#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2awk h GLY 4 N 0.00 0.61 1.93 3.14 0.00 -1.70 -2.35 103.07 104.69 2awk h GLY 4 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.21 2awk h GLY 4 CO 0.00 0.07 0.03 1.05 0.00 0.00 0.00 176.54 177.68 2awk h GLU 5 N 0.39 0.00 0.00 4.80 4.11 -1.90 -1.54 114.58 120.44 2awk h GLU 5 Ca 0.20 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.63 2awk h GLU 5 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2awk h GLU 5 CO -0.17 0.00 -0.02 0.93 0.07 0.00 0.00 179.01 179.82 2awk h GLU 6 N 0.00 0.00 0.00 1.06 5.08 -1.80 -1.56 114.58 117.36 2awk h GLU 6 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2awk h GLU 6 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2awk h GLU 6 CO -0.00 0.02 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 2awk n LEU 7 N -3.78 0.00 -0.11 1.33 4.77 -0.58 -3.72 117.00 114.92 2awk n LEU 7 Ca -0.03 0.37 0.05 0.00 -0.03 0.00 0.00 56.01 56.37 2awk n LEU 7 Cb 0.10 -0.37 0.08 0.00 -2.33 0.00 0.00 43.42 40.91 2awk n LEU 7 CO 0.27 -0.09 0.55 0.49 -1.33 0.00 0.00 177.39 177.28 2awk n PHE 8 N -1.37 0.07 0.57 -1.77 3.01 -0.59 -4.69 117.46 112.70 2awk n PHE 8 Ca 0.09 -0.73 0.13 0.00 1.01 0.00 0.00 57.45 57.95 2awk n PHE 8 Cb 0.21 -0.10 0.44 0.00 -0.01 0.00 0.00 39.48 40.02 2awk n PHE 8 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2awk n THR 9 N -0.83 0.65 -4.04 4.37 -2.24 -1.24 -4.20 114.28 106.74 2awk n THR 9 Ca 0.08 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 2awk n THR 9 Cb 0.45 -0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2awk n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2awk n GLY 10 N 0.88 4.10 3.72 3.38 0.00 -1.26 -4.83 105.19 111.18 2awk n GLY 10 Ca 0.04 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2awk n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2awk s VAL 11 N -1.38 3.86 -0.11 1.61 1.01 -1.26 -4.50 120.40 119.64 2awk s VAL 11 Ca 0.01 1.37 0.03 0.00 0.00 0.00 0.00 61.98 63.39 2awk s VAL 11 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2awk s VAL 11 CO 0.00 0.12 -0.23 -0.69 0.00 0.00 0.00 175.10 174.31 2awk s VAL 12 N 0.91 2.11 0.44 2.92 1.01 -0.08 -4.96 120.40 122.75 2awk s VAL 12 Ca 0.59 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 2awk s VAL 12 Cb -0.31 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 2awk s VAL 12 CO 0.30 0.55 1.21 -2.16 0.00 0.00 0.00 175.10 175.01 2awk s PRO 13 N 0.47 3.81 -0.04 2.72 0.05 -1.26 -1.17 135.00 139.58 2awk s PRO 13 Ca -0.15 1.92 0.05 0.00 0.05 0.00 0.00 61.00 62.87 2awk s PRO 13 Cb -0.17 -2.53 -0.01 0.00 0.05 0.00 0.00 34.50 31.84 2awk s PRO 13 CO 0.06 -0.55 -0.21 0.42 0.05 0.00 0.00 177.00 176.78 2awk s ILE 14 N -1.42 1.68 -0.03 0.56 1.01 0.07 -1.11 121.20 121.95 2awk s ILE 14 Ca 0.61 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.46 2awk s ILE 14 Cb -0.32 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 2awk s ILE 14 CO 0.40 0.48 -0.23 -0.76 0.00 0.00 0.00 174.94 174.83 2awk s LEU 15 N -0.13 2.03 -0.07 2.97 1.43 -0.47 -1.95 118.68 122.49 2awk s LEU 15 Ca -0.01 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2awk s LEU 15 Cb -0.12 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.90 2awk s LEU 15 CO 0.02 0.25 -0.14 -0.69 0.23 0.00 0.00 176.35 176.03 2awk s VAL 16 N -0.34 1.25 -0.09 -1.59 1.01 -0.27 -1.15 120.40 119.22 2awk s VAL 16 Ca 0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 2awk s VAL 16 Cb -0.11 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.17 2awk s VAL 16 CO 0.01 0.38 -0.04 -1.61 0.00 0.00 0.00 175.10 173.84 2awk s GLU 17 N 0.65 1.06 -0.05 2.72 0.41 -0.28 -0.22 118.70 122.99 2awk s GLU 17 Ca -0.15 -0.08 0.05 0.00 -0.41 0.00 0.00 54.97 54.38 2awk s GLU 17 Cb -0.16 -1.24 -0.01 0.00 -1.78 0.00 0.00 34.13 30.94 2awk s GLU 17 CO 0.04 -0.26 -0.21 -1.17 -0.49 0.00 0.00 175.26 173.17 2awk s LEU 18 N 1.73 1.99 -0.12 1.80 0.20 -0.14 -0.64 118.68 123.50 2awk s LEU 18 Ca 0.03 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.43 2awk s LEU 18 Cb -0.13 -1.16 -0.01 0.00 -0.43 0.00 0.00 46.19 44.46 2awk s LEU 18 CO -0.06 0.20 -0.16 -1.81 -0.29 0.00 0.00 176.35 174.23 2awk s ASP 19 N -0.05 3.75 0.11 3.68 1.01 -0.43 -1.15 116.67 123.58 2awk s ASP 19 Ca -0.04 -0.39 0.06 0.00 0.71 0.00 0.00 52.55 52.89 2awk s ASP 19 Cb -0.13 -1.55 -0.03 0.00 1.01 0.00 0.00 42.92 42.22 2awk s ASP 19 CO 0.03 0.16 -0.16 -0.83 0.21 0.00 0.00 175.17 174.59 2awk s GLY 20 N 0.34 1.07 -0.13 0.21 0.00 0.95 -1.03 107.32 108.74 2awk s GLY 20 Ca -0.13 -1.21 -0.04 0.00 0.00 0.00 0.00 44.72 43.34 2awk s GLY 20 CO 0.07 -1.25 0.13 -0.35 0.00 0.00 0.00 173.10 171.69 2awk s ASP 21 N -2.15 1.49 -0.23 1.64 -1.08 -0.57 -1.41 116.67 114.36 2awk s ASP 21 Ca 0.06 -0.14 0.02 0.00 -0.52 0.00 0.00 52.55 51.96 2awk s ASP 21 Cb -0.07 0.03 0.05 0.00 -1.46 0.00 0.00 42.92 41.46 2awk s ASP 21 CO 0.03 -0.30 -0.14 -0.69 0.52 0.00 0.00 175.17 174.60 2awk s VAL 22 N 2.22 2.07 -1.29 1.11 1.01 -0.42 -0.09 120.40 125.00 2awk s VAL 22 Ca 0.04 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 2awk s VAL 22 Cb -0.14 -2.08 0.06 0.00 0.00 0.00 0.00 36.38 34.22 2awk s VAL 22 CO -0.07 0.17 0.45 0.59 0.00 0.00 0.00 175.10 176.24 2awk n ASN 23 N 4.52 -4.03 0.00 3.32 4.13 -0.24 -0.79 115.26 122.17 2awk n ASN 23 Ca -0.16 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 55.78 2awk n ASN 23 Cb 0.45 -3.33 0.00 0.00 -1.54 0.00 0.00 39.78 35.36 2awk n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2awk n GLY 24 N -1.18 1.11 3.60 7.41 0.00 -1.26 -5.01 105.19 109.85 2awk n GLY 24 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2awk n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2awk s HIS 25 N -3.11 3.07 -0.09 1.61 3.76 0.03 -5.02 115.29 115.55 2awk s HIS 25 Ca 0.00 0.71 -0.11 0.00 -0.15 0.00 0.00 55.06 55.51 2awk s HIS 25 Cb 0.00 -3.62 -0.05 0.00 1.11 0.00 0.00 32.58 30.02 2awk s HIS 25 CO 0.00 -0.83 0.25 0.15 -0.85 0.00 0.00 174.74 173.47 2awk s LYS 26 N 3.42 3.76 0.17 1.40 1.02 -1.26 -1.30 119.74 126.95 2awk s LYS 26 Ca 0.37 0.09 -0.18 0.00 0.02 0.00 0.00 55.97 56.26 2awk s LYS 26 Cb -0.12 -3.25 0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2awk s LYS 26 CO 0.19 0.65 0.51 -0.59 -0.92 0.00 0.00 175.35 175.18 2awk s PHE 27 N -0.75 -0.23 0.01 3.18 -0.71 -0.50 -4.99 117.98 113.98 2awk s PHE 27 Ca 0.18 -0.08 0.02 0.00 -1.04 0.00 0.00 56.93 56.01 2awk s PHE 27 Cb -0.14 0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 42.06 2awk s PHE 27 CO 0.07 -0.85 -0.07 -1.12 -1.34 0.00 0.00 175.22 171.91 2awk s SER 28 N -2.83 0.78 -0.03 1.98 0.01 -1.26 -0.03 113.70 112.31 2awk s SER 28 Ca 0.06 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.08 2awk s SER 28 Cb -0.00 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.19 2awk s SER 28 CO -0.07 -0.02 -0.13 -0.69 0.41 0.00 0.00 173.24 172.73 2awk s VAL 29 N -0.58 1.12 -0.08 3.43 1.01 -0.30 -1.54 120.40 123.47 2awk s VAL 29 Ca -0.02 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2awk s VAL 29 Cb -0.05 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 2awk s VAL 29 CO 0.00 0.33 -0.24 -0.44 0.00 0.00 0.00 175.10 174.76 2awk s SER 30 N 0.08 3.00 0.09 3.32 0.01 -0.37 -0.96 113.70 118.87 2awk s SER 30 Ca -0.03 -0.53 0.08 0.00 1.31 0.00 0.00 55.95 56.78 2awk s SER 30 Cb -0.10 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.93 2awk s SER 30 CO 0.01 0.18 -0.20 -0.83 0.41 0.00 0.00 173.24 172.82 2awk s GLY 31 N 0.18 1.17 0.02 3.44 0.00 0.69 -0.55 107.32 112.27 2awk s GLY 31 Ca -0.13 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.41 2awk s GLY 31 CO 0.07 -1.19 -0.05 -0.54 0.00 0.00 0.00 173.10 171.39 2awk s GLU 32 N -1.81 