -0.12 -0.66 0.03 117.98 122.51 3f90 s PHE 8 Ca 0.03 -0.54 -0.03 0.00 -0.05 0.00 0.00 56.93 56.35 3f90 s PHE 8 Cb -0.13 -0.28 -0.00 0.00 -0.63 0.00 0.00 43.02 41.98 3f90 s PHE 8 CO 0.02 -0.15 -0.07 0.20 -0.05 0.00 0.00 175.22 175.17 3f90 s GLY 9 N -1.56 1.58 -0.02 1.99 0.00 0.13 -0.32 107.32 109.12 3f90 s GLY 9 Ca -0.13 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.40 3f90 s GLY 9 CO -0.01 0.41 -0.02 -0.45 0.00 0.00 0.00 173.10 173.04 3f90 s SER 10 N 1.44 0.40 -0.07 1.64 0.15 -1.26 -3.12 113.70 112.88 3f90 s SER 10 Ca 0.05 -0.05 0.08 0.00 0.70 0.00 0.00 55.95 56.74 3f90 s SER 10 Cb -0.14 -0.14 -0.11 0.00 -1.71 0.00 0.00 66.02 63.92 3f90 s SER 10 CO -0.05 -0.03 0.06 -1.20 1.20 0.00 0.00 173.24 173.23 3f90 n SER 11 N 3.55 2.85 -0.08 5.45 7.64 -1.26 -4.61 113.62 127.16 3f90 n SER 11 Ca -0.20 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.77 3f90 n SER 11 Cb 0.55 0.84 0.12 0.00 -1.01 0.00 0.00 64.21 64.70 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 -2.23 1.68 -0.62 0.44 -2.24 -1.26 -5.01 114.28 105.04 3f90 n THR 12 Ca -0.12 -1.99 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 3f90 n THR 12 Cb 0.69 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.25 1.07 0.17 3.38 0.00 -1.26 -4.93 105.19 102.37 3f90 n GLY 13 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 0.54 0.85 1.61 2.35 -1.95 -1.22 115.58 117.77 3f90 h ASN 14 Ca 0.00 -0.46 -0.13 0.00 -0.55 0.00 0.00 56.30 55.16 3f90 h ASN 14 Cb 0.00 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3f90 h ASN 14 CO 0.00 0.89 -0.61 0.74 -1.65 0.00 0.00 177.43 176.80 3f90 h THR 15 N 0.20 1.28 -0.35 2.81 2.02 -1.85 -2.15 112.91 114.87 3f90 h THR 15 Ca 0.04 -2.22 -0.12 0.00 0.77 0.00 0.00 66.41 64.88 3f90 h THR 15 Cb 0.73 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 3f90 h THR 15 CO 0.05 0.60 -0.27 -0.08 0.37 0.00 0.00 175.52 176.19 3f90 h GLU 16 N 0.00 0.72 0.00 6.66 4.81 -1.84 -1.69 114.58 123.24 3f90 h GLU 16 Ca -0.01 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 58.79 3f90 h GLU 16 Cb 1.20 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 3f90 h GLU 16 CO 0.08 0.91 -0.60 1.03 -0.73 0.00 0.00 179.01 179.70 3f90 h SER 17 N 0.62 0.00 1.23 1.04 0.87 -1.05 -0.14 113.55 116.11 3f90 h SER 17 Ca 0.08 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 3f90 h SER 17 Cb 0.78 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 3f90 h SER 17 CO 0.06 0.60 -0.50 0.40 -0.53 0.00 0.00 176.83 176.86 3f90 h ILE 18 N 0.00 0.94 0.08 2.23 2.04 -1.25 -2.90 117.51 118.65 3f90 h ILE 18 Ca -0.01 -2.08 -0.28 0.00 1.00 0.00 0.00 64.86 63.49 3f90 h ILE 18 Cb 1.13 2.29 0.02 0.00 -0.74 0.00 0.00 36.82 39.52 3f90 h ILE 18 CO 0.08 0.49 -1.15 0.00 0.00 0.00 0.00 178.15 177.57 3f90 h ALA 19 N 1.50 0.10 -0.49 1.87 0.00 -0.90 -1.81 119.26 119.52 3f90 h ALA 19 Ca -0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 3f90 h ALA 19 Cb 1.25 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3f90 h ALA 19 CO 0.07 0.74 0.20 1.96 0.00 0.00 0.00 179.25 182.22 3f90 h GLN 20 N 0.27 0.73 0.42 0.00 4.20 -1.08 0.02 115.11 119.68 3f90 h GLN 20 Ca -0.15 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 3f90 h GLN 20 Cb 1.82 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.47 3f90 h GLN 20 CO 0.22 0.65 -0.28 -0.22 -0.67 0.00 0.00 178.83 178.53 3f90 h LYS 21 N 0.66 -0.65 -0.85 1.46 1.63 -1.54 -0.66 116.57 116.61 3f90 h LYS 21 Ca 0.16 0.04 0.15 0.00 -0.85 0.00 0.00 60.65 60.16 3f90 h LYS 21 Cb 0.19 0.15 -0.10 0.00 -0.60 0.00 0.00 32.23 31.87 3f90 h LYS 21 CO -0.01 -0.43 0.43 -0.07 -3.45 0.00 0.00 179.45 175.91 3f90 h LEU 22 N -0.68 0.50 -0.08 5.20 3.38 -1.25 -0.18 115.31 122.21 3f90 h LEU 22 Ca -0.04 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3f90 h LEU 22 Cb 0.56 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3f90 h LEU 22 CO 0.03 0.19 -0.05 -0.08 0.09 0.00 0.00 178.44 178.62 3f90 h GLU 23 N 0.59 -0.06 -0.16 1.13 4.81 -0.51 -0.84 114.58 119.55 3f90 h GLU 23 Ca 0.47 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.75 3f90 h GLU 23 Cb 0.70 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 3f90 h GLU 23 CO -0.38 -0.04 -0.13 1.49 -0.73 0.00 0.00 179.01 179.22 3f90 h GLU 24 N -0.06 -0.13 -0.42 1.92 4.81 0.33 -0.75 114.58 120.27 3f90 h GLU 24 Ca 0.05 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3f90 h GLU 24 Cb 0.13 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3f90 h GLU 24 CO -0.12 -0.09 -0.06 -0.07 -0.73 0.00 0.00 179.01 177.95 3f90 h LEU 25 N -0.14 0.79 -0.85 1.64 3.38 -0.96 -1.77 115.31 117.39 3f90 h LEU 25 Ca 0.10 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 