#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1s h LYS 7 N 0.00 0.00 -5.08 5.56 1.57 -1.87 -3.36 116.57 113.39 1s1s h LYS 7 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1s1s h LYS 7 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 1s1s h LYS 7 CO 0.00 0.56 -0.73 -1.21 -0.57 0.00 0.00 179.45 177.50 1s1s s GLU 8 N -2.91 0.98 -0.10 3.15 0.41 -1.26 -4.23 118.70 114.74 1s1s s GLU 8 Ca 0.03 -1.31 -0.32 0.00 -0.41 0.00 0.00 54.97 52.95 1s1s s GLU 8 Cb 0.08 -0.63 0.12 0.00 -1.78 0.00 0.00 34.13 31.92 1s1s s GLU 8 CO 0.77 0.09 1.15 0.00 -0.49 0.00 0.00 175.26 176.78 1s1s s ALA 9 N -2.83 -2.04 -0.07 5.21 0.00 -0.56 -4.99 121.76 116.49 1s1s s ALA 9 Ca 0.11 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.31 1s1s s ALA 9 Cb -0.01 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1s1s s ALA 9 CO 0.01 -0.74 -0.17 0.08 0.00 0.00 0.00 175.76 174.94 1s1s s VAL 10 N -2.60 1.48 -0.31 0.00 1.01 -1.26 0.26 120.40 118.97 1s1s s VAL 10 Ca 0.10 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 1s1s s VAL 10 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1s1s s VAL 10 CO -0.05 0.43 0.59 -0.63 0.00 0.00 0.00 175.10 175.44 1s1s s ILE 11 N 0.44 4.97 -0.14 2.22 -1.09 0.17 -4.91 121.20 122.86 1s1s s ILE 11 Ca -0.14 0.75 0.01 0.00 -2.23 0.00 0.00 60.65 59.05 1s1s s ILE 11 Cb -0.16 -3.96 0.02 0.00 -1.58 0.00 0.00 42.46 36.78 1s1s s ILE 11 CO 0.05 -0.12 -0.15 -0.63 -1.23 0.00 0.00 174.94 172.86 1s1s s ILE 12 N 2.52 1.63 0.27 2.92 1.01 -1.26 -0.77 121.20 127.52 1s1s s ILE 12 Ca 0.23 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1s1s s ILE 12 Cb -0.15 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.75 1s1s s ILE 12 CO 0.12 0.47 -0.03 0.00 0.00 0.00 0.00 174.94 175.50 1s1s s MET 13 N 1.31 1.51 0.10 2.79 0.23 -0.43 -2.06 119.30 122.76 1s1s s MET 13 Ca 0.02 -1.78 0.04 0.00 -1.03 0.00 0.00 55.69 52.94 1s1s s MET 13 Cb -0.13 -0.98 -0.04 0.00 -1.53 0.00 0.00 34.83 32.15 1s1s s MET 13 CO -0.08 -0.03 -0.11 -0.80 -2.03 0.00 0.00 175.02 171.97 1s1s s ASN 14 N -3.42 1.56 -0.30 -1.18 0.01 0.22 -0.43 114.94 111.41 1s1s s ASN 14 Ca 0.30 -0.80 0.03 0.00 -0.71 0.00 0.00 52.86 51.68 1s1s s ASN 14 Cb 0.05 -0.01 0.08 0.00 0.41 0.00 0.00 41.25 41.78 1s1s s ASN 14 CO 0.12 -0.23 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.78 1s1s s VAL 15 N -2.30 1.95 0.31 1.60 1.01 -0.17 0.34 120.40 123.16 1s1s s VAL 15 Ca 0.05 -1.85 0.10 0.00 0.00 0.00 0.00 61.98 60.28 1s1s s VAL 15 Cb -0.04 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1s1s s VAL 15 CO 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 175.10 174.72 1s1s s ALA 16 N 1.12 3.14 0.53 5.51 0.00 0.51 -1.65 121.76 130.92 1s1s s ALA 16 Ca 0.03 -1.87 -0.13 0.00 0.00 0.00 0.00 51.96 49.98 1s1s s ALA 16 Cb -0.19 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.41 1s1s s ALA 16 CO -0.09 0.14 0.95 0.00 0.00 0.00 0.00 175.76 176.76 1s1s s ALA 17 N -2.47 3.15 0.84 0.00 0.00 -0.77 0.13 121.76 122.64 1s1s s ALA 17 Ca 0.33 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 1s1s s ALA 17 Cb -0.02 -3.00 0.10 0.00 0.00 0.00 0.00 23.12 20.19 1s1s s ALA 17 CO 0.19 -0.34 1.14 -1.01 0.00 0.00 0.00 175.76 175.73 1s1s s HIS 18 N -2.76 1.99 0.28 0.00 0.09 -1.26 -4.77 115.29 108.86 1s1s s HIS 18 Ca 0.56 1.69 -0.30 0.00 -0.00 0.00 0.00 55.06 57.01 1s1s s HIS 18 Cb -0.10 -3.27 -0.11 0.00 -0.00 0.00 0.00 32.58 29.10 1s1s s HIS 18 CO 0.39 -2.45 1.58 -1.01 -0.00 0.00 0.00 174.74 173.25 1s1s s HIS 19 N -2.63 2.80 0.00 1.40 0.09 -1.26 -2.83 115.29 112.86 1s1s s HIS 19 Ca 0.66 0.79 0.00 0.00 -0.00 0.00 0.00 55.06 56.51 1s1s s HIS 19 Cb -0.22 -4.04 0.00 0.00 -0.00 0.00 0.00 32.58 28.33 1s1s s HIS 19 CO 0.55 -3.50 0.00 0.41 -0.00 0.00 0.00 174.74 172.20 1s1s n GLY 20 N 2.29 0.72 1.95 -2.22 0.00 -1.26 -5.05 105.19 101.62 1s1s n GLY 20 Ca 0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 0.87 -1.08 -3.98 1.61 3.41 -1.13 -5.19 113.62 108.12 1s1s n SER 21 Ca 0.00 -1.70 -0.10 0.00 -0.26 0.00 0.00 58.87 56.82 1s1s n SER 21 Cb 0.00 1.79 -0.07 0.00 -0.26 0.00 0.00 64.21 65.67 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 -2.04 1.15 0.07 4.33 2.02 -1.26 -4.74 118.70 118.23 1s1s s GLU 22 Ca 0.09 -1.21 -0.20 0.00 0.02 0.00 0.00 54.97 53.67 1s1s s GLU 22 Cb -0.02 0.36 -0.07 0.00 0.10 0.00 0.00 34.13 34.51 1s1s s GLU 22 CO 0.05 -0.41 0.59 -0.51 0.02 0.00 0.00 175.26 174.99 1s1s s LEU 23 N -2.98 4.53 -0.11 1.80 1.43 -0.21 -4.87 118.68 118.26 1s1s s LEU 23 Ca 0.18 1.28 -0.29 0.00 -1.03 0.00 0.00 54.13 54.27 1s1s s LEU 23 Cb 0.04 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 1s1s s LEU 23 CO 0.01 0.26 1.65 0.21 0.23 0.00 0.00 176.35 178.70 1s1s s ASN 24 N -1.04 6.56 