0.36 0.00 2.90 2.02 -0.66 -1.11 118.70 120.40 2awk s GLU 32 Ca 0.05 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.54 2awk s GLU 32 Cb -0.10 -0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.00 2awk s GLU 32 CO 0.04 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.75 2awk n GLY 33 N 1.99 -0.72 3.28 -1.39 0.00 -0.82 -1.23 105.19 106.30 2awk n GLY 33 Ca -0.20 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 2awk n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2awk s GLU 34 N -0.78 0.91 0.05 1.61 -1.05 -0.47 -0.75 118.70 118.21 2awk s GLU 34 Ca 0.00 -0.61 0.05 0.00 -0.15 0.00 0.00 54.97 54.26 2awk s GLU 34 Cb 0.00 0.39 -0.02 0.00 -0.44 0.00 0.00 34.13 34.06 2awk s GLU 34 CO 0.00 -0.32 -0.16 0.20 0.95 0.00 0.00 175.26 175.94 2awk s GLY 35 N -2.40 0.88 -0.37 -3.83 0.00 -0.32 -1.72 107.32 99.56 2awk s GLY 35 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2awk s GLY 35 CO -0.07 -0.88 0.21 -0.35 0.00 0.00 0.00 173.10 172.01 2awk s ASP 36 N -1.26 3.12 0.55 1.64 3.68 0.10 -0.90 116.67 123.60 2awk s ASP 36 Ca 0.02 -2.25 0.25 0.00 2.13 0.00 0.00 52.55 52.71 2awk s ASP 36 Cb -0.08 -0.53 1.56 0.00 -1.45 0.00 0.00 42.92 42.42 2awk s ASP 36 CO 0.02 -0.30 2.17 0.00 0.13 0.00 0.00 175.17 177.18 2awk h ALA 37 N 7.00 1.55 -0.98 3.66 0.00 -1.73 -1.11 119.26 127.65 2awk h ALA 37 Ca 0.04 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.15 2awk h ALA 37 Cb 0.96 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2awk h ALA 37 CO 0.31 0.06 0.65 1.15 0.00 0.00 0.00 179.25 181.43 2awk h THR 38 N 0.00 0.58 -0.21 0.00 2.02 -1.87 -1.40 112.91 112.03 2awk h THR 38 Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2awk h THR 38 Cb 0.12 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2awk h THR 38 CO 0.01 0.06 0.00 -1.22 0.37 0.00 0.00 175.52 174.74 2awk n TYR 39 N -4.51 0.29 -2.97 3.16 4.01 -0.48 -4.95 117.16 111.71 2awk n TYR 39 Ca 0.22 -0.51 -0.21 0.00 -0.16 0.00 0.00 57.90 57.24 2awk n TYR 39 Cb 0.84 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.84 2awk n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2awk n GLY 40 N 0.10 -0.51 3.36 2.72 0.00 -0.53 -4.76 105.19 105.57 2awk n GLY 40 Ca 0.07 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2awk n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2awk s LYS 41 N -5.63 3.33 -0.04 1.61 2.20 -0.85 -0.92 119.74 119.44 2awk s LYS 41 Ca 0.26 -0.71 0.06 0.00 -0.36 0.00 0.00 55.97 55.22 2awk s LYS 41 Cb -0.12 -2.59 -0.01 0.00 -1.51 0.00 0.00 37.83 33.60 2awk s LYS 41 CO 0.32 0.22 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.80 2awk s LEU 42 N 0.32 2.02 -0.12 5.43 1.43 0.02 -0.72 118.68 127.05 2awk s LEU 42 Ca -0.11 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 2awk s LEU 42 Cb -0.16 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 44.91 2awk s LEU 42 CO 0.06 0.24 -0.00 0.42 0.23 0.00 0.00 176.35 177.29 2awk s THR 43 N -0.27 0.58 0.02 5.49 -4.23 -0.70 -1.34 115.64 115.19 2awk s THR 43 Ca 0.02 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 2awk s THR 43 Cb -0.11 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.88 2awk s THR 43 CO 0.01 0.12 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.42 2awk s LEU 44 N 1.87 2.26 -0.11 4.79 1.43 -0.47 -1.37 118.68 127.08 2awk s LEU 44 Ca 0.03 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 2awk s LEU 44 Cb -0.14 0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.16 2awk s LEU 44 CO -0.07 -0.31 -0.20 -0.75 0.23 0.00 0.00 176.35 175.26 2awk s LYS 45 N -1.61 2.64 -0.07 1.70 2.20 -0.36 -0.78 119.74 123.46 2awk s LYS 45 Ca -0.14 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 2awk s LYS 45 Cb -0.09 -2.10 -0.03 0.00 -1.51 0.00 0.00 37.83 34.10 2awk s LYS 45 CO -0.01 0.05 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.89 2awk s PHE 46 N 0.67 2.91 -0.06 4.03 0.40 0.41 -1.65 117.98 124.69 2awk s PHE 46 Ca -0.12 -0.00 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 2awk s PHE 46 Cb -0.16 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.67 2awk s PHE 46 CO 0.03 0.31 -0.16 0.42 0.70 0.00 0.00 175.22 176.53 2awk s ILE 47 N -0.79 1.36 -0.41 0.64 1.01 0.29 -0.94 121.20 122.36 2awk s ILE 47 Ca 0.12 -0.64 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 2awk s ILE 47 Cb -0.11 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.18 2awk s ILE 47 CO 0.01 0.40 1.25 0.00 0.00 0.00 0.00 174.94 176.60 2awk n THR 49 N 6.68 0.00 0.88 0.00 -2.24 -0.59 -3.66 114.28 115.36 2awk n THR 49 Ca 0.14 -0.07 0.10 0.00 -2.27 0.00 0.00 64.05 61.95 2awk n THR 49 Cb 0.48 0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 2awk n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2awk n THR 50 N -0.94 0.00 0.00 4.28 -2.24 -1.25 -5.01 114.28 109.12 2awk n THR 50 Ca 0.13 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2awk n THR 50 Cb 0.31 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 2awk n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2awk n GLY 51 N 1.29 0.38 3.76 3.38 0.00 -1.24 -5.04 105.19 107.72 2awk n GLY 51 Ca 0.09 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 2awk n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2awk s LYS 52 N -0.89 4.80 0.07 1.61 -0.14 -1.26 -4.51 119.74 119.42 2awk s LYS 52 Ca 0.00 1.44 -0.31 0.00 -1.36 0.00 0.00 55.97 55.75 2awk s LYS 52 Cb 0.00 -3.21 -0.06 0.00 -1.68 0.00 0.00 37.83 32.87 2awk s LYS 52 CO 0.00 0.49 1.27 -1.17 -0.76 0.00 0.00 175.35 175.18 2awk s LEU 53 N -1.30 4.37 0.00 3.17 2.96 -1.26 -4.92 118.68 121.70 2awk s LEU 53 Ca 0.42 2.12 0.30 0.00 -0.22 0.00 0.00 54.13 56.75 2awk s LEU 53 Cb -0.25 -3.58 1.52 0.00 0.50 0.00 0.00 46.19 44.38 2awk s LEU 53 CO 0.30 -0.55 2.01 -0.81 -1.32 0.00 0.00 176.35 175.99 2awk n PRO 54 N 4.04 1.20 -4.34 0.98 -0.04 -1.26 -4.80 135.00 130.77 2awk n PRO 54 Ca 0.10 -0.37 -0.18 0.00 -0.04 0.00 0.00 63.50 63.01 2awk n PRO 54 Cb 0.45 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 2awk n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2awk s VAL 55 N -2.06 1.26 0.29 0.52 -7.23 -1.26 -4.70 120.40 107.23 2awk s VAL 55 Ca 0.42 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.22 2awk s VAL 55 Cb 0.21 -2.24 -0.10 0.00 0.56 0.00 0.00 36.38 34.81 2awk s VAL 55 CO 0.37 -0.43 1.29 -2.84 -0.31 0.00 0.00 175.10 173.18 2awk s PRO 56 N -3.79 4.39 0.25 4.82 0.02 -1.26 -4.93 135.00 134.51 2awk s PRO 56 Ca 0.26 2.14 -0.04 0.00 0.02 0.00 0.00 61.00 63.38 2awk s PRO 56 Cb 0.04 -3.11 0.50 0.00 0.02 0.00 0.00 34.50 31.95 2awk s PRO 56 CO 0.08 -0.17 1.68 -1.49 -0.33 0.00 0.00 177.00 176.77 2awk h TRP 57 N 3.97 0.31 -0.12 6.54 4.06 -1.96 -1.19 115.95 127.56 2awk h TRP 57 Ca -0.48 0.04 0.04 0.00 2.06 0.00 0.00 58.89 60.55 2awk h TRP 57 Cb 1.22 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2awk h TRP 57 CO 0.58 -0.09 0.12 -1.35 -3.56 0.00 0.00 178.44 174.14 2awk h PRO 58 N 0.28 0.00 0.00 0.49 0.11 -1.89 -0.92 132.00 130.07 2awk h PRO 58 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2awk h PRO 58 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2awk h PRO 58 CO -0.53 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.51 2awk n THR 59 N -3.97 0.88 0.91 -1.15 -2.24 -0.45 -2.66 114.28 105.60 2awk n THR 59 Ca 0.00 0.21 0.10 0.00 -2.27 0.00 0.00 64.05 62.09 2awk n THR 59 Cb 0.23 -1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 2awk n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2awk n LEU 60 N -1.84 1.65 -0.13 3.22 4.77 -0.35 -4.64 117.00 119.68 2awk n LEU 60 Ca 0.03 -0.69 -0.06 0.00 -0.03 0.00 0.00 56.01 55.26 2awk n LEU 60 Cb 0.21 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2awk n LEU 60 CO 