3f90 h LEU 25 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3f90 h LEU 25 CO -0.24 0.94 -0.38 0.40 0.09 0.00 0.00 178.44 179.25 3f90 h ILE 26 N 0.62 1.30 -0.28 1.22 2.04 -1.05 -2.62 117.51 118.74 3f90 h ILE 26 Ca 0.11 -1.50 -0.13 0.00 1.00 0.00 0.00 64.86 64.34 3f90 h ILE 26 Cb 0.57 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3f90 h ILE 26 CO 0.03 0.46 -0.38 0.00 0.00 0.00 0.00 178.15 178.27 3f90 h ALA 27 N 1.27 0.82 0.00 1.87 0.00 -1.02 -2.16 119.26 120.04 3f90 h ALA 27 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3f90 h ALA 27 Cb 0.82 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3f90 h ALA 27 CO 0.07 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.96 3f90 n ALA 28 N -2.51 1.82 1.33 0.00 0.00 -0.68 -0.80 120.51 119.68 3f90 n ALA 28 Ca -0.01 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3f90 n ALA 28 Cb 0.51 -1.27 0.44 0.00 0.00 0.00 0.00 19.45 19.13 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 0.16 0.23 0.16 0.00 0.00 -0.82 -4.93 105.19 99.98 3f90 n GLY 29 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.19 0.96 3.70 -0.02 0.00 0.02 -5.08 105.19 105.96 3f90 n GLY 30 Ca 0.18 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 2.95 -0.31 1.61 4.02 -1.18 -4.64 115.29 115.73 3f90 s HIS 31 Ca 0.00 -0.08 -0.23 0.00 1.02 0.00 0.00 55.06 55.77 3f90 s HIS 31 Cb 0.00 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.58 30.11 3f90 s HIS 31 CO 0.00 0.51 0.77 -1.21 1.02 0.00 0.00 174.74 175.83 3f90 s GLU 32 N -2.84 3.95 0.13 1.40 8.01 -0.82 -4.24 118.70 124.29 3f90 s GLU 32 Ca 0.28 0.55 0.06 0.00 0.01 0.00 0.00 54.97 55.86 3f90 s GLU 32 Cb -0.10 -3.73 -0.04 0.00 -4.31 0.00 0.00 34.13 25.95 3f90 s GLU 32 CO 0.20 -0.67 -0.00 0.08 0.01 0.00 0.00 175.26 174.87 3f90 s VAL 33 N 2.93 3.86 -0.09 2.63 1.01 -1.26 -1.27 120.40 128.21 3f90 s VAL 33 Ca 0.32 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3f90 s VAL 33 Cb -0.14 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.38 3f90 s VAL 33 CO 0.13 0.02 -0.10 -0.89 0.00 0.00 0.00 175.10 174.25 3f90 s THR 34 N -1.47 1.12 -0.12 3.92 2.01 0.37 -4.94 115.64 116.53 3f90 s THR 34 Ca 0.26 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.71 3f90 s THR 34 Cb -0.11 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 3f90 s THR 34 CO 0.18 0.37 0.34 -0.22 -0.69 0.00 0.00 174.62 174.60 3f90 s LEU 35 N 1.16 4.31 -0.04 4.42 2.96 -1.26 -0.85 118.68 129.38 3f90 s LEU 35 Ca -0.05 0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 54.51 3f90 s LEU 35 Cb -0.14 -2.46 0.03 0.00 0.50 0.00 0.00 46.19 44.12 3f90 s LEU 35 CO -0.02 0.15 0.03 -0.22 -1.32 0.00 0.00 176.35 174.96 3f90 s LEU 36 N 0.08 0.57 0.11 -0.68 0.20 -0.02 -4.97 118.68 113.98 3f90 s LEU 36 Ca 0.20 0.01 -0.31 0.00 0.69 0.00 0.00 54.13 54.72 3f90 s LEU 36 Cb -0.14 -0.22 -0.07 0.00 -0.43 0.00 0.00 46.19 45.33 3f90 s LEU 36 CO 0.07 -0.19 1.24 0.21 -0.29 0.00 0.00 176.35 177.39 3f90 s ASN 37 N 1.75 7.02 0.36 3.68 3.84 -1.26 -1.65 114.94 128.68 3f90 s ASN 37 Ca 0.00 2.15 0.26 0.00 0.21 0.00 0.00 52.86 55.48 3f90 s ASN 37 Cb -0.13 -2.59 1.27 0.00 -0.55 0.00 0.00 41.25 39.26 3f90 s ASN 37 CO -0.03 -0.48 1.79 0.00 -2.79 0.00 0.00 177.10 175.59 3f90 h ALA 38 N 6.31 1.00 0.00 1.71 0.00 -1.01 0.14 119.26 127.41 3f90 h ALA 38 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3f90 h ALA 38 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3f90 h ALA 38 CO 0.80 0.00 -0.23 0.00 0.00 0.00 0.00 179.25 179.82 3f90 n ALA 39 N -1.84 2.51 -0.17 0.00 0.00 -1.26 -3.55 120.51 116.20 3f90 n ALA 39 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.40 3f90 n ALA 39 Cb 0.12 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 18.38 3f90 n ALA 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3f90 n ASP 40 N -2.24 2.99 -4.90 0.00 8.00 0.46 -5.04 116.55 115.83 3f90 n ASP 40 Ca 0.05 -1.98 -0.31 0.00 0.71 0.00 0.00 54.79 53.25 3f90 n ASP 40 Cb 0.44 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 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 -0.26 2.24 0.00 -0.97 -4.92 121.76 120.66 3f90 s ALA 41 Ca 0.25 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3f90 s ALA 41 Cb 0.13 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 21.19 3f90 s ALA 41 CO 0.17 0.69 -0.08 -1.12 0.00 0.00 0.00 175.76 175.42 3f90 s SER 42 N -2.43 4.34 0.19 0.00 0.01 -1.26 -5.02 113.70 109.54 3f90 s SER 42 Ca 0.40 -1.13 -0.15 0.00 1.31 0.00 0.00 55.95 56.38 3f90 s SER 42 Cb -0.12 -1.61 0.18 0.00 0.21 0.00 0.00 66.02 64.68 3f90 s SER 42 CO 0.25 -0.16 1.63 0.00 0.41 0.00 0.00 173.24 175.37 3f90 h ALA 43 N 7.91 0.32 -0.78 1.44 