#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1s s GLU 8 N 0.00 1.04 0.29 1.97 -1.05 -1.26 -4.60 118.70 115.08 1s1s s GLU 8 Ca 0.00 -0.68 -0.21 0.00 -0.15 0.00 0.00 54.97 53.94 1s1s s GLU 8 Cb 0.00 0.46 0.02 0.00 -0.44 0.00 0.00 34.13 34.17 1s1s s GLU 8 CO 0.00 -0.40 0.73 0.00 0.95 0.00 0.00 175.26 176.54 1s1s s ALA 9 N -3.65 -1.19 -0.11 -0.84 0.00 0.10 -4.97 121.76 111.10 1s1s s ALA 9 Ca 0.02 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1s1s s ALA 9 Cb 0.02 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1s1s s ALA 9 CO -0.11 -1.04 -0.18 0.08 0.00 0.00 0.00 175.76 174.52 1s1s s VAL 10 N -3.77 1.66 -0.34 0.00 1.01 -1.26 -0.58 120.40 117.12 1s1s s VAL 10 Ca 0.11 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1s1s s VAL 10 Cb -0.06 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 1s1s s VAL 10 CO 0.07 0.47 0.61 -0.63 0.00 0.00 0.00 175.10 175.63 1s1s s ILE 11 N 0.85 4.92 -0.07 2.22 -1.09 -0.53 -4.92 121.20 122.58 1s1s s ILE 11 Ca -0.09 0.60 0.05 0.00 -2.23 0.00 0.00 60.65 58.98 1s1s s ILE 11 Cb -0.15 -4.04 -0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1s1s s ILE 11 CO -0.00 -0.26 -0.23 -0.63 -1.23 0.00 0.00 174.94 172.59 1s1s s ILE 12 N 2.63 1.90 0.04 2.92 1.01 -1.26 -1.00 121.20 127.45 1s1s s ILE 12 Ca 0.23 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1s1s s ILE 12 Cb -0.15 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1s1s s ILE 12 CO 0.14 0.53 0.02 0.00 0.00 0.00 0.00 174.94 175.63 1s1s s MET 13 N 0.10 0.55 0.28 2.79 0.23 -0.65 -2.79 119.30 119.81 1s1s s MET 13 Ca -0.10 -0.94 0.10 0.00 -1.03 0.00 0.00 55.69 53.73 1s1s s MET 13 Cb -0.15 0.20 -0.05 0.00 -1.53 0.00 0.00 34.83 33.30 1s1s s MET 13 CO 0.05 -0.12 -0.16 -0.80 -2.03 0.00 0.00 175.02 171.97 1s1s s ASN 14 N -2.37 3.38 -0.29 -1.18 0.01 0.15 -1.15 114.94 113.49 1s1s s ASN 14 Ca -0.02 -1.08 0.01 0.00 -0.71 0.00 0.00 52.86 51.07 1s1s s ASN 14 Cb 0.01 -0.27 0.09 0.00 0.41 0.00 0.00 41.25 41.49 1s1s s ASN 14 CO -0.07 -0.08 0.03 -0.69 -1.51 0.00 0.00 177.10 174.79 1s1s s VAL 15 N -2.65 1.51 0.20 1.60 1.01 -0.18 -0.55 120.40 121.34 1s1s s VAL 15 Ca 0.29 -1.62 0.10 0.00 0.00 0.00 0.00 61.98 60.75 1s1s s VAL 15 Cb -0.02 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1s1s s VAL 15 CO 0.14 -0.46 -0.16 0.00 0.00 0.00 0.00 175.10 174.62 1s1s s ALA 16 N 1.33 2.77 0.65 5.51 0.00 0.51 -1.00 121.76 131.52 1s1s s ALA 16 Ca 0.05 -1.58 -0.11 0.00 0.00 0.00 0.00 51.96 50.31 1s1s s ALA 16 Cb -0.18 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1s1s s ALA 16 CO -0.13 0.43 1.04 0.00 0.00 0.00 0.00 175.76 177.10 1s1s s ALA 17 N -1.78 2.90 0.56 0.00 0.00 -0.81 0.45 121.76 123.08 1s1s s ALA 17 Ca 0.24 0.01 -0.21 0.00 0.00 0.00 0.00 51.96 52.01 1s1s s ALA 17 Cb -0.08 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1s1s s ALA 17 CO 0.13 -0.91 1.29 -1.01 0.00 0.00 0.00 175.76 175.25 1s1s s HIS 18 N -3.08 2.35 -0.14 0.00 0.09 -1.26 -4.81 115.29 108.44 1s1s s HIS 18 Ca 0.57 1.45 -0.37 0.00 -0.00 0.00 0.00 55.06 56.71 1s1s s HIS 18 Cb -0.12 -3.65 -0.14 0.00 -0.00 0.00 0.00 32.58 28.66 1s1s s HIS 18 CO 0.53 -2.56 1.76 1.58 -0.00 0.00 0.00 174.74 176.05 1s1s n HIS 19 N -1.24 2.14 0.00 1.40 -0.00 -1.26 -1.96 115.22 114.31 1s1s n HIS 19 Ca 0.12 0.30 0.00 0.00 0.46 0.00 0.00 57.72 58.59 1s1s n HIS 19 Cb 0.47 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 27.80 1s1s n HIS 19 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1s1s n GLY 20 N 4.10 0.73 1.67 1.57 0.00 -1.26 -5.09 105.19 106.92 1s1s n GLY 20 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1s1s n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s1s n SER 21 N 0.00 0.04 -4.10 1.61 3.41 -0.83 -5.18 113.62 108.57 1s1s n SER 21 Ca 0.00 -2.13 -0.11 0.00 -0.26 0.00 0.00 58.87 56.38 1s1s n SER 21 Cb 0.00 0.77 -0.11 0.00 -0.26 0.00 0.00 64.21 64.61 1s1s n SER 21 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1s1s s GLU 22 N -2.73 0.65 0.82 4.33 2.02 -1.26 -4.67 118.70 117.86 1s1s s GLU 22 Ca 0.18 -1.05 -0.12 0.00 0.02 0.00 0.00 54.97 54.00 1s1s s GLU 22 Cb 0.01 -0.15 0.08 0.00 0.10 0.00 0.00 34.13 34.17 1s1s s GLU 22 CO 0.13 -0.01 1.11 -0.51 0.02 0.00 0.00 175.26 176.00 1s1s s LEU 23 N -2.36 2.47 -0.11 1.80 1.43 0.73 -4.79 118.68 117.85 1s1s s LEU 23 Ca 0.01 1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.97 1s1s s LEU 23 Cb -0.01 -3.70 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1s1s s LEU 23 CO -0.03 -2.04 1.01 0.21 0.23 0.00 0.00 176.35 175.72 1s1s s ASN 24 N -4.04 7.24 0.14 2.29 3.04 -1.26 -2.80 114.94 119.55 1s1s s ASN 24 Ca 0.61 1.53 -0.19 0.00 0.04 0.00 0.00 52.86 54.86 1s1s s ASN 24 Cb -0.14 -2.56 0.02 0.00 -1.54 0.00 0.00 41.25 37.04 1s1s s ASN 24 CO 