0.17 0.32 0.98 0.58 -1.33 0.00 0.00 177.39 178.12 2awk h VAL 61 N 1.66 0.94 0.00 4.08 2.07 -1.55 -0.58 116.25 122.87 2awk h VAL 61 Ca 0.00 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 2awk h VAL 61 Cb 0.63 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2awk h VAL 61 CO 0.00 0.07 -0.34 0.71 0.02 0.00 0.00 177.57 178.03 2awk h THR 62 N 0.39 1.12 -0.02 2.57 1.35 -1.82 -2.95 112.91 113.55 2awk h THR 62 Ca 0.19 -1.23 -0.12 0.00 -0.55 0.00 0.00 66.41 64.70 2awk h THR 62 Cb 0.12 1.69 0.01 0.00 -1.73 0.00 0.00 68.15 68.24 2awk h THR 62 CO -0.15 0.34 -0.47 0.74 -0.25 0.00 0.00 175.52 175.72 2awk h THR 63 N 0.00 1.45 0.00 6.82 2.02 -1.74 -3.46 112.91 118.00 2awk h THR 63 Ca -0.00 -1.99 -0.14 0.00 0.77 0.00 0.00 66.41 65.05 2awk h THR 63 Cb 0.66 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.64 2awk h THR 63 CO 0.04 0.57 0.68 0.18 0.37 0.00 0.00 175.52 177.36 2awk n LEU 64 N -4.32 2.67 0.00 2.58 4.77 -0.27 -5.02 117.00 117.41 2awk n LEU 64 Ca -0.10 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.01 2awk n LEU 64 Cb 0.60 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2awk n LEU 64 CO 0.44 0.38 0.00 1.33 -1.33 0.00 0.00 177.39 178.21 2awk n VAL 68 N 3.21 0.00 0.91 4.08 0.24 -1.26 -5.01 118.33 120.51 2awk n VAL 68 Ca 0.23 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.62 2awk n VAL 68 Cb 0.32 0.00 0.47 0.00 -1.47 0.00 0.00 33.84 33.16 2awk n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2awk n GLN 69 N 0.00 0.32 0.25 7.34 6.02 -1.26 -1.28 117.38 128.77 2awk n GLN 69 Ca 0.00 0.09 0.17 0.00 -0.01 0.00 0.00 57.00 57.25 2awk n GLN 69 Cb 0.00 -1.50 0.89 0.00 1.02 0.00 0.00 30.24 30.65 2awk n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2awk n PHE 71 N -2.65 0.34 -1.79 0.00 3.72 -0.40 -4.69 117.46 111.98 2awk n PHE 71 Ca -0.02 -0.17 -0.39 0.00 -0.05 0.00 0.00 57.45 56.82 2awk n PHE 71 Cb 0.07 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.64 2awk n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2awk s SER 72 N -1.43 5.48 -0.42 4.37 0.01 -0.77 -4.10 113.70 116.84 2awk s SER 72 Ca 0.32 2.82 -0.26 0.00 1.31 0.00 0.00 55.95 60.15 2awk s SER 72 Cb 0.18 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.79 2awk s SER 72 CO 0.25 -1.43 0.93 -0.60 0.41 0.00 0.00 173.24 172.80 2awk s ARG 73 N -2.75 3.68 -0.33 12.44 3.52 0.11 -4.78 118.95 130.85 2awk s ARG 73 Ca 0.68 0.36 -0.17 0.00 -0.13 0.00 0.00 55.73 56.47 2awk s ARG 73 Cb -0.42 -3.87 -0.01 0.00 -1.56 0.00 0.00 34.95 29.09 2awk s ARG 73 CO 0.51 -1.10 0.44 0.71 -0.81 0.00 0.00 175.30 175.05 2awk s TYR 74 N 3.64 3.21 0.55 5.12 1.51 -1.26 -0.78 117.35 129.33 2awk s TYR 74 Ca 0.38 0.18 -0.20 0.00 -1.01 0.00 0.00 57.07 56.43 2awk s TYR 74 Cb -0.11 -2.77 -0.07 0.00 -0.11 0.00 0.00 41.96 38.90 2awk s TYR 74 CO 0.23 -0.44 0.83 -2.30 -1.11 0.00 0.00 175.55 172.77 2awk n PRO 75 N 5.55 0.86 -0.30 -1.71 -0.02 -1.26 -4.72 135.00 133.40 2awk n PRO 75 Ca -0.07 0.33 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 2awk n PRO 75 Cb 0.49 -1.99 0.30 0.00 -0.02 0.00 0.00 33.50 32.28 2awk n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2awk h ASP 76 N 0.63 0.28 0.45 2.55 3.58 -2.00 0.28 116.42 122.19 2awk h ASP 76 Ca -0.47 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2awk h ASP 76 Cb 1.37 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.57 2awk h ASP 76 CO 0.51 -0.02 0.00 0.00 -2.88 0.00 0.00 179.24 176.85 2awk n HIS 77 N -5.07 0.00 -0.09 0.28 1.44 -1.26 -2.17 115.22 108.35 2awk n HIS 77 Ca 0.22 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.95 2awk n HIS 77 Cb 0.65 -0.44 0.07 0.00 0.12 0.00 0.00 29.99 30.39 2awk n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2awk n MET 78 N -1.44 2.94 0.30 -1.40 2.81 0.96 -4.77 117.12 116.52 2awk n MET 78 Ca 0.04 -1.77 0.19 0.00 -1.81 0.00 0.00 57.70 54.36 2awk n MET 78 Cb 0.16 -1.13 0.94 0.00 -0.71 0.00 0.00 33.22 32.48 2awk n MET 78 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2awk h LYS 79 N 0.96 0.00 0.00 0.03 2.10 -1.02 -0.27 116.57 118.36 2awk h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2awk h LYS 79 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2awk h LYS 79 CO 0.00 0.02 0.00 0.00 -2.00 0.00 0.00 179.45 177.47 2awk n GLN 80 N -3.20 0.43 -0.22 0.07 0.00 -1.26 -2.78 117.38 110.42 2awk n GLN 80 Ca -0.02 0.06 0.07 0.00 0.00 0.00 0.00 57.00 57.12 2awk n GLN 80 Cb 0.18 -1.50 0.19 0.00 0.00 0.00 0.00 30.24 29.12 2awk n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2awk n HIS 81 N -1.18 0.58 -3.09 2.61 8.25 -0.11 -4.63 115.22 117.65 2awk n HIS 81 Ca 0.12 -0.46 -0.45 0.00 -0.26 0.00 0.00 57.72 56.67 2awk n HIS 81 Cb 0.13 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 2awk n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2awk s ASP 82 N -1.02 6.80 0.13 0.41 -1.08 -1.12 -4.50 116.67 116.29 2awk s ASP 82 Ca 0.30 -2.52 -0.19 0.00 -0.52 0.00 0.00 52.55 49.61 2awk s ASP 82 Cb 0.16 -2.33 -0.02 0.00 -1.46 0.00 0.00 42.92 39.27 2awk s ASP 82 CO 0.21 -0.80 1.72 0.15 0.52 0.00 0.00 175.17 176.98 2awk h PHE 83 N 8.07 0.01 -0.25 -5.34 3.57 -1.90 -3.02 116.94 118.07 2awk h PHE 83 Ca 0.17 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 2awk h PHE 83 Cb 0.99 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 2awk h PHE 83 CO 1.08 -0.02 0.10 0.74 -2.23 0.00 0.00 178.31 177.98 2awk h PHE 84 N 0.08 0.19 0.00 0.41 0.04 -1.89 -1.51 116.94 114.26 2awk h PHE 84 Ca 0.10 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.78 2awk h PHE 84 Cb 0.12 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 2awk h PHE 84 CO -0.17 0.10 -0.51 0.87 -0.60 0.00 0.00 178.31 177.99 2awk h LYS 85 N 0.23 0.00 0.00 1.51 1.57 -1.84 -3.11 116.57 114.93 2awk h LYS 85 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2awk h LYS 85 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2awk h LYS 85 CO -0.10 0.51 -0.09 0.66 -0.57 0.00 0.00 179.45 179.87 2awk h SER 86 N 0.00 0.00 0.69 0.86 4.64 -1.15 -1.62 113.55 116.97 2awk h SER 86 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2awk h SER 86 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2awk h SER 86 CO 0.07 0.09 -0.10 0.00 -0.87 0.00 0.00 176.83 176.02 2awk n ALA 87 N -2.19 2.64 -2.21 5.18 0.00 -0.92 -4.55 120.51 118.45 2awk n ALA 87 Ca -0.01 -0.18 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 2awk n ALA 87 Cb 0.26 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 2awk n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2awk s MET 88 N -2.79 3.95 0.04 0.00 1.00 -0.61 -0.42 119.30 120.48 2awk s MET 88 Ca 0.20 0.57 0.26 0.00 0.00 0.00 0.00 55.69 56.72 2awk s MET 88 Cb 0.19 -2.49 0.70 0.00 0.00 0.00 0.00 34.83 33.23 2awk s MET 88 CO 0.53 0.20 1.57 -0.35 0.00 0.00 0.00 175.02 176.96 2awk n PRO 89 N -0.30 0.08 0.00 2.03 -0.04 -1.26 -3.85 135.00 131.66 2awk n PRO 89 Ca 0.03 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.54 2awk n PRO 89 Cb 0.53 -1.56 0.35 0.00 -0.04 0.00 0.00 33.50 32.77 2awk n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2awk h GLU 90 N 0.00 0.52 0.00 0.54 3.07 -1.90 -2.65 114.58 114.15 2awk h GLU 90 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2awk h GLU 90 Cb 0.57 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2awk h GLU 90 CO 0.00 0.47 0.00 0.41 -1.40 0.00 0.00 179.01 178.49 2awk n GLY 91 N -1.10 -2.16 3.04 -3.84 0.00 0.44 -4.63 105.19 96.93 2awk n GLY 91 Ca 0.02 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 2awk n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2awk s TYR 92 N -0.18 0.36 -0.12 1.61 -0.85 -0.32 -0.72 117.35 117.14 2awk s TYR 92 Ca 0.00 -0.75 -0.16 0.00 -0.52 0.00 0.00 57.07 