#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twi n LEU 16 N 0.00 2.96 0.00 3.17 0.00 -1.26 -0.24 117.00 121.63 1twi n LEU 16 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 56.01 57.04 1twi n LEU 16 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.10 1twi n LEU 16 CO 0.00 -0.29 0.00 0.61 0.00 0.00 0.00 177.39 177.71 1twi n GLY 17 N 3.95 2.93 3.21 -3.96 0.00 -1.26 -4.79 105.19 105.28 1twi n GLY 17 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1twi n GLY 17 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1twi n ASN 18 N 0.00 5.43 0.08 1.61 3.02 0.67 -4.84 115.26 121.23 1twi n ASN 18 Ca 0.00 -3.14 0.12 0.00 -0.03 0.00 0.00 54.58 51.53 1twi n ASN 18 Cb 0.00 -1.28 0.45 0.00 -0.61 0.00 0.00 39.78 38.34 1twi n ASN 18 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1twi n ASP 19 N 2.30 0.51 -0.22 6.41 8.00 -1.26 -3.65 116.55 128.65 1twi n ASP 19 Ca 0.24 0.59 0.05 0.00 0.71 0.00 0.00 54.79 56.38 1twi n ASP 19 Cb 0.38 -0.71 0.10 0.00 -0.02 0.00 0.00 41.12 40.86 1twi n ASP 19 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1twi n THR 20 N -2.02 1.44 -4.26 -3.53 -2.24 -1.26 -5.01 114.28 97.39 1twi n THR 20 Ca 0.04 -1.52 -0.24 0.00 -2.27 0.00 0.00 64.05 60.06 1twi n THR 20 Cb 0.29 0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 1twi n THR 20 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1twi s VAL 21 N -1.83 3.56 0.27 2.28 -7.23 -1.24 -0.72 120.40 115.49 1twi s VAL 21 Ca 0.19 -1.74 -0.21 0.00 -1.81 0.00 0.00 61.98 58.40 1twi s VAL 21 Cb 0.15 -2.87 0.03 0.00 0.56 0.00 0.00 36.38 34.25 1twi s VAL 21 CO 0.04 -0.29 0.76 -1.83 -0.31 0.00 0.00 175.10 173.47 1twi s GLU 22 N -3.44 1.72 -0.19 4.82 -1.05 -0.45 -4.99 118.70 115.12 1twi s GLU 22 Ca 0.30 -0.96 -0.03 0.00 -0.15 0.00 0.00 54.97 54.13 1twi s GLU 22 Cb -0.07 0.58 -0.02 0.00 -0.44 0.00 0.00 34.13 34.18 1twi s GLU 22 CO 0.20 -0.79 -0.05 0.42 0.95 0.00 0.00 175.26 175.99 1twi s ILE 23 N -3.78 3.55 -0.04 1.83 -1.09 -1.26 0.00 121.20 120.42 1twi s ILE 23 Ca 0.11 -0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.09 1twi s ILE 23 Cb -0.05 -2.58 0.01 0.00 -1.58 0.00 0.00 42.46 38.26 1twi s ILE 23 CO 0.06 0.45 -0.06 -0.54 -1.23 0.00 0.00 174.94 173.63 1twi s LYS 24 N 0.97 0.85 -1.52 2.79 1.02 0.36 -4.84 119.74 119.38 1twi s LYS 24 Ca 0.00 -0.18 -0.09 0.00 0.02 0.00 0.00 55.97 55.73 1twi s LYS 24 Cb -0.15 -0.82 0.07 0.00 -0.52 0.00 0.00 37.83 36.41 1twi s LYS 24 CO 0.01 -0.01 0.69 -0.25 -0.92 0.00 0.00 175.35 174.87 1twi n ASP 25 N 3.72 -2.32 -0.31 2.83 9.92 -1.26 -1.34 116.55 127.79 1twi n ASP 25 Ca -0.22 -0.94 -0.04 0.00 -0.53 0.00 0.00 54.79 53.06 1twi n ASP 25 Cb 0.52 -3.26 -0.02 0.00 -0.64 0.00 0.00 41.12 37.73 1twi n ASP 25 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1twi n GLY 26 N -1.70 0.61 3.21 0.44 0.00 -1.26 -5.00 105.19 101.49 1twi n GLY 26 Ca -0.11 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 1twi n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1twi s ARG 27 N -1.73 0.94 0.04 1.61 0.52 -0.45 -0.69 118.95 119.19 1twi s ARG 27 Ca 0.00 -1.23 -0.22 0.00 -0.52 0.00 0.00 55.73 53.76 1twi s ARG 27 Cb 0.00 -0.68 -0.06 0.00 0.52 0.00 0.00 34.95 34.74 1twi s ARG 27 CO 0.00 0.11 0.67 0.12 0.02 0.00 0.00 175.30 176.23 1twi s PHE 28 N -2.45 3.75 0.05 -0.53 5.36 -0.10 -0.49 117.98 123.57 1twi s PHE 28 Ca 0.08 1.36 0.08 0.00 -0.96 0.00 0.00 56.93 57.49 1twi s PHE 28 Cb -0.03 -2.69 -0.03 0.00 -0.34 0.00 0.00 43.02 39.94 1twi s PHE 28 CO 0.01 0.38 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.87 1twi s PHE 29 N -0.38 1.86 -0.15 10.12 0.40 0.10 -0.98 117.98 128.95 1twi s PHE 29 Ca 0.34 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 1twi s PHE 29 Cb -0.20 -1.10 0.03 0.00 0.51 0.00 0.00 43.02 42.27 1twi s PHE 29 CO 0.21 0.11 -0.10 0.42 0.70 0.00 0.00 175.22 176.56 1twi s ILE 30 N -0.85 1.34 -1.36 0.64 1.01 -0.57 -1.34 121.20 120.06 1twi s ILE 30 Ca 0.08 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1twi s ILE 30 Cb -0.09 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1twi s ILE 30 CO 0.02 0.34 0.06 0.47 0.00 0.00 0.00 174.94 175.83 1twi n ASP 31 N 4.83 -4.76 0.00 3.58 8.00 0.10 -0.87 116.55 127.43 1twi n ASP 31 Ca -0.14 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1twi n ASP 31 Cb 0.49 -3.99 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 1twi n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1twi n GLY 32 N -0.94 1.41 3.75 0.44 0.00 -1.26 -4.90 105.19 103.68 1twi n GLY 32 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1twi n GLY 32 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1twi s TYR 33 N -2.93 3.47 -0.00 1.61 2.02 -0.05 -5.05 117.35 116.42 1twi s TYR 33 Ca 0.00 0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 56.91 1twi s TYR 33 Cb 0.00 -2.23 -0.08 0.00 -0.40 0.00 0.00 41.96 39.24 1twi s TYR 33 CO 0.00 0.32 1.99 0.34 -1.57 0.00 0.00 175.55 176.64 1twi s ASP 34 N 0.22 6.31 0.21 2.29 -1.08 -1.26 -1.51 116.67 121.85 1twi s ASP 34 Ca 0.13 2.55 -0.07 0.00 -0.52 0.00 0.00 52.55 54.64 1twi s ASP 34 Cb -0.12 -2.53 0.15 0.00 -1.46 0.00 0.00 42.92 38.96 1twi s ASP 34 CO 0.02 -1.18 1.72 0.00 0.52 0.00 0.00 175.17 176.25 1twi h ALA 35 N 11.20 0.97 -0.83 3.66 0.00 -1.42 -1.50 119.26 131.33 1twi h ALA 35 Ca -0.48 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1twi h ALA 35 Cb 1.24 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1twi h ALA 35 CO 0.94 0.66 0.42 0.82 0.00 0.00 0.00 179.25 182.09 1twi h ILE 36 N 1.04 1.25 -0.13 0.00 2.04 -1.90 -0.72 117.51 119.09 1twi h ILE 36 Ca 0.21 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 1twi h ILE 36 Cb 0.39 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1twi h ILE 36 CO 0.01 0.30 -0.23 -0.33 0.00 0.00 0.00 178.15 177.89 1twi h GLU 37 N 1.18 0.23 -0.41 2.37 5.08 -1.83 -0.04 114.58 121.16 1twi h GLU 37 Ca 0.29 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1twi h GLU 37 Cb 0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1twi h GLU 37 CO -0.04 0.46 0.03 -0.07 -1.00 0.00 0.00 179.01 178.39 1twi h LEU 38 N 0.21 0.67 -1.19 1.33 3.38 -0.52 0.23 115.31 119.42 1twi h LEU 38 Ca 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1twi h LEU 38 Cb 0.54 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1twi h LEU 38 CO 0.04 0.79 0.35 0.00 0.09 0.00 0.00 178.44 179.71 1twi h ALA 39 N 0.91 1.38 -0.28 1.53 0.00 -0.56 0.28 119.26 122.51 1twi h ALA 39 Ca 0.12 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1twi h ALA 39 Cb 0.42 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1twi h ALA 39 CO 0.01 0.51 -0.40 0.93 0.00 0.00 0.00 179.25 180.30 1twi h GLU 40 N 0.92 0.76 -0.02 0.00 5.08 -0.67 0.68 114.58 121.34 1twi h GLU 40 Ca 0.23 -0.45 -0.25 0.00 -1.00 0.00 0.00 59.36 57.89 1twi h GLU 40 Cb 0.04 0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.35 1twi h GLU 40 CO -0.04 1.07 -0.98 -0.22 -1.00 0.00 0.00 179.01 177.85 1twi h LYS 41 N 0.51 0.69 -0.01 2.33 3.64 -0.70 -3.37 116.57 119.68 1twi h LYS 41 Ca 0.03 -0.73 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 1twi h LYS 41 Cb 0.99 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1twi h LYS 41 CO 0.09 1.31 -0.72 1.19 -2.27 0.00 0.00 179.45 179.04 1twi n PHE 42 N -3.89 0.00 0.00 1.91 3.72 0.06 -5.10 117.46 114.16 1twi n PHE 42 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1twi n PHE 42 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 1twi n PHE 42 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1twi n GLY 43 N 1.40 -0.81 3.37 1.37 0.00 0.23 -4.99 105.19 105.77 1twi n GLY 43 Ca 0.05 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 1twi n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1twi s THR 44 N -2.53 2.00 0.59 2.61 -4.23 -1.26 -4.26 115.64 108.56 1twi s THR 44 Ca 0.00 -2.07 -0.18 0.00 -1.18 0.00 0.00 61.69 58.26 1twi s THR 44 Cb 0.00 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1twi