0.11 2.29 3.84 -1.26 -2.07 114.94 123.37 1s1s s ASN 24 Ca 0.30 2.03 -0.20 0.00 0.21 0.00 0.00 52.86 55.19 1s1s s ASN 24 Cb -0.20 -2.53 -0.08 0.00 -0.55 0.00 0.00 41.25 37.89 1s1s s ASN 24 CO 0.19 -1.05 1.76 1.23 -2.79 0.00 0.00 177.10 176.45 1s1s h GLY 25 N 10.79 0.19 1.02 1.21 0.00 -1.27 -0.99 103.07 114.03 1s1s h GLY 25 Ca -0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1s1s h GLY 25 CO 0.97 0.05 0.50 -2.09 0.00 0.00 0.00 176.54 175.97 1s1s h GLU 26 N 0.17 1.22 -0.11 4.80 4.81 -1.92 -1.29 114.58 122.26 1s1s h GLU 26 Ca 0.06 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 1s1s h GLU 26 Cb 0.00 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1s1s h GLU 26 CO -0.03 0.88 -0.39 1.25 -0.73 0.00 0.00 179.01 179.99 1s1s h LEU 27 N 1.22 0.24 0.06 1.64 5.85 -1.92 -2.68 115.31 119.72 1s1s h LEU 27 Ca 0.31 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1s1s h LEU 27 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1s1s h LEU 27 CO -0.05 0.61 -0.03 0.25 -0.34 0.00 0.00 178.44 178.88 1s1s h LEU 28 N 0.19 -0.06 -1.49 2.25 5.85 -0.51 -2.40 115.31 119.13 1s1s h LEU 28 Ca 0.02 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.31 1s1s h LEU 28 Cb 0.77 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1s1s h LEU 28 CO 0.06 0.43 0.36 -0.07 -0.34 0.00 0.00 178.44 178.89 1s1s h LEU 29 N -0.58 0.58 -0.67 2.25 3.38 -1.25 -0.03 115.31 118.98 1s1s h LEU 29 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1s1s h LEU 29 Cb 0.51 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1s1s h LEU 29 CO 0.01 0.41 -0.47 -1.13 0.09 0.00 0.00 178.44 177.35 1s1s h ASN 30 N 0.68 0.50 0.44 -0.43 -0.73 -1.46 -2.48 115.58 112.10 1s1s h ASN 30 Ca 0.21 -0.24 -0.19 0.00 1.87 0.00 0.00 56.30 57.96 1s1s h ASN 30 Cb 0.02 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 1s1s h ASN 30 CO -0.05 0.90 -0.79 0.77 -0.37 0.00 0.00 177.43 177.89 1s1s h SER 31 N 0.37 0.34 -0.36 1.15 4.64 -0.80 -2.04 113.55 116.85 1s1s h SER 31 Ca 0.02 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.04 1s1s h SER 31 Cb 0.97 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 1s1s h SER 31 CO 0.09 1.00 0.02 0.40 -0.87 0.00 0.00 176.83 177.46 1s1s h ILE 32 N 0.17 1.23 0.04 0.95 2.04 -0.89 0.26 117.51 121.31 1s1s h ILE 32 Ca -0.04 -0.90 -0.26 0.00 1.00 0.00 0.00 64.86 64.66 1s1s h ILE 32 Cb 1.38 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1s1s h ILE 32 CO 0.13 0.32 -1.06 1.56 0.00 0.00 0.00 178.15 179.09 1s1s h GLN 33 N 0.67 0.53 -0.39 2.37 4.20 -1.36 -1.37 115.11 119.76 1s1s h GLN 33 Ca 0.14 -0.62 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 1s1s h GLN 33 Cb 0.39 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1s1s h GLN 33 CO 0.01 1.24 0.12 0.37 -0.67 0.00 0.00 178.83 179.91 1s1s h GLN 34 N 0.28 0.57 0.00 1.46 4.15 -1.00 -0.24 115.11 120.33 1s1s h GLN 34 Ca -0.12 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1s1s h GLN 34 Cb 1.72 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.30 1s1s h GLN 34 CO 0.19 0.50 0.00 0.00 -1.93 0.00 0.00 178.83 177.60 1s1s n ALA 35 N -2.47 1.81 -0.11 3.38 0.00 0.89 -4.85 120.51 119.15 1s1s n ALA 35 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1s1s n ALA 35 Cb 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.13 0.78 3.80 0.00 0.00 -0.10 -4.92 105.19 104.88 1s1s n GLY 36 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.09 3.62 -0.14 1.61 0.40 -0.53 -4.64 117.98 116.21 1s1s s PHE 37 Ca 0.00 1.61 0.02 0.00 -0.60 0.00 0.00 56.93 57.95 1s1s s PHE 37 Cb 0.00 -2.79 0.00 0.00 0.51 0.00 0.00 43.02 40.74 1s1s s PHE 37 CO 0.00 0.22 -0.19 0.42 0.70 0.00 0.00 175.22 176.37 1s1s s ILE 38 N -1.66 2.39 0.30 0.64 -1.09 0.58 -4.36 121.20 118.01 1s1s s ILE 38 Ca 0.49 -0.87 -0.29 0.00 -2.23 0.00 0.00 60.65 57.75 1s1s s ILE 38 Cb -0.17 -1.98 -0.10 0.00 -1.58 0.00 0.00 42.46 38.63 1s1s s ILE 38 CO 0.21 0.53 1.29 0.12 -1.23 0.00 0.00 174.94 175.86 1s1s s PHE 39 N 0.72 3.15 0.00 3.97 2.19 -1.26 -1.61 117.98 125.14 1s1s s PHE 39 Ca -0.08 1.41 0.00 0.00 0.33 0.00 0.00 56.93 58.59 1s1s s PHE 39 Cb -0.16 -3.62 0.00 0.00 -1.31 0.00 0.00 43.02 37.93 1s1s s PHE 39 CO 0.01 -1.72 0.00 0.41 1.83 0.00 0.00 175.22 175.75 1s1s n GLY 40 N 1.11 1.09 3.44 13.12 0.00 -0.77 -4.94 105.19 118.24 1s1s n GLY 40 Ca 0.01 0.31 -0.54 0.00 0.00 0.00 0.00 46.02 45.79 1s1s n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s1s n ASP 41 N 0.00 -0.47 -0.61 1.61 9.92 -1.26 -1.26 116.55 124.48 1s1s n ASP 41 Ca 0.00 1.14 -0.08 0.00 -0.53 0.00 0.00 54.79 55.32 1s1s n ASP 41 Cb 0.00 -0.92 -0.03 0.00 -0.64 0.00 0.00 41.12 39.52 1s1s n ASP 41 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1s1s n MET 42 