55.64 2awk s TYR 92 Cb 0.00 -0.27 -0.05 0.00 0.38 0.00 0.00 41.96 42.03 2awk s TYR 92 CO 0.00 -0.29 0.38 0.08 -1.52 0.00 0.00 175.55 174.20 2awk s VAL 93 N -2.60 5.22 -0.18 -3.49 1.01 0.23 -1.02 120.40 119.56 2awk s VAL 93 Ca -0.05 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2awk s VAL 93 Cb -0.02 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2awk s VAL 93 CO -0.05 0.40 -0.18 -1.58 0.00 0.00 0.00 175.10 173.69 2awk s GLN 94 N 0.25 3.05 -0.06 2.72 0.74 0.02 -1.41 119.66 124.97 2awk s GLN 94 Ca 0.21 -0.80 0.05 0.00 0.05 0.00 0.00 55.36 54.87 2awk s GLN 94 Cb -0.14 -2.63 -0.02 0.00 1.10 0.00 0.00 33.01 31.32 2awk s GLN 94 CO 0.08 -0.20 -0.21 -1.21 -0.55 0.00 0.00 175.29 173.20 2awk s GLU 95 N 1.29 2.63 0.05 1.67 2.02 0.02 -0.51 118.70 125.86 2awk s GLU 95 Ca 0.05 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.24 2awk s GLU 95 Cb -0.13 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 2awk s GLU 95 CO -0.11 0.43 -0.10 -1.64 0.02 0.00 0.00 175.26 173.86 2awk s MET 96 N -0.26 0.64 -0.20 1.61 -1.94 -0.92 -0.84 119.30 117.39 2awk s MET 96 Ca 0.00 -0.78 -0.02 0.00 -1.71 0.00 0.00 55.69 53.19 2awk s MET 96 Cb -0.13 -0.51 0.00 0.00 2.01 0.00 0.00 34.83 36.21 2awk s MET 96 CO 0.03 0.11 -0.10 0.99 -0.01 0.00 0.00 175.02 176.03 2awk s THR 97 N -1.22 2.89 -0.34 2.05 2.01 -0.30 -0.98 115.64 119.74 2awk s THR 97 Ca -0.06 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 2awk s THR 97 Cb -0.09 -2.28 0.08 0.00 0.01 0.00 0.00 72.50 70.21 2awk s THR 97 CO 0.01 0.47 0.08 -0.63 -0.69 0.00 0.00 174.62 173.86 2awk s ILE 98 N 1.33 2.97 -0.44 1.82 1.01 0.31 -1.70 121.20 126.51 2awk s ILE 98 Ca 0.04 -1.76 -0.15 0.00 0.00 0.00 0.00 60.65 58.78 2awk s ILE 98 Cb -0.14 -2.89 0.05 0.00 0.01 0.00 0.00 42.46 39.49 2awk s ILE 98 CO -0.06 -0.38 0.35 -0.44 0.00 0.00 0.00 174.94 174.41 2awk s SER 99 N 1.40 6.10 -0.29 3.58 0.01 0.09 -0.74 113.70 123.86 2awk s SER 99 Ca 0.02 -1.16 -0.28 0.00 1.31 0.00 0.00 55.95 55.83 2awk s SER 99 Cb -0.21 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.87 2awk s SER 99 CO -0.03 -0.56 1.00 -0.36 0.41 0.00 0.00 173.24 173.70 2awk s PHE 100 N 1.64 3.22 0.21 2.43 0.40 -0.48 -1.03 117.98 124.37 2awk s PHE 100 Ca 0.04 1.21 -0.32 0.00 -0.60 0.00 0.00 56.93 57.25 2awk s PHE 100 Cb -0.22 -3.45 -0.13 0.00 0.51 0.00 0.00 43.02 39.73 2awk s PHE 100 CO 0.08 -0.63 1.50 1.17 0.70 0.00 0.00 175.22 178.04 2awk n LYS 101 N 6.54 2.13 -1.71 0.44 4.81 -0.43 -0.97 118.16 128.98 2awk n LYS 101 Ca 0.10 0.76 -0.17 0.00 -0.87 0.00 0.00 58.31 58.13 2awk n LYS 101 Cb 0.47 -2.48 -0.06 0.00 0.02 0.00 0.00 35.03 32.98 2awk n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2awk n ASP 102 N 2.75 -5.06 0.00 3.14 8.00 -1.26 -4.82 116.55 119.30 2awk n ASP 102 Ca 0.14 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2awk n ASP 102 Cb 0.30 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 2awk n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2awk n ASP 103 N -0.90 0.00 -2.07 -2.24 -0.08 -0.14 -4.93 116.55 106.19 2awk n ASP 103 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2awk n ASP 103 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2awk n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2awk n GLY 104 N 0.00 -0.64 3.01 0.27 0.00 -1.16 -4.61 105.19 102.06 2awk n GLY 104 Ca 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 2awk n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2awk s ASN 105 N -1.00 0.54 -0.07 1.61 2.20 -0.79 -1.38 114.94 116.06 2awk s ASN 105 Ca 0.00 -0.46 -0.07 0.00 -0.94 0.00 0.00 52.86 51.39 2awk s ASN 105 Cb 0.00 0.05 -0.04 0.00 -2.00 0.00 0.00 41.25 39.26 2awk s ASN 105 CO 0.00 -0.21 0.20 -0.31 -2.94 0.00 0.00 177.10 173.84 2awk s TYR 106 N -1.22 3.60 -0.11 1.54 2.02 0.09 -1.59 117.35 121.67 2awk s TYR 106 Ca -0.11 0.55 0.03 0.00 -0.37 0.00 0.00 57.07 57.18 2awk s TYR 106 Cb -0.09 -1.96 -0.00 0.00 -0.40 0.00 0.00 41.96 39.51 2awk s TYR 106 CO -0.00 0.69 -0.23 0.15 -1.57 0.00 0.00 175.55 174.59 2awk s LYS 107 N -1.32 3.09 0.11 -0.62 1.02 0.60 -0.53 119.74 122.08 2awk s LYS 107 Ca 0.20 -0.86 0.08 0.00 0.02 0.00 0.00 55.97 55.42 2awk s LYS 107 Cb -0.13 -2.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2awk s LYS 107 CO 0.10 0.17 -0.21 0.95 -0.92 0.00 0.00 175.35 175.43 2awk s THR 108 N 0.38 1.77 -0.04 2.17 -4.23 -0.16 -0.70 115.64 114.83 2awk s THR 108 Ca -0.17 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 2awk s THR 108 Cb -0.18 -1.61 0.03 0.00 1.34 0.00 0.00 72.50 72.08 2awk s THR 108 CO 0.08 -0.05 0.02 -0.60 -0.54 0.00 0.00 174.62 173.53 2awk s ARG 109 N -1.95 0.21 0.07 3.99 3.52 -0.53 -2.16 118.95 122.10 2awk s ARG 109 Ca 0.07 0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.94 2awk s ARG 109 Cb -0.10 -0.59 -0.03 0.00 -1.56 0.00 0.00 34.95 32.67 2awk s ARG 109 CO 0.04 -0.25 -0.16 0.00 -0.81 0.00 0.00 175.30 174.13 2awk s ALA 110 N 1.66 1.36 -0.16 6.12 0.00 0.33 -1.06 121.76 130.01 2awk s ALA 110 Ca -0.01 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 2awk s ALA 110 Cb -0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2awk s ALA 110 CO -0.03 0.24 -0.14 -1.21 0.00 0.00 0.00 175.76 174.61 2awk s GLU 111 N -1.64 3.23 -0.22 0.00 2.02 0.03 -0.80 118.70 121.31 2awk s GLU 111 Ca 0.01 -0.73 -0.02 0.00 0.02 0.00 0.00 54.97 54.25 2awk s GLU 111 Cb -0.10 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.48 2awk s GLU 111 CO 0.03 -0.01 -0.08 0.08 0.02 0.00 0.00 175.26 175.30 2awk s VAL 112 N 0.89 2.93 0.20 2.63 1.01 -0.19 -1.49 120.40 126.38 2awk s VAL 112 Ca -0.04 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 2awk s VAL 112 Cb -0.15 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 33.90 2awk s VAL 112 CO -0.01 0.36 0.71 -1.59 0.00 0.00 0.00 175.10 174.58 2awk s LYS 113 N 1.39 1.48 0.22 2.72 -2.85 -0.53 -1.17 119.74 120.99 2awk s LYS 113 Ca 0.04 -0.72 -0.29 0.00 -1.00 0.00 0.00 55.97 54.00 2awk s LYS 113 Cb -0.15 0.57 -0.09 0.00 -2.06 0.00 0.00 37.83 36.10 2awk s LYS 113 CO -0.06 -0.67 0.90 -0.06 0.10 0.00 0.00 175.35 175.57 2awk s PHE 114 N -3.74 3.97 -0.35 1.78 0.08 -1.00 -0.93 117.98 117.79 2awk s PHE 114 Ca 0.07 1.85 0.04 0.00 0.12 0.00 0.00 56.93 59.01 2awk s PHE 114 Cb -0.03 -2.93 0.10 0.00 -0.57 0.00 0.00 43.02 39.59 2awk s PHE 114 CO -0.02 0.47 0.07 -1.21 -0.10 0.00 0.00 175.22 174.43 2awk s GLU 115 N -1.17 1.53 7.78 0.44 0.41 0.24 -4.94 118.70 122.99 2awk s GLU 115 Ca 0.40 -1.90 0.00 0.00 -0.41 0.00 0.00 54.97 53.06 2awk s GLU 115 Cb -0.25 -3.24 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 2awk s GLU 115 CO 0.31 -0.95 0.00 0.41 -0.49 0.00 0.00 175.26 174.53 2awk n GLY 116 N 4.23 3.26 0.85 -1.39 0.00 -1.26 -2.13 105.19 108.75 2awk n GLY 116 Ca 0.04 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2awk n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2awk n ASP 117 N 5.25 2.47 -4.59 1.61 8.00 -1.26 -4.89 116.55 123.13 2awk n ASP 117 Ca 0.00 -2.01 -0.34 0.00 0.71 0.00 0.00 54.79 53.15 2awk n ASP 117 Cb 0.00 -0.31 -0.11 0.00 -0.02 0.00 0.00 41.12 40.68 2awk n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2awk s THR 118 N -1.40 4.21 -0.20 -3.53 2.01 -0.90 -4.40 115.64 111.42 2awk s THR 118 Ca 0.31 -0.26 -0.23 0.00 0.31 0.00 0.00 61.69 61.82 2awk s THR 118 Cb 0.16 -2.83 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 2awk s THR 118 CO 0.21 0.53 0.74 -0.22 -0.69 0.00 0.00 174.62 175.19 2awk s LEU 119 N -0.10 4.13 -0.11 4.42 1.98 -0.27 -0.59 118.68 128.15 2awk s LEU 119 Ca 0.04 0.99 0.02 0.00 -2.89 0.00 0.00 54.13 52.28 2awk s LEU 119 Cb -0.13 -3.07 -0.01 0.00 0.66 0.00 0.00 46.19 43.64 2awk s LEU 119 CO 0.02 -0.38 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.25 