0.53 -0.45 1.69 1.23 -3.04 0.00 0.00 177.10 177.06 1s1s h GLY 25 N 8.03 0.21 0.25 1.21 0.00 -0.87 -0.86 103.07 111.04 1s1s h GLY 25 Ca -0.31 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1s1s h GLY 25 CO 0.86 -0.10 -0.01 0.83 0.00 0.00 0.00 176.54 178.12 1s1s h GLU 26 N 0.01 -0.03 -0.76 4.80 3.07 -1.87 -2.86 114.58 116.94 1s1s h GLU 26 Ca 0.13 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.16 1s1s h GLU 26 Cb 0.20 0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 28.01 1s1s h GLU 26 CO -0.28 0.65 0.26 1.25 -1.40 0.00 0.00 179.01 179.50 1s1s h LEU 27 N -0.78 0.17 0.21 1.33 6.46 -1.95 -0.22 115.31 120.52 1s1s h LEU 27 Ca -0.00 0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1s1s h LEU 27 Cb 0.70 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1s1s h LEU 27 CO 0.01 0.03 -0.15 0.25 -0.62 0.00 0.00 178.44 177.95 1s1s h LEU 28 N 0.36 -0.38 -0.95 2.25 5.85 -1.21 -2.26 115.31 118.97 1s1s h LEU 28 Ca 0.43 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.29 1s1s h LEU 28 Cb 0.72 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.79 1s1s h LEU 28 CO -0.47 -0.24 0.58 -0.07 -0.34 0.00 0.00 178.44 177.91 1s1s h LEU 29 N -0.36 0.85 0.02 2.25 3.38 -0.94 -0.92 115.31 119.60 1s1s h LEU 29 Ca -0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s1s h LEU 29 Cb 0.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1s1s h LEU 29 CO -0.00 0.47 -0.01 0.78 0.09 0.00 0.00 178.44 179.77 1s1s h ASN 30 N 0.94 -0.03 0.08 -0.43 -0.26 -0.77 -2.45 115.58 112.67 1s1s h ASN 30 Ca 0.46 -0.06 -0.08 0.00 -0.56 0.00 0.00 56.30 56.06 1s1s h ASN 30 Cb 0.43 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1s1s h ASN 30 CO -0.26 0.04 -0.27 0.77 -1.06 0.00 0.00 177.43 176.65 1s1s h SER 31 N -0.09 0.30 -0.41 5.81 4.64 -1.01 0.66 113.55 123.44 1s1s h SER 31 Ca -0.00 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1s1s h SER 31 Cb 0.08 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1s1s h SER 31 CO 0.01 0.57 0.19 0.40 -0.87 0.00 0.00 176.83 177.13 1s1s h ILE 32 N 0.27 1.18 -0.15 0.95 2.04 -1.01 0.13 117.51 120.92 1s1s h ILE 32 Ca 0.04 -0.53 -0.14 0.00 1.00 0.00 0.00 64.86 65.23 1s1s h ILE 32 Cb 0.62 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1s1s h ILE 32 CO 0.04 0.20 -0.43 1.56 0.00 0.00 0.00 178.15 179.52 1s1s h GLN 33 N 0.53 0.57 -0.23 2.37 4.20 -1.26 -2.49 115.11 118.79 1s1s h GLN 33 Ca 0.14 -0.40 0.07 0.00 0.06 0.00 0.00 58.65 58.52 1s1s h GLN 33 Cb 0.14 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1s1s h GLN 33 CO -0.02 1.02 0.18 0.37 -0.67 0.00 0.00 178.83 179.72 1s1s h GLN 34 N 0.21 0.00 0.00 1.46 -0.00 -0.66 0.22 115.11 116.34 1s1s h GLN 34 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1s1s h GLN 34 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.53 1s1s h GLN 34 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 178.83 178.92 1s1s n ALA 35 N -2.52 2.31 0.00 3.38 0.00 0.45 -4.90 120.51 119.23 1s1s n ALA 35 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1s1s n ALA 35 Cb 0.33 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1s1s n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1s n GLY 36 N 1.20 0.61 3.75 0.00 0.00 0.78 -4.98 105.19 106.55 1s1s n GLY 36 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1s1s n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s1s s PHE 37 N -2.00 3.75 -0.07 1.61 0.40 -0.95 -4.49 117.98 116.23 1s1s s PHE 37 Ca 0.00 1.79 0.04 0.00 -0.60 0.00 0.00 56.93 58.16 1s1s s PHE 37 Cb 0.00 -3.16 -0.02 0.00 0.51 0.00 0.00 43.02 40.36 1s1s s PHE 37 CO 0.00 -0.12 -0.20 0.42 0.70 0.00 0.00 175.22 176.01 1s1s s ILE 38 N -1.14 2.47 0.17 0.64 1.01 0.46 -4.25 121.20 120.56 1s1s s ILE 38 Ca 0.43 -0.92 -0.31 0.00 0.00 0.00 0.00 60.65 59.86 1s1s s ILE 38 Cb -0.29 -1.94 -0.09 0.00 0.01 0.00 0.00 42.46 40.15 1s1s s ILE 38 CO 0.37 0.57 1.38 0.12 0.00 0.00 0.00 174.94 177.37 1s1s s PHE 39 N -0.21 3.21 0.00 3.97 2.19 -1.26 -0.77 117.98 125.10 1s1s s PHE 39 Ca -0.01 1.05 0.00 0.00 0.33 0.00 0.00 56.93 58.30 1s1s s PHE 39 Cb -0.13 -3.68 0.00 0.00 -1.31 0.00 0.00 43.02 37.89 1s1s s PHE 39 CO 0.03 -2.28 0.00 0.41 1.83 0.00 0.00 175.22 175.21 1s1s n GLY 40 N 2.89 2.93 3.52 13.12 0.00 -0.17 -4.93 105.19 122.54 1s1s n GLY 40 Ca 0.09 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.53 1s1s n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s1s n ASP 41 N 0.00 0.28 0.00 1.61 2.03 -1.26 -0.68 116.55 118.52 1s1s n ASP 41 Ca 0.00 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1s1s n ASP 41 Cb 0.00 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1s1s n ASP 41 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1s1s n MET 42 N 1.72 -0.86 -3.21 -0.67 2.81 -1.26 -3.29 