N 1.30 -1.79 -2.42 -1.24 2.81 -1.26 -2.65 117.12 111.88 1s1s n MET 42 Ca 0.19 0.76 -0.14 0.00 -1.81 0.00 0.00 57.70 56.70 1s1s n MET 42 Cb 0.14 -5.19 0.00 0.00 -0.71 0.00 0.00 33.22 27.46 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 -1.07 -4.39 -3.32 7.83 3.02 -0.39 -4.86 115.26 112.08 1s1s n ASN 43 Ca -0.08 -0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.22 1s1s n ASN 43 Cb 0.56 -3.47 -0.05 0.00 -0.61 0.00 0.00 39.78 36.22 1s1s n ASN 43 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1s1s n ILE 44 N -4.04 0.00 -3.91 2.41 -5.35 -1.08 -1.25 119.36 106.14 1s1s n ILE 44 Ca -0.14 -1.62 -0.25 0.00 -0.27 0.00 0.00 62.75 60.47 1s1s n ILE 44 Cb 0.61 0.50 -0.03 0.00 -1.74 0.00 0.00 39.64 38.99 1s1s n ILE 44 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1s1s s TYR 45 N -2.48 3.48 -0.02 4.28 1.51 -0.31 -1.85 117.35 121.96 1s1s s TYR 45 Ca 0.10 0.13 -0.08 0.00 -1.01 0.00 0.00 57.07 56.20 1s1s s TYR 45 Cb 0.00 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1s1s s TYR 45 CO 0.07 0.48 0.17 -1.01 -1.11 0.00 0.00 175.55 174.15 1s1s s HIS 46 N -1.81 -0.06 -0.21 2.71 3.76 -0.63 -0.69 115.29 118.37 1s1s s HIS 46 Ca 0.35 0.10 -0.07 0.00 -0.15 0.00 0.00 55.06 55.29 1s1s s HIS 46 Cb -0.11 0.00 -0.03 0.00 1.11 0.00 0.00 32.58 33.55 1s1s s HIS 46 CO 0.29 -0.24 0.05 0.50 -0.85 0.00 0.00 174.74 174.48 1s1s s ARG 47 N -0.94 3.79 0.50 1.40 6.06 0.12 -0.31 118.95 129.57 1s1s s ARG 47 Ca -0.10 -0.43 0.08 0.00 -2.50 0.00 0.00 55.73 52.78 1s1s s ARG 47 Cb -0.06 -3.21 0.04 0.00 0.06 0.00 0.00 34.95 31.78 1s1s s ARG 47 CO 0.01 0.07 0.57 -1.01 -2.50 0.00 0.00 175.30 172.45 1s1s s HIS 48 N 0.90 2.03 -0.59 5.12 3.76 -1.26 0.34 115.29 125.59 1s1s s HIS 48 Ca 0.03 -0.63 0.25 0.00 -0.15 0.00 0.00 55.06 54.56 1s1s s HIS 48 Cb -0.14 -2.18 0.86 0.00 1.11 0.00 0.00 32.58 32.24 1s1s s HIS 48 CO 0.02 -0.63 1.76 -0.07 -0.85 0.00 0.00 174.74 174.96 1s1s h LEU 49 N 0.58 0.00 -9.13 0.89 4.07 -1.72 -3.45 115.31 106.55 1s1s h LEU 49 Ca -0.36 0.00 -0.64 0.00 0.08 0.00 0.00 57.88 56.96 1s1s h LEU 49 Cb 1.28 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.86 1s1s h LEU 49 CO 0.49 0.00 -0.79 -0.44 -1.08 0.00 0.00 178.44 176.62 1s1s s SER 50 N -4.61 3.60 0.07 -0.43 0.01 -1.25 -5.06 113.70 106.03 1s1s s SER 50 Ca 0.08 -0.88 -0.31 0.00 1.31 0.00 0.00 55.95 56.15 1s1s s SER 50 Cb 0.11 -0.33 -0.18 0.00 0.21 0.00 0.00 66.02 65.83 1s1s s SER 50 CO 0.53 0.09 1.64 -0.65 0.41 0.00 0.00 173.24 175.27 1s1s h PRO 51 N 2.86 -0.73 0.00 12.44 0.11 -1.91 -2.72 132.00 142.05 1s1s h PRO 51 Ca -0.44 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1s1s h PRO 51 Cb 1.22 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1s1s h PRO 51 CO 0.52 -0.49 0.00 -0.40 -0.21 0.00 0.00 178.00 177.42 1s1s n ASP 52 N -5.42 0.00 -0.06 -2.05 5.68 -1.26 -4.77 116.55 108.67 1s1s n ASP 52 Ca -0.12 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.16 1s1s n ASP 52 Cb 0.32 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.29 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 -0.82 0.49 3.88 6.12 0.00 -1.03 -5.04 105.19 108.79 1s1s n GLY 53 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.38 6.57 0.00 1.61 1.04 -1.26 -4.86 113.70 114.41 1s1s s SER 54 Ca 0.00 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1s1s s SER 54 Cb 0.00 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1s1s s SER 54 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1s1s n GLY 55 N -0.56 0.06 3.76 7.32 0.00 -1.26 -3.78 105.19 110.74 1s1s n GLY 55 Ca 0.00 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.20 2.94 0.09 1.61 0.04 -1.26 -4.80 135.00 132.42 1s1s s PRO 56 Ca 0.00 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 1s1s s PRO 56 Cb 0.00 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1s1s s PRO 56 CO 0.00 -1.18 0.92 0.00 0.04 0.00 0.00 177.00 176.78 1s1s s ALA 57 N -1.95 3.26 -0.08 8.56 0.00 -1.26 -3.63 121.76 126.66 1s1s s ALA 57 Ca 0.72 0.51 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 1s1s s ALA 57 Cb -0.25 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1s1s s ALA 57 CO 0.35 -0.02 0.19 -0.07 0.00 0.00 0.00 175.76 176.21 1s1s h LEU 58 N 5.68 -0.13 -7.89 0.00 3.38 -0.42 -3.48 115.31 112.45 1s1s h LEU 58 Ca -0.43 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.35 1s1s h LEU 58 Cb 1.21 0.03 -0.22 0.00 0.09 0.00 0.00 40.66 41.77 1s1s h LEU 58 CO 0.72 0.36 -0.66 0.72 0.09 0.00 0.00 178.44 179.67 1s1s s PHE 59 N -2.05 0.17 0.44 1.13 -0.12 -1.22 -4.34 117.98 111.98 1s1s s PHE 59 Ca -0.02 -0.36 0.07 0.00 -0.05 0.00 0.00 56.93 56.57 1s1s s PHE 59 Cb 0.00 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 1s1s s PHE 59 CO 