0.00 -1.93 -3.37 119.26 122.86 3f90 h ALA 43 Ca -0.27 0.21 -0.65 0.00 0.00 0.00 0.00 54.91 54.20 3f90 h ALA 43 Cb 1.08 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3f90 h ALA 43 CO 0.53 -0.46 1.47 -1.91 0.00 0.00 0.00 179.25 178.88 3f90 n GLU 44 N -5.40 0.72 -2.16 0.00 4.07 -1.26 -0.52 120.64 116.09 3f90 n GLU 44 Ca 0.06 0.17 -0.15 0.00 -0.06 0.00 0.00 57.16 57.17 3f90 n GLU 44 Cb 0.30 -2.24 -0.02 0.00 -0.06 0.00 0.00 31.44 29.42 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 10.06 -4.65 -0.32 4.31 4.13 0.30 -4.92 115.26 124.16 3f90 n ASN 45 Ca 0.47 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.78 3f90 n ASN 45 Cb 0.18 -3.74 0.17 0.00 -1.54 0.00 0.00 39.78 34.85 3f90 n ASN 45 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3f90 h LEU 46 N 0.00 1.03 -0.97 3.41 5.85 -0.56 -2.38 115.31 121.69 3f90 h LEU 46 Ca -0.36 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3f90 h LEU 46 Cb 1.23 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3f90 h LEU 46 CO 0.43 0.72 0.00 0.00 -0.34 0.00 0.00 178.44 179.25 3f90 n ALA 47 N -2.39 2.52 -1.62 1.25 0.00 -0.48 -4.89 120.51 114.91 3f90 n ALA 47 Ca 0.12 -0.47 -0.46 0.00 0.00 0.00 0.00 53.44 52.62 3f90 n ALA 47 Cb 0.07 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 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 0.19 3.32 0.00 0.00 9.92 -0.90 -1.50 116.55 127.58 3f90 n ASP 48 Ca 0.15 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 55.05 3f90 n ASP 48 Cb 0.29 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.33 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 5.19 0.74 3.68 0.44 0.00 -1.26 -5.05 105.19 108.92 3f90 n GLY 49 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.20 3.39 0.43 1.61 1.51 -0.56 -4.83 117.35 116.69 3f90 s TYR 50 Ca 0.00 0.61 0.09 0.00 -1.01 0.00 0.00 57.07 56.76 3f90 s TYR 50 Cb 0.00 -2.50 0.92 0.00 -0.11 0.00 0.00 41.96 40.27 3f90 s TYR 50 CO 0.00 0.02 2.05 -0.44 -1.11 0.00 0.00 175.55 176.07 3f90 h ASP 51 N 7.28 0.34 -4.90 2.29 3.32 -1.03 -3.45 116.42 120.27 3f90 h ASP 51 Ca -0.37 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.58 3f90 h ASP 51 Cb 1.16 -0.09 -0.20 0.00 0.22 0.00 0.00 39.33 40.43 3f90 h ASP 51 CO 0.72 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 178.53 3f90 s ALA 52 N -5.27 -1.39 -0.11 3.45 0.00 -1.06 -2.72 121.76 114.67 3f90 s ALA 52 Ca -0.07 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 52.88 3f90 s ALA 52 Cb 0.17 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3f90 s ALA 52 CO 0.72 -0.32 -0.07 0.08 0.00 0.00 0.00 175.76 176.17 3f90 s VAL 53 N -1.10 0.98 -0.20 0.00 1.01 0.10 -1.27 120.40 119.92 3f90 s VAL 53 Ca -0.11 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 3f90 s VAL 53 Cb -0.02 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3f90 s VAL 53 CO 0.07 0.36 0.21 -0.76 0.00 0.00 0.00 175.10 174.98 3f90 s LEU 54 N 1.69 4.19 -0.19 3.92 1.43 0.12 -2.69 118.68 127.15 3f90 s LEU 54 Ca 0.04 0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.40 3f90 s LEU 54 Cb -0.13 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 3f90 s LEU 54 CO -0.08 0.10 -0.01 -0.36 0.23 0.00 0.00 176.35 176.24 3f90 s PHE 55 N 0.67 3.04 -0.14 0.29 0.40 0.11 -0.54 117.98 121.80 3f90 s PHE 55 Ca 0.11 -0.42 -0.02 0.00 -0.60 0.00 0.00 56.93 56.00 3f90 s PHE 55 Cb -0.13 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 3f90 s PHE 55 CO 0.02 -0.19 -0.08 0.20 0.70 0.00 0.00 175.22 175.87 3f90 s GLY 56 N 0.85 1.63 -0.21 4.36 0.00 0.10 -1.23 107.32 112.81 3f90 s GLY 56 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 43.83 3f90 s GLY 56 CO 0.02 -0.14 0.37 0.00 0.00 0.00 0.00 173.10 173.35 3f90 s SER 58 N 2.55 6.45 -0.06 0.00 1.04 -1.18 -4.37 113.70 118.12 3f90 s SER 58 Ca 0.06 1.39 -0.17 0.00 0.48 0.00 0.00 55.95 57.71 3f90 s SER 58 Cb -0.14 -2.44 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 3f90 s SER 58 CO -0.14 -0.64 0.46 0.00 0.98 0.00 0.00 173.24 173.90 3f90 s ALA 59 N -2.77 3.57 -0.35 5.32 0.00 -1.12 -3.34 121.76 123.07 3f90 s ALA 59 Ca 0.55 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.33 3f90 s ALA 59 Cb -0.10 -2.55 0.14 0.00 0.00 0.00 0.00 23.12 20.61 3f90 s ALA 59 CO 0.40 0.21 0.25 -1.58 0.00 0.00 0.00 175.76 175.04 3f90 s TRP 60 N -0.15 0.42 0.38 0.00 0.52 -1.25 -4.92 118.94 113.94 3f90 s TRP 60 Ca 0.25 -1.36 0.35 0.00 0.02 0.00 0.00 56.10 55.36 3f90 s TRP 60 Cb -0.16 -0.77 1.70 0.00 -1.15 0.00 0.00 33.47 33.09 3f90 s TRP 60 CO 0.12 -0.87 2.13 0.78 0.02 0.00 0.00 176.95 179.13 3f90 h GLY 61 N 7.12 0.00 0.00 0.98 0.00 -1.93 -3.26 103.07 105.98 3f90 h GLY 61 