117.12 112.36 1s1s n MET 42 Ca 0.20 0.22 -0.16 0.00 -1.81 0.00 0.00 57.70 56.15 1s1s n MET 42 Cb 0.09 -3.86 0.06 0.00 -0.71 0.00 0.00 33.22 28.80 1s1s n MET 42 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1s1s n ASN 43 N -0.43 -4.59 -3.54 7.83 3.02 0.14 -4.84 115.26 112.85 1s1s n ASN 43 Ca 0.00 -0.37 -0.20 0.00 -0.03 0.00 0.00 54.58 53.97 1s1s n ASN 43 Cb 0.22 -3.60 -0.08 0.00 -0.61 0.00 0.00 39.78 35.71 1s1s n ASN 43 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1s1s s ILE 44 N -3.22 0.11 0.10 2.41 -4.36 -1.21 -1.72 121.20 113.31 1s1s s ILE 44 Ca 0.35 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.73 1s1s s ILE 44 Cb -0.15 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 1s1s s ILE 44 CO 0.50 0.00 0.27 -0.31 0.24 0.00 0.00 174.94 175.64 1s1s s TYR 45 N -3.44 3.50 -0.02 1.37 1.51 -0.86 -1.00 117.35 118.41 1s1s s TYR 45 Ca 0.37 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.76 1s1s s TYR 45 Cb 0.03 -1.82 0.02 0.00 -0.11 0.00 0.00 41.96 40.07 1s1s s TYR 45 CO 0.24 0.53 -0.02 -1.01 -1.11 0.00 0.00 175.55 174.18 1s1s s HIS 46 N -1.59 0.38 -0.22 2.71 3.76 0.05 0.05 115.29 120.44 1s1s s HIS 46 Ca 0.37 -0.05 -0.07 0.00 -0.15 0.00 0.00 55.06 55.16 1s1s s HIS 46 Cb -0.12 -0.38 -0.03 0.00 1.11 0.00 0.00 32.58 33.16 1s1s s HIS 46 CO 0.27 -0.09 0.05 0.50 -0.85 0.00 0.00 174.74 174.62 1s1s s ARG 47 N 0.60 3.72 0.00 1.40 6.06 -0.45 -0.40 118.95 129.88 1s1s s ARG 47 Ca -0.06 -0.46 0.00 0.00 -2.50 0.00 0.00 55.73 52.71 1s1s s ARG 47 Cb -0.09 -3.22 0.00 0.00 0.06 0.00 0.00 34.95 31.69 1s1s s ARG 47 CO -0.01 -0.01 0.00 0.72 -2.50 0.00 0.00 175.30 173.50 1s1s n HIS 48 N 4.36 -1.93 0.00 5.12 8.25 -1.26 -0.97 115.22 128.80 1s1s n HIS 48 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1s1s n HIS 48 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1s1s n HIS 48 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1s1s n LEU 49 N 0.00 1.00 -4.47 2.41 0.00 -1.26 -4.63 117.00 110.04 1s1s n LEU 49 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 56.01 55.99 1s1s n LEU 49 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 43.42 43.12 1s1s n LEU 49 CO 0.00 -0.26 0.81 -0.94 0.00 0.00 0.00 177.39 176.99 1s1s s SER 50 N -2.03 6.19 -0.34 1.96 1.04 -1.26 -4.93 113.70 114.33 1s1s s SER 50 Ca 0.00 -0.84 -0.03 0.00 0.48 0.00 0.00 55.95 55.56 1s1s s SER 50 Cb 0.00 -2.44 -0.12 0.00 0.10 0.00 0.00 66.02 63.57 1s1s s SER 50 CO 0.00 -1.46 0.96 -2.65 0.98 0.00 0.00 173.24 171.07 1s1s n PRO 51 N 7.89 0.00 0.00 4.02 -0.02 -1.26 -3.74 135.00 141.89 1s1s n PRO 51 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1s1s n PRO 51 Cb 0.46 -0.57 0.00 0.00 -0.02 0.00 0.00 33.50 33.37 1s1s n PRO 51 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1s1s n ASP 52 N 2.92 0.00 0.00 2.55 5.68 -1.26 -5.01 116.55 121.43 1s1s n ASP 52 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1s1s n ASP 52 Cb 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1s1s n ASP 52 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s1s n GLY 53 N 0.00 0.03 3.77 6.12 0.00 -1.25 -5.07 105.19 108.79 1s1s n GLY 53 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1s1s n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s1s s SER 54 N -2.02 7.15 0.00 1.61 1.04 -1.26 -4.86 113.70 115.37 1s1s s SER 54 Ca 0.00 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.57 1s1s s SER 54 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1s1s s SER 54 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1s1s n GLY 55 N 0.93 -3.96 3.85 7.32 0.00 -1.26 -4.24 105.19 107.84 1s1s n GLY 55 Ca 0.01 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 1s1s n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s1s s PRO 56 N -0.98 3.64 -0.06 1.61 0.04 -1.26 -4.91 135.00 133.07 1s1s s PRO 56 Ca 0.00 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1s1s s PRO 56 Cb 0.00 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1s1s s PRO 56 CO 0.00 -0.53 1.10 0.00 0.04 0.00 0.00 177.00 177.61 1s1s s ALA 57 N -2.94 3.42 -0.08 8.56 0.00 -1.26 -4.22 121.76 125.25 1s1s s ALA 57 Ca 0.57 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.81 1s1s s ALA 57 Cb -0.11 -3.46 -0.27 0.00 0.00 0.00 0.00 23.12 19.28 1s1s s ALA 57 CO 0.45 -0.63 0.91 -0.07 0.00 0.00 0.00 175.76 176.42 1s1s h LEU 58 N 7.91 0.24 -7.79 0.00 3.38 -1.35 -3.48 115.31 114.21 1s1s h LEU 58 Ca -0.34 -0.90 -0.06 0.00 0.09 0.00 0.00 57.88 56.67 1s1s h LEU 58 Cb 1.16 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 1s1s h LEU 58 CO 0.85 1.12 -0.13 0.72 0.09 0.00 0.00 178.44 181.09 1s1s s PHE 59 N -2.62 0.07 0.42 1.13 -0.12 -1.21 -4.46 117.98 111.19 1s1s s PHE 59 Ca -0.16 -0.42 0.05 0.00 -0.05 0.00 0.00 56.93 56.35 