0.08 -0.17 0.33 -1.12 -0.05 0.00 0.00 175.22 174.28 1s1s s SER 60 N -1.19 4.79 -0.06 1.98 0.01 -0.41 0.12 113.70 118.95 1s1s s SER 60 Ca -0.13 -0.94 -0.02 0.00 1.31 0.00 0.00 55.95 56.17 1s1s s SER 60 Cb -0.08 -0.36 0.04 0.00 0.21 0.00 0.00 66.02 65.83 1s1s s SER 60 CO -0.00 -0.71 0.11 -0.22 0.41 0.00 0.00 173.24 172.83 1s1s s LEU 61 N -4.10 0.49 0.22 2.44 0.20 0.14 -1.57 118.68 116.50 1s1s s LEU 61 Ca 0.44 0.22 0.07 0.00 0.69 0.00 0.00 54.13 55.55 1s1s s LEU 61 Cb -0.01 0.17 -0.05 0.00 -0.43 0.00 0.00 46.19 45.87 1s1s s LEU 61 CO 0.25 -0.19 -0.12 0.00 -0.29 0.00 0.00 176.35 176.00 1s1s s ALA 62 N 1.61 2.06 0.06 5.97 0.00 -0.25 -1.16 121.76 130.06 1s1s s ALA 62 Ca -0.04 -1.71 -0.27 0.00 0.00 0.00 0.00 51.96 49.94 1s1s s ALA 62 Cb -0.12 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 1s1s s ALA 62 CO -0.05 0.02 0.85 1.21 0.00 0.00 0.00 175.76 177.80 1s1s s ASN 63 N -3.34 7.33 0.44 0.00 3.04 -0.36 -0.43 114.94 121.61 1s1s s ASN 63 Ca 0.24 1.59 0.15 0.00 0.04 0.00 0.00 52.86 54.87 1s1s s ASN 63 Cb 0.00 -2.52 1.06 0.00 -1.54 0.00 0.00 41.25 38.26 1s1s s ASN 63 CO 0.08 -0.04 1.98 0.24 -3.04 0.00 0.00 177.10 176.32 1s1s h MET 64 N 5.76 0.36 -6.37 0.43 2.86 -1.39 -3.32 114.93 113.26 1s1s h MET 64 Ca -0.43 -0.02 -0.55 0.00 -2.06 0.00 0.00 59.70 56.64 1s1s h MET 64 Cb 1.21 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 1s1s h MET 64 CO 0.72 0.24 0.58 0.08 1.06 0.00 0.00 176.91 179.58 1s1s s VAL 65 N -5.35 4.39 0.51 -2.22 1.01 -1.26 -4.79 120.40 112.69 1s1s s VAL 65 Ca -0.07 1.71 -0.22 0.00 0.00 0.00 0.00 61.98 63.39 1s1s s VAL 65 Cb 0.20 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 1s1s s VAL 65 CO 0.75 0.06 1.25 1.17 0.00 0.00 0.00 175.10 178.33 1s1s n LYS 66 N 4.57 1.62 0.00 2.72 4.81 -1.26 0.90 118.16 131.51 1s1s n LYS 66 Ca 0.09 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1s1s n LYS 66 Cb 0.48 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.10 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 -0.64 0.99 -0.84 1.64 -0.04 -1.26 -4.89 135.00 129.97 1s1s n PRO 67 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1s1s n PRO 67 Cb 0.43 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.33 0.72 3.96 0.55 0.00 0.26 -4.98 105.19 106.03 1s1s n GLY 68 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.69 4.06 0.43 2.61 -4.23 -1.26 -1.23 115.64 113.33 1s1s s THR 69 Ca 0.00 -0.62 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 1s1s s THR 69 Cb 0.00 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 1s1s s THR 69 CO 0.00 -0.30 0.09 -0.36 -0.54 0.00 0.00 174.62 173.51 1s1s s PHE 70 N -2.45 1.85 -0.26 3.99 0.40 -0.38 -4.69 117.98 116.42 1s1s s PHE 70 Ca 0.47 -1.15 -0.03 0.00 -0.60 0.00 0.00 56.93 55.62 1s1s s PHE 70 Cb -0.10 -1.31 0.11 0.00 0.51 0.00 0.00 43.02 42.23 1s1s s PHE 70 CO 0.36 -0.11 0.20 0.34 0.70 0.00 0.00 175.22 176.72 1s1s s ASP 71 N -3.67 2.36 0.54 1.36 2.15 -1.26 -4.85 116.67 113.31 1s1s s ASP 71 Ca 0.21 -0.84 0.36 0.00 0.43 0.00 0.00 52.55 52.71 1s1s s ASP 71 Cb 0.03 0.10 1.54 0.00 -0.30 0.00 0.00 42.92 44.30 1s1s s ASP 71 CO 0.12 -0.39 1.81 -0.65 -0.17 0.00 0.00 175.17 175.88 1s1s h PRO 72 N 8.34 0.01 -2.18 4.34 0.11 -2.00 -2.54 132.00 138.07 1s1s h PRO 72 Ca -0.17 -0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.22 1s1s h PRO 72 Cb 1.07 -0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.85 1s1s h PRO 72 CO 0.36 0.01 0.40 0.39 -0.21 0.00 0.00 178.00 178.95 1s1s n GLU 73 N -4.20 4.32 -3.22 1.05 -0.58 -1.26 -4.79 120.64 111.97 1s1s n GLU 73 Ca 0.25 -4.59 -0.01 0.00 -0.42 0.00 0.00 57.16 52.39 1s1s n GLU 73 Cb 1.23 -2.36 -0.02 0.00 -0.57 0.00 0.00 31.44 29.72 1s1s n GLU 73 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1s1s s MET 74 N -3.99 0.63 -0.50 3.49 1.75 -0.96 -5.10 119.30 114.62 1s1s s MET 74 Ca 0.44 0.07 0.01 0.00 -1.25 0.00 0.00 55.69 54.96 1s1s s MET 74 Cb 0.26 0.01 0.13 0.00 2.84 0.00 0.00 34.83 38.07 1s1s s MET 74 CO -0.17 -1.11 0.26 0.15 -0.65 0.00 0.00 175.02 173.50 1s1s s LYS 75 N 2.32 2.05 0.00 4.11 3.01 -1.26 -4.50 119.74 125.48 1s1s s LYS 75 Ca 0.13 -2.33 0.00 0.00 -1.01 0.00 0.00 55.97 52.76 1s1s s LYS 75 Cb -0.09 -3.46 0.00 0.00 -1.01 0.00 0.00 37.83 33.27 1s1s s LYS 75 CO -0.18 -1.09 0.08 -3.47 0.51 0.00 0.00 175.35 171.19 1s1s n ASP 76 N 3.67 0.00 -4.73 2.83 2.03 -1.26 -4.95 116.55 114.14 1s1s n ASP 76 Ca 0.04 -0.31 -0.24 0.00 0.52 0.00 0.00 54.79 54.81 1s1s n ASP 76 Cb 0.37 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.71 1s1s n ASP 76 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1s1s s PHE 77 N 0.00 2.92 0.24 -0.67 -0.12 -1.26 -5.03 117.98 114.06 1s1s s PHE 77 Ca 0.00 -0.14 0.03 0.00 -0.05 0.00 