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3f90 h GLY 61 CO 0.26 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.83 3f90 n MET 62 N -3.28 3.29 -0.33 4.80 2.81 -1.26 -4.58 117.12 118.57 3f90 n MET 62 Ca -0.01 0.00 0.26 0.00 -1.81 0.00 0.00 57.70 56.14 3f90 n MET 62 Cb 0.22 0.00 0.42 0.00 -0.71 0.00 0.00 33.22 33.15 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 -0.01 -1.45 0.03 1.02 -1.26 -3.54 120.64 115.43 3f90 n GLU 63 Ca 0.00 0.68 -0.28 0.00 -0.02 0.00 0.00 57.16 57.53 3f90 n GLU 63 Cb 0.00 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 29.99 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 -3.52 6.81 -3.55 1.62 9.92 -1.26 -4.78 116.55 121.78 3f90 n ASP 64 Ca 0.24 -3.37 -0.24 0.00 -0.53 0.00 0.00 54.79 50.90 3f90 n ASP 64 Cb 1.00 -1.14 -0.03 0.00 -0.64 0.00 0.00 41.12 40.31 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 0.31 -0.78 0.00 0.64 4.77 -1.23 -1.61 117.00 119.10 3f90 n LEU 65 Ca 0.48 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3f90 n LEU 65 Cb 0.50 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 3f90 n LEU 65 CO 0.42 0.08 0.00 1.21 -1.33 0.00 0.00 177.39 177.78 3f90 n GLU 66 N -3.47 -0.36 -3.92 3.23 2.13 -1.23 -4.94 120.64 112.08 3f90 n GLU 66 Ca 0.04 0.07 -0.24 0.00 0.66 0.00 0.00 57.16 57.70 3f90 n GLU 66 Cb 0.49 -3.99 -0.05 0.00 0.27 0.00 0.00 31.44 28.17 3f90 n GLU 66 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3f90 s MET 67 N -0.97 2.33 0.10 5.31 -1.94 -0.64 -3.79 119.30 119.71 3f90 s MET 67 Ca 0.00 -1.81 -0.30 0.00 -1.71 0.00 0.00 55.69 51.87 3f90 s MET 67 Cb 0.00 -2.12 -0.06 0.00 2.01 0.00 0.00 34.83 34.67 3f90 s MET 67 CO 0.00 -0.26 1.00 -1.14 -0.01 0.00 0.00 175.02 174.61 3f90 s GLN 68 N -4.06 4.64 0.00 2.03 -0.44 -1.21 -4.54 119.66 116.08 3f90 s GLN 68 Ca 0.41 1.51 0.00 0.00 -2.50 0.00 0.00 55.36 54.78 3f90 s GLN 68 Cb 0.00 -3.37 0.00 0.00 -1.64 0.00 0.00 33.01 28.00 3f90 s GLN 68 CO 0.23 0.12 0.13 -0.25 0.50 0.00 0.00 175.29 176.02 3f90 n ASP 69 N 2.98 0.00 0.20 6.67 10.43 -1.26 -0.81 116.55 134.76 3f90 n ASP 69 Ca 0.03 0.13 0.06 0.00 2.57 0.00 0.00 54.79 57.59 3f90 n ASP 69 Cb 0.49 -0.05 0.43 0.00 1.84 0.00 0.00 41.12 43.83 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 0.16 -2.24 3.32 -1.94 -2.98 116.42 112.75 3f90 h ASP 70 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 3f90 h ASP 70 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 3f90 h ASP 70 CO 0.00 0.32 -1.16 0.15 -1.72 0.00 0.00 179.24 176.83 3f90 h PHE 71 N 0.00 0.93 -0.98 4.55 3.57 -1.24 -3.25 116.94 120.53 3f90 h PHE 71 Ca -0.00 -0.56 0.12 0.00 3.53 0.00 0.00 57.97 61.06 3f90 h PHE 71 Cb 0.69 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.26 3f90 h PHE 71 CO 0.00 1.40 0.61 1.25 -2.23 0.00 0.00 178.31 179.34 3f90 h LEU 72 N 0.29 0.89 -1.20 0.59 5.85 -0.94 0.44 115.31 121.23 3f90 h LEU 72 Ca -0.16 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3f90 h LEU 72 Cb 1.82 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.71 3f90 h LEU 72 CO 0.22 0.47 0.15 0.28 -0.34 0.00 0.00 178.44 179.21 3f90 h SER 73 N 0.96 0.64 0.18 1.25 0.02 -1.60 -1.89 113.55 113.10 3f90 h SER 73 Ca 0.49 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.34 3f90 h SER 73 Cb 0.50 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3f90 h SER 73 CO -0.27 0.62 -0.09 0.25 -1.14 0.00 0.00 176.83 176.20 3f90 h LEU 74 N 0.69 -0.20 -1.53 5.07 5.85 -0.99 -3.33 115.31 120.86 3f90 h LEU 74 Ca 0.16 -0.27 0.25 0.00 0.84 0.00 0.00 57.88 58.85 3f90 h LEU 74 Cb 0.21 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 3f90 h LEU 74 CO -0.01 0.35 0.66 0.15 -0.34 0.00 0.00 178.44 179.25 3f90 h PHE 75 N -0.95 0.50 0.00 1.25 3.57 -0.18 0.91 116.94 122.04 3f90 h PHE 75 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3f90 h PHE 75 Cb 0.46 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3f90 h PHE 75 CO 0.07 0.08 0.00 0.39 -2.23 0.00 0.00 178.31 176.62 3f90 n GLU 76 N -4.51 0.07 -0.55 1.11 1.02 -0.72 -2.17 120.64 114.91 3f90 n GLU 76 Ca 0.22 0.36 0.07 0.00 -0.02 0.00 0.00 57.16 57.79 3f90 n GLU 76 Cb 0.85 -1.65 0.16 0.00 -0.02 0.00 0.00 31.44 30.77 3f90 n GLU 76 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3f90 n GLU 77 N -1.79 1.25 -0.30 3.49 1.02 0.31 -4.79 120.64 119.82 3f90 n GLU 77 Ca 0.02 -2.85 0.18 0.00 -0.02 0.00 0.00 57.16 54.50 3f90 n GLU 77 Cb 0.16 -1.35 0.45 0.00 -0.02 0.00 0.00 31.44 30.68 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 0.67 0.75 0.00 -0.32 -1.00 -0.98 -1.68 116.94 114.38 3f90 h PHE 78 Ca -0.02 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3f90 h PHE 78 Cb 1.12 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.45 