1s1s s PHE 59 Cb -0.00 0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.51 1s1s s PHE 59 CO 0.76 -0.80 0.02 -1.12 -0.05 0.00 0.00 175.22 174.03 1s1s s SER 60 N -2.90 3.71 -0.05 1.98 0.01 -0.22 -1.34 113.70 114.89 1s1s s SER 60 Ca 0.11 -1.44 0.01 0.00 1.31 0.00 0.00 55.95 55.93 1s1s s SER 60 Cb 0.01 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1s1s s SER 60 CO -0.04 -0.57 -0.04 -0.22 0.41 0.00 0.00 173.24 172.78 1s1s s LEU 61 N -3.72 1.25 0.21 2.44 0.20 0.11 -1.82 118.68 117.34 1s1s s LEU 61 Ca 0.28 -0.13 0.09 0.00 0.69 0.00 0.00 54.13 55.06 1s1s s LEU 61 Cb 0.08 -0.47 -0.05 0.00 -0.43 0.00 0.00 46.19 45.32 1s1s s LEU 61 CO 0.14 -0.07 -0.18 0.00 -0.29 0.00 0.00 176.35 175.95 1s1s s ALA 62 N 1.06 2.22 0.25 5.97 0.00 0.32 -2.03 121.76 129.54 1s1s s ALA 62 Ca -0.09 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.00 1s1s s ALA 62 Cb -0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 1s1s s ALA 62 CO -0.01 0.20 0.79 1.21 0.00 0.00 0.00 175.76 177.96 1s1s s ASN 63 N -3.08 7.17 0.32 0.00 3.04 0.10 -0.35 114.94 122.14 1s1s s ASN 63 Ca 0.22 1.56 0.25 0.00 0.04 0.00 0.00 52.86 54.93 1s1s s ASN 63 Cb -0.04 -2.47 0.63 0.00 -1.54 0.00 0.00 41.25 37.83 1s1s s ASN 63 CO 0.09 0.02 1.71 0.24 -3.04 0.00 0.00 177.10 176.12 1s1s h MET 64 N 3.43 0.00 -6.05 0.43 2.86 -1.58 -3.37 114.93 110.65 1s1s h MET 64 Ca -0.47 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.58 1s1s h MET 64 Cb 1.19 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.79 1s1s h MET 64 CO 0.65 0.00 0.74 0.08 1.06 0.00 0.00 176.91 179.44 1s1s s VAL 65 N -3.17 4.69 0.33 -2.22 1.01 -1.26 -4.81 120.40 114.96 1s1s s VAL 65 Ca 0.09 1.90 -0.25 0.00 0.00 0.00 0.00 61.98 63.71 1s1s s VAL 65 Cb 0.09 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 32.04 1s1s s VAL 65 CO 0.62 -0.20 0.62 1.17 0.00 0.00 0.00 175.10 177.31 1s1s n LYS 66 N 6.34 0.58 -0.16 2.72 4.81 -1.26 -0.18 118.16 131.00 1s1s n LYS 66 Ca 0.11 0.21 0.03 0.00 -0.87 0.00 0.00 58.31 57.78 1s1s n LYS 66 Cb 0.46 -1.42 0.10 0.00 0.02 0.00 0.00 35.03 34.19 1s1s n LYS 66 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1s1s n PRO 67 N 0.79 1.72 0.00 1.64 -0.04 -1.26 -4.79 135.00 133.05 1s1s n PRO 67 Ca 0.13 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1s1s n PRO 67 Cb 0.34 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1s1s n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s1s n GLY 68 N 0.56 0.89 3.91 0.55 0.00 0.75 -5.01 105.19 106.85 1s1s n GLY 68 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1s1s n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s1s s THR 69 N -2.00 2.54 0.36 2.61 -4.23 -1.26 -0.72 115.64 112.94 1s1s s THR 69 Ca 0.00 -1.29 0.09 0.00 -1.18 0.00 0.00 61.69 59.31 1s1s s THR 69 Cb 0.00 -2.83 -0.07 0.00 1.34 0.00 0.00 72.50 70.94 1s1s s THR 69 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 1s1s s PHE 70 N -2.51 2.45 -0.40 3.99 0.40 -0.70 -4.69 117.98 116.53 1s1s s PHE 70 Ca 0.48 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 1s1s s PHE 70 Cb -0.04 -1.49 0.12 0.00 0.51 0.00 0.00 43.02 42.13 1s1s s PHE 70 CO 0.29 0.53 0.19 0.34 0.70 0.00 0.00 175.22 177.27 1s1s s ASP 71 N -3.65 3.77 0.00 1.36 -1.08 -1.26 -4.84 116.67 110.96 1s1s s ASP 71 Ca 0.34 -2.32 0.00 0.00 -0.52 0.00 0.00 52.55 50.05 1s1s s ASP 71 Cb 0.03 -0.98 0.00 0.00 -1.46 0.00 0.00 42.92 40.51 1s1s s ASP 71 CO 0.17 -0.31 0.65 -0.81 0.52 0.00 0.00 175.17 175.39 1s1s n PRO 72 N 3.95 0.00 0.00 4.34 -0.04 -1.26 -1.20 135.00 140.79 1s1s n PRO 72 Ca 0.06 0.21 0.02 0.00 -0.04 0.00 0.00 63.50 63.75 1s1s n PRO 72 Cb 0.37 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.22 1s1s n PRO 72 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1s1s n GLU 73 N -1.15 3.17 -2.80 0.54 2.13 -1.26 -4.99 120.64 116.28 1s1s n GLU 73 Ca 0.00 -0.33 -0.38 0.00 0.66 0.00 0.00 57.16 57.11 1s1s n GLU 73 Cb 0.10 -0.87 -0.06 0.00 0.27 0.00 0.00 31.44 30.87 1s1s n GLU 73 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 1s1s s MET 74 N -1.03 4.65 -0.43 5.31 1.75 -0.34 -4.99 119.30 124.21 1s1s s MET 74 Ca 0.03 1.34 0.08 0.00 -1.25 0.00 0.00 55.69 55.90 1s1s s MET 74 Cb 0.04 -2.99 0.33 0.00 2.84 0.00 0.00 34.83 35.05 1s1s s MET 74 CO 0.14 0.38 1.01 0.36 -0.65 0.00 0.00 175.02 176.26 1s1s n LYS 75 N 0.93 1.01 -2.61 4.11 2.85 -1.26 -4.78 118.16 118.40 1s1s n LYS 75 Ca -0.00 -2.35 -0.04 0.00 -1.05 0.00 0.00 58.31 54.88 1s1s n LYS 75 Cb 0.49 -1.21 0.11 0.00 -0.65 0.00 0.00 35.03 33.78 1s1s n LYS 75 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1s1s n ASP 76 N 0.32 -1.52 -3.84 -5.58 5.75 -1.26 -4.91 116.55 105.50 1s1s n ASP 76 Ca 0.11 -2.21 -0.14 0.00 -0.01 0.00 0.00 54.79 52.55 1s1s n ASP 76 Cb 0.69 0.77 -0.08 0.00 -1.03 0.00 0.00 41.12 41.48 1s1s n ASP 76 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1s1s s PHE 77 N 0.14 1.14 0.05 2.11 -0.00 -1.26 -5.07 117.98 115.09 1s1s s PHE 77 Ca 0.13 -1.32 -0.04 0.00 -0.00 0.00 0.00 56.93 55.70 1s1s s PHE 77 Cb 0.39 -0.40 -0.02 0.00 -0.00 0.00 0.00 43.02 42.99 1s1s s PHE 77 CO -0.10 -0.82 0.06 0.95 -0.00 0.00 0.00 175.22 175.30 1s1s s THR 78 N -3.82 0.17 -0.06 -4.49 -4.23 -1.26 -0.12 115.64 101.83 1s1s s THR 78 Ca 0.35 -1.37 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1s1s s THR 78 Cb 0.04 -1.18 0.02 0.00 1.34 0.00 0.00 72.50 72.71 1s1s s THR 78 CO 0.16 -0.76 0.20 0.28 -0.54 0.00 0.00 174.62 173.97 1s1s s THR 79 N -3.29 0.02 -1.42 3.99 -1.32 -1.12 -4.90 115.64 107.60 1s1s s THR 79 Ca 0.01 -0.13 0.04 0.00 -1.21 0.00 0.00 61.69 60.40 1s1s s THR 79 Cb 0.03 -0.34 0.07 0.00 -1.51 0.00 0.00 72.50 70.76 1s1s s THR 79 CO -0.08 -0.07 0.97 -0.81 -2.21 0.00 0.00 174.62 172.42 1s1s n PRO 80 N 2.65 0.06 -1.21 7.08 -0.04 -1.26 -0.20 135.00 142.08 1s1s n PRO 80 Ca -0.15 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1s1s n PRO 80 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1s1s n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s1s n GLY 81 N -0.92 0.08 3.15 0.55 0.00 -1.26 -1.92 105.19 104.87 1s1s n GLY 81 Ca 0.02 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 1s1s n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s1s s VAL 82 N -1.87 0.75 -0.18 1.61 -7.23 -0.17 -1.54 120.40 111.77 1s1s s VAL 82 Ca 0.00 -1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1s1s s VAL 82 Cb 0.00 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.57 1s1s s VAL 82 CO 0.00 -0.68 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.06 1s1s s THR 83 N -2.83 2.47 -0.23 5.32 2.01 0.52 -1.01 115.64 121.89 1s1s s THR 83 Ca 0.06 -0.81 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 1s1s s THR 83 Cb -0.00 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1s1s s THR 83 CO -0.02 0.51 0.11 -0.63 -0.69 0.00 0.00 174.62 173.89 1s1s s ILE 84 N 1.24 4.86 0.04 1.82 1.01 -0.30 -0.52 121.20 129.36 1s1s s ILE 84 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1s1s s ILE 84 Cb -0.14 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1s1s s ILE 84 CO -0.08 0.37 -0.10 0.72 0.00 0.00 0.00 174.94 175.85 1s1s s PHE 85 N 1.09 0.84 -0.11 3.97 -0.71 -0.76 -1.64 117.98 120.67 1s1s s PHE 85 Ca 0.05 -0.42 -0.01 0.00 -1.04 0.00 0.00 56.93 55.51 1s1s s PHE 85 Cb -0.14 -0.50 0.03 0.00 -1.21 0.00 0.00 43.02 41.20 1s1s s PHE 85 CO 0.04 -0.03 -0.03 1.41 -1.34 0.00 0.00 175.22 175.27 1s1s s MET 86 N -1.39 1.01 0.16 1.99 1.75 -0.17 -1.06 119.30 121.59 1s1s s MET 86 Ca -0.05 -0.13 -0.30 0.00 -1.25 0.00 0.00 55.69 53.96 1s1s s MET 86 Cb -0.09 -1.40 -0.07 0.00 2.84 0.00 0.00 34.83 36.11 1s1s s MET 86 CO 0.01 -0.34 1.10 -1.14 -0.65 0.00 0.00 175.02 174.01 1s1s s GLN 87 N 1.84 4.58 0.04 4.11 2.00 -1.26 -1.46 119.66 129.51 1s1s s GLN 87 Ca 0.04 1.71 0.03 0.00 -2.00 0.00 0.00 55.36 55.14 1s1s s GLN 87 Cb -0.13 -3.29 -0.02 0.00 0.80 0.00 0.00 33.01 30.36 1s1s s GLN 87 CO -0.07 0.04 -0.11 0.14 -0.50 0.00 0.00 175.29 174.79 1s1s s VAL 88 N -0.05 0.80 0.59 1.34 -7.23 0.26 -4.08 120.40 112.03 1s1s s VAL 88 Ca 0.50 -1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 59.50 1s1s s VAL 88 Cb -0.29 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1s1s s VAL 88 CO 0.34 -0.19 1.07 -2.16 -0.31 0.00 0.00 175.10 173.85 1s1s s PRO 89 N -1.33 3.27 0.00 4.82 0.04 -1.26 0.00 135.00 140.54 1s1s s PRO 89 Ca -0.04 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1s1s s PRO 89 Cb -0.08 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1s1s s PRO 89 CO 0.01 -0.86 0.00 -1.13 0.04 0.00 0.00 177.00 175.06 1s1s n SER 90 N -1.92 0.00 -1.65 6.66 3.41 -1.26 -5.00 113.62 113.87 1s1s n SER 90 Ca 0.09 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.79 1s1s n SER 90 Cb 0.52 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.84 1s1s n SER 90 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1s1s n TYR 91 N 0.00 1.63 -0.22 7.33 4.02 -1.26 -4.94 117.16 123.72 1s1s n TYR 91 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 57.90 57.27 1s1s n TYR 91 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.00 1s1s n TYR 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s1s n GLY 92 N 0.96 0.70 2.53 2.72 0.00 -1.26 -4.91 105.19 105.94 1s1s n GLY 92 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 1s1s n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s1s n ASP 93 N 0.00 2.92 -0.22 1.61 2.03 -1.26 -4.92 116.55 116.71 1s1s n ASP 93 Ca 0.00 -2.91 -0.04 0.00 0.52 0.00 0.00 54.79 52.36 1s1s n ASP 93 Cb 0.00 -0.45 0.07 0.00 -0.72 0.00 