2awk s VAL 120 N 2.25 2.77 -0.30 1.68 1.01 -0.11 -1.37 120.40 126.33 2awk s VAL 120 Ca 0.33 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 2awk s VAL 120 Cb -0.16 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.15 2awk s VAL 120 CO 0.10 0.54 -0.01 0.21 0.00 0.00 0.00 175.10 175.95 2awk s ASN 121 N 0.17 4.84 -0.19 3.32 2.47 -0.30 -1.46 114.94 123.78 2awk s ASN 121 Ca -0.09 -1.36 -0.04 0.00 0.42 0.00 0.00 52.86 51.79 2awk s ASN 121 Cb -0.15 -1.69 -0.02 0.00 -1.45 0.00 0.00 41.25 37.93 2awk s ASN 121 CO 0.06 -0.27 -0.02 -0.13 -3.72 0.00 0.00 177.10 173.02 2awk s ARG 122 N 1.21 3.58 -0.01 0.43 0.52 -0.56 -1.12 118.95 123.01 2awk s ARG 122 Ca -0.05 -0.54 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 2awk s ARG 122 Cb -0.20 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 2awk s ARG 122 CO -0.02 0.05 -0.11 0.42 0.02 0.00 0.00 175.30 175.66 2awk s ILE 123 N 0.87 0.89 -0.14 1.52 1.01 0.19 -0.79 121.20 124.76 2awk s ILE 123 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 2awk s ILE 123 Cb -0.14 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 2awk s ILE 123 CO 0.02 0.26 -0.09 -1.61 0.00 0.00 0.00 174.94 173.51 2awk s GLU 124 N -0.22 3.50 -0.07 2.79 2.02 -0.22 -1.32 118.70 125.18 2awk s GLU 124 Ca 0.04 -0.62 0.05 0.00 0.02 0.00 0.00 54.97 54.46 2awk s GLU 124 Cb -0.05 -2.74 -0.00 0.00 0.10 0.00 0.00 34.13 31.43 2awk s GLU 124 CO -0.00 0.23 -0.22 -1.17 0.02 0.00 0.00 175.26 174.12 2awk s LEU 125 N 0.34 2.01 -0.11 1.80 0.20 -0.20 -1.45 118.68 121.27 2awk s LEU 125 Ca -0.08 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.27 2awk s LEU 125 Cb -0.15 -1.26 0.02 0.00 -0.43 0.00 0.00 46.19 44.36 2awk s LEU 125 CO 0.05 0.18 -0.14 -0.75 -0.29 0.00 0.00 176.35 175.40 2awk s LYS 126 N 0.10 2.07 -0.07 1.98 2.47 0.12 -1.52 119.74 124.89 2awk s LYS 126 Ca -0.09 -0.50 0.04 0.00 -1.56 0.00 0.00 55.97 53.86 2awk s LYS 126 Cb -0.15 -1.84 -0.02 0.00 -1.46 0.00 0.00 37.83 34.37 2awk s LYS 126 CO 0.05 -0.12 -0.18 0.20 0.16 0.00 0.00 175.35 175.46 2awk s GLY 127 N 1.17 1.44 0.08 5.54 0.00 0.87 -0.29 107.32 116.12 2awk s GLY 127 Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.72 2awk s GLY 127 CO -0.04 -0.57 -0.06 -0.26 0.00 0.00 0.00 173.10 172.18 2awk s ILE 128 N -0.22 0.57 -1.46 0.90 -4.36 -0.62 -1.08 121.20 114.93 2awk s ILE 128 Ca -0.01 -1.81 -0.02 0.00 -0.26 0.00 0.00 60.65 58.55 2awk s ILE 128 Cb -0.13 -1.52 0.00 0.00 1.25 0.00 0.00 42.46 42.06 2awk s ILE 128 CO 0.03 -0.85 0.23 0.47 0.24 0.00 0.00 174.94 175.06 2awk n ASP 129 N 0.16 -5.38 -4.76 4.36 8.00 -1.26 -1.88 116.55 115.79 2awk n ASP 129 Ca -0.14 -0.12 -0.39 0.00 0.71 0.00 0.00 54.79 54.85 2awk n ASP 129 Cb 0.60 -4.35 -0.06 0.00 -0.02 0.00 0.00 41.12 37.30 2awk n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2awk s PHE 130 N -2.99 3.84 0.08 1.24 0.40 -1.26 -3.01 117.98 116.28 2awk s PHE 130 Ca 0.11 1.85 -0.30 0.00 -0.60 0.00 0.00 56.93 57.99 2awk s PHE 130 Cb -0.05 -2.99 -0.05 0.00 0.51 0.00 0.00 43.02 40.44 2awk s PHE 130 CO 0.14 0.26 1.01 0.15 0.70 0.00 0.00 175.22 177.48 2awk s LYS 131 N -1.52 4.61 0.35 0.44 1.02 -1.26 -4.92 119.74 118.46 2awk s LYS 131 Ca 0.45 1.51 0.04 0.00 0.02 0.00 0.00 55.97 57.99 2awk s LYS 131 Cb -0.24 -3.39 0.69 0.00 -0.52 0.00 0.00 37.83 34.37 2awk s LYS 131 CO 0.30 0.05 1.95 0.93 -0.92 0.00 0.00 175.35 177.67 2awk h GLU 132 N 6.08 0.80 -0.34 1.68 4.39 -1.95 -1.72 114.58 123.51 2awk h GLU 132 Ca -0.42 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.09 2awk h GLU 132 Cb 1.21 -0.18 -0.08 0.00 -0.10 0.00 0.00 28.75 29.60 2awk h GLU 132 CO 0.74 0.53 -0.03 -3.47 -1.16 0.00 0.00 179.01 175.62 2awk n ASP 133 N -4.48 2.90 -3.44 1.42 2.03 -1.26 -3.58 116.55 110.13 2awk n ASP 133 Ca 0.11 -3.55 -0.22 0.00 0.52 0.00 0.00 54.79 51.65 2awk n ASP 133 Cb 0.21 -0.61 0.16 0.00 -0.72 0.00 0.00 41.12 40.15 2awk n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2awk n GLY 134 N -0.97 -1.46 0.23 0.27 0.00 -0.65 -4.73 105.19 97.88 2awk n GLY 134 Ca 0.31 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.73 2awk n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2awk h ASN 135 N -1.37 0.00 0.00 1.61 2.35 -1.93 0.10 115.58 116.34 2awk h ASN 135 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2awk h ASN 135 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2awk h ASN 135 CO 0.23 0.23 -0.03 0.40 -1.65 0.00 0.00 177.43 176.61 2awk h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.93 -1.44 117.51 121.99 2awk h ILE 136 Ca -0.00 -0.27 -0.03 0.00 -0.12 0.00 0.00 64.86 64.45 2awk h ILE 136 Cb 0.64 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.43 2awk h ILE 136 CO 0.03 0.00 -0.13 -0.07 -0.68 0.00 0.00 178.15 177.30 2awk h LEU 137 N -0.27 0.00 -0.28 1.44 3.38 -1.74 -1.64 115.31 116.21 2awk h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2awk h LEU 137 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2awk h LEU 137 CO 0.00 0.13 -0.01 0.61 0.09 0.00 0.00 178.44 179.26 2awk n GLY 138 N -0.10 -0.73 3.63 0.83 0.00 0.02 -4.91 105.19 103.94 2awk n GLY 138 Ca -0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2awk n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2awk n HIS 139 N -0.68 -1.97 0.08 1.61 8.25 -0.62 -4.90 115.22 116.99 2awk n HIS 139 Ca 0.22 0.50 0.06 0.00 -0.26 0.00 0.00 57.72 58.24 2awk n HIS 139 Cb 0.19 -3.53 0.12 0.00 1.12 0.00 0.00 29.99 27.89 2awk n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2awk n LYS 140 N -4.07 1.97 -3.38 -0.41 5.02 -0.55 -4.98 118.16 111.76 2awk n LYS 140 Ca -0.09 -1.73 -0.38 0.00 -2.02 0.00 0.00 58.31 54.09 2awk n LYS 140 Cb 0.59 -1.26 -0.06 0.00 -0.02 0.00 0.00 35.03 34.29 2awk n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2awk s LEU 141 N -0.99 4.39 0.64 -0.35 1.43 -1.25 -0.83 118.68 121.73 2awk s LEU 141 Ca 0.20 0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 54.08 2awk s LEU 141 Cb 0.11 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.64 2awk s LEU 141 CO 0.16 0.17 1.17 -1.61 0.23 0.00 0.00 176.35 176.47 2awk s GLU 142 N -0.31 2.75 -1.27 1.70 2.02 -0.31 -4.86 118.70 118.41 2awk s GLU 142 Ca 0.25 1.66 -0.12 0.00 0.02 0.00 0.00 54.97 56.78 2awk s GLU 142 Cb -0.16 -1.92 0.15 0.00 0.10 0.00 0.00 34.13 32.30 2awk s GLU 142 CO 0.13 -1.34 1.72 0.98 0.02 0.00 0.00 175.26 176.76 2awk n TYR 143 N -2.09 3.96 -3.72 1.61 9.36 -1.26 -4.83 117.16 120.20 2awk n TYR 143 Ca 0.12 -3.04 -0.08 0.00 3.32 0.00 0.00 57.90 58.23 2awk n TYR 143 Cb 0.51 -2.16 0.03 0.00 -0.63 0.00 0.00 39.34 37.08 2awk n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2awk n ASN 144 N 5.17 -2.04 -3.65 2.98 0.23 -1.26 -4.85 115.26 111.85 2awk n ASN 144 Ca 0.40 -2.39 -0.05 0.00 -0.53 0.00 0.00 54.58 52.01 2awk n ASN 144 Cb 0.40 3.39 -0.06 0.00 -2.08 0.00 0.00 39.78 41.43 2awk n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2awk s TYR 145 N -2.83 -1.14 0.63 -2.53 5.04 -1.26 -4.87 117.35 110.39 2awk s TYR 145 Ca 0.15 2.15 -0.10 0.00 -2.44 0.00 0.00 57.07 56.83 2awk s TYR 145 Cb -0.04 0.67 -0.02 0.00 0.35 0.00 0.00 41.96 42.92 2awk s TYR 145 CO 0.10 -0.57 1.01 -0.80 -1.34 0.00 0.00 175.55 173.96 2awk s ASN 146 N 2.08 5.93 0.19 4.32 0.01 -1.26 -4.63 114.94 121.58 2awk s ASN 146 Ca -0.08 1.21 -0.29 0.00 -0.71 0.00 0.00 52.86 52.99 2awk s ASN 146 Cb -0.08 -2.21 -0.08 0.00 0.41 0.00 0.00 41.25 39.30 2awk s ASN 146 CO -0.19 -1.00 0.91 -0.44 -1.51 0.00 0.00 177.10 174.87 2awk s SER 147 N -4.24 7.56 0.04 -1.22 0.01 -1.26 -4.60 113.70 109.99 2awk s SER 147 Ca 0.55 1.84 -0.01 0.00 1.31 0.00 0.00 55.95 59.65 2awk s SER 147 Cb -0.11 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2awk s SER 147 