3f90 h PHE 78 CO 0.45 0.15 0.00 -0.40 -1.61 0.00 0.00 178.31 176.90 3f90 n ASP 79 N -4.62 0.00 -0.66 2.17 5.75 -1.26 -1.66 116.55 116.26 3f90 n ASP 79 Ca 0.22 -0.03 0.12 0.00 -0.01 0.00 0.00 54.79 55.09 3f90 n ASP 79 Cb 0.71 -0.27 0.11 0.00 -1.03 0.00 0.00 41.12 40.63 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 -1.27 1.66 0.11 0.11 1.74 -0.63 -4.54 116.66 113.84 3f90 n ARG 80 Ca 0.10 -1.33 -0.01 0.00 -0.77 0.00 0.00 57.85 55.84 3f90 n ARG 80 Cb 0.16 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 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 3.24 1.23 -0.31 0.55 2.04 -1.40 0.88 117.51 123.74 3f90 h ILE 81 Ca 0.00 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 63.19 3f90 h ILE 81 Cb 0.82 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 3f90 h ILE 81 CO 0.00 0.69 0.00 0.61 0.00 0.00 0.00 178.15 179.45 3f90 n GLY 82 N 1.18 1.04 0.00 5.37 0.00 -1.26 -1.38 105.19 110.15 3f90 n GLY 82 Ca 0.01 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.15 0.00 -4.69 0.99 4.77 -1.26 -4.80 117.00 111.85 3f90 n LEU 83 Ca 0.00 0.40 -0.42 0.00 -0.03 0.00 0.00 56.01 55.96 3f90 n LEU 83 Cb 0.27 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3f90 n LEU 83 CO 0.00 -0.08 1.44 0.00 -1.33 0.00 0.00 177.39 177.42 3f90 s ALA 84 N -2.80 3.77 -1.41 -1.18 0.00 -1.21 -2.08 121.76 116.86 3f90 s ALA 84 Ca 0.17 1.43 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 3f90 s ALA 84 Cb 0.16 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3f90 s ALA 84 CO 0.40 -1.17 0.04 0.41 0.00 0.00 0.00 175.76 175.44 3f90 n GLY 85 N 4.17 -0.31 3.46 0.00 0.00 -0.16 -4.89 105.19 107.46 3f90 n GLY 85 Ca 0.17 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.88 1.67 -0.02 1.61 0.52 -0.88 -4.95 118.95 112.02 3f90 s ARG 86 Ca 0.02 -1.56 -0.28 0.00 -0.52 0.00 0.00 55.73 53.39 3f90 s ARG 86 Cb -0.01 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 3f90 s ARG 86 CO 0.02 0.38 0.90 0.15 0.02 0.00 0.00 175.30 176.78 3f90 s LYS 87 N -2.96 4.53 0.08 3.54 1.02 -1.10 -0.73 119.74 124.10 3f90 s LYS 87 Ca 0.24 1.27 0.03 0.00 0.02 0.00 0.00 55.97 57.53 3f90 s LYS 87 Cb -0.07 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 3f90 s LYS 87 CO 0.12 -0.01 -0.09 0.08 -0.92 0.00 0.00 175.35 174.53 3f90 s VAL 88 N 0.92 0.78 0.14 3.17 1.01 0.65 0.02 120.40 127.10 3f90 s VAL 88 Ca 0.48 -1.51 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 3f90 s VAL 88 Cb -0.20 -1.18 0.07 0.00 0.00 0.00 0.00 36.38 35.07 3f90 s VAL 88 CO 0.25 -0.55 0.68 0.00 0.00 0.00 0.00 175.10 175.49 3f90 s ALA 89 N -2.29 -1.60 0.02 5.51 0.00 -1.09 -1.15 121.76 121.15 3f90 s ALA 89 Ca 0.02 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.47 3f90 s ALA 89 Cb -0.04 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 3f90 s ALA 89 CO -0.01 -0.80 -0.08 0.00 0.00 0.00 0.00 175.76 174.88 3f90 s ALA 90 N -3.63 0.61 0.24 0.00 0.00 -1.26 -0.72 121.76 117.00 3f90 s ALA 90 Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3f90 s ALA 90 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3f90 s ALA 90 CO -0.09 0.09 0.13 -0.59 0.00 0.00 0.00 175.76 175.29 3f90 s PHE 91 N -0.64 1.40 -0.08 0.00 -0.71 -0.37 -0.75 117.98 116.83 3f90 s PHE 91 Ca -0.02 -1.31 -0.30 0.00 -1.04 0.00 0.00 56.93 54.26 3f90 s PHE 91 Cb -0.06 -0.74 0.11 0.00 -1.21 0.00 0.00 43.02 41.12 3f90 s PHE 91 CO 0.00 -0.51 0.94 0.00 -1.34 0.00 0.00 175.22 174.31 3f90 s ALA 92 N -3.89 -1.88 -0.04 1.99 0.00 0.14 -2.29 121.76 115.79 3f90 s ALA 92 Ca 0.38 1.27 0.02 0.00 0.00 0.00 0.00 51.96 53.63 3f90 s ALA 92 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3f90 s ALA 92 CO 0.14 -0.53 -0.07 0.45 0.00 0.00 0.00 175.76 175.75 3f90 s SER 93 N -1.91 4.60 0.00 0.00 0.15 -1.26 -2.79 113.70 112.49 3f90 s SER 93 Ca 0.02 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.59 3f90 s SER 93 Cb -0.01 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 3f90 s SER 93 CO -0.04 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.34 3f90 n GLY 94 N 1.94 1.93 2.96 9.45 0.00 -0.80 -2.79 105.19 117.89 3f90 n GLY 94 Ca -0.17 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.79 2.04 0.57 1.61 -1.08 -1.26 -4.07 116.67 113.69 3f90 s ASP 95 Ca 0.00 -0.31 0.28 0.00 -0.52 0.00 0.00 52.55 52.00 3f90 s ASP 95 Cb 0.00 -0.85 1.72 0.00 -1.46 0.00 0.00 42.92 42.33 3f90 s ASP 95 CO 0.00 -0.05 2.23 1.56 0.52 0.00 0.00 175.17 179.42 3f90 h GLN 96 N 7.67 0.00 0.00 4.34 1.08 -1.96 -2.52 115.11 123.71 3f90 h GLN 96 Ca -0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 3f90 h GLN 96 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3f90 h GLN 