s THR 44 CO 0.00 -0.35 1.12 -2.16 -0.54 0.00 0.00 174.62 172.69 1twi s PRO 45 N -3.05 3.14 -0.03 3.99 0.04 -1.26 -4.96 135.00 132.88 1twi s PRO 45 Ca 0.20 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 62.75 1twi s PRO 45 Cb -0.05 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1twi s PRO 45 CO 0.09 -1.00 0.05 -1.17 0.04 0.00 0.00 177.00 175.00 1twi s LEU 46 N -4.23 1.12 -0.00 -3.56 2.96 -0.14 -4.10 118.68 110.73 1twi s LEU 46 Ca 0.70 0.08 -0.19 0.00 -0.22 0.00 0.00 54.13 54.50 1twi s LEU 46 Cb -0.22 0.01 -0.06 0.00 0.50 0.00 0.00 46.19 46.42 1twi s LEU 46 CO 0.33 -0.12 0.55 -0.31 -1.32 0.00 0.00 176.35 175.48 1twi s TYR 47 N 0.97 3.69 -0.13 5.38 2.02 -0.91 -0.42 117.35 127.95 1twi s TYR 47 Ca -0.08 1.15 0.02 0.00 -0.37 0.00 0.00 57.07 57.79 1twi s TYR 47 Cb -0.11 -2.54 0.01 0.00 -0.40 0.00 0.00 41.96 38.92 1twi s TYR 47 CO -0.03 0.42 -0.20 0.08 -1.57 0.00 0.00 175.55 174.24 1twi s VAL 48 N -0.39 1.90 -0.16 0.71 1.01 0.72 -1.00 120.40 123.18 1twi s VAL 48 Ca 0.29 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1twi s VAL 48 Cb -0.18 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1twi s VAL 48 CO 0.16 0.52 -0.08 -0.04 0.00 0.00 0.00 175.10 175.66 1twi s MET 49 N 0.82 3.47 -0.35 2.72 -1.94 0.14 -0.93 119.30 123.22 1twi s MET 49 Ca -0.08 -0.62 -0.22 0.00 -1.71 0.00 0.00 55.69 53.06 1twi s MET 49 Cb -0.16 -2.81 0.01 0.00 2.01 0.00 0.00 34.83 33.88 1twi s MET 49 CO -0.01 0.11 0.73 0.45 -0.01 0.00 0.00 175.02 176.30 1twi s SER 50 N 0.65 6.53 0.16 3.03 0.15 0.87 -1.19 113.70 123.90 1twi s SER 50 Ca -0.04 0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.82 1twi s SER 50 Cb -0.15 -2.37 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1twi s SER 50 CO 0.02 -0.66 1.69 -0.08 1.20 0.00 0.00 173.24 175.41 1twi h GLU 51 N 8.41 0.85 -0.60 5.44 4.81 -1.46 -2.44 114.58 129.58 1twi h GLU 51 Ca -0.25 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 1twi h GLU 51 Cb 1.10 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 1twi h GLU 51 CO 0.88 0.78 0.09 1.49 -0.73 0.00 0.00 179.01 181.51 1twi h GLU 52 N 0.76 0.98 -0.85 1.92 4.57 -1.93 -1.88 114.58 118.15 1twi h GLU 52 Ca 0.18 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1twi h GLU 52 Cb 0.28 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1twi h GLU 52 CO -0.01 0.91 0.51 0.37 -1.18 0.00 0.00 179.01 179.61 1twi h GLN 53 N 0.92 1.16 -0.61 1.92 5.75 -1.88 0.10 115.11 122.48 1twi h GLN 53 Ca 0.19 -0.11 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1twi h GLN 53 Cb 0.41 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 1twi h GLN 53 CO 0.01 0.82 0.23 0.82 -2.65 0.00 0.00 178.83 178.05 1twi h ILE 54 N 1.18 1.23 -0.79 2.39 2.04 -1.05 0.47 117.51 122.98 1twi h ILE 54 Ca 0.31 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1twi h ILE 54 Cb -0.04 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1twi h ILE 54 CO -0.06 0.29 0.33 0.11 0.00 0.00 0.00 178.15 178.83 1twi h LYS 55 N 0.85 1.18 -0.35 2.37 1.57 -0.79 -0.45 116.57 120.94 1twi h LYS 55 Ca 0.20 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1twi h LYS 55 Cb 0.23 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1twi h LYS 55 CO -0.01 0.94 0.16 0.82 -0.57 0.00 0.00 179.45 180.79 1twi h ILE 56 N 1.15 1.17 -0.68 1.86 2.04 -0.48 0.58 117.51 123.15 1twi h ILE 56 Ca 0.27 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1twi h ILE 56 Cb 0.19 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1twi h ILE 56 CO -0.03 0.18 0.28 0.78 0.00 0.00 0.00 178.15 179.36 1twi h ASN 57 N 0.43 0.94 -0.17 1.72 2.35 -0.56 -0.64 115.58 119.64 1twi h ASN 57 Ca 0.12 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1twi h ASN 57 Cb 0.14 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1twi h ASN 57 CO -0.01 0.85 0.02 0.22 -1.65 0.00 0.00 177.43 176.85 1twi h TYR 58 N 0.97 0.31 0.00 1.19 3.20 -0.97 -2.82 116.97 118.84 1twi h TYR 58 Ca 0.23 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1twi h TYR 58 Cb 0.20 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 1twi h TYR 58 CO 0.01 0.47 -0.08 -0.91 -1.64 0.00 0.00 178.16 176.02 1twi h ASN 59 N 0.05 0.00 -0.76 -2.11 2.35 -0.64 -1.65 115.58 112.82 1twi h ASN 59 Ca 0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1twi h ASN 59 Cb 0.34 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 1twi h ASN 59 CO 0.01 0.08 0.32 0.03 -1.65 0.00 0.00 177.43 176.21 1twi h ARG 60 N 0.00 1.14 -0.45 0.81 3.08 -0.86 0.18 114.38 118.27 1twi h ARG 60 Ca -0.00 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 1twi h ARG 60 Cb 0.14 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1twi h ARG 60 CO 0.01 0.92 0.04 1.88 -1.07 0.00 0.00 179.97 181.74 1twi h TYR 61 N 1.12 0.84 -0.37 3.04 0.05 -1.22 -0.99 116.97 119.44 1twi h TYR 61 Ca 0.26 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 1twi h TYR 61 Cb 0.20 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 1twi h TYR 61 CO 0.02 0.80 0.07 0.82 -1.05 0.00 0.00 178.16 178.82 1twi h ILE 62 N 0.63 1.23 -0.59 -2.88 1.08 -1.04 0.98 117.51 116.93 1twi h ILE 62 Ca 0.13 -0.82 -0.09 0.00 -0.39 0.00 0.00 64.86 63.70 1twi h ILE 62 Cb 0.44 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.22 1twi h ILE 62 CO 0.02 0.28 0.03 -0.08 -0.69 0.00 0.00 178.15 177.71 1twi h GLU 63 N 0.46 1.02 -0.30 2.37 4.57 -0.99 -1.24 114.58 120.48 1twi h GLU 63 Ca 0.11 -0.31 -0.13 0.00 -1.18 0.00 0.00 59.36 57.85 1twi h GLU 63 Cb 0.34 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1twi h GLU 63 CO 0.01 0.99 -0.36 0.00 -1.18 0.00 0.00 179.01 178.47 1twi h ALA 64 N 0.99 0.82 -0.16 2.92 0.00 -0.89 -3.30 119.26 119.63 1twi h ALA 64 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1twi h ALA 64 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1twi h ALA 64 CO 0.02 0.64 0.00 1.19 0.00 0.00 0.00 179.25 181.11 1twi n PHE 65 N -4.05 0.19 0.30 0.00 3.72 0.31 -4.42 117.46 113.51 1twi n PHE 65 Ca -0.01 -0.10 0.18 0.00 -0.05 0.00 0.00 57.45 57.46 1twi n PHE 65 Cb 0.50 -0.00 0.93 0.00 -0.94 0.00 0.00 39.48 39.97 1twi n PHE 65 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1twi h LYS 66 N 4.14 0.00 -0.81 -1.08 2.10 -1.31 -0.77 116.57 118.84 1twi h LYS 66 Ca 0.00 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.80 1twi h LYS 66 Cb 0.90 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.18 1twi h LYS 66 CO 0.00 0.03 0.53 -0.09 -2.00 0.00 0.00 179.45 177.93 1twi h ARG 67 N 0.00 0.50 0.03 0.07 2.43 -1.82 -1.47 114.38 114.12 1twi h ARG 67 Ca -0.00 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1twi h ARG 67 Cb 0.21 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1twi h ARG 67 CO 0.00 0.33 -0.21 2.35 -1.51 0.00 0.00 179.97 180.93 1twi h TRP 68 N 0.51 -0.55 -0.62 2.20 2.91 -1.47 0.78 115.95 119.71 1twi h TRP 68 Ca 0.40 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.37 1twi h TRP 68 Cb 0.82 0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.68 1twi h TRP 68 CO -0.00 -0.30 0.10 1.49 -1.03 0.00 0.00 178.44 178.70 1twi h GLU 69 N -0.35 1.01 -0.59 2.65 4.81 -1.62 -1.20 114.58 119.29 1twi h GLU 69 Ca 0.05 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1twi h GLU 69 Cb 0.41 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1twi h GLU 69 CO -0.17 0.93 0.34 0.93 -0.73 0.00 0.00 179.01 180.30 1twi h GLU 70 N 0.95 0.81 0.00 1.92 5.08 -0.84 -0.83 114.58 121.67 1twi h GLU 70 Ca 0.19 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1twi h GLU 70 Cb 0.41 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1twi h GLU 70 CO 0.01 0.61 -1.29 0.93 -1.00 0.00 0.00 179.01 178.27 1twi h GLU 71 N 0.80 0.00 0.00 2.33 5.08 -0.73 -3.39 114.58 118.66 1twi h GLU 71 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1twi h GLU 71 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1twi h GLU 71 CO -0.04 0.24 -0.92 0.25 -1.00 0.00 0.00 179.01 177.54 1twi n THR 72 N -2.87 0.00 -0.68 1.13 -2.24 -0.46 -4.99 114.28 104.17 1twi n THR 72 Ca -0.07 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1twi n THR 72 Cb 0.78 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1twi n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1twi n GLY 73 N 1.53 0.97 3.98 3.38 0.00 -0.32 -5.00 105.19 109.73 1twi n GLY 73 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1twi n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1twi s LYS 74 N -0.24 1.76 0.28 1.61 -0.14 -1.26 -5.02 119.74 116.73 1twi s LYS 74 Ca 0.00 -0.94 -0.06 0.00 -1.36 0.00 0.00 55.97 53.61 1twi s LYS 74 Cb 0.00 -2.30 -0.06 0.00 -1.68 0.00 0.00 37.83 33.79 1twi s LYS 74 CO 0.00 -1.41 0.56 -2.00 -0.76 0.00 0.00 175.35 171.74 1twi s GLU 75 N -5.16 3.67 -0.14 1.68 2.12 -1.26 -4.18 118.70 115.42 1twi s GLU 75 Ca 0.65 0.07 0.02 0.00 0.36 0.00 0.00 54.97 56.08 1twi s GLU 75 Cb -0.06 -2.64 0.01 0.00 0.26 0.00 0.00 34.13 31.70 1twi s GLU 75 CO 0.44 0.22 -0.21 0.12 -0.54 0.00 0.00 175.26 175.30 1twi s PHE 76 N -2.04 2.69 -0.08 5.30 5.36 -1.26 -0.74 117.98 127.21 1twi s PHE 76 Ca 0.45 -1.33 0.02 0.00 -0.96 0.00 0.00 56.93 55.11 1twi s PHE 76 Cb -0.11 -1.83 0.01 0.00 -0.34 0.00 0.00 43.02 40.75 1twi s PHE 76 CO 0.28 -0.61 -0.15 0.42 -1.46 0.00 0.00 175.22 173.71 1twi s ILE 77 N 0.85 1.36 -0.39 3.12 1.01 -0.12 -4.99 121.20 122.04 1twi s ILE 77 Ca -0.06 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 1twi s ILE 77 Cb -0.15 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.10 1twi s ILE 77 CO -0.02 0.41 0.51 -0.69 0.00 0.00 0.00 174.94 175.14 1twi s VAL 78 N 0.70 5.01 -0.72 2.92 1.01 -1.26 -1.96 120.40 126.10 1twi s VAL 78 Ca -0.13 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1twi s VAL 78 Cb -0.16 -4.03 0.19 0.00 0.00 0.00 0.00 36.38 32.38 1twi s VAL 78 CO 0.03 -0.35 0.65 0.00 0.00 0.00 0.00 175.10 175.43 1twi s ALA 79 N 2.38 3.89 0.13 5.51 0.00 0.67 0.76 121.76 135.10 1twi s ALA 79 Ca 0.17 -3.10 -0.34 0.00 0.00 0.00 0.00 51.96 48.69 1twi s ALA 79 Cb -0.16 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 1twi s ALA 79 CO 0.14 -2.18 1.62 0.98 0.00 0.00 0.00 175.76 176.32 1twi n TYR 80 N 4.25 2.28 -2.49 0.00 9.36 -0.88 -3.52 117.16 126.16 1twi n TYR 80 Ca 0.06 0.23 -0.41 0.00 3.32 0.00 0.00 57.90 61.10 1twi n TYR 80 Cb 0.44 -2.56 -0.03 0.00 -0.63 0.00 0.00 39.34 36.56 1twi n TYR 80 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1twi s ALA 81 N 1.32 2.80 0.57 2.98 0.00 -0.28 -0.16 121.76 128.98 1twi s ALA 81 Ca 0.81 -1.00 0.28 0.00 0.00 0.00 0.00 51.96 52.04 1twi s ALA 81 Cb -0.68 -4.16 1.51 0.00 0.00 0.00 0.00 23.12 19.78 1twi s ALA 81 CO 0.40 -3.06 1.99 1.88 0.00 0.00 0.00 175.76 176.97 1twi h TYR 82 N 10.41 0.00 0.00 0.00 -1.99 -1.72 -1.36 116.97 122.31 1twi h TYR 82 Ca -0.27 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.46 1twi h TYR 82 Cb 1.07 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.80 1twi h TYR 82 CO 1.08 0.00 -0.01 1.57 -0.00 0.00 0.00 178.16 180.79 1twi h LYS 83 N 0.00 0.00 0.00 4.88 2.10 -1.89 -1.24 116.57 120.42 1twi h LYS 83 Ca 0.19 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.74 1twi h LYS 83 Cb 0.93 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.25 1twi h LYS 83 CO -0.00 0.01 -0.50 0.00 -2.00 0.00 0.00 179.45 176.96 1twi h ALA 84 N 1.99 1.01 0.00 0.07 0.00 -1.62 -3.43 119.26 117.28 1twi h ALA 84 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1twi h ALA 84 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1twi h ALA 84 CO 0.00 0.63 0.00 -1.71 0.00 0.00 0.00 179.25 178.17 1twi n ASN 85 N -3.71 0.00 -1.11 0.00 2.85 -0.47 -1.20 115.26 111.61 1twi n ASN 85 Ca -0.01 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.45 1twi n ASN 85 Cb 0.56 0.00 0.21 0.00 1.24 0.00 0.00 39.78 41.79 1twi n ASN 85 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1twi n ALA 86 N 0.00 3.97 -1.73 5.20 0.00 -1.18 -4.77 120.51 122.00 1twi n ALA 86 Ca 0.00 -2.90 -0.42 0.00 0.00 0.00 0.00 53.44 50.12 1twi n ALA 86 Cb 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1twi n ALA 86 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1twi n ASN 87 N -0.97 3.78 -0.04 0.00 2.85 -1.26 -4.79 115.26 114.83 1twi n ASN 87 Ca 0.31 1.13 0.09 0.00 -0.11 0.00 0.00 54.58 56.00 1twi n ASN 87 Cb 1.02 -1.57 0.49 0.00 1.24 0.00 0.00 39.78 40.95 1twi n ASN 87 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1twi h LEU 88 N 5.09 0.38 -0.33 1.20 5.85 -1.96 -0.29 115.31 125.25 1twi h LEU 88 Ca -0.46 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.08 1twi h LEU 88 Cb 1.23 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1twi h LEU 88 CO 0.82 0.24 -0.50 0.00 -0.34 0.00 0.00 178.44 178.66 1twi h ALA 89 N 1.73 0.50 -0.40 1.25 0.00 -1.89 -1.25 119.26 119.21 1twi h ALA 89 Ca 0.22 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1twi h ALA 89 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1twi h ALA 89 CO -0.06 0.68 0.10 0.82 0.00 0.00 0.00 179.25 180.79 1twi h ILE 90 N 0.70 1.23 -0.22 0.00 1.08 -1.48 0.22 117.51 119.04 1twi h ILE 90 Ca 0.03 -0.79 -0.12 0.00 -0.39 0.00 0.00 64.86 63.59 1twi h ILE 90 Cb 1.11 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 1twi h ILE 90 CO 0.11 0.27 -0.36 0.71 -0.69 0.00 0.00 178.15 178.19 1twi h THR 91 N 0.51 1.29 -0.32 -0.27 1.35 -1.18 -0.82 112.91 113.47 1twi h THR 91 Ca 0.13 -1.48 -0.12 0.00 -0.55 0.00 0.00 66.41 64.38 1twi h THR 91 Cb 0.31 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1twi h THR 91 CO 0.00 0.46 -0.30 0.03 -0.25 0.00 0.00 175.52 175.47 1twi h ARG 92 N 0.40 0.68 0.49 4.72 3.08 -0.98 0.85 114.38 123.61 1twi h ARG 92 Ca 0.04 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1twi h ARG 92 Cb 0.82 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1twi h ARG 92 CO 0.07 0.89 -0.24 1.25 -1.07 0.00 0.00 179.97 180.87 1twi h LEU 93 N 0.58 -0.59 -1.03 3.04 5.85 -0.65 -0.74 115.31 121.77 1twi h LEU 93 Ca 0.07 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1twi h LEU 93 Cb 0.80 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1twi h LEU 93 CO 0.07 -0.41 0.64 -0.07 -0.34 0.00 0.00 178.44 178.33 1twi h LEU 94 N -0.67 1.05 -0.36 2.25 3.38 -0.99 -1.63 115.31 118.32 1twi h LEU 94 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1twi h LEU 94 Cb 0.52 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1twi h LEU 94 CO 0.10 0.69 0.20 0.00 0.09 0.00 0.00 178.44 179.52 1twi h ALA 95 N 1.45 0.47 0.00 1.53 0.00 -0.58 -1.93 119.26 120.20 1twi h ALA 95 Ca 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1twi h ALA 95 Cb 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1twi h ALA 95 CO -0.15 -0.01 -0.06 0.87 0.00 0.00 0.00 179.25 179.91 1twi h LYS 96 N 0.46 0.00 0.00 0.00 1.57 -0.48 -0.66 116.57 117.46 1twi h LYS 96 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1twi h LYS 96 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1twi h LYS 96 CO -0.02 0.06 0.00 1.28 -0.57 0.00 0.00 179.45 180.20 1twi n LEU 97 N -3.96 0.00 0.00 2.94 4.77 -0.68 -4.87 117.00 115.21 1twi n LEU 97 Ca -0.03 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1twi n LEU 97 Cb 0.14 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1twi n LEU 97 CO 0.30 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1twi n GLY 98 N 0.90 0.81 3.80 -0.72 0.00 -0.25 -5.08 105.19 104.64 1twi n GLY 98 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1twi n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twi n GLY 100 N -0.17 0.90 3.02 0.00 0.00 0.23 -4.51 105.19 104.65 1twi n GLY 100 Ca 0.09 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1twi n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twi s ALA 101 N -2.72 -0.42 -0.41 4.61 0.00 0.05 -2.06 121.76 120.80 1twi s ALA 101 Ca 0.00 0.68 -0.13 0.00 0.00 0.00 0.00 51.96 52.52 1twi s ALA 101 Cb 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1twi s ALA 101 CO 0.00 -0.13 0.28 0.34 0.00 0.00 0.00 