CO 0.51 0.11 -0.03 -1.00 0.41 0.00 0.00 173.24 173.24 2awk s HIS 148 N -0.85 0.48 -0.21 2.43 3.76 -0.78 -4.98 115.29 115.13 2awk s HIS 148 Ca 0.41 -0.95 -0.08 0.00 -0.15 0.00 0.00 55.06 54.29 2awk s HIS 148 Cb -0.25 -0.35 -0.04 0.00 1.11 0.00 0.00 32.58 33.05 2awk s HIS 148 CO 0.30 -0.33 0.09 -0.80 -0.85 0.00 0.00 174.74 173.14 2awk s ASN 149 N -2.61 5.60 -0.42 1.40 0.02 -1.26 -0.75 114.94 116.92 2awk s ASN 149 Ca 0.02 0.01 -0.17 0.00 -1.02 0.00 0.00 52.86 51.70 2awk s ASN 149 Cb 0.04 -1.98 0.02 0.00 0.02 0.00 0.00 41.25 39.35 2awk s ASN 149 CO -0.08 0.09 0.43 -0.69 0.02 0.00 0.00 177.10 176.88 2awk s VAL 150 N 0.86 5.09 -0.24 1.60 1.01 0.27 -4.73 120.40 124.26 2awk s VAL 150 Ca 0.05 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 2awk s VAL 150 Cb -0.13 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2awk s VAL 150 CO 0.03 -0.42 0.69 -0.31 0.00 0.00 0.00 175.10 175.08 2awk s TYR 151 N 2.12 3.30 -0.10 5.22 2.02 -0.94 -1.20 117.35 127.78 2awk s TYR 151 Ca 0.12 0.92 -0.01 0.00 -0.37 0.00 0.00 57.07 57.73 2awk s TYR 151 Cb -0.17 -2.89 -0.03 0.00 -0.40 0.00 0.00 41.96 38.47 2awk s TYR 151 CO 0.13 -0.33 -0.04 0.42 -1.57 0.00 0.00 175.55 174.17 2awk s ILE 152 N 2.51 3.89 0.07 2.71 1.01 0.08 -1.48 121.20 130.00 2awk s ILE 152 Ca 0.29 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.58 2awk s ILE 152 Cb -0.15 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2awk s ILE 152 CO 0.08 0.57 -0.09 0.42 0.00 0.00 0.00 174.94 175.92 2awk s THR 153 N -0.45 0.79 0.41 2.92 -4.23 -0.29 -2.44 115.64 112.36 2awk s THR 153 Ca 0.07 -1.42 -0.23 0.00 -1.18 0.00 0.00 61.69 58.93 2awk s THR 153 Cb -0.12 -1.08 -0.09 0.00 1.34 0.00 0.00 72.50 72.55 2awk s THR 153 CO 0.02 -0.48 1.05 0.00 -0.54 0.00 0.00 174.62 174.67 2awk s ALA 154 N -2.02 3.06 -0.53 3.99 0.00 -1.24 -0.67 121.76 124.35 2awk s ALA 154 Ca -0.01 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.69 2awk s ALA 154 Cb -0.06 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.92 2awk s ALA 154 CO -0.00 -0.24 0.27 0.34 0.00 0.00 0.00 175.76 176.13 2awk s ASP 155 N -1.61 4.34 0.25 0.00 -1.08 0.17 -4.70 116.67 114.05 2awk s ASP 155 Ca 0.59 -3.07 -0.04 0.00 -0.52 0.00 0.00 52.55 49.51 2awk s ASP 155 Cb -0.21 -1.64 0.29 0.00 -1.46 0.00 0.00 42.92 39.89 2awk s ASP 155 CO 0.27 -0.22 1.80 0.11 0.52 0.00 0.00 175.17 177.65 2awk h LYS 156 N 6.43 1.00 0.00 4.34 1.57 -1.96 -1.42 116.57 126.53 2awk h LYS 156 Ca -0.07 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 2awk h LYS 156 Cb 0.88 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2awk h LYS 156 CO 0.69 0.85 -0.23 -0.56 -0.57 0.00 0.00 179.45 179.64 2awk h GLN 157 N 0.97 0.00 -0.39 3.15 3.07 -1.94 -0.56 115.11 119.41 2awk h GLN 157 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 2awk h GLN 157 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.82 2awk h GLN 157 CO -0.01 0.23 0.00 1.63 0.09 0.00 0.00 178.83 180.77 2awk n LYS 158 N -3.47 2.45 -3.46 0.06 4.76 -0.87 -4.96 118.16 112.66 2awk n LYS 158 Ca -0.00 -2.19 -0.25 0.00 -2.87 0.00 0.00 58.31 53.00 2awk n LYS 158 Cb 0.40 -1.51 0.05 0.00 -1.84 0.00 0.00 35.03 32.13 2awk n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2awk n ASN 159 N 1.39 -5.76 0.00 4.39 5.15 -0.22 -4.68 115.26 115.53 2awk n ASN 159 Ca 0.19 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.68 2awk n ASN 159 Cb 0.58 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 35.23 2awk n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2awk n GLY 160 N -1.72 4.24 3.15 8.20 0.00 -0.63 -4.32 105.19 114.11 2awk n GLY 160 Ca -0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2awk n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2awk s ILE 161 N -0.03 0.48 0.13 -0.61 -4.36 -0.70 -0.65 121.20 115.46 2awk s ILE 161 Ca 0.00 -1.90 0.09 0.00 -0.26 0.00 0.00 60.65 58.57 2awk s ILE 161 Cb 0.00 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 2awk s ILE 161 CO 0.00 -0.81 -0.21 -0.54 0.24 0.00 0.00 174.94 173.63 2awk s LYS 162 N -3.90 1.21 0.03 0.37 1.02 0.15 -1.15 119.74 117.48 2awk s LYS 162 Ca 0.14 -1.27 0.02 0.00 0.02 0.00 0.00 55.97 54.87 2awk s LYS 162 Cb 0.06 -1.43 -0.02 0.00 -0.52 0.00 0.00 37.83 35.93 2awk s LYS 162 CO -0.04 0.32 -0.07 0.00 -0.92 0.00 0.00 175.35 174.63 2awk s ALA 163 N -1.47 0.56 -0.02 5.17 0.00 0.18 -1.14 121.76 125.03 2awk s ALA 163 Ca 0.11 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2awk s ALA 163 Cb -0.08 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2awk s ALA 163 CO 0.05 0.02 -0.04 -0.80 0.00 0.00 0.00 175.76 174.99 2awk s ASN 164 N -1.23 0.60 0.04 0.00 0.01 -0.55 -0.78 114.94 113.03 2awk s ASN 164 Ca -0.07 -0.08 -0.28 0.00 -0.71 0.00 0.00 52.86 51.72 2awk s ASN 164 Cb -0.08 -0.17 0.09 0.00 0.41 0.00 0.00 41.25 41.50 2awk s ASN 164 CO 0.00 0.00 0.96 0.72 -1.51 0.00 0.00 177.10 177.28 2awk s PHE 165 N 0.33 -0.23 -0.17 2.20 -0.12 -0.91 -2.21 117.98 116.87 2awk s PHE 165 Ca -0.04 0.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.90 2awk s PHE 165 Cb -0.07 0.57 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 2awk s PHE 165 CO -0.00 -0.60 -0.16 0.15 -0.05 0.00 0.00 175.22 174.55 2awk s LYS 166 N -3.08 2.55 -0.04 1.99 1.02 -1.26 -0.26 119.74 120.65 2awk s LYS 166 Ca 0.08 -0.72 -0.19 0.00 0.02 0.00 0.00 55.97 55.16 2awk s LYS 166 Cb -0.01 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 2awk s LYS 166 CO -0.04 -0.26 0.54 0.42 -0.92 0.00 0.00 175.35 175.09 2awk s ILE 167 N 1.39 5.01 -0.57 2.17 -1.09 -0.31 -4.93 121.20 122.87 2awk s ILE 167 Ca 0.04 1.12 -0.15 0.00 -2.23 0.00 0.00 60.65 59.43 2awk s ILE 167 Cb -0.13 -3.88 0.14 0.00 -1.58 0.00 0.00 42.46 37.01 2awk s ILE 167 CO -0.11 0.40 0.51 -0.13 -1.23 0.00 0.00 174.94 174.38 2awk s ARG 168 N 0.00 3.01 -0.17 2.79 0.52 -1.26 -0.15 118.95 123.69 2awk s ARG 168 Ca 0.29 -1.80 -0.19 0.00 -0.52 0.00 0.00 55.73 53.50 2awk s ARG 168 Cb -0.17 -4.27 -0.03 0.00 0.52 0.00 0.00 34.95 30.99 2awk s ARG 168 CO 0.15 -1.31 0.55 -1.01 0.02 0.00 0.00 175.30 173.69 2awk s HIS 169 N 1.41 3.43 0.06 -0.53 3.76 -0.13 -4.49 115.29 118.79 2awk s HIS 169 Ca 0.05 0.87 -0.31 0.00 -0.15 0.00 0.00 55.06 55.53 2awk s HIS 169 Cb -0.27 -2.68 -0.06 0.00 1.11 0.00 0.00 32.58 30.68 2awk s HIS 169 CO 0.01 -0.03 1.29 -0.80 -0.85 0.00 0.00 174.74 174.36 2awk s ASN 170 N 0.99 6.96 0.19 1.40 0.01 -1.26 -0.47 114.94 122.76 2awk s ASN 170 Ca 0.27 2.11 -0.10 0.00 -0.71 0.00 0.00 52.86 54.42 2awk s ASN 170 Cb -0.16 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 38.86 2awk s ASN 170 CO 0.11 -0.58 0.52 -0.63 -1.51 0.00 0.00 177.10 175.01 2awk s ILE 171 N 1.39 4.95 -0.23 0.60 1.01 -0.32 -1.17 121.20 127.44 2awk s ILE 171 Ca 0.61 0.51 0.22 0.00 0.00 0.00 0.00 60.65 61.98 2awk s ILE 171 Cb -0.32 -3.65 0.22 0.00 0.01 0.00 0.00 42.46 38.73 2awk s ILE 171 CO 0.28 0.04 1.67 -1.84 0.00 0.00 0.00 174.94 175.09 2awk n GLU 172 N 0.20 0.15 -0.31 2.79 0.28 -0.01 -1.38 120.64 122.35 2awk n GLU 172 Ca -0.02 0.61 0.11 0.00 -0.16 0.00 0.00 57.16 57.71 2awk n GLU 172 Cb 0.52 -1.95 0.29 0.00 1.43 0.00 0.00 31.44 31.73 2awk n GLU 172 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2awk n ASP 173 N -2.25 3.60 0.00 -1.84 5.75 -1.26 -4.94 116.55 115.60 2awk n ASP 173 Ca -0.01 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 2awk n ASP 173 Cb 0.06 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 2awk n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2awk n GLY 174 N 1.57 0.42 2.88 6.12 0.00 -0.48 -5.07 105.19 110.63 2awk n GLY 174 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 2awk n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2awk n SER 175 N 0.00 0.57 -4.09 