96 CO 0.44 0.01 0.00 0.39 -0.95 0.00 0.00 178.83 178.73 3f90 n GLU 97 N -3.92 0.43 -3.97 1.46 1.02 -1.26 -4.67 120.64 109.73 3f90 n GLU 97 Ca -0.03 0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.94 3f90 n GLU 97 Cb 0.10 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.18 3.44 0.18 -0.32 1.51 -0.95 -5.02 117.35 114.00 3f90 s TYR 98 Ca 0.22 -0.02 -0.13 0.00 -1.01 0.00 0.00 57.07 56.13 3f90 s TYR 98 Cb 0.11 -1.57 0.08 0.00 -0.11 0.00 0.00 41.96 40.47 3f90 s TYR 98 CO 0.21 0.45 1.79 1.49 -1.11 0.00 0.00 175.55 178.38 3f90 h GLU 99 N 1.23 0.81 -4.70 -0.62 4.81 -1.88 -3.39 114.58 110.85 3f90 h GLU 99 Ca -0.52 -0.09 -0.69 0.00 -0.13 0.00 0.00 59.36 57.94 3f90 h GLU 99 Cb 1.23 -0.16 -0.33 0.00 0.63 0.00 0.00 28.75 30.11 3f90 h GLU 99 CO 0.61 0.61 -0.66 -1.01 -0.73 0.00 0.00 179.01 177.83 3f90 s HIS 100 N -5.88 3.36 -0.34 0.92 3.76 -1.26 -5.07 115.29 110.78 3f90 s HIS 100 Ca -0.13 -2.02 -0.21 0.00 -0.15 0.00 0.00 55.06 52.55 3f90 s HIS 100 Cb 0.13 -2.40 -0.00 0.00 1.11 0.00 0.00 32.58 31.42 3f90 s HIS 100 CO 0.77 -0.84 0.66 0.12 -0.85 0.00 0.00 174.74 174.59 3f90 s PHE 101 N 1.22 3.17 -1.40 1.40 5.36 -1.26 -4.39 117.98 122.08 3f90 s PHE 101 Ca -0.01 0.47 -0.01 0.00 -0.96 0.00 0.00 56.93 56.41 3f90 s PHE 101 Cb -0.20 -3.13 0.01 0.00 -0.34 0.00 0.00 43.02 39.36 3f90 s PHE 101 CO -0.02 -0.59 0.52 0.00 -1.46 0.00 0.00 175.22 173.68 3f90 h GLY 103 N -1.84 0.00 2.00 0.00 0.00 -1.93 -2.38 103.07 98.93 3f90 h GLY 103 Ca -0.62 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 3f90 h GLY 103 CO 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 177.08 3f90 h ALA 104 N 2.12 1.08 0.35 3.60 0.00 -1.86 -3.01 119.26 121.54 3f90 h ALA 104 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3f90 h ALA 104 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3f90 h ALA 104 CO 0.00 0.10 -0.17 0.28 0.00 0.00 0.00 179.25 179.46 3f90 h VAL 105 N 0.00 0.60 -0.79 0.00 2.07 -1.73 0.09 116.25 116.48 3f90 h VAL 105 Ca -0.00 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.95 3f90 h VAL 105 Cb 0.43 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3f90 h VAL 105 CO 0.01 0.10 0.52 1.55 0.02 0.00 0.00 177.57 179.77 3f90 h PRO 106 N -0.83 1.01 -0.63 1.57 0.13 -1.77 -2.10 132.00 129.39 3f90 h PRO 106 Ca -0.05 -0.06 0.13 0.00 -0.87 0.00 0.00 66.00 65.15 3f90 h PRO 106 Cb 0.53 -0.23 -0.10 0.00 0.13 0.00 0.00 31.00 31.33 3f90 h PRO 106 CO 0.08 0.67 0.05 0.00 -0.23 0.00 0.00 178.00 178.57 3f90 h ALA 107 N 1.31 0.68 -0.10 -0.56 0.00 -1.38 0.13 119.26 119.35 3f90 h ALA 107 Ca 0.30 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 3f90 h ALA 107 Cb -0.07 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3f90 h ALA 107 CO -0.08 -0.37 -0.05 0.82 0.00 0.00 0.00 179.25 179.57 3f90 h ILE 108 N 0.17 1.33 -0.02 0.00 2.04 -0.74 -1.83 117.51 118.46 3f90 h ILE 108 Ca 0.33 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 65.12 3f90 h ILE 108 Cb 0.54 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3f90 h ILE 108 CO -0.50 0.31 -0.07 -0.33 0.00 0.00 0.00 178.15 177.55 3f90 h GLU 109 N -0.17 -0.12 -0.24 2.37 5.08 -1.01 0.17 114.58 120.66 3f90 h GLU 109 Ca 0.02 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3f90 h GLU 109 Cb 0.51 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 3f90 h GLU 109 CO 0.02 -0.08 -0.48 0.93 -1.00 0.00 0.00 179.01 178.40 3f90 h GLU 110 N -0.12 -0.45 0.03 2.33 5.08 -0.76 -0.16 114.58 120.53 3f90 h GLU 110 Ca 0.04 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3f90 h GLU 110 Cb 0.17 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3f90 h GLU 110 CO -0.09 -0.30 -0.01 -0.09 -1.00 0.00 0.00 179.01 177.51 3f90 h ARG 111 N -0.47 -0.03 -0.82 2.33 9.65 -1.01 -1.47 114.38 122.56 3f90 h ARG 111 Ca 0.08 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 3f90 h ARG 111 Cb 0.63 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.16 3f90 h ARG 111 CO -0.48 0.09 0.49 0.00 2.80 0.00 0.00 179.97 182.86 3f90 h ALA 112 N 0.83 1.14 -0.60 2.80 0.00 -0.89 -2.25 119.26 120.28 3f90 h ALA 112 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3f90 h ALA 112 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3f90 h ALA 112 CO 0.01 0.19 0.08 -0.22 0.00 0.00 0.00 179.25 179.31 3f90 h LYS 113 N 0.88 0.98 0.00 0.00 3.64 -0.70 -0.89 116.57 120.47 3f90 h LYS 113 Ca 0.37 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3f90 h LYS 113 Cb 0.