0.00 56.93 56.76 1s1s s PHE 77 Cb 0.00 -1.34 -0.05 0.00 -0.63 0.00 0.00 43.02 41.00 1s1s s PHE 77 CO 0.00 0.55 0.02 0.95 -0.05 0.00 0.00 175.22 176.70 1s1s s THR 78 N -2.08 0.89 -0.02 -4.49 -4.23 -1.26 -0.72 115.64 103.73 1s1s s THR 78 Ca 0.31 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.62 1s1s s THR 78 Cb -0.08 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.38 1s1s s THR 78 CO 0.22 -0.25 0.40 0.28 -0.54 0.00 0.00 174.62 174.73 1s1s s THR 79 N -3.52 0.05 0.38 3.99 -1.32 -0.88 -4.88 115.64 109.45 1s1s s THR 79 Ca 0.31 -0.38 0.09 0.00 -1.21 0.00 0.00 61.69 60.50 1s1s s THR 79 Cb 0.06 -0.74 0.15 0.00 -1.51 0.00 0.00 72.50 70.47 1s1s s THR 79 CO 0.10 -0.21 1.89 -0.65 -2.21 0.00 0.00 174.62 173.54 1s1s h PRO 80 N 3.59 0.25 0.00 7.08 0.11 -1.90 -0.54 132.00 140.58 1s1s h PRO 80 Ca -0.29 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1s1s h PRO 80 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1s1s h PRO 80 CO 0.40 0.40 0.00 0.41 -0.21 0.00 0.00 178.00 179.01 1s1s n GLY 81 N -0.81 -2.08 3.17 -0.55 0.00 -1.26 -1.85 105.19 101.80 1s1s n GLY 81 Ca -0.01 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.32 0.92 -0.16 1.61 -7.23 -0.66 -0.99 120.40 111.56 1s1s s VAL 82 Ca 0.00 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1s1s s VAL 82 Cb 0.00 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.64 1s1s s VAL 82 CO 0.00 -0.54 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.20 1s1s s THR 83 N -2.35 2.58 -0.21 5.32 2.01 0.42 -1.00 115.64 122.42 1s1s s THR 83 Ca 0.04 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.18 1s1s s THR 83 Cb -0.03 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1s1s s THR 83 CO 0.00 0.52 0.05 -0.63 -0.69 0.00 0.00 174.62 173.87 1s1s s ILE 84 N 0.89 4.41 0.09 1.82 1.01 0.43 -1.09 121.20 128.77 1s1s s ILE 84 Ca -0.04 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.52 1s1s s ILE 84 Cb -0.15 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1s1s s ILE 84 CO -0.02 0.41 -0.17 0.72 0.00 0.00 0.00 174.94 175.89 1s1s s PHE 85 N 0.96 1.45 -0.12 3.97 -0.71 -0.61 -1.31 117.98 121.60 1s1s s PHE 85 Ca 0.03 -0.46 -0.02 0.00 -1.04 0.00 0.00 56.93 55.44 1s1s s PHE 85 Cb -0.14 -0.80 0.04 0.00 -1.21 0.00 0.00 43.02 40.92 1s1s s PHE 85 CO 0.03 0.12 0.03 1.41 -1.34 0.00 0.00 175.22 175.46 1s1s s MET 86 N -1.92 0.54 0.35 1.99 1.75 0.05 -1.28 119.30 120.77 1s1s s MET 86 Ca 0.02 -0.08 -0.25 0.00 -1.25 0.00 0.00 55.69 54.14 1s1s s MET 86 Cb -0.09 -1.43 -0.10 0.00 2.84 0.00 0.00 34.83 36.05 1s1s s MET 86 CO 0.03 -0.46 0.95 -0.65 -0.65 0.00 0.00 175.02 174.25 1s1s s GLN 87 N 1.96 4.48 0.04 4.11 -0.21 -1.26 0.42 119.66 129.19 1s1s s GLN 87 Ca 0.03 1.30 0.04 0.00 0.02 0.00 0.00 55.36 56.75 1s1s s GLN 87 Cb -0.14 -2.65 -0.02 0.00 1.00 0.00 0.00 33.01 31.20 1s1s s GLN 87 CO -0.06 0.18 -0.13 0.14 -2.12 0.00 0.00 175.29 173.29 1s1s s VAL 88 N -1.74 1.03 0.54 1.09 -7.23 0.14 -3.80 120.40 110.43 1s1s s VAL 88 Ca 0.53 -0.95 -0.20 0.00 -1.81 0.00 0.00 61.98 59.56 1s1s s VAL 88 Cb -0.17 -0.94 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 1s1s s VAL 88 CO 0.22 -0.01 1.13 -2.16 -0.31 0.00 0.00 175.10 173.97 1s1s s PRO 89 N -1.09 3.36 0.24 4.82 0.04 -1.26 -1.49 135.00 139.62 1s1s s PRO 89 Ca 0.01 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.68 1s1s s PRO 89 Cb -0.08 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 1s1s s PRO 89 CO 0.01 -0.85 0.03 -1.13 0.04 0.00 0.00 177.00 175.10 1s1s n SER 90 N -1.28 2.16 -4.92 6.66 3.41 -1.25 -5.07 113.62 113.34 1s1s n SER 90 Ca 0.12 -2.13 -0.27 0.00 -0.26 0.00 0.00 58.87 56.33 1s1s n SER 90 Cb 0.51 0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.73 1s1s n SER 90 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1s1s s TYR 91 N -2.07 3.49 -0.64 7.33 1.51 -1.26 -4.80 117.35 120.91 1s1s s TYR 91 Ca 0.04 0.52 -0.19 0.00 -1.01 0.00 0.00 57.07 56.42 1s1s s TYR 91 Cb 0.00 -2.01 0.03 0.00 -0.11 0.00 0.00 41.96 39.87 1s1s s TYR 91 CO 0.03 0.18 0.64 0.41 -1.11 0.00 0.00 175.55 175.69 1s1s n GLY 92 N -1.17 -0.62 2.14 0.71 0.00 -1.26 -4.49 105.19 100.50 1s1s n GLY 92 Ca -0.03 0.89 -0.04 0.00 0.00 0.00 0.00 46.02 46.84 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 -1.39 -4.86 -0.26 1.61 -0.08 -1.26 -4.73 116.55 105.58 1s1s n ASP 93 Ca -0.19 0.29 0.07 0.00 -1.51 0.00 0.00 54.79 53.45 1s1s n ASP 93 Cb 0.68 -3.11 0.21 0.00 2.34 0.00 0.00 41.12 41.24 1s1s n ASP 93 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1s1s h GLU 94 N 0.99 0.33 -0.60 -0.67 3.07 -1.87 -1.71 114.58 114.11 1s1s h GLU 94 Ca 0.00 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1s1s h GLU 94 Cb 0.45 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 