1.61 2.88 -1.25 -4.85 113.62 108.49 2awk n SER 175 Ca 0.00 -1.62 -0.25 0.00 -1.33 0.00 0.00 58.87 55.67 2awk n SER 175 Cb 0.00 -0.61 -0.16 0.00 -0.75 0.00 0.00 64.21 62.69 2awk n SER 175 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2awk s VAL 176 N -2.68 1.27 -0.43 2.46 1.01 -1.26 -1.17 120.40 119.60 2awk s VAL 176 Ca 0.53 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 2awk s VAL 176 Cb -0.02 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2awk s VAL 176 CO 0.36 0.37 0.33 -1.58 0.00 0.00 0.00 175.10 174.59 2awk s GLN 177 N 0.22 2.98 0.23 2.72 2.00 0.38 -4.91 119.66 123.28 2awk s GLN 177 Ca -0.07 -1.08 -0.30 0.00 -2.00 0.00 0.00 55.36 51.91 2awk s GLN 177 Cb -0.12 -4.02 -0.09 0.00 0.80 0.00 0.00 33.01 29.58 2awk s GLN 177 CO 0.02 -0.83 1.03 -0.51 -0.50 0.00 0.00 175.29 174.51 2awk s LEU 178 N 1.70 4.57 -0.32 3.68 1.43 -1.26 -0.95 118.68 127.53 2awk s LEU 178 Ca 0.05 2.09 0.01 0.00 -1.03 0.00 0.00 54.13 55.25 2awk s LEU 178 Cb -0.20 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.50 2awk s LEU 178 CO 0.09 -0.04 0.07 0.00 0.23 0.00 0.00 176.35 176.70 2awk s ALA 179 N -0.90 2.14 0.09 4.21 0.00 0.79 -1.31 121.76 126.78 2awk s ALA 179 Ca 0.44 -2.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 2awk s ALA 179 Cb -0.29 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 2awk s ALA 179 CO 0.36 -1.67 1.15 -0.51 0.00 0.00 0.00 175.76 175.08 2awk s ASP 180 N 1.30 7.17 -0.14 0.00 1.01 -0.20 -1.17 116.67 124.64 2awk s ASP 180 Ca 0.10 2.01 -0.00 0.00 0.71 0.00 0.00 52.55 55.37 2awk s ASP 180 Cb -0.18 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.15 2awk s ASP 180 CO -0.17 -0.37 -0.13 -1.00 0.21 0.00 0.00 175.17 173.70 2awk s HIS 181 N 0.62 2.81 -0.18 4.23 3.76 0.64 -0.73 115.29 126.45 2awk s HIS 181 Ca 0.55 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2awk s HIS 181 Cb -0.29 -1.86 0.02 0.00 1.11 0.00 0.00 32.58 31.56 2awk s HIS 181 CO 0.31 -0.28 -0.19 -0.47 -0.85 0.00 0.00 174.74 173.27 2awk s TYR 182 N 0.49 2.78 -0.01 1.40 5.04 -0.69 -2.14 117.35 124.22 2awk s TYR 182 Ca -0.09 -1.52 0.06 0.00 -2.44 0.00 0.00 57.07 53.08 2awk s TYR 182 Cb -0.16 -1.92 -0.02 0.00 0.35 0.00 0.00 41.96 40.22 2awk s TYR 182 CO 0.04 -0.75 -0.20 -1.14 -1.34 0.00 0.00 175.55 172.17 2awk s GLN 183 N 1.22 1.61 -0.03 4.97 0.74 0.04 -1.15 119.66 127.06 2awk s GLN 183 Ca 0.03 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 54.72 2awk s GLN 183 Cb -0.14 -1.57 0.01 0.00 1.10 0.00 0.00 33.01 32.41 2awk s GLN 183 CO -0.10 0.43 -0.06 -0.65 -0.55 0.00 0.00 175.29 174.35 2awk s GLN 184 N -0.54 0.84 -0.03 1.67 -0.21 -0.02 -0.65 119.66 120.72 2awk s GLN 184 Ca 0.08 -0.20 0.06 0.00 0.02 0.00 0.00 55.36 55.31 2awk s GLN 184 Cb -0.08 -0.81 -0.01 0.00 1.00 0.00 0.00 33.01 33.12 2awk s GLN 184 CO -0.01 0.03 -0.20 -0.80 -2.12 0.00 0.00 175.29 172.19 2awk s ASN 185 N 0.47 2.39 0.00 5.90 -0.87 -0.30 -0.80 114.94 121.74 2awk s ASN 185 Ca -0.07 -0.38 0.01 0.00 -1.57 0.00 0.00 52.86 50.85 2awk s ASN 185 Cb -0.10 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.25 40.65 2awk s ASN 185 CO 0.00 0.21 -0.02 0.42 -2.57 0.00 0.00 177.10 175.14 2awk s THR 186 N -0.24 0.16 0.49 1.60 -4.23 -0.50 -1.73 115.64 111.20 2awk s THR 186 Ca 0.02 -0.27 -0.21 0.00 -1.18 0.00 0.00 61.69 60.05 2awk s THR 186 Cb -0.10 -0.18 -0.07 0.00 1.34 0.00 0.00 72.50 73.49 2awk s THR 186 CO 0.01 -0.07 1.12 -2.16 -0.54 0.00 0.00 174.62 172.98 2awk s PRO 187 N -0.36 3.62 -0.01 3.99 0.04 -1.26 -0.60 135.00 140.41 2awk s PRO 187 Ca -0.03 1.63 -0.10 0.00 0.04 0.00 0.00 61.00 62.54 2awk s PRO 187 Cb -0.03 -2.20 -0.31 0.00 0.04 0.00 0.00 34.50 32.00 2awk s PRO 187 CO -0.00 -0.64 0.84 0.82 0.04 0.00 0.00 177.00 178.06 2awk h ILE 188 N 1.56 1.12 -4.25 0.56 2.04 -1.20 -3.45 117.51 113.89 2awk h ILE 188 Ca -0.50 -2.67 -0.46 0.00 1.00 0.00 0.00 64.86 62.24 2awk h ILE 188 Cb 1.25 2.86 0.12 0.00 -0.74 0.00 0.00 36.82 40.30 2awk h ILE 188 CO 0.59 0.84 0.39 -0.83 0.00 0.00 0.00 178.15 179.13 2awk s GLY 189 N -4.90 1.67 0.00 5.37 0.00 -1.26 -5.00 107.32 103.19 2awk s GLY 189 Ca -0.12 -0.90 0.19 0.00 0.00 0.00 0.00 44.72 43.90 2awk s GLY 189 CO 0.88 -0.32 1.34 2.09 0.00 0.00 0.00 173.10 177.09 2awk n ASP 190 N -3.42 3.30 -4.86 1.64 5.68 -1.26 -4.99 116.55 112.65 2awk n ASP 190 Ca 0.11 -1.94 -0.30 0.00 -0.50 0.00 0.00 54.79 52.16 2awk n ASP 190 Cb 0.60 -0.27 0.06 0.00 -1.14 0.00 0.00 41.12 40.37 2awk n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2awk s GLY 191 N -1.22 1.63 0.54 6.12 0.00 -1.26 -5.01 107.32 108.11 2awk s GLY 191 Ca 0.35 -0.26 -0.20 0.00 0.00 0.00 0.00 44.72 44.61 2awk s GLY 191 CO 0.27 0.12 1.17 2.56 0.00 0.00 0.00 173.10 177.22 2awk s PRO 192 N -5.27 3.33 0.32 2.90 0.04 -1.26 -5.04 135.00 130.02 2awk s PRO 192 Ca 0.59 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.43 2awk s PRO 192 Cb -0.12 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 2awk s PRO 192 CO 0.53 -0.90 -0.02 0.14 0.04 0.00 0.00 177.00 176.79 2awk s VAL 193 N -1.64 1.69 -0.21 -0.36 -7.23 -1.26 -4.82 120.40 106.55 2awk s VAL 193 Ca 0.72 -2.08 -0.20 0.00 -1.81 0.00 0.00 61.98 58.61 2awk s VAL 193 Cb -0.28 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 2awk s VAL 193 CO 0.31 -0.16 0.58 -0.76 -0.31 0.00 0.00 175.10 174.76 2awk s LEU 194 N -3.52 4.12 -0.34 1.32 1.43 -1.26 -5.04 118.68 115.38 2awk s LEU 194 Ca 0.33 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 2awk s LEU 194 Cb 0.06 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 2awk s LEU 194 CO 0.14 -0.26 0.22 -0.76 0.23 0.00 0.00 176.35 175.93 2awk s LEU 195 N 1.95 4.51 0.43 1.79 1.43 -1.26 -3.95 118.68 123.58 2awk s LEU 195 Ca 0.26 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 2awk s LEU 195 Cb -0.16 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 2awk s LEU 195 CO 0.10 -0.27 0.83 -2.16 0.23 0.00 0.00 176.35 175.08 2awk s PRO 196 N 1.67 3.85 0.78 1.29 0.04 -1.26 -4.93 135.00 136.44 2awk s PRO 196 Ca 0.05 0.63 -0.13 0.00 0.04 0.00 0.00 61.00 61.59 2awk s PRO 196 Cb -0.18 -2.32 0.07 0.00 0.04 0.00 0.00 34.50 32.11 2awk s PRO 196 CO 0.09 -0.09 1.18 -0.51 0.04 0.00 0.00 177.00 177.71 2awk s ASP 197 N -3.06 3.92 0.23 6.66 1.01 -1.26 -3.65 116.67 120.53 2awk s ASP 197 Ca 0.54 2.26 -0.31 0.00 0.71 0.00 0.00 52.55 55.75 2awk s ASP 197 Cb -0.10 -2.58 -0.13 0.00 1.01 0.00 0.00 42.92 41.12 2awk s ASP 197 CO 0.30 -2.44 1.43 0.59 0.21 0.00 0.00 175.17 175.26 2awk n ASN 198 N -3.16 2.82 -2.60 0.27 3.02 -1.26 -4.82 115.26 109.53 2awk n ASN 198 Ca 0.13 1.14 -0.05 0.00 -0.03 0.00 0.00 54.58 55.76 2awk n ASN 198 Cb 0.51 -1.43 0.02 0.00 -0.61 0.00 0.00 39.78 38.27 2awk n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2awk n HIS 199 N 2.05 -1.74 -4.13 3.10 1.44 -1.02 -4.75 115.22 110.17 2awk n HIS 199 Ca 0.12 -1.30 -0.09 0.00 -2.01 0.00 0.00 57.72 54.44 2awk n HIS 199 Cb 0.31 0.65 -0.10 0.00 0.12 0.00 0.00 29.99 30.97 2awk n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2awk s TYR 200 N -3.26 0.73 -0.24 -1.40 -0.85 -0.51 -0.74 117.35 111.09 2awk s TYR 200 Ca 0.15 -1.16 -0.06 0.00 -0.52 0.00 0.00 57.07 55.47 2awk s TYR 200 Cb -0.03 -0.45 -0.02 0.00 0.38 0.00 0.00 41.96 41.84 2awk s TYR 200 CO 0.07 -0.46 0.04 -0.51 -1.52 0.00 0.00 175.55 173.18 2awk s LEU 201 N -3.00 3.30 -0.24 -3.49 1.43 -0.34 -0.62 118.68 115.72 2awk s LEU 201 Ca 0.17 -0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.81 2awk s LEU 201 Cb 0.08 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 2awk s LEU 201 CO -0.03 -0.02 0.66 -0.55 0.23 0.00 0.00 176.35 176.64 2awk s SER 202 N 1.53 6.65 -0.07 2.29 0.15 0.40 -0.56 113.70 124.08 2awk s SER 202 Ca 0.06 0.80 0.04 0.00 0.70 0.00 0.00 