175.76 176.25 1twi s ASP 102 N 0.70 5.91 0.06 0.00 2.15 0.77 -1.49 116.67 124.76 1twi s ASP 102 Ca -0.05 -1.12 0.04 0.00 0.43 0.00 0.00 52.55 51.85 1twi s ASP 102 Cb -0.06 -2.09 -0.04 0.00 -0.30 0.00 0.00 42.92 40.43 1twi s ASP 102 CO -0.04 -0.48 -0.01 0.68 -0.17 0.00 0.00 175.17 175.14 1twi s VAL 103 N 1.59 3.97 0.00 1.11 -7.23 -0.48 -2.04 120.40 117.31 1twi s VAL 103 Ca 0.03 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1twi s VAL 103 Cb -0.21 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1twi s VAL 103 CO 0.07 0.22 0.94 1.33 -0.31 0.00 0.00 175.10 177.34 1twi n VAL 104 N 0.90 0.88 -3.56 1.32 0.24 -1.26 -0.98 118.33 115.87 1twi n VAL 104 Ca -0.12 -0.88 -0.11 0.00 -2.04 0.00 0.00 64.34 61.19 1twi n VAL 104 Cb 0.52 0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 33.43 1twi n VAL 104 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1twi s SER 105 N -0.88 -0.46 0.43 -1.34 1.04 -1.26 -4.73 113.70 106.50 1twi s SER 105 Ca 0.00 -0.20 0.11 0.00 0.48 0.00 0.00 55.95 56.34 1twi s SER 105 Cb 0.00 0.63 0.96 0.00 0.10 0.00 0.00 66.02 67.71 1twi s SER 105 CO 0.00 -1.07 2.02 1.23 0.98 0.00 0.00 173.24 176.40 1twi h GLY 106 N 2.02 0.56 0.93 7.32 0.00 -1.97 -0.47 103.07 111.47 1twi h GLY 106 Ca -0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1twi h GLY 106 CO 0.34 0.14 0.12 -1.33 0.00 0.00 0.00 176.54 175.81 1twi h GLY 107 N 0.46 0.66 1.58 4.60 0.00 -1.99 0.23 103.07 108.61 1twi h GLY 107 Ca 0.22 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1twi h GLY 107 CO -0.06 0.37 -0.34 0.83 0.00 0.00 0.00 176.54 177.34 1twi h GLU 108 N 0.49 0.48 -0.46 4.80 5.08 -1.80 -1.10 114.58 122.07 1twi h GLU 108 Ca 0.13 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1twi h GLU 108 Cb 0.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1twi h GLU 108 CO -0.00 0.76 -0.05 1.25 -1.00 0.00 0.00 179.01 179.97 1twi h LEU 109 N 0.41 0.84 -0.05 1.33 5.85 -0.80 0.67 115.31 123.56 1twi h LEU 109 Ca 0.05 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1twi h LEU 109 Cb 0.79 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1twi h LEU 109 CO 0.06 0.97 -0.07 0.22 -0.34 0.00 0.00 178.44 179.29 1twi h TYR 110 N 0.69 -0.16 -0.83 1.25 3.20 -0.76 -0.31 116.97 120.05 1twi h TYR 110 Ca 0.12 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1twi h TYR 110 Cb 0.57 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1twi h TYR 110 CO 0.04 -0.10 0.49 0.82 -1.64 0.00 0.00 178.16 177.77 1twi h ILE 111 N -0.09 1.23 -0.57 1.81 2.04 -0.87 0.01 117.51 121.08 1twi h ILE 111 Ca 0.05 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1twi h ILE 111 Cb 0.16 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 1twi h ILE 111 CO -0.11 0.25 0.38 0.00 0.00 0.00 0.00 178.15 178.67 1twi h ALA 112 N 1.26 0.72 -0.39 1.87 0.00 -0.33 0.12 119.26 122.51 1twi h ALA 112 Ca 0.30 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1twi h ALA 112 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1twi h ALA 112 CO -0.05 0.16 -0.10 0.87 0.00 0.00 0.00 179.25 180.12 1twi h LYS 113 N 0.77 0.76 0.00 0.00 1.79 -0.85 -1.64 116.57 117.39 1twi h LYS 113 Ca 0.21 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1twi h LYS 113 Cb -0.09 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1twi h LYS 113 CO -0.05 0.90 0.00 1.28 -1.08 0.00 0.00 179.45 180.50 1twi n LEU 114 N -4.34 0.64 -0.62 2.94 4.77 -0.03 -1.65 117.00 118.70 1twi n LEU 114 Ca -0.01 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 1twi n LEU 114 Cb 0.36 -0.63 0.40 0.00 -2.33 0.00 0.00 43.42 41.22 1twi n LEU 114 CO 0.43 -0.64 0.80 -1.20 -1.33 0.00 0.00 177.39 175.44 1twi n SER 115 N -2.23 1.94 -0.87 -1.43 7.64 0.40 -4.93 113.62 114.13 1twi n SER 115 Ca 0.01 -1.65 -0.09 0.00 1.01 0.00 0.00 58.87 58.16 1twi n SER 115 Cb 0.18 -0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 1twi n SER 115 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1twi n ASN 116 N 0.52 -3.57 -4.69 6.43 5.15 -0.66 -4.66 115.26 113.77 1twi n ASN 116 Ca 0.18 0.10 -0.42 0.00 -0.60 0.00 0.00 54.58 53.83 1twi n ASN 116 Cb 0.43 -2.40 -0.03 0.00 -0.53 0.00 0.00 39.78 37.25 1twi n ASN 116 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1twi s VAL 117 N -2.40 3.64 0.29 3.44 1.01 -0.82 -4.96 120.40 120.60 1twi s VAL 117 Ca 0.00 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 1twi s VAL 117 Cb 0.00 -3.68 -0.13 0.00 0.00 0.00 0.00 36.38 32.57 1twi s VAL 117 CO 0.00 0.01 1.40 -2.65 0.00 0.00 0.00 175.10 173.86 1twi n PRO 118 N 5.14 2.19 -0.03 2.72 -0.02 -1.26 -4.71 135.00 139.03 1twi n PRO 118 Ca 0.13 0.78 0.11 0.00 -2.02 0.00 0.00 63.50 62.49 1twi n PRO 118 Cb 0.43 -2.43 0.52 0.00 -0.02 0.00 0.00 33.50 32.01 1twi n PRO 118 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1twi h SER 119 N 3.69 0.32 0.04 2.55 0.02 -1.86 0.52 113.55 118.82 1twi h SER 119 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1twi h SER 119 Cb 1.27 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1twi h SER 119 CO 0.71 0.20 0.00 0.29 -1.14 0.00 0.00 176.83 176.89 1twi n LYS 120 N -4.47 0.64 -0.32 3.45 4.76 -1.26 -1.19 118.16 119.76 1twi n LYS 120 Ca 0.08 0.01 0.08 0.00 -2.87 0.00 0.00 58.31 55.61 1twi n LYS 120 Cb 0.32 -1.50 0.21 0.00 -1.84 0.00 0.00 35.03 32.22 1twi n LYS 120 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1twi n LYS 121 N -1.03 2.18 -4.46 1.97 5.02 0.17 -4.62 118.16 117.39 1twi n LYS 121 Ca 0.16 -2.77 -0.34 0.00 -2.02 0.00 0.00 58.31 53.34 1twi n LYS 121 Cb 0.08 -1.70 -0.14 0.00 -0.02 0.00 0.00 35.03 33.25 1twi n LYS 121 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1twi s ILE 122 N -2.89 3.03 0.05 -0.18 1.01 -0.78 -0.77 121.20 120.67 1twi s ILE 122 Ca 0.38 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.48 1twi s ILE 122 Cb 0.32 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1twi s ILE 122 CO 0.06 0.50 -0.26 0.68 0.00 0.00 0.00 174.94 175.91 1twi s VAL 123 N 0.78 2.18 -0.28 2.92 -7.23 -0.56 -1.55 120.40 116.66 1twi s VAL 123 Ca -0.04 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1twi s VAL 123 Cb -0.15 -1.86 0.04 0.00 0.56 0.00 0.00 36.38 34.96 1twi s VAL 123 CO 0.01 0.34 -0.01 0.12 -0.31 0.00 0.00 175.10 175.25 1twi s PHE 124 N -0.84 3.19 0.25 2.82 2.19 -0.17 -1.38 117.98 124.04 1twi s PHE 124 Ca 0.12 -1.65 0.06 0.00 0.33 0.00 0.00 56.93 55.78 1twi s PHE 124 Cb -0.10 -2.11 -0.03 0.00 -1.31 0.00 0.00 43.02 39.46 1twi s PHE 124 CO 0.03 -0.75 0.32 -0.80 1.83 0.00 0.00 175.22 175.84 1twi s ASN 125 N 1.31 6.07 0.00 6.13 0.01 -0.16 -0.00 114.94 128.30 1twi s ASN 125 Ca -0.03 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 1twi s ASN 125 Cb -0.18 -1.68 0.00 0.00 0.41 0.00 0.00 41.25 39.79 1twi s ASN 125 CO -0.02 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.09 1twi n GLY 126 N -1.36 4.59 0.59 0.66 0.00 -1.26 -4.16 105.19 104.24 1twi n GLY 126 Ca -0.08 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.38 1twi n GLY 126 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1twi n ASN 127 N 0.00 1.89 -3.17 1.61 6.94 -1.26 -4.40 115.26 116.88 1twi n ASN 127 Ca 0.00 -1.57 -0.18 0.00 -0.02 0.00 0.00 54.58 52.81 1twi n ASN 127 Cb 0.00 0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.44 1twi n ASN 127 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1twi s LYS 129 N -2.19 4.43 0.45 0.00 1.02 -1.26 -5.01 119.74 117.19 1twi s LYS 129 Ca 0.39 1.80 0.01 0.00 0.02 0.00 0.00 55.97 58.19 1twi s LYS 129 Cb 0.33 -3.33 -0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1twi s LYS 129 CO -0.08 -0.25 0.67 0.95 -0.92 0.00 0.00 175.35 175.73 1twi s THR 130 N 0.91 3.92 0.23 2.17 -4.23 -1.26 -4.93 115.64 112.46 1twi s THR 130 Ca 0.58 -0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 60.50 1twi s THR 130 Cb -0.30 -3.45 0.19 0.00 1.34 0.00 0.00 72.50 70.28 1twi s THR 130 CO 0.30 -0.31 1.87 0.50 -0.54 0.00 0.00 174.62 176.44 1twi h LYS 131 N 0.39 1.00 -0.90 3.99 3.64 -1.97 -0.13 116.57 122.58 1twi h LYS 131 Ca -0.46 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1twi h LYS 131 Cb 1.25 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 1twi h LYS 131 CO 0.57 0.66 0.58 0.93 -2.27 0.00 0.00 179.45 179.92 1twi h GLU 132 N 1.03 1.20 -0.40 1.90 3.07 -2.00 -0.70 114.58 118.68 1twi h GLU 132 Ca 0.33 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.99 1twi h GLU 132 Cb 0.01 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 27.64 1twi h GLU 132 CO -0.11 0.81 -0.23 0.93 -1.40 0.00 0.00 179.01 179.01 1twi h GLU 133 N 1.23 0.80 -0.61 2.33 5.08 -1.61 -1.96 114.58 119.84 1twi h GLU 133 Ca 0.33 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1twi h GLU 133 Cb -0.11 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1twi h GLU 133 CO -0.07 0.95 -0.00 0.82 -1.00 0.00 0.00 179.01 179.71 1twi h ILE 134 N 0.69 1.27 -0.69 3.13 2.04 -0.60 -1.07 117.51 122.28 1twi h ILE 134 Ca 0.09 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1twi h ILE 134 Cb 0.75 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1twi h ILE 134 CO 0.06 0.42 0.45 0.40 0.00 0.00 0.00 178.15 179.49 1twi h ILE 135 N 0.98 1.18 -0.42 -0.67 2.04 -0.96 -0.25 117.51 119.41 1twi h ILE 135 Ca 0.17 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1twi h ILE 135 Cb 0.56 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1twi h ILE 135 CO 0.03 0.17 0.19 -0.03 0.00 0.00 0.00 178.15 178.52 1twi h MET 136 N 0.93 0.60 -0.39 2.37 4.05 -1.05 -0.07 114.93 121.37 1twi h MET 136 Ca 0.25 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.50 1twi h MET 136 Cb -0.10 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.57 1twi h MET 136 CO -0.05 0.53 -0.07 0.78 0.23 0.00 0.00 176.91 178.33 1twi h GLY 137 N 0.53 0.71 0.87 1.39 0.00 -0.69 -1.10 103.07 104.78 1twi h GLY 137 Ca 0.14 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 1twi h GLY 137 CO -0.02 0.45 -0.20 -2.22 0.00 0.00 0.00 176.54 174.56 1twi h ILE 138 N 0.61 1.32 -0.42 2.60 2.04 -0.71 -0.92 117.51 122.03 1twi h ILE 138 Ca 0.11 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 1twi h ILE 138 Cb 0.49 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1twi h ILE 138 CO 0.03 0.42 0.14 -0.33 0.00 0.00 0.00 178.15 178.40 1twi h GLU 139 N 0.24 0.61 -0.00 2.37 4.39 -0.90 -1.30 114.58 119.99 1twi h GLU 139 Ca 0.04 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1twi h GLU 139 Cb 0.74 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1twi h GLU 139 CO 0.05 0.53 -0.09 0.00 -1.16 0.00 0.00 179.01 178.34 1twi n ALA 140 N -2.47 2.71 -3.77 3.43 0.00 -0.43 -4.95 120.51 115.03 1twi n ALA 140 Ca 0.03 -0.23 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 1twi n ALA 140 Cb 0.17 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.27 1twi n ALA 140 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1twi n ASN 141 N -1.07 -1.51 -4.72 0.00 5.15 -0.38 -4.77 115.26 107.96 1twi n ASN 141 Ca 0.14 -0.90 -0.33 0.00 -0.60 0.00 0.00 54.58 52.89 1twi n ASN 141 Cb 0.27 -3.68 0.10 0.00 -0.53 0.00 0.00 39.78 35.94 1twi n ASN 141 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1twi s ILE 142 N -3.73 2.50 0.24 -1.44 -4.36 -1.02 -4.45 121.20 108.93 1twi s ILE 142 Ca 0.07 0.21 -0.04 0.00 -0.26 0.00 0.00 60.65 60.63 1twi s ILE 142 Cb -0.02 -2.65 0.21 0.00 1.25 0.00 0.00 42.46 41.25 1twi s ILE 142 CO 0.84 -0.16 1.78 -0.09 0.24 0.00 0.00 174.94 177.55 1twi h ARG 143 N -0.69 0.61 -1.54 0.37 2.43 -0.10 -3.44 114.38 112.02 1twi h ARG 143 Ca -0.46 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 58.78 1twi h ARG 143 Cb 1.28 -0.14 -0.23 0.00 -0.42 0.00 0.00 29.97 30.46 1twi h ARG 143 CO 0.49 0.41 0.61 0.00 -1.51 0.00 0.00 179.97 179.96 1twi s ALA 144 N -6.02 -1.95 -0.13 2.80 0.00 -1.20 -4.69 121.76 110.57 1twi s ALA 144 Ca -0.12 1.59 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 1twi s ALA 144 Cb 0.20 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1twi s ALA 144 CO 0.77 -0.34 0.44 -0.06 0.00 0.00 0.00 175.76 176.58 1twi s PHE 145 N -1.28 3.50 -0.67 0.00 0.08 -0.89 -1.00 117.98 117.73 1twi s PHE 145 Ca 0.00 0.83 -0.22 0.00 0.12 0.00 0.00 56.93 57.67 1twi s PHE 145 Cb -0.01 -2.51 0.08 0.00 -0.57 0.00 0.00 43.02 40.01 1twi s PHE 145 CO -0.01 0.18 0.93 -0.80 -0.10 0.00 0.00 175.22 175.42 1twi s ASN 146 N 0.60 6.21 0.15 1.36 0.01 1.00 -0.72 114.94 123.55 1twi s ASN 146 Ca 0.24 -1.16 -0.31 0.00 -0.71 0.00 0.00 52.86 50.92 1twi s ASN 146 Cb -0.15 -2.39 -0.09 0.00 0.41 0.00 0.00 41.25 39.03 1twi s ASN 146 CO 0.09 -1.35 1.51 -0.69 -1.51 0.00 0.00 177.10 175.14 1twi s VAL 147 N 3.70 2.83 -0.07 1.60 1.01 0.02 -4.41 120.40 125.08 1twi s VAL 147 Ca 0.21 0.60 0.21 0.00 0.00 0.00 0.00 61.98 63.00 1twi s VAL 147 Cb -0.17 -3.38 -0.30 0.00 0.00 0.00 0.00 36.38 32.52 1twi s VAL 147 CO 0.08 0.05 0.46 -0.67 0.00 0.00 0.00 175.10 175.02 1twi n ASP 148 N 3.89 0.07 -3.74 3.32 -0.08 -1.26 -0.97 116.55 117.78 1twi n ASP 148 Ca 0.13 0.03 -0.10 0.00 -1.51 0.00 0.00 54.79 53.34 1twi n ASP 148 Cb 0.40 1.71 -0.04 0.00 2.34 0.00 0.00 41.12 45.53 1twi n ASP 148 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1twi s SER 149 N -4.75 -0.24 0.29 1.67 1.04 -1.26 -3.57 113.70 106.88 1twi s SER 149 Ca -0.08 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.89 1twi s SER 149 Cb 0.12 0.55 0.43 0.00 0.10 0.00 0.00 66.02 67.22 1twi s SER 149 CO 0.89 -1.01 1.74 0.40 0.98 0.00 0.00 173.24 176.23 1twi h ILE 150 N 2.24 1.26 -0.40 -1.02 2.04 -1.96 -1.65 117.51 118.02 1twi h ILE 150 Ca -0.30 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.41 1twi h ILE 150 Cb 1.26 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 1twi h ILE 150 CO 0.39 0.38 0.15 -1.28 0.00 0.00 0.00 178.15 177.80 1twi h SER 151 N 0.45 0.18 -0.43 1.72 0.87 -1.99 -0.01 113.55 114.33 1twi h SER 151 Ca 0.07 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1twi h SER 151 Cb 0.62 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1twi h SER 151 CO 0.04 0.14 0.23 -0.08 -0.53 0.00 0.00 176.83 176.63 1twi h GLU 152 N 0.32 0.61 -0.45 2.24 4.81 -1.87 -1.35 114.58 118.89 1twi h GLU 152 Ca 0.18 -0.08 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1twi h GLU 152 Cb 0.15 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1twi h GLU 152 CO -0.17 0.51 0.10 1.25 -0.73 0.00 0.00 179.01 179.97 1twi h LEU 153 N 0.56 0.04 -0.50 1.64 5.85 -0.35 0.15 115.31 122.70 1twi h LEU 153 Ca 0.15 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1twi h LEU 153 Cb 0.08 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1twi h LEU 153 CO -0.02 0.05 0.32 0.40 -0.34 0.00 0.00 178.44 178.85 1twi h ILE 154 N 0.24 1.09 -0.65 4.05 2.04 -0.78 -0.76 117.51 122.75 1twi h ILE 154 Ca 0.22 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 1twi h ILE 154 Cb 0.27 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1twi h ILE 154 CO -0.27 0.12 0.13 0.25 0.00 0.00 0.00 178.15 178.37 1twi h LEU 155 N 0.64 0.99 -0.40 1.44 5.85 -0.52 -0.40 115.31 122.92 1twi h LEU 155 Ca 0.19 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1twi h LEU 155 Cb -0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1twi h LEU 155 CO -0.06 0.97 0.02 0.40 -0.34 0.00 0.00 178.44 179.43 1twi h ILE 156 N 0.99 1.26 -0.58 4.05 2.04 -0.27 0.32 117.51 125.32 1twi h ILE 156 Ca 0.20 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1twi h ILE 156 Cb 0.39 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1twi h ILE 156 CO 0.01 0.33 0.11 -1.13 0.00 0.00 0.00 178.15 177.46 1twi h ASN 157 N 0.52 0.90 -0.69 1.72 -0.73 -0.85 0.11 115.58 116.56 1twi h ASN 157 Ca 0.11 -0.25 -0.07 0.00 1.87 0.00 0.00 56.30 57.96 1twi h ASN 157 Cb 0.45 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 1twi h ASN 157 CO 0.02 0.93 0.16 -0.33 -0.37 0.00 0.00 177.43 177.83 1twi h GLU 158 N 0.84 1.12 -0.31 6.67 5.08 -0.92 -0.55 114.58 126.51 1twi h GLU 158 Ca 0.18 