1s1s h GLU 94 CO 0.09 0.22 0.35 -0.07 -1.40 0.00 0.00 179.01 178.20 1s1s h LEU 95 N 0.34 0.56 -0.95 1.33 3.38 -1.97 0.23 115.31 118.22 1s1s h LEU 95 Ca 0.45 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.32 1s1s h LEU 95 Cb 0.77 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1s1s h LEU 95 CO -0.49 0.38 -0.43 1.56 0.09 0.00 0.00 178.44 179.56 1s1s h GLN 96 N 0.69 0.20 -0.51 1.13 1.08 -1.73 -2.47 115.11 113.50 1s1s h GLN 96 Ca 0.25 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.24 1s1s h GLN 96 Cb 0.08 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1s1s h GLN 96 CO -0.13 0.60 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.14 1s1s h LEU 97 N 0.17 0.97 -1.17 1.46 3.38 -0.35 -2.23 115.31 117.54 1s1s h LEU 97 Ca 0.01 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1s1s h LEU 97 Cb 0.83 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1s1s h LEU 97 CO 0.06 1.10 0.05 0.15 0.09 0.00 0.00 178.44 179.90 1s1s h PHE 98 N 0.86 0.64 -0.45 1.13 3.57 -0.33 -0.69 116.94 121.67 1s1s h PHE 98 Ca 0.13 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1s1s h PHE 98 Cb 0.69 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1s1s h PHE 98 CO 0.04 0.59 0.12 -0.22 -2.23 0.00 0.00 178.31 176.62 1s1s h LYS 99 N 0.60 0.71 -0.52 1.11 3.64 -1.14 -1.14 116.57 119.84 1s1s h LYS 99 Ca 0.13 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1s1s h LYS 99 Cb 0.31 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1s1s h LYS 99 CO 0.01 0.70 0.17 1.25 -2.27 0.00 0.00 179.45 179.30 1s1s h LEU 100 N 0.59 0.70 0.25 5.20 5.85 -0.87 0.50 115.31 127.52 1s1s h LEU 100 Ca 0.14 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1s1s h LEU 100 Cb 0.29 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1s1s h LEU 100 CO -0.00 0.66 -0.12 -0.03 -0.34 0.00 0.00 178.44 178.61 1s1s h MET 101 N 0.75 -0.32 -0.32 1.25 4.05 -0.75 0.13 114.93 119.71 1s1s h MET 101 Ca 0.17 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.66 1s1s h MET 101 Cb 0.21 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.04 1s1s h MET 101 CO -0.01 -0.15 0.09 -0.07 0.23 0.00 0.00 176.91 177.00 1s1s h LEU 102 N -0.41 0.07 -0.44 3.39 3.38 -0.78 -0.45 115.31 120.06 1s1s h LEU 102 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s1s h LEU 102 Cb 0.31 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1s1s h LEU 102 CO 0.06 0.08 0.28 -0.61 0.09 0.00 0.00 178.44 178.33 1s1s h GLN 103 N 0.21 0.59 0.14 1.13 4.15 -0.73 -1.33 115.11 119.27 1s1s h GLN 103 Ca 0.15 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.52 1s1s h GLN 103 Cb 0.14 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1s1s h GLN 103 CO -0.17 0.41 -0.07 0.77 -1.93 0.00 0.00 178.83 177.84 1s1s h SER 104 N 0.59 -0.17 -0.23 -0.69 0.02 -0.42 0.11 113.55 112.76 1s1s h SER 104 Ca 0.16 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 1s1s h SER 104 Cb -0.03 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 1s1s h SER 104 CO -0.03 -0.12 -0.18 0.00 -1.14 0.00 0.00 176.83 175.36 1s1s h ALA 105 N 0.67 -0.03 0.00 3.77 0.00 -0.89 0.53 119.26 123.32 1s1s h ALA 105 Ca -0.02 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1s1s h ALA 105 Cb 0.15 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1s1s h ALA 105 CO 0.03 -0.60 -0.48 0.37 0.00 0.00 0.00 179.25 178.57 1s1s h GLN 106 N -0.18 0.00 -0.47 0.00 5.75 -1.13 0.14 115.11 119.22 1s1s h GLN 106 Ca 0.13 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 1s1s h GLN 106 Cb 0.38 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1s1s h GLN 106 CO -0.34 0.48 -0.08 1.25 -2.65 0.00 0.00 178.83 177.49 1s1s h HIS 107 N 0.00 0.91 -0.16 3.99 2.76 0.04 -0.23 115.15 122.47 1s1s h HIS 107 Ca -0.00 -0.16 -0.06 0.00 -2.20 0.00 0.00 60.37 57.95 1s1s h HIS 107 Cb 0.86 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.58 1s1s h HIS 107 CO 0.00 0.87 -0.13 0.82 -1.30 0.00 0.00 177.93 178.19 1s1s h ILE 108 N 0.76 1.33 -0.87 6.26 2.04 -0.38 -2.98 117.51 123.67 1s1s h ILE 108 Ca 0.13 -1.25 0.13 0.00 1.00 0.00 0.00 64.86 64.86 1s1s h ILE 108 Cb 0.57 1.82 -0.09 0.00 -0.74 0.00 0.00 36.82 38.38 1s1s h ILE 108 CO 0.03 0.37 0.48 0.00 0.00 0.00 0.00 178.15 179.03 1s1s h ALA 109 N 0.63 1.29 -0.41 1.87 0.00 -0.67 -1.93 119.26 120.05 1s1s h ALA 109 Ca 0.03 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1s1s h ALA 109 Cb 0.64 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1s1s h ALA 109 CO 0.03 0.01 -0.02 -0.44 0.00 0.00 0.00 179.25 178.83 1s1s h ASP 110 N 0.73 0.64 -0.11 0.00 3.32 -0.93 0.44 116.42 120.51 1s1s h ASP 110 Ca 0.45 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 1s1s h ASP 110 Cb 0.55 