0.00 41.12 40.02 1s1s n ASP 93 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1s1s h GLU 94 N 2.60 0.72 -0.31 -0.67 3.07 -1.97 -2.25 114.58 115.76 1s1s h GLU 94 Ca 0.07 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1s1s h GLU 94 Cb 1.25 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 1s1s h GLU 94 CO 0.52 0.47 0.08 -0.07 -1.40 0.00 0.00 179.01 178.61 1s1s h LEU 95 N 0.74 0.41 -0.08 1.33 3.38 -1.98 -0.40 115.31 118.71 1s1s h LEU 95 Ca 0.26 -0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.94 1s1s h LEU 95 Cb 0.07 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1s1s h LEU 95 CO -0.12 0.41 -0.95 1.56 0.09 0.00 0.00 178.44 179.43 1s1s h GLN 96 N 0.44 0.68 -0.02 1.13 1.08 -1.92 -3.01 115.11 113.50 1s1s h GLN 96 Ca 0.11 -0.67 -0.05 0.00 -1.45 0.00 0.00 58.65 56.58 1s1s h GLN 96 Cb 0.17 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1s1s h GLN 96 CO -0.00 1.27 -0.22 -0.07 -0.95 0.00 0.00 178.83 178.85 1s1s h LEU 97 N 0.41 0.03 -0.17 1.46 3.38 -0.96 -2.26 115.31 117.20 1s1s h LEU 97 Ca -0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1s1s h LEU 97 Cb 1.59 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 1s1s h LEU 97 CO 0.19 0.25 0.09 0.15 0.09 0.00 0.00 178.44 179.21 1s1s h PHE 98 N 0.03 0.24 -0.48 1.13 3.57 -0.98 0.21 116.94 120.67 1s1s h PHE 98 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1s1s h PHE 98 Cb 0.41 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1s1s h PHE 98 CO 0.00 0.25 0.28 0.87 -2.23 0.00 0.00 178.31 177.47 1s1s h LYS 99 N 0.17 0.53 -0.98 1.11 1.57 -1.33 0.15 116.57 117.80 1s1s h LYS 99 Ca 0.06 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1s1s h LYS 99 Cb 0.09 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 1s1s h LYS 99 CO -0.01 0.35 0.64 1.25 -0.57 0.00 0.00 179.45 181.11 1s1s h LEU 100 N 0.55 1.04 -0.12 2.94 5.85 -0.94 -0.28 115.31 124.35 1s1s h LEU 100 Ca 0.19 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1s1s h LEU 100 Cb 0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1s1s h LEU 100 CO -0.10 0.69 0.04 -0.03 -0.34 0.00 0.00 178.44 178.70 1s1s h MET 101 N 1.19 0.18 -0.89 1.25 4.05 0.73 -1.71 114.93 119.72 1s1s h MET 101 Ca 0.41 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.77 1s1s h MET 101 Cb 0.09 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 1s1s h MET 101 CO -0.15 0.31 0.49 1.25 0.23 0.00 0.00 176.91 179.04 1s1s h LEU 102 N 0.02 1.12 -0.26 3.39 5.85 -0.17 -2.02 115.31 123.24 1s1s h LEU 102 Ca 0.04 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1s1s h LEU 102 Cb 0.20 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1s1s h LEU 102 CO -0.00 0.90 0.15 1.56 -0.34 0.00 0.00 178.44 180.70 1s1s h GLN 103 N 1.25 0.35 -0.47 1.25 4.20 -0.92 -2.09 115.11 118.68 1s1s h GLN 103 Ca 0.31 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 59.03 1s1s h GLN 103 Cb 0.03 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1s1s h GLN 103 CO -0.05 0.30 0.23 0.77 -0.67 0.00 0.00 178.83 179.41 1s1s h SER 104 N 0.31 0.32 -0.73 1.46 0.02 -0.91 0.65 113.55 114.66 1s1s h SER 104 Ca 0.09 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1s1s h SER 104 Cb 0.04 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1s1s h SER 104 CO -0.02 0.22 0.27 0.00 -1.14 0.00 0.00 176.83 176.17 1s1s h ALA 105 N 1.26 0.95 -0.27 3.77 0.00 -1.20 -1.60 119.26 122.18 1s1s h ALA 105 Ca 0.21 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1s1s h ALA 105 Cb 0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1s1s h ALA 105 CO -0.16 0.60 -0.44 0.37 0.00 0.00 0.00 179.25 179.62 1s1s h GLN 106 N 1.06 0.77 -0.36 0.00 -0.00 -0.93 0.23 115.11 115.88 1s1s h GLN 106 Ca 0.24 -0.47 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 1s1s h GLN 106 Cb 0.25 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 1s1s h GLN 106 CO -0.02 1.10 0.24 0.45 0.00 0.00 0.00 178.83 180.61 1s1s h HIS 107 N 0.52 0.46 0.28 3.99 3.86 -0.78 -1.23 115.15 122.25 1s1s h HIS 107 Ca 0.02 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1s1s h HIS 107 Cb 1.04 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.36 1s1s h HIS 107 CO 0.08 0.29 -0.14 0.82 0.86 0.00 0.00 177.93 179.84 1s1s h ILE 108 N 0.49 0.76 -1.00 2.45 2.04 -1.19 -2.36 117.51 118.69 1s1s h ILE 108 Ca 0.13 -0.28 0.22 0.00 1.00 0.00 0.00 64.86 65.94 1s1s h ILE 108 Cb -0.05 0.91 -0.11 0.00 -0.74 0.00 0.00 36.82 36.83 1s1s h ILE 108 CO -0.03 0.06 0.62 0.00 0.00 0.00 0.00 178.15 178.80 1s1s h ALA 109 N 0.15 1.85 0.12 1.87 0.00 -0.39 -2.03 119.26 120.83 1s1s h ALA 109 Ca -0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1s1s h ALA 109 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1s1s h ALA 109 CO 0.06 -0.25 -0.06 -0.44 0.00 0.00 0.00 179.25 178.56 1s1s h ASP 110 N 0.62 -0.14 -0.97 0.00 3.32 -0.98 0.70 116.42 118.98 1s1s h ASP 110 Ca 0.59 0.00 0.28 0.00 0.02 0.00 0.00 57.03 57.93 1s1s h ASP 110 Cb 1.13 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 1s1s h ASP 110 CO -0.38 -0.08 1.02 -0.33 -1.72 0.00 0.00 179.24 177.75 1s1s h GLU 111 N -0.20 0.00 -0.09 3.56 5.08 -1.08 0.33 114.58 122.18 1s1s h GLU 111 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1s1s h GLU 111 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1s1s h GLU 111 CO 0.03 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.37 1s1s n VAL 112 N -3.46 0.18 -1.77 3.13 0.24 -0.80 -4.98 118.33 110.88 1s1s n VAL 112 Ca 0.21 -0.59 -0.08 0.00 -2.04 0.00 0.00 64.34 61.84 1s1s n VAL 112 Cb 1.33 1.14 -0.02 0.00 -1.47 0.00 0.00 33.84 34.82 1s1s n VAL 112 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s1s n GLY 113 N 0.76 0.43 2.25 7.63 0.00 0.12 -4.73 105.19 111.66 1s1s n GLY 113 Ca 0.09 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1s1s n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1s n GLY 114 N -1.43 2.12 3.17 -0.02 0.00 0.23 -4.59 105.19 104.67 1s1s n GLY 114 Ca -0.09 -2.20 -0.21 0.00 0.00 0.00 0.00 46.02 43.52 1s1s n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1s s VAL 115 N -1.18 1.24 -0.23 1.61 0.11 0.17 -4.48 120.40 117.65 1s1s s VAL 115 Ca 0.32 -1.08 -0.23 0.00 -2.93 0.00 0.00 61.98 58.06 1s1s s VAL 115 Cb -0.03 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 1s1s s VAL 115 CO 0.20 0.02 0.73 -0.69 -3.33 0.00 0.00 175.10 172.04 1s1s s VAL 116 N -0.88 4.92 0.19 2.04 1.01 -1.26 -0.36 120.40 126.05 1s1s s VAL 116 Ca 0.03 1.37 0.10 0.00 0.00 0.00 0.00 61.98 63.48 1s1s s VAL 116 Cb -0.08 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1s1s s VAL 116 CO 0.02 0.00 -0.18 -0.76 0.00 0.00 0.00 175.10 174.17 1s1s s LEU 117 N 2.50 2.65 0.00 3.92 1.43 0.28 -3.13 118.68 126.33 1s1s s LEU 117 Ca 0.31 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1s1s s LEU 117 Cb -0.16 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1s1s s LEU 117 CO 0.09 0.11 0.00 -0.90 0.23 0.00 0.00 176.35 175.88 1s1s n ASP 118 N 0.16 -0.19 0.28 2.29 5.68 0.14 0.34 116.55 125.25 1s1s n ASP 118 Ca -0.12 -0.63 0.18 0.00 -0.50 0.00 0.00 54.79 53.72 1s1s n ASP 118 Cb 0.56 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.29 1s1s n ASP 118 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1s1s h ASP 119 N -0.19 0.00 -0.61 -1.12 2.03 -1.86 -1.26 116.42 113.42 1s1s h ASP 119 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1s1s h ASP 119 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1s1s h ASP 119 CO 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 179.24 178.23 1s1s n GLN 120 N -3.13 3.09 -3.53 4.15 6.02 -1.26 -4.94 117.38 117.79 1s1s n GLN 120 Ca -0.00 -2.47 -0.22 0.00 -0.01 0.00 0.00 57.00 54.31 1s1s n GLN 120 Cb 0.28 -1.71 0.08 0.00 1.02 0.00 0.00 30.24 29.91 1s1s n GLN 120 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s1s n ARG 121 N 1.15 -7.47 -4.27 -1.09 5.12 -0.47 -5.02 116.66 104.60 1s1s n ARG 121 Ca 0.23 0.82 -0.17 0.00 -1.93 0.00 0.00 57.85 56.79 1s1s n ARG 121 Cb 0.71 -5.83 -0.11 0.00 -1.16 0.00 0.00 32.46 26.08 1s1s n ARG 121 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1s1s s ARG 122 N -6.01 1.12 0.06 5.56 0.52 -1.26 -4.82 118.95 114.12 1s1s s ARG 122 Ca 0.40 -1.39 -0.37 0.00 -0.52 0.00 0.00 55.73 53.86 1s1s s ARG 122 Cb -0.18 -0.91 -0.19 0.00 0.52 0.00 0.00 34.95 34.19 1s1s s ARG 122 CO 0.72 0.16 0.97 -0.12 0.02 0.00 0.00 175.30 177.04 1s1s n MET 123 N 0.10 0.14 -2.40 3.54 0.00 -1.26 -0.68 117.12 116.56 1s1s n MET 123 Ca -0.12 0.05 -0.42 0.00 -0.00 0.00 0.00 57.70 57.21 1s1s n MET 123 Cb 0.59 -1.45 -0.03 0.00 0.00 0.00 0.00 33.22 32.33 1s1s n MET 123 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1s1s s MET 124 N -0.22 4.37 0.28 2.12 1.75 -1.18 -4.66 119.30 121.75 1s1s s MET 124 Ca 0.83 1.76 0.11 0.00 -1.25 0.00 0.00 55.69 57.15 1s1s s MET 124 Cb -1.15 -3.49 -0.05 0.00 2.84 0.00 0.00 34.83 32.99 1s1s s MET 124 CO 0.56 -0.41 -0.13 0.95 -0.65 0.00 0.00 175.02 175.34 1s1s s THR 125 N 1.86 2.75 0.49 10.11 -4.23 -1.26 -5.02 115.64 120.34 1s1s s THR 125 Ca 0.58 -2.25 0.14 0.00 -1.18 0.00 0.00 61.69 58.98 1s1s s THR 125 Cb -0.28 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.35 1s1s s THR 125 CO 0.25 -0.38 2.13 -0.65 -0.54 0.00 0.00 174.62 175.43 1s1s h PRO 126 N 2.14 0.14 -0.08 3.99 0.11 -2.00 -1.09 132.00 135.20 1s1s h PRO 126 Ca -0.41 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.53 1s1s h PRO 126 Cb 1.