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 1twi h GLU 158 Cb 0.40 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1twi h GLU 158 CO 0.01 0.99 -0.27 1.15 -1.00 0.00 0.00 179.01 179.89 1twi h THR 159 N 1.05 1.30 -0.68 1.13 2.02 -0.65 -1.16 112.91 115.91 1twi h THR 159 Ca 0.22 -1.43 0.01 0.00 0.77 0.00 0.00 66.41 65.98 1twi h THR 159 Cb 0.38 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 1twi h THR 159 CO 0.00 0.46 0.45 0.00 0.37 0.00 0.00 175.52 176.80 1twi h ALA 160 N 0.73 0.87 -0.61 6.16 0.00 -0.71 -1.01 119.26 124.68 1twi h ALA 160 Ca 0.05 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1twi h ALA 160 Cb 0.84 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1twi h ALA 160 CO 0.07 0.27 0.39 -0.22 0.00 0.00 0.00 179.25 179.75 1twi h LYS 161 N 0.90 0.76 -0.86 0.00 3.64 -0.86 -1.15 116.57 119.01 1twi h LYS 161 Ca 0.26 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1twi h LYS 161 Cb -0.08 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.53 1twi h LYS 161 CO -0.07 0.50 0.49 0.93 -2.27 0.00 0.00 179.45 179.04 1twi h GLU 162 N 0.78 1.19 -0.00 1.90 5.08 -0.36 -2.00 114.58 121.17 1twi h GLU 162 Ca 0.24 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1twi h GLU 162 Cb -0.03 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.97 1twi h GLU 162 CO -0.08 0.86 -0.05 1.28 -1.00 0.00 0.00 179.01 180.02 1twi n LEU 163 N -4.35 0.42 -1.86 1.33 4.77 -0.47 -4.92 117.00 111.93 1twi n LEU 163 Ca 0.09 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 1twi n LEU 163 Cb 0.09 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1twi n LEU 163 CO 0.38 0.07 -0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1twi n GLY 164 N 1.20 -0.02 3.52 -0.72 0.00 -0.54 -5.02 105.19 103.61 1twi n GLY 164 Ca 0.17 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1twi n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1twi s GLU 165 N -5.21 1.94 -0.17 1.61 0.41 -0.57 -5.05 118.70 111.66 1twi s GLU 165 Ca 0.18 -2.19 0.01 0.00 -0.41 0.00 0.00 54.97 52.56 1twi s GLU 165 Cb -0.08 -0.63 0.03 0.00 -1.78 0.00 0.00 34.13 31.67 1twi s GLU 165 CO 0.22 -0.48 -0.14 0.99 -0.49 0.00 0.00 175.26 175.36 1twi s THR 166 N -3.19 1.69 0.20 3.63 2.01 -1.26 -4.34 115.64 114.37 1twi s THR 166 Ca 0.23 -0.83 -0.22 0.00 0.31 0.00 0.00 61.69 61.18 1twi s THR 166 Cb 0.02 -1.64 -0.08 0.00 0.01 0.00 0.00 72.50 70.82 1twi s THR 166 CO 0.14 0.36 0.74 0.00 -0.69 0.00 0.00 174.62 175.18 1twi s ALA 167 N 1.42 3.43 -0.08 7.40 0.00 -0.42 -4.86 121.76 128.64 1twi s ALA 167 Ca 0.03 0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 1twi s ALA 167 Cb -0.14 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1twi s ALA 167 CO -0.10 0.31 0.77 -0.80 0.00 0.00 0.00 175.76 175.94 1twi s ASN 168 N -1.44 7.03 -0.06 0.00 0.01 -1.26 -0.64 114.94 118.58 1twi s ASN 168 Ca 0.40 1.24 0.04 0.00 -0.71 0.00 0.00 52.86 53.82 1twi s ASN 168 Cb -0.19 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1twi s ASN 168 CO 0.23 -0.20 -0.16 0.68 -1.51 0.00 0.00 177.10 176.13 1twi s VAL 169 N 1.17 1.40 0.39 1.60 -7.23 0.72 -2.09 120.40 116.35 1twi s VAL 169 Ca 0.39 -0.67 0.08 0.00 -1.81 0.00 0.00 61.98 59.97 1twi s VAL 169 Cb -0.18 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 1twi s VAL 169 CO 0.18 0.41 0.21 0.00 -0.31 0.00 0.00 175.10 175.59 1twi s ALA 170 N 0.29 3.65 -0.09 1.32 0.00 0.10 -0.59 121.76 126.44 1twi s ALA 170 Ca -0.09 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 49.92 1twi s ALA 170 Cb -0.14 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1twi s ALA 170 CO 0.04 -0.11 -0.12 -0.06 0.00 0.00 0.00 175.76 175.51 1twi s PHE 171 N -2.51 1.60 -0.32 0.00 0.40 -0.51 -0.80 117.98 115.83 1twi s PHE 171 Ca 0.41 -0.67 -0.26 0.00 -0.60 0.00 0.00 56.93 55.81 1twi s PHE 171 Cb 0.00 -1.19 0.01 0.00 0.51 0.00 0.00 43.02 42.35 1twi s PHE 171 CO 0.24 -0.37 0.90 0.50 0.70 0.00 0.00 175.22 177.19 1twi s ARG 172 N 0.94 3.97 0.20 0.44 3.52 -0.14 -0.10 118.95 127.78 1twi s ARG 172 Ca -0.09 0.73 0.08 0.00 -0.13 0.00 0.00 55.73 56.32 1twi s ARG 172 Cb -0.15 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 1twi s ARG 172 CO 0.00 -0.80 0.02 0.96 -0.81 0.00 0.00 175.30 174.68 1twi s ILE 173 N 3.26 3.74 -0.54 4.11 -4.36 0.33 -0.79 121.20 126.95 1twi s ILE 173 Ca 0.37 -1.54 -0.02 0.00 -0.26 0.00 0.00 60.65 59.20 1twi s ILE 173 Cb -0.13 -2.93 0.14 0.00 1.25 0.00 0.00 42.46 40.79 1twi s ILE 173 CO 0.14 -0.20 0.35 0.20 0.24 0.00 0.00 174.94 175.67 1twi s ASN 174 N -3.22 5.18 0.92 4.36 0.01 -0.18 -4.58 114.94 117.44 1twi s ASN 174 Ca 0.29 -2.58 -0.11 0.00 -0.71 0.00 0.00 52.86 49.75 1twi s ASN 174 Cb -0.08 -1.83 0.15 0.00 0.41 0.00 0.00 41.25 39.89 1twi s ASN 174 CO 0.20 -0.42 1.11 -2.16 -1.51 0.00 0.00 177.10 174.32 1twi s PRO 175 N 0.34 0.98 -1.44 -0.60 0.04 -1.26 -2.04 135.00 131.02 1twi s PRO 175 Ca 0.14 1.27 -0.10 0.00 0.04 0.00 0.00 61.00 62.35 1twi s PRO 175 Cb -0.21 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1twi s PRO 175 CO -0.04 -2.57 2.38 -1.71 0.04 0.00 0.00 177.00 175.11 1twi n ASN 176 N -4.16 6.27 -4.74 6.66 4.05 -1.26 -4.89 115.26 117.18 1twi n ASN 176 Ca 0.09 -2.89 -0.42 0.00 0.45 0.00 0.00 54.58 51.82 1twi n ASN 176 Cb 0.53 -1.53 -0.01 0.00 1.23 0.00 0.00 39.78 40.00 1twi n ASN 176 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1twi n VAL 177 N 3.64 1.44 -1.72 3.44 0.31 -1.26 -4.89 118.33 119.29 1twi n VAL 177 Ca 0.58 -0.36 -0.43 0.00 -0.01 0.00 0.00 64.34 64.13 1twi n VAL 177 Cb 0.31 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.34 1twi n VAL 177 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1twi s ASN 178 N 0.18 5.73 0.47 4.52 3.84 -1.26 -4.84 114.94 123.58 1twi s ASN 178 Ca 0.60 1.88 0.31 0.00 0.21 0.00 0.00 52.86 55.86 1twi s ASN 178 Cb -0.51 -2.52 1.39 0.00 -0.55 0.00 0.00 41.25 39.07 1twi s ASN 178 CO 0.55 -1.74 1.94 1.55 -2.79 0.00 0.00 177.10 176.61 1twi h PRO 179 N 13.76 0.00 0.15 0.43 0.13 -1.90 0.28 132.00 144.84 1twi h PRO 179 Ca -0.40 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.49 1twi h PRO 179 Cb 1.22 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.38 1twi h PRO 179 CO 0.97 0.00 -1.01 0.87 -0.23 0.00 0.00 178.00 178.60 1twi h LYS 180 N 0.00 0.42 0.00 0.86 1.79 -1.97 -2.93 116.57 114.74 1twi h LYS 180 Ca 0.00 -0.65 -0.26 0.00 -2.18 0.00 0.00 60.65 57.56 1twi h LYS 180 Cb 0.36 0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 31.20 1twi h LYS 180 CO 0.00 1.30 -1.42 1.79 -1.08 0.00 0.00 179.45 180.03 1twi h THR 181 N -0.12 1.20 -2.04 -0.16 1.35 -1.90 -3.40 112.91 107.84 1twi h THR 181 Ca -0.17 -3.00 -0.56 0.00 -0.55 0.00 0.00 66.41 62.13 1twi h THR 181 Cb 1.77 2.59 -0.40 0.00 -1.73 0.00 0.00 68.15 70.38 1twi h THR 181 CO 0.19 0.68 -1.01 1.41 -0.25 0.00 0.00 175.52 176.55 1twi n HIS 182 N -3.17 0.56 -0.35 4.73 8.25 0.96 -4.97 115.22 121.23 1twi n HIS 182 Ca -0.10 -3.71 -0.03 0.00 -0.26 0.00 0.00 57.72 53.62 1twi n HIS 182 Cb 1.01 -0.40 0.09 0.00 1.12 0.00 0.00 29.99 31.81 1twi n HIS 182 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1twi h PRO 183 N 3.92 1.26 -0.33 -0.41 0.13 -1.70 -1.93 132.00 132.93 1twi h PRO 183 Ca 0.10 -0.11 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 1twi h PRO 183 Cb 0.84 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1twi h PRO 183 CO 0.54 0.88 -0.26 0.87 -0.23 0.00 0.00 178.00 179.80 1twi h LYS 184 N 1.28 0.68 -0.31 0.86 1.57 -1.93 -0.33 116.57 118.39 1twi h LYS 184 Ca 0.33 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1twi h LYS 184 Cb -0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1twi h LYS 184 CO -0.06 0.87 -0.10 0.82 -0.57 0.00 0.00 179.45 180.41 1twi h ILE 185 N 0.59 1.28 -0.40 1.86 1.08 -1.88 -2.36 117.51 117.68 1twi h ILE 185 Ca 0.08 -1.15 -0.00 0.00 -0.39 0.00 0.00 64.86 63.39 1twi h ILE 185 Cb 0.75 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 1twi h ILE 185 CO 0.06 0.37 0.24 -1.28 -0.69 0.00 0.00 