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1s1s h ASP 110 CO -0.31 0.72 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.43 1s1s h GLU 111 N 0.63 0.31 -0.01 3.56 4.39 -1.23 -3.23 114.58 118.99 1s1s h GLU 111 Ca 0.12 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1s1s h GLU 111 Cb 0.43 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1s1s h GLU 111 CO 0.02 0.76 -0.29 1.33 -1.16 0.00 0.00 179.01 179.67 1s1s n VAL 112 N -4.55 0.00 -3.15 3.13 0.24 -0.87 -4.96 118.33 108.17 1s1s n VAL 112 Ca -0.07 -0.12 -0.14 0.00 -2.04 0.00 0.00 64.34 61.97 1s1s n VAL 112 Cb 0.39 0.41 0.06 0.00 -1.47 0.00 0.00 33.84 33.23 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 1.36 -0.16 0.00 7.63 0.00 0.14 -4.82 105.19 109.34 1s1s n GLY 113 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.26 4.76 3.08 -0.02 0.00 -0.04 -4.57 105.19 107.14 1s1s n GLY 114 Ca -0.15 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.63 1s1s n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s1s s VAL 115 N 0.72 0.71 -0.26 1.61 -7.23 0.35 -4.71 120.40 111.59 1s1s s VAL 115 Ca 0.00 -0.99 -0.26 0.00 -1.81 0.00 0.00 61.98 58.92 1s1s s VAL 115 Cb 0.00 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.23 1s1s s VAL 115 CO 0.00 -0.22 0.93 -0.69 -0.31 0.00 0.00 175.10 174.80 1s1s s VAL 116 N -1.10 4.73 0.12 1.32 1.01 -1.26 -0.37 120.40 124.86 1s1s s VAL 116 Ca -0.05 1.67 0.08 0.00 0.00 0.00 0.00 61.98 63.68 1s1s s VAL 116 Cb -0.09 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1s1s s VAL 116 CO 0.01 -0.20 -0.14 -0.76 0.00 0.00 0.00 175.10 174.00 1s1s s LEU 117 N 3.10 2.84 0.00 3.92 1.43 0.15 -3.05 118.68 127.08 1s1s s LEU 117 Ca 0.39 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1s1s s LEU 117 Cb -0.14 -1.65 0.11 0.00 0.03 0.00 0.00 46.19 44.54 1s1s s LEU 117 CO 0.09 0.17 0.58 -0.90 0.23 0.00 0.00 176.35 176.52 1s1s n ASP 118 N 0.64 -0.34 0.06 2.29 5.68 0.10 0.72 116.55 125.70 1s1s n ASP 118 Ca -0.14 -1.12 0.06 0.00 -0.50 0.00 0.00 54.79 53.10 1s1s n ASP 118 Cb 0.53 -0.47 0.30 0.00 -1.14 0.00 0.00 41.12 40.34 1s1s n ASP 118 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1s1s n ASP 119 N -3.51 0.26 -1.10 -1.12 5.75 -0.87 -1.07 116.55 114.88 1s1s n ASP 119 Ca 0.07 0.60 0.08 0.00 -0.01 0.00 0.00 54.79 55.54 1s1s n ASP 119 Cb 0.27 -0.64 0.26 0.00 -1.03 0.00 0.00 41.12 39.98 1s1s n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s1s n GLN 120 N -1.82 3.09 -2.33 0.11 1.13 -1.26 -4.95 117.38 111.35 1s1s n GLN 120 Ca 0.01 -2.53 -0.18 0.00 -1.94 0.00 0.00 57.00 52.36 1s1s n GLN 120 Cb 0.08 -1.58 -0.01 0.00 0.11 0.00 0.00 30.24 28.84 1s1s n GLN 120 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1s1s n ARG 121 N 0.83 -1.44 -4.27 -1.09 5.12 -0.23 -5.01 116.66 110.58 1s1s n ARG 121 Ca 0.20 0.88 -0.23 0.00 -1.93 0.00 0.00 57.85 56.77 1s1s n ARG 121 Cb 0.66 -5.38 -0.07 0.00 -1.16 0.00 0.00 32.46 26.51 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 -4.87 2.33 0.38 5.56 0.52 -1.26 -4.81 118.95 116.79 1s1s s ARG 122 Ca 0.00 -1.42 -0.28 0.00 -0.52 0.00 0.00 55.73 53.51 1s1s s ARG 122 Cb 0.00 -2.18 -0.10 0.00 0.52 0.00 0.00 34.95 33.19 1s1s s ARG 122 CO 0.00 0.34 1.40 -1.64 0.02 0.00 0.00 175.30 175.42 1s1s s MET 123 N -3.70 4.11 0.30 3.54 -1.94 -1.26 0.01 119.30 120.36 1s1s s MET 123 Ca 0.32 2.40 -0.30 0.00 -1.71 0.00 0.00 55.69 56.40 1s1s s MET 123 Cb -0.06 -2.94 -0.12 0.00 2.01 0.00 0.00 34.83 33.73 1s1s s MET 123 CO 0.20 -0.46 1.57 -0.12 -0.01 0.00 0.00 175.02 176.20 1s1s n MET 124 N 0.44 2.64 -4.27 2.03 1.56 -1.17 -4.72 117.12 113.63 1s1s n MET 124 Ca 0.01 0.94 -0.20 0.00 -0.27 0.00 0.00 57.70 58.19 1s1s n MET 124 Cb 0.41 -2.70 -0.11 0.00 2.15 0.00 0.00 33.22 32.96 1s1s n MET 124 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1s1s s THR 125 N -0.11 1.51 0.24 1.12 -4.23 -1.26 -5.04 115.64 107.87 1s1s s THR 125 Ca 0.63 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.34 1s1s s THR 125 Cb -0.51 -1.63 0.21 0.00 1.34 0.00 0.00 72.50 71.91 1s1s s THR 125 CO 0.50 -0.35 1.77 -0.65 -0.54 0.00 0.00 174.62 175.34 1s1s h PRO 126 N 3.48 0.57 0.00 3.99 0.11 -2.00 -1.20 132.00 136.96 1s1s h PRO 126 Ca -0.41 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1s1s h PRO 126 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1s1s h PRO 126 CO 0.50 0.38 -0.25 0.37 -0.21 0.00 0.00 178.00 178.78 1s1s h GLN 127 N 0.59 0.00 -0.02 1.05 5.75 -1.99 -2.06 115.11 118.43 1s1s h GLN 127 Ca 0.40 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.69 1s1s h GLN 127 Cb 0.50 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.05 1s1s h GLN 127 CO -0.32 0.25 -0.87 -0.22 -2.65 0.00 0.00 178.83 175.02 1s1s h LYS 