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3f90 h LYS 113 CO -0.20 0.92 0.00 0.93 -2.27 0.00 0.00 179.45 178.83 3f90 h GLU 114 N 0.92 0.00 -0.65 1.90 5.08 -0.72 -2.66 114.58 118.45 3f90 h GLU 114 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3f90 h GLU 114 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3f90 h GLU 114 CO 0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.30 3f90 n LEU 115 N -3.06 4.48 0.00 1.33 4.77 -0.42 -4.90 117.00 119.20 3f90 n LEU 115 Ca -0.01 -2.26 0.00 0.00 -0.03 0.00 0.00 56.01 53.71 3f90 n LEU 115 Cb 0.22 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3f90 n LEU 115 CO 0.24 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3f90 n GLY 116 N 1.12 0.75 3.87 -0.72 0.00 -1.00 -3.28 105.19 105.93 3f90 n GLY 116 Ca 0.24 0.00 -0.30 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 -2.63 3.18 -0.19 4.61 0.00 -0.71 -0.99 121.76 125.03 3f90 s ALA 117 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 3f90 s ALA 117 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 3f90 s ALA 117 CO 0.00 -0.50 -0.03 0.99 0.00 0.00 0.00 175.76 176.23 3f90 s THR 118 N -2.94 3.74 -0.49 0.00 2.01 0.09 -4.35 115.64 113.70 3f90 s THR 118 Ca 0.54 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 3f90 s THR 118 Cb -0.11 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.76 3f90 s THR 118 CO 0.47 0.44 1.14 -0.63 -0.69 0.00 0.00 174.62 175.35 3f90 s ILE 119 N 0.97 4.19 -0.46 1.82 -1.09 -1.26 -0.25 121.20 125.12 3f90 s ILE 119 Ca 0.01 1.18 0.22 0.00 -2.23 0.00 0.00 60.65 59.83 3f90 s ILE 119 Cb -0.14 -4.61 -0.16 0.00 -1.58 0.00 0.00 42.46 35.97 3f90 s ILE 119 CO 0.01 -1.04 0.90 2.30 -1.23 0.00 0.00 174.94 175.89 3f90 n ILE 120 N 6.83 0.18 -3.94 2.92 -5.35 -0.30 -4.93 119.36 114.77 3f90 n ILE 120 Ca 0.12 -0.32 -0.10 0.00 -0.27 0.00 0.00 62.75 62.18 3f90 n ILE 120 Cb 0.49 0.15 -0.10 0.00 -1.74 0.00 0.00 39.64 38.44 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 -3.27 -0.05 0.33 -1.28 0.00 -1.26 -4.71 121.76 111.53 3f90 s ALA 121 Ca 0.01 -0.49 -0.28 0.00 0.00 0.00 0.00 51.96 51.20 3f90 s ALA 121 Cb 0.14 0.18 -0.10 0.00 0.00 0.00 0.00 23.12 23.34 3f90 s ALA 121 CO 0.83 -0.24 1.20 -2.00 0.00 0.00 0.00 175.76 175.55 3f90 s GLU 122 N -1.97 4.36 0.21 0.00 2.12 -1.26 -4.70 118.70 117.46 3f90 s GLU 122 Ca -0.11 1.98 -0.32 0.00 0.36 0.00 0.00 54.97 56.89 3f90 s GLU 122 Cb -0.05 -3.00 -0.14 0.00 0.26 0.00 0.00 34.13 31.20 3f90 s GLU 122 CO -0.02 -0.10 1.44 0.41 -0.54 0.00 0.00 175.26 176.45 3f90 n GLY 123 N 0.87 0.82 3.57 -1.50 0.00 -1.26 -4.85 105.19 102.84 3f90 n GLY 123 Ca 0.01 0.54 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 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 0.31 4.18 -0.21 0.99 2.96 0.07 -4.98 118.68 122.00 3f90 s LEU 124 Ca 0.71 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.74 3f90 s LEU 124 Cb -0.67 -3.00 0.01 0.00 0.50 0.00 0.00 46.19 43.03 3f90 s LEU 124 CO 0.47 -0.82 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.03 3f90 s LYS 125 N 3.20 3.13 0.16 1.98 1.02 -1.26 -0.69 119.74 127.28 3f90 s LYS 125 Ca 0.31 -0.77 -0.15 0.00 0.02 0.00 0.00 55.97 55.38 3f90 s LYS 125 Cb -0.13 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.37 3f90 s LYS 125 CO 0.20 -0.24 0.41 0.00 -0.92 0.00 0.00 175.35 174.80 3f90 s MET 126 N 1.38 1.20 0.45 1.68 0.23 -1.12 -5.02 119.30 118.10 3f90 s MET 126 Ca 0.04 -0.89 0.04 0.00 -1.03 0.00 0.00 55.69 53.85 3f90 s MET 126 Cb -0.14 0.46 0.01 0.00 -1.53 0.00 0.00 34.83 33.63 3f90 s MET 126 CO -0.07 -0.48 0.64 -1.21 -2.03 0.00 0.00 175.02 171.87 3f90 s GLU 127 N -3.87 2.84 2.76 3.16 2.02 -1.26 -1.90 118.70 122.45 3f90 s GLU 127 Ca 0.09 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.18 3f90 s GLU 127 Cb 0.01 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.60 3f90 s GLU 127 CO -0.06 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.28 3f90 n GLY 128 N -2.02 0.91 3.22 -1.39 0.00 -1.26 -4.62 105.19 100.04 3f90 n GLY 128 Ca 0.05 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.12 1.73 0.03 1.61 3.85 -1.26 -4.76 116.55 114.63 3f90 n ASP 129 Ca 0.00 -2.26 0.22 0.00 -0.71 0.00 0.00 54.79 52.03 3f90 n ASP 129 Cb 0.00 -0.35 0.73 0.00 -1.35 0.00 0.00 41.12 40.15 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 0.18 2.33 0.00 2.12 0.00 -1.77 0.34 119.26 122.46 3f90 h ALA 130 Ca -0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3f90 h ALA 130 Cb 1.