178.15 176.85 1twi h SER 186 N 0.37 0.47 -0.74 1.72 0.87 -1.18 -0.91 113.55 114.15 1twi h SER 186 Ca 0.07 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1twi h SER 186 Cb 0.59 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1twi h SER 186 CO 0.03 0.38 0.34 0.74 -0.53 0.00 0.00 176.83 177.80 1twi h THR 187 N 0.52 1.24 -0.12 2.23 2.02 -1.01 -1.74 112.91 116.06 1twi h THR 187 Ca 0.14 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1twi h THR 187 Cb -0.01 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1twi h THR 187 CO -0.03 0.30 0.04 1.23 0.37 0.00 0.00 175.52 177.43 1twi h GLY 188 N 1.12 0.19 1.93 2.16 0.00 -0.98 0.53 103.07 108.03 1twi h GLY 188 Ca 0.26 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1twi h GLY 188 CO -0.03 0.10 -0.08 1.41 0.00 0.00 0.00 176.54 177.94 1twi h LEU 189 N 0.02 0.08 0.04 3.11 3.38 -0.83 -1.87 115.31 119.24 1twi h LEU 189 Ca 0.04 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.69 1twi h LEU 189 Cb 0.20 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1twi h LEU 189 CO -0.00 0.18 -1.73 0.11 0.09 0.00 0.00 178.44 177.09 1twi h LYS 190 N 0.08 0.09 0.00 1.13 1.57 -1.07 -3.39 116.57 114.98 1twi h LYS 190 Ca 0.02 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1twi h LYS 190 Cb 0.20 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1twi h LYS 190 CO 0.01 0.75 -1.23 1.63 -0.57 0.00 0.00 179.45 180.05 1twi n LYS 191 N -3.20 0.23 -2.27 3.15 5.02 0.16 -4.98 118.16 116.26 1twi n LYS 191 Ca -0.20 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 55.79 1twi n LYS 191 Cb 1.04 -1.53 0.10 0.00 -0.02 0.00 0.00 35.03 34.62 1twi n LYS 191 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1twi s ASN 192 N -3.59 4.43 0.04 4.39 0.02 -0.71 -4.97 114.94 114.55 1twi s ASN 192 Ca 0.03 0.19 0.28 0.00 -1.02 0.00 0.00 52.86 52.34 1twi s ASN 192 Cb 0.15 -0.69 1.13 0.00 0.02 0.00 0.00 41.25 41.86 1twi s ASN 192 CO 0.86 -1.83 1.88 2.29 0.02 0.00 0.00 177.10 180.31 1twi n LYS 193 N -3.01 0.05 -2.98 -0.60 2.85 -1.26 -4.92 118.16 108.29 1twi n LYS 193 Ca 0.11 0.06 -0.26 0.00 -1.05 0.00 0.00 58.31 57.17 1twi n LYS 193 Cb 0.60 -1.56 -0.01 0.00 -0.65 0.00 0.00 35.03 33.41 1twi n LYS 193 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1twi s PHE 194 N -3.02 3.53 0.17 5.58 0.08 -1.26 -5.02 117.98 118.04 1twi s PHE 194 Ca 0.13 0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.79 1twi s PHE 194 Cb 0.17 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.50 1twi s PHE 194 CO 0.53 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.97 1twi n GLY 195 N -2.00 -2.09 3.35 4.36 0.00 -1.23 -4.89 105.19 102.68 1twi n GLY 195 Ca -0.02 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 1twi n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1twi s LEU 196 N -5.51 4.07 0.17 0.99 1.43 0.03 -4.80 118.68 115.05 1twi s LEU 196 Ca 0.00 -0.80 -0.32 0.00 -1.03 0.00 0.00 54.13 51.98 1twi s LEU 196 Cb 0.00 -1.91 -0.11 0.00 0.03 0.00 0.00 46.19 44.20 1twi s LEU 196 CO 0.00 -0.24 1.78 -0.62 0.23 0.00 0.00 176.35 177.50 1twi s ASP 197 N 1.50 6.39 -0.11 2.29 -1.08 -1.26 -1.01 116.67 123.39 1twi s ASP 197 Ca 0.02 2.82 -0.27 0.00 -0.52 0.00 0.00 52.55 54.60 1twi s ASP 197 Cb -0.18 -2.58 -0.27 0.00 -1.46 0.00 0.00 42.92 38.42 1twi s ASP 197 CO 0.03 -0.99 0.82 0.58 0.52 0.00 0.00 175.17 176.13 1twi h VAL 198 N 4.24 1.71 -0.67 1.11 2.07 -1.76 0.12 116.25 123.08 1twi h VAL 198 Ca -0.45 -2.38 0.05 0.00 0.82 0.00 0.00 66.70 64.74 1twi h VAL 198 Cb 1.21 3.32 -0.05 0.00 -1.52 0.00 0.00 31.29 34.25 1twi h VAL 198 CO 0.95 0.64 0.39 -0.08 0.02 0.00 0.00 177.57 179.49 1twi h GLU 199 N -0.80 0.72 0.00 1.57 4.81 -1.92 -0.94 114.58 118.02 1twi h GLU 199 Ca -0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1twi h GLU 199 Cb 1.18 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1twi h GLU 199 CO 0.04 0.48 0.00 -1.13 -0.73 0.00 0.00 179.01 177.67 1twi n SER 200 N -4.74 0.00 0.00 1.04 3.41 -1.26 -4.89 113.62 107.18 1twi n SER 200 Ca 0.08 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1twi n SER 200 Cb 0.13 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1twi n SER 200 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1twi n GLY 201 N 0.45 0.73 0.17 5.00 0.00 -0.36 -4.97 105.19 106.22 1twi n GLY 201 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 1twi n GLY 201 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1twi h ILE 202 N 0.00 1.20 -0.73 -0.61 2.04 -1.66 -1.14 117.51 116.61 1twi h ILE 202 Ca 0.00 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1twi h ILE 202 Cb 0.00 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1twi h ILE 202 CO 0.00 0.21 0.37 0.00 0.00 0.00 0.00 178.15 178.74 1twi h ALA 203 N 0.97 0.94 -0.60 1.87 0.00 -0.97 -0.50 119.26 120.96 1twi h ALA 203 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1twi h ALA 203 Cb 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1twi h ALA 203 CO -0.01 0.48 0.07 1.98 0.00 0.00 0.00 179.25 181.77 1twi h MET 204 N 1.02 1.02 -0.59 0.00 1.85 -1.80 -1.87 114.93 114.56 1twi h MET 204 Ca 0.25 -0.29 0.01 0.00 -0.61 0.00 0.00 59.70 59.06 1twi h MET 204 Cb 0.08 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.97 1twi h MET 204 CO -0.04 0.98 0.38 -0.22 -0.40 0.00 0.00 176.91 177.61 1twi h LYS 205 N 0.93 0.75 -0.37 0.39 3.64 -0.73 -0.50 116.57 120.67 1twi h LYS 205 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1twi h LYS 205 Cb 0.47 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1twi h LYS 205 CO 0.02 0.49 0.17 0.00 -2.27 0.00 0.00 179.45 177.87 1twi h ALA 206 N 1.23 0.47 -0.38 5.00 0.00 -0.88 -0.15 119.26 124.55 1twi h ALA 206 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1twi h ALA 206 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1twi h ALA 206 CO -0.06 0.04 -0.24 0.82 0.00 0.00 0.00 179.25 179.81 1twi h ILE 207 N 0.45 1.27 -0.29 0.00 2.04 -1.16 -0.33 117.51 119.50 1twi h ILE 207 Ca 0.13 -1.35 -0.11 0.00 1.00 0.00 0.00 64.86 64.52 1twi h ILE 207 Cb 0.12 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1twi h ILE 207 CO -0.02 0.45 -0.29 0.11 0.00 0.00 0.00 178.15 178.41 1twi h LYS 208 N 0.67 0.58 -0.41 2.37 1.57 -0.84 -1.67 116.57 118.84 1twi h LYS 208 Ca 0.09 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1twi h LYS 208 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1twi h LYS 208 CO 0.06 0.81 0.26 0.52 -0.57 0.00 0.00 179.45 180.53 1twi h MET 209 N 0.50 0.54 -0.44 3.15 2.86 -0.72 -2.63 114.93 118.20 1twi h MET 209 Ca 0.06 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1twi h MET 209 Cb 0.75 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1twi h MET 209 CO 0.06 0.38 0.17 0.00 1.06 0.00 0.00 176.91 178.58 1twi h ALA 210 N 1.13 1.47 0.00 6.32 0.00 -0.68 -1.71 119.26 125.78 1twi h ALA 210 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1twi h ALA 210 Cb -0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1twi h ALA 210 CO -0.03 0.40 -0.15 -0.07 0.00 0.00 0.00 179.25 179.41 1twi h LEU 211 N 0.62 0.00 0.00 0.00 3.38 -0.95 -2.18 115.31 116.18 1twi h LEU 211 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1twi h LEU 211 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1twi h LEU 211 CO -0.01 0.15 -0.60 -0.33 0.09 0.00 0.00 178.44 177.74 1twi h GLU 212 N 0.00 0.00 -7.06 1.13 4.39 -1.14 -3.46 114.58 108.44 1twi h GLU 212 Ca -0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 1twi h GLU 212 Cb 0.50 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.18 1twi h GLU 212 CO 0.02 0.00 0.40 -1.64 -1.16 0.00 0.00 179.01 176.63 1twi s MET 213 N -3.27 3.76 0.05 2.33 -1.94 -0.80 -4.96 119.30 114.47 1twi s MET 213 Ca 0.04 1.44 0.23 0.00 -1.71 0.00 0.00 55.69 55.69 1twi s MET 213 Cb 0.09 -2.14 0.19 0.00 2.01 0.00 0.00 34.83 34.98 1twi s MET 213 CO 0.73 -0.48 1.16 0.39 -0.01 0.00 0.00 175.02 176.81 1twi n GLU 214 N -0.91 0.22 -0.36 2.03 1.02 -1.26 -4.37 120.64 