55.95 57.54 2awk s SER 202 Cb -0.15 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2awk s SER 202 CO 0.02 -0.36 -0.19 -0.89 1.20 0.00 0.00 173.24 173.01 2awk s THR 203 N 2.38 1.64 -0.04 6.45 2.01 0.07 -1.24 115.64 126.92 2awk s THR 203 Ca 0.28 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.53 2awk s THR 203 Cb -0.16 -1.43 -0.00 0.00 0.01 0.00 0.00 72.50 70.92 2awk s THR 203 CO 0.09 0.47 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.23 2awk s GLN 204 N 0.32 1.63 -0.01 4.92 1.11 -0.00 -1.87 119.66 125.76 2awk s GLN 204 Ca -0.13 -0.57 0.01 0.00 0.01 0.00 0.00 55.36 54.69 2awk s GLN 204 Cb -0.16 -1.44 0.01 0.00 -1.01 0.00 0.00 33.01 30.41 2awk s GLN 204 CO 0.05 0.24 -0.04 -1.12 0.01 0.00 0.00 175.29 174.43 2awk s SER 205 N 0.02 0.59 -0.09 5.90 0.01 -1.26 -0.96 113.70 117.91 2awk s SER 205 Ca -0.03 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.17 2awk s SER 205 Cb -0.11 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 65.99 2awk s SER 205 CO 0.02 0.02 -0.16 0.00 0.41 0.00 0.00 173.24 173.52 2awk s ALA 206 N 0.22 1.68 -0.11 1.44 0.00 0.49 -4.52 121.76 120.96 2awk s ALA 206 Ca -0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2awk s ALA 206 Cb -0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2awk s ALA 206 CO -0.00 0.06 0.05 -0.51 0.00 0.00 0.00 175.76 175.36 2awk s LEU 207 N 0.75 3.86 0.36 0.00 1.43 -1.26 -1.55 118.68 122.27 2awk s LEU 207 Ca -0.12 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2awk s LEU 207 Cb -0.16 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.16 2awk s LEU 207 CO 0.02 0.36 0.52 -0.94 0.23 0.00 0.00 176.35 176.54 2awk s SER 208 N -0.76 0.95 0.09 2.29 1.04 0.13 -4.92 113.70 112.52 2awk s SER 208 Ca 0.12 -1.51 0.10 0.00 0.48 0.00 0.00 55.95 55.14 2awk s SER 208 Cb -0.12 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2awk s SER 208 CO 0.03 -1.37 -0.25 -0.54 0.98 0.00 0.00 173.24 172.09 2awk s LYS 209 N -2.85 1.48 -0.36 4.02 -0.14 -1.26 -1.34 119.74 119.28 2awk s LYS 209 Ca 0.29 -1.21 -0.24 0.00 -1.36 0.00 0.00 55.97 53.46 2awk s LYS 209 Cb -0.01 -1.80 0.01 0.00 -1.68 0.00 0.00 37.83 34.35 2awk s LYS 209 CO 0.21 0.44 0.84 0.34 -0.76 0.00 0.00 175.35 176.42 2awk s ASP 210 N -1.70 6.61 0.19 2.83 -1.08 -1.26 -4.93 116.67 117.33 2awk s ASP 210 Ca 0.11 0.48 0.17 0.00 -0.52 0.00 0.00 52.55 52.79 2awk s ASP 210 Cb -0.10 -2.42 0.80 0.00 -1.46 0.00 0.00 42.92 39.74 2awk s ASP 210 CO 0.04 -0.76 1.52 -0.81 0.52 0.00 0.00 175.17 175.68 2awk n PRO 211 N 6.52 0.11 -0.29 4.34 -0.04 -1.26 -1.48 135.00 142.89 2awk n PRO 211 Ca 0.05 0.48 0.10 0.00 -0.04 0.00 0.00 63.50 64.09 2awk n PRO 211 Cb 0.48 -1.77 0.26 0.00 -0.04 0.00 0.00 33.50 32.44 2awk n PRO 211 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2awk n ASN 212 N -1.98 3.62 -4.42 3.54 3.02 -1.26 -4.94 115.26 112.84 2awk n ASN 212 Ca 0.01 -1.98 -0.36 0.00 -0.03 0.00 0.00 54.58 52.21 2awk n ASN 212 Cb 0.11 -0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 38.77 2awk n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2awk s GLU 213 N -1.09 3.60 0.13 3.52 2.56 -0.55 -4.97 118.70 121.89 2awk s GLU 213 Ca 0.41 -0.51 0.22 0.00 0.00 0.00 0.00 54.97 55.10 2awk s GLU 213 Cb 0.22 -3.23 -0.06 0.00 2.00 0.00 0.00 34.13 33.06 2awk s GLU 213 CO 0.29 -0.16 0.92 1.63 -0.56 0.00 0.00 175.26 177.38 2awk n LYS 214 N 4.80 0.56 -1.60 4.30 5.02 -1.26 -4.90 118.16 125.09 2awk n LYS 214 Ca -0.17 0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 55.84 2awk n LYS 214 Cb 0.51 -1.72 0.05 0.00 -0.02 0.00 0.00 35.03 33.86 2awk n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2awk s ARG 215 N -3.37 2.84 0.01 1.97 0.52 -1.26 -4.98 118.95 114.67 2awk s ARG 215 Ca -0.01 1.08 -0.30 0.00 -0.52 0.00 0.00 55.73 55.97 2awk s ARG 215 Cb 0.11 -1.97 -0.06 0.00 0.52 0.00 0.00 34.95 33.55 2awk s ARG 215 CO 0.82 -1.18 1.40 0.34 0.02 0.00 0.00 175.30 176.70 2awk s ASP 216 N -3.44 6.85 0.27 0.23 -1.08 -1.26 -4.96 116.67 113.28 2awk s ASP 216 Ca 0.60 2.13 -0.20 0.00 -0.52 0.00 0.00 52.55 54.56 2awk s ASP 216 Cb -0.15 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.76 2awk s ASP 216 CO 0.51 -0.72 0.68 -1.38 0.52 0.00 0.00 175.17 174.79 2awk s HIS 217 N 2.32 -0.14 -0.09 -5.34 -3.43 -1.26 -1.03 115.29 106.33 2awk s HIS 217 Ca 0.64 -0.30 -0.04 0.00 -0.80 0.00 0.00 55.06 54.56 2awk s HIS 217 Cb -0.32 0.64 0.04 0.00 -1.43 0.00 0.00 32.58 31.52 2awk s HIS 217 CO 0.27 -1.19 0.19 1.41 -2.00 0.00 0.00 174.74 173.42 2awk s MET 218 N -3.92 0.12 -0.20 -0.38 1.75 -0.12 -4.96 119.30 111.60 2awk s MET 218 Ca 0.12 0.49 -0.10 0.00 -1.25 0.00 0.00 55.69 54.94 2awk s MET 218 Cb -0.05 -0.16 -0.05 0.00 2.84 0.00 0.00 34.83 37.41 2awk s MET 218 CO 0.06 -0.20 0.15 0.08 -0.65 0.00 0.00 175.02 174.46 2awk s VAL 219 N 1.49 5.40 -0.08 10.11 1.01 -0.45 -0.45 120.40 137.43 2awk s VAL 219 Ca -0.06 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.16 2awk s VAL 219 Cb -0.11 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2awk s VAL 219 CO -0.07 0.43 -0.16 -0.22 0.00 0.00 0.00 175.10 175.08 2awk s LEU 220 N 0.41 1.78 -0.14 3.92 2.96 0.04 -0.69 118.68 126.96 2awk s LEU 220 Ca 0.09 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 2awk s LEU 220 Cb -0.11 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.57 2awk s LEU 220 CO -0.01 0.07 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.67 2awk s LEU 221 N 0.57 2.23 0.00 -0.68 2.96 -0.60 -1.37 118.68 121.80 2awk s LEU 221 Ca -0.16 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.20 2awk s LEU 221 Cb -0.16 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 2awk s LEU 221 CO 0.05 0.09 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.44 2awk s GLU 222 N 0.78 0.21 -0.07 1.98 2.12 -0.45 -0.38 118.70 122.90 2awk s GLU 222 Ca -0.07 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.12 2awk s GLU 222 Cb -0.16 -0.15 -0.00 0.00 0.26 0.00 0.00 34.13 34.08 2awk s GLU 222 CO -0.01 0.04 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.49 2awk s PHE 223 N -0.29 2.07 -0.06 5.30 0.40 -0.13 -0.80 117.98 124.47 2awk s PHE 223 Ca -0.02 -0.71 -0.00 0.00 -0.60 0.00 0.00 56.93 55.60 2awk s PHE 223 Cb -0.02 -1.40 0.03 0.00 0.51 0.00 0.00 43.02 42.13 2awk s PHE 223 CO -0.00 -0.27 -0.01 0.08 0.70 0.00 0.00 175.22 175.72 2awk s VAL 224 N 0.19 0.36 -0.06 -0.44 1.01 -0.10 -0.82 120.40 120.54 2awk s VAL 224 Ca -0.10 0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2awk s VAL 224 Cb -0.15 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.78 2awk s VAL 224 CO 0.05 0.23 -0.06 -0.89 0.00 0.00 0.00 175.10 174.43 2awk s THR 225 N 1.53 0.70 0.35 3.92 2.01 -0.37 -0.71 115.64 123.07 2awk s THR 225 Ca -0.02 -0.18 -0.26 0.00 0.31 0.00 0.00 61.69 61.54 2awk s THR 225 Cb -0.13 -0.72 -0.09 0.00 0.01 0.00 0.00 72.50 71.57 2awk s THR 225 CO -0.03 0.28 1.06 0.00 -0.69 0.00 0.00 174.62 175.24 2awk s ALA 226 N 1.12 3.20 0.34 7.40 0.00 0.04 -0.45 121.76 133.41 2awk s ALA 226 Ca -0.07 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 2awk s ALA 226 Cb -0.14 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2awk s ALA 226 CO -0.01 -0.18 0.63 0.00 0.00 0.00 0.00 175.76 176.20 2awk s ALA 227 N -1.47 -0.16 0.00 0.00 0.00 0.21 -4.55 121.76 115.79 2awk s ALA 227 Ca 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2awk s ALA 227 Cb -0.26 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2awk s ALA 227 CO 0.32 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2awk n GLY 228 N -0.52 0.73 0.00 0.00 0.00 -1.26 -1.42 105.19 102.72 2awk n GLY 228 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2awk n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71