128 N 0.00 0.36 -0.44 1.69 1.63 -1.66 -2.19 116.57 115.96 1s1s h LYS 128 Ca -0.00 -0.36 -0.02 0.00 -0.85 0.00 0.00 60.65 59.42 1s1s h LYS 128 Cb 0.58 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1s1s h LYS 128 CO 0.03 1.04 0.20 -0.07 -3.45 0.00 0.00 179.45 177.20 1s1s h LEU 129 N 0.21 0.59 -1.23 5.20 3.38 -0.80 -1.82 115.31 120.84 1s1s h LEU 129 Ca -0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1s1s h LEU 129 Cb 1.49 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1s1s h LEU 129 CO 0.15 0.56 0.32 0.03 0.09 0.00 0.00 178.44 179.59 1s1s h ARG 130 N 0.58 0.85 -0.08 1.13 3.08 -1.35 -2.11 114.38 116.48 1s1s h ARG 130 Ca 0.15 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1s1s h ARG 130 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1s1s h ARG 130 CO -0.02 0.64 -0.23 0.93 -1.07 0.00 0.00 179.97 180.22 1s1s h GLU 131 N 0.85 0.13 -0.24 0.04 5.08 -0.73 0.98 114.58 120.69 1s1s h GLU 131 Ca 0.22 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.36 1s1s h GLU 131 Cb 0.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1s1s h GLU 131 CO -0.03 0.36 -0.56 1.88 -1.00 0.00 0.00 179.01 179.66 1s1s h TYR 132 N 0.12 1.03 -0.51 4.33 0.99 -0.70 -2.41 116.97 119.82 1s1s h TYR 132 Ca 0.02 -0.39 -0.08 0.00 2.00 0.00 0.00 58.73 60.28 1s1s h TYR 132 Cb 0.48 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 38.01 1s1s h TYR 132 CO 0.00 1.21 0.01 1.96 -0.00 0.00 0.00 178.16 181.34 1s1s h GLN 133 N 0.56 0.89 -0.59 4.88 4.20 -1.01 -1.66 115.11 122.38 1s1s h GLN 133 Ca -0.00 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.47 1s1s h GLN 133 Cb 1.18 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.83 1s1s h GLN 133 CO 0.12 0.92 0.34 -0.44 -0.67 0.00 0.00 178.83 179.10 1s1s h ASP 134 N 0.75 0.53 -0.06 1.46 3.32 -0.76 -0.45 116.42 121.21 1s1s h ASP 134 Ca 0.14 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1s1s h ASP 134 Cb 0.51 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1s1s h ASP 134 CO 0.02 0.36 -0.03 0.40 -1.72 0.00 0.00 179.24 178.28 1s1s h ILE 135 N 0.66 0.91 -0.69 0.35 2.04 -1.17 0.60 117.51 120.21 1s1s h ILE 135 Ca 0.25 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.23 1s1s h ILE 135 Cb 0.09 0.91 -0.09 0.00 -0.74 0.00 0.00 36.82 36.99 1s1s h ILE 135 CO -0.13 0.00 0.26 0.40 0.00 0.00 0.00 178.15 178.67 1s1s h ILE 136 N -0.02 0.70 -0.44 -0.67 2.04 -0.58 0.24 117.51 118.78 1s1s h ILE 136 Ca 0.04 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1s1s h ILE 136 Cb 0.07 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1s1s h ILE 136 CO -0.08 0.08 -0.08 0.03 0.00 0.00 0.00 178.15 178.10 1s1s h ARG 137 N 0.42 0.83 -0.22 2.37 3.08 -0.41 -0.90 114.38 119.55 1s1s h ARG 137 Ca 0.36 -0.30 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1s1s h ARG 137 Cb 0.51 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1s1s h ARG 137 CO -0.37 0.93 0.05 1.49 -1.07 0.00 0.00 179.97 181.00 1s1s h GLU 138 N 0.66 0.13 -0.28 0.04 4.81 0.15 -0.91 114.58 119.17 1s1s h GLU 138 Ca 0.11 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1s1s h GLU 138 Cb 0.61 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1s1s h GLU 138 CO 0.04 0.09 0.05 0.28 -0.73 0.00 0.00 179.01 178.74 1s1s h VAL 139 N 0.13 1.23 -0.98 0.32 2.07 -0.48 -2.12 116.25 116.42 1s1s h VAL 139 Ca 0.10 -0.77 0.13 0.00 0.82 0.00 0.00 66.70 66.98 1s1s h VAL 139 Cb 0.09 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 1s1s h VAL 139 CO -0.13 0.25 0.62 0.50 0.02 0.00 0.00 177.57 178.83 1s1s h LYS 140 N 0.28 0.89 -0.01 1.57 3.64 -0.88 -1.71 116.57 120.35 1s1s h LYS 140 Ca 0.09 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1s1s h LYS 140 Cb 0.32 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1s1s h LYS 140 CO 0.00 0.59 -0.75 -0.44 -2.27 0.00 0.00 179.45 176.58 1s1s h ASP 141 N 0.92 0.12 0.81 4.20 3.32 -0.90 -3.05 116.42 121.83 1s1s h ASP 141 Ca 0.49 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1s1s h ASP 141 Cb 0.56 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1s1s h ASP 141 CO -0.26 0.82 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 1s1s n ALA 142 N -2.43 1.94 0.56 3.45 0.00 -0.66 -2.55 120.51 120.82 1s1s n ALA 142 Ca -0.02 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1s1s n ALA 142 Cb 0.72 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.83 1s1s n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s1s n ASN 143 N -1.72 1.68 0.00 0.00 4.13 -1.09 -4.82 115.26 113.44 1s1s n ASN 143 Ca 0.05 -1.34 0.09 0.00 1.68 0.00 0.00 54.58 55.06 1s1s n ASN 143 Cb 0.26 0.28 0.56 0.00 -1.54 0.00 0.00 39.78 39.35 1s1s n ASN 143 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54