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3f90 h ALA 130 CO 0.32 -0.72 -0.61 0.66 0.00 0.00 0.00 179.25 178.90 3f90 h SER 131 N 0.00 0.00 0.41 0.00 4.64 -1.93 -3.09 113.55 113.58 3f90 h SER 131 Ca 0.24 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.46 3f90 h SER 131 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3f90 h SER 131 CO -0.00 0.03 -0.46 -1.13 -0.87 0.00 0.00 176.83 174.40 3f90 h ASN 132 N 0.00 0.06 -1.25 4.97 -1.24 -0.63 -3.36 115.58 114.12 3f90 h ASN 132 Ca -0.01 -0.03 -0.43 0.00 0.71 0.00 0.00 56.30 56.55 3f90 h ASN 132 Cb 1.03 -0.02 -0.30 0.00 0.73 0.00 0.00 38.32 39.77 3f90 h ASN 132 CO 0.00 0.51 -0.87 -0.67 -1.29 0.00 0.00 177.43 175.11 3f90 n ASP 133 N -3.99 -1.02 -0.12 1.15 -0.08 -1.20 -4.98 116.55 106.31 3f90 n ASP 133 Ca -0.02 -2.92 0.03 0.00 -1.51 0.00 0.00 54.79 50.38 3f90 n ASP 133 Cb 0.49 0.30 0.34 0.00 2.34 0.00 0.00 41.12 44.59 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 4.03 0.75 -0.27 -0.67 0.13 -1.70 -2.55 132.00 131.73 3f90 h PRO 134 Ca -0.01 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 3f90 h PRO 134 Cb 0.94 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3f90 h PRO 134 CO 0.41 0.50 0.04 0.93 -0.23 0.00 0.00 178.00 179.64 3f90 h GLU 135 N 0.78 0.44 -0.04 0.86 5.08 -1.93 0.78 114.58 120.55 3f90 h GLU 135 Ca 0.23 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3f90 h GLU 135 Cb -0.02 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3f90 h GLU 135 CO -0.06 0.57 0.02 0.00 -1.00 0.00 0.00 179.01 178.54 3f90 h ALA 136 N 0.86 0.05 -0.15 3.43 0.00 -1.93 -1.29 119.26 120.24 3f90 h ALA 136 Ca 0.08 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3f90 h ALA 136 Cb 0.34 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3f90 h ALA 136 CO 0.01 -0.42 -0.33 0.28 0.00 0.00 0.00 179.25 178.78 3f90 h VAL 137 N -0.00 0.27 -0.91 0.00 2.07 -1.33 -2.22 116.25 114.13 3f90 h VAL 137 Ca 0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.65 3f90 h VAL 137 Cb 0.06 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.01 3f90 h VAL 137 CO -0.00 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.13 3f90 h ALA 138 N 0.41 1.36 -0.11 1.67 0.00 -0.63 -1.35 119.26 120.61 3f90 h ALA 138 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3f90 h ALA 138 Cb 0.55 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3f90 h ALA 138 CO -0.37 0.12 0.02 1.03 0.00 0.00 0.00 179.25 180.05 3f90 h SER 139 N 0.85 0.00 -0.45 0.00 0.87 -0.72 -1.31 113.55 112.79 3f90 h SER 139 Ca 0.46 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 61.11 3f90 h SER 139 Cb 0.48 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.40 3f90 h SER 139 CO -0.28 0.02 0.05 0.15 -0.53 0.00 0.00 176.83 176.24 3f90 h PHE 140 N 0.07 0.06 0.09 2.24 3.57 -0.70 0.11 116.94 122.38 3f90 h PHE 140 Ca 0.05 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3f90 h PHE 140 Cb 0.04 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3f90 h PHE 140 CO -0.12 -0.05 -0.13 0.00 -2.23 0.00 0.00 178.31 175.79 3f90 h ALA 141 N 1.37 -0.23 -0.31 2.41 0.00 -1.02 -0.70 119.26 120.78 3f90 h ALA 141 Ca 0.22 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3f90 h ALA 141 Cb 0.31 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3f90 h ALA 141 CO -0.33 -0.65 0.14 1.49 0.00 0.00 0.00 179.25 179.90 3f90 h GLU 142 N -0.27 0.29 -0.55 0.00 4.81 -0.90 0.62 114.58 118.59 3f90 h GLU 142 Ca 0.02 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3f90 h GLU 142 Cb 0.28 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3f90 h GLU 142 CO -0.06 0.19 0.37 -0.44 -0.73 0.00 0.00 179.01 178.34 3f90 h ASP 143 N 0.30 0.26 0.03 1.04 5.19 -0.55 0.07 116.42 122.77 3f90 h ASP 143 Ca 0.13 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.48 3f90 h ASP 143 Cb 0.06 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.53 3f90 h ASP 143 CO -0.10 0.16 -0.30 0.58 -3.12 0.00 0.00 179.24 176.46 3f90 h VAL 144 N 0.29 1.63 -0.35 -1.35 2.07 0.01 -3.33 116.25 115.22 3f90 h VAL 144 Ca 0.25 -2.22 0.10 0.00 0.82 0.00 0.00 66.70 65.65 3f90 h VAL 144 Cb 0.62 3.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 3f90 h VAL 144 CO -0.06 0.60 0.25 -0.07 0.02 0.00 0.00 177.57 178.32 3f90 h LEU 145 N -0.64 0.00 -1.48 2.57 3.38 0.11 -0.23 115.31 119.02 3f90 h LEU 145 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3f90 h LEU 145 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3f90 h LEU 145 CO 0.06 0.00 -0.08 0.11 0.09 0.00 0.00 178.44 178.61 3f90 h LYS 146 N 0.00 0.00 -0.02 1.13 1.79 -1.12 -2.90 116.57 115.44 3f90 h LYS 146 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3f90 h LYS 146 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 3f90 h LYS 146 CO -0.00 0.08 -0.29 1.04 -1.08 0.00 0.00 179.45 179.20 3f90 n GLN 147 N -3.25 1.63 0.00 3.15 1.13 -0.11 -5.12 117.38 114.81 3f90 n GLN 147 Ca -0.00 -1.34 0.12 0.00 -1.94 0.00 0.00 57.00 53.84 3f90 n GLN 147 Cb 0.32 -1.46 0.10 0.00 0.11 0.00 0.00 30.24 29.31 3f90 n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90