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1s1s h PRO 126 CO 0.61 0.09 -0.63 0.37 -0.21 0.00 0.00 178.00 178.23 1s1s h GLN 127 N 0.14 0.31 -0.01 1.05 4.15 -1.99 -2.29 115.11 116.47 1s1s h GLN 127 Ca 0.04 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 59.11 1s1s h GLN 127 Cb -0.02 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1s1s h GLN 127 CO -0.01 0.84 -0.58 -0.22 -1.93 0.00 0.00 178.83 176.93 1s1s h LYS 128 N 0.23 0.04 -0.21 1.69 1.63 -1.63 -2.17 116.57 116.14 1s1s h LYS 128 Ca -0.01 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 1s1s h LYS 128 Cb 1.16 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1s1s h LYS 128 CO 0.10 0.61 0.01 -0.07 -3.45 0.00 0.00 179.45 176.65 1s1s h LEU 129 N 0.03 0.36 -1.56 5.20 3.38 -1.12 -2.32 115.31 119.26 1s1s h LEU 129 Ca -0.01 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1s1s h LEU 129 Cb 1.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1s1s h LEU 129 CO 0.08 0.56 -0.19 0.03 0.09 0.00 0.00 178.44 179.01 1s1s h ARG 130 N 0.14 0.04 -0.24 1.13 3.08 -1.27 -2.39 114.38 114.88 1s1s h ARG 130 Ca 0.06 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 1s1s h ARG 130 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1s1s h ARG 130 CO 0.01 0.23 -0.50 1.49 -1.07 0.00 0.00 179.97 180.13 1s1s h GLU 131 N 0.04 0.65 -0.02 0.04 4.81 -1.13 -1.27 114.58 117.70 1s1s h GLU 131 Ca 0.01 -0.38 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1s1s h GLU 131 Cb 0.36 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1s1s h GLU 131 CO 0.03 0.99 0.01 1.88 -0.73 0.00 0.00 179.01 181.19 1s1s h TYR 132 N 0.51 0.02 -0.96 0.92 0.99 -0.97 -0.77 116.97 116.71 1s1s h TYR 132 Ca 0.02 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.78 1s1s h TYR 132 Cb 1.05 -0.01 -0.05 0.00 1.00 0.00 0.00 36.73 38.72 1s1s h TYR 132 CO 0.05 0.10 0.63 1.96 -0.00 0.00 0.00 178.16 180.90 1s1s h GLN 133 N -0.06 1.20 0.00 4.88 4.20 -1.38 -0.68 115.11 123.26 1s1s h GLN 133 Ca 0.01 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1s1s h GLN 133 Cb 0.09 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1s1s h GLN 133 CO -0.00 0.79 -0.30 -0.44 -0.67 0.00 0.00 178.83 178.21 1s1s h ASP 134 N 1.23 0.00 -0.13 1.46 5.19 -0.87 -0.45 116.42 122.86 1s1s h ASP 134 Ca 0.38 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.60 1s1s h ASP 134 Cb -0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1s1s h ASP 134 CO -0.11 0.30 -0.62 0.40 -3.12 0.00 0.00 179.24 176.09 1s1s h ILE 135 N 0.00 1.29 -0.25 0.35 2.04 0.26 -0.80 117.51 120.41 1s1s h ILE 135 Ca -0.00 -1.84 -0.05 0.00 1.00 0.00 0.00 64.86 63.97 1s1s h ILE 135 Cb 0.53 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1s1s h ILE 135 CO 0.04 0.59 -0.04 0.40 0.00 0.00 0.00 178.15 179.13 1s1s h ILE 136 N 0.55 1.27 -0.46 -0.67 2.04 -0.53 -1.85 117.51 117.86 1s1s h ILE 136 Ca -0.01 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 1s1s h ILE 136 Cb 1.21 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1s1s h ILE 136 CO 0.13 0.32 0.15 0.03 0.00 0.00 0.00 178.15 178.78 1s1s h ARG 137 N 0.23 0.72 -0.80 2.37 3.08 -1.11 -1.36 114.38 117.51 1s1s h ARG 137 Ca 0.07 -0.15 0.10 0.00 0.07 0.00 0.00 59.98 60.07 1s1s h ARG 137 Cb 0.49 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.36 1s1s h ARG 137 CO 0.02 0.68 0.43 1.49 -1.07 0.00 0.00 179.97 181.52 1s1s h GLU 138 N 0.61 0.68 -0.05 0.04 4.81 -1.04 -2.23 114.58 117.41 1s1s h GLU 138 Ca 0.15 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 1s1s h GLU 138 Cb 0.26 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1s1s h GLU 138 CO -0.01 0.45 -0.73 0.28 -0.73 0.00 0.00 179.01 178.27 1s1s h VAL 139 N 0.70 1.41 0.00 0.32 2.07 -0.98 -3.17 116.25 116.60 1s1s h VAL 139 Ca 0.40 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1s1s h VAL 139 Cb 0.42 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1s1s h VAL 139 CO -0.28 0.66 0.00 0.29 0.02 0.00 0.00 177.57 178.26 1s1s n LYS 140 N -3.80 0.56 0.00 1.57 5.02 -0.54 -3.76 118.16 117.20 1s1s n LYS 140 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1s1s n LYS 140 Cb 0.71 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 1s1s n LYS 140 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1s1s n ASP 141 N -0.61 0.00 0.00 4.39 10.43 -1.20 -4.77 116.55 124.79 1s1s n ASP 141 Ca 0.03 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.39 1s1s n ASP 141 Cb 0.01 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1s1s n ASP 141 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s1s n ALA 142 N -1.36 0.00 1.59 2.24 0.00 -1.24 -4.92 120.51 116.82 1s1s n ALA 142 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1s1s n ALA 142 Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.06 1s1s n ALA 142 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77