117.01 1twi n GLU 214 Ca 0.09 0.02 0.09 0.00 -0.02 0.00 0.00 57.16 57.33 1twi n GLU 214 Cb 0.52 -1.59 0.23 0.00 -0.02 0.00 0.00 31.44 30.57 1twi n GLU 214 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1twi n TYR 215 N -1.89 0.71 -4.17 -0.32 4.02 -1.26 -4.99 117.16 109.26 1twi n TYR 215 Ca 0.03 -0.94 -0.13 0.00 -0.01 0.00 0.00 57.90 56.85 1twi n TYR 215 Cb 0.41 -0.28 -0.11 0.00 -0.02 0.00 0.00 39.34 39.35 1twi n TYR 215 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1twi s VAL 216 N -2.86 0.88 -0.18 -0.72 -7.23 -1.26 -1.31 120.40 107.72 1twi s VAL 216 Ca 0.40 -1.71 -0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1twi s VAL 216 Cb 0.33 -1.42 0.04 0.00 0.56 0.00 0.00 36.38 35.89 1twi s VAL 216 CO 0.07 -0.64 -0.05 0.21 -0.31 0.00 0.00 175.10 174.39 1twi s ASN 217 N -2.59 2.96 -0.22 4.85 3.04 0.19 -4.88 114.94 118.29 1twi s ASN 217 Ca 0.07 -0.73 -0.29 0.00 0.04 0.00 0.00 52.86 51.94 1twi s ASN 217 Cb -0.01 -0.93 -0.02 0.00 -1.54 0.00 0.00 41.25 38.75 1twi s ASN 217 CO -0.01 -0.20 1.51 -0.69 -3.04 0.00 0.00 177.10 174.67 1twi s VAL 218 N 1.62 3.85 0.00 -5.21 1.01 -1.26 -0.20 120.40 120.21 1twi s VAL 218 Ca -0.00 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1twi s VAL 218 Cb -0.16 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1twi s VAL 218 CO -0.08 -0.30 0.17 1.33 0.00 0.00 0.00 175.10 176.23 1twi n VAL 219 N 6.16 0.00 -0.43 2.92 0.24 0.24 -4.83 118.33 122.63 1twi n VAL 219 Ca 0.17 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1twi n VAL 219 Cb 0.45 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 1twi n VAL 219 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1twi n GLY 220 N 0.49 -1.38 3.25 7.63 0.00 -1.25 -1.05 105.19 112.89 1twi n GLY 220 Ca 0.00 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 1twi n GLY 220 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1twi s VAL 221 N -2.14 1.48 0.06 1.61 -7.23 -0.76 -1.43 120.40 112.00 1twi s VAL 221 Ca 0.00 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1twi s VAL 221 Cb 0.00 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 1twi s VAL 221 CO 0.00 -0.24 -0.08 -2.28 -0.31 0.00 0.00 175.10 172.19 1twi s HIS 222 N -1.59 0.81 -0.22 2.82 5.04 0.85 -1.27 115.29 121.74 1twi s HIS 222 Ca 0.06 -0.62 -0.21 0.00 -1.54 0.00 0.00 55.06 52.76 1twi s HIS 222 Cb -0.08 -0.47 0.06 0.00 0.04 0.00 0.00 32.58 32.13 1twi s HIS 222 CO 0.04 -0.08 0.59 0.00 -2.34 0.00 0.00 174.74 172.95 1twi s HIS 224 N 0.26 -0.09 -0.91 0.00 5.04 -1.26 -1.48 115.29 116.85 1twi s HIS 224 Ca -0.00 0.46 0.17 0.00 -1.54 0.00 0.00 55.06 54.15 1twi s HIS 224 Cb -0.04 -0.31 -0.16 0.00 0.04 0.00 0.00 32.58 32.12 1twi s HIS 224 CO 0.01 -0.22 0.74 0.44 -2.34 0.00 0.00 174.74 173.37 1twi n ILE 225 N 5.13 0.00 -3.91 0.89 -5.35 -1.26 -5.03 119.36 109.82 1twi n ILE 225 Ca -0.08 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1twi n ILE 225 Cb 0.50 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 1twi n ILE 225 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1twi n GLY 226 N 1.37 -1.26 3.16 3.28 0.00 -1.26 -4.91 105.19 105.57 1twi n GLY 226 Ca 0.04 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1twi n GLY 226 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1twi s SER 227 N -4.00 0.08 -1.28 1.61 0.15 -1.26 -3.92 113.70 105.07 1twi s SER 227 Ca 0.00 -0.43 -0.04 0.00 0.70 0.00 0.00 55.95 56.19 1twi s SER 227 Cb 0.00 0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1twi s SER 227 CO 0.00 -0.55 0.69 1.67 1.20 0.00 0.00 173.24 176.24 1twi n GLN 228 N 0.68 -3.91 -3.43 5.44 -0.06 -1.04 -4.95 117.38 110.11 1twi n GLN 228 Ca -0.19 0.58 -0.41 0.00 -2.00 0.00 0.00 57.00 54.99 1twi n GLN 228 Cb 0.59 -4.96 -0.10 0.00 -4.06 0.00 0.00 30.24 21.72 1twi n GLN 228 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1twi s LEU 229 N -6.60 4.44 -0.44 1.69 1.43 -0.68 -4.68 118.68 113.84 1twi s LEU 229 Ca 0.11 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1twi s LEU 229 Cb -0.03 -2.29 0.50 0.00 0.03 0.00 0.00 46.19 44.39 1twi s LEU 229 CO 0.83 -0.31 1.65 0.35 0.23 0.00 0.00 176.35 179.10 1twi n THR 230 N 5.21 3.01 -3.83 5.49 -2.24 -1.26 -0.44 114.28 120.21 1twi n THR 230 Ca -0.10 -3.08 -0.13 0.00 -2.27 0.00 0.00 64.05 58.47 1twi n THR 230 Cb 0.49 -0.84 -0.15 0.00 -2.10 0.00 0.00 70.33 67.74 1twi n THR 230 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1twi s ASP 231 N -2.40 0.01 0.36 3.42 -1.08 -1.26 -4.48 116.67 111.23 1twi s ASP 231 Ca 0.55 0.04 0.25 0.00 -0.52 0.00 0.00 52.55 52.87 1twi s ASP 231 Cb 0.45 0.00 0.68 0.00 -1.46 0.00 0.00 42.92 42.60 1twi s ASP 231 CO 0.02 -0.05 1.72 0.40 0.52 0.00 0.00 175.17 177.78 1twi h ILE 232 N 5.52 0.00 -0.26 4.11 1.08 -1.97 -3.37 117.51 122.62 1twi h ILE 232 Ca -0.32 -0.70 0.06 0.00 -0.39 0.00 0.00 64.86 63.51 1twi h ILE 232 Cb 1.18 1.67 -0.06 0.00 -3.07 0.00 0.00 36.82 36.55 1twi h ILE 232 CO 0.49 0.00 -0.11 -1.28 -0.69 0.00 0.00 178.15 176.57 1twi h SER 233 N 0.00 -0.36 -0.81 1.72 0.87 -2.00 -1.84 113.55 111.14 1twi h SER 233 Ca 0.00 0.09 0.08 0.00 -1.23 0.00 0.00 61.79 60.74 1twi h SER 233 Cb 0.80 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.91 1twi h SER 233 CO 0.00 -0.14 0.53 -0.65 -0.53 0.00 0.00 176.83 176.04 1twi h PRO 234 N -0.06 0.78 -0.37 2.24 0.11 -1.98 -1.16 132.00 131.56 1twi h PRO 234 Ca 0.13 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.11 1twi h PRO 234 Cb 0.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1twi h PRO 234 CO -0.30 0.52 -0.12 0.74 -0.21 0.00 0.00 178.00 178.63 1twi h PHE 235 N 0.81 0.83 -0.27 0.65 0.04 -1.62 0.10 116.94 117.49 1twi h PHE 235 Ca 0.36 -0.19 0.01 0.00 2.80 0.00 0.00 57.97 60.95 1twi h PHE 235 Cb 0.35 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1twi h PHE 235 CO -0.00 0.90 0.17 0.82 -0.60 0.00 0.00 178.31 179.59 1twi h ILE 236 N 0.53 1.05 -0.66 -0.55 2.04 -0.65 0.46 117.51 119.73 1twi h ILE 236 Ca 0.09 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1twi h ILE 236 Cb 0.65 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1twi h ILE 236 CO 0.04 0.06 0.25 -0.08 0.00 0.00 0.00 178.15 178.42 1twi h GLU 237 N 0.35 1.00 -0.46 2.37 4.57 -1.07 0.01 114.58 121.35 1twi h GLU 237 Ca 0.10 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1twi h GLU 237 Cb -0.02 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.37 1twi h GLU 237 CO -0.03 0.84 0.24 1.49 -1.18 0.00 0.00 179.01 180.37 1twi h GLU 238 N 0.94 0.47 -0.59 1.92 4.81 -0.61 -1.34 114.58 120.18 1twi h GLU 238 Ca 0.22 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1twi h GLU 238 Cb 0.23 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1twi h GLU 238 CO -0.01 0.31 0.14 1.15 -0.73 0.00 0.00 179.01 179.86 1twi h THR 239 N 0.49 1.25 -0.27 0.32 2.02 -0.08 -0.43 112.91 116.21 1twi h THR 239 Ca 0.19 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1twi h THR 239 Cb 0.07 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1twi h THR 239 CO -0.12 0.34 0.15 0.03 0.37 0.00 0.00 175.52 176.29 1twi h ARG 240 N 0.85 0.37 0.00 6.66 3.08 -0.86 -0.69 114.38 123.79 1twi h ARG 240 Ca 0.18 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 1twi h ARG 240 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1twi h ARG 240 CO 0.00 0.32 -0.54 0.87 -1.07 0.00 0.00 179.97 179.56 1twi h LYS 241 N 0.33 0.00 -0.11 0.04 1.79 -0.90 0.61 116.57 118.31 1twi h LYS 241 Ca 0.10 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1twi h LYS 241 Cb 0.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1twi h LYS 241 CO -0.02 0.54 -0.18 0.28 -1.08 0.00 0.00 179.45 178.99 1twi h VAL 242 N 0.00 1.38 -0.43 0.50 2.07 -0.99 -2.29 116.25 116.48 1twi h VAL 242 Ca -0.01 -1.43 -0.07 0.00 0.82 0.00 0.00 66.70 66.02 1twi h VAL 242 Cb 1.07 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 1twi h VAL 242 CO 0.07 0.41 -0.02 0.24 0.02 0.00 0.00 177.57 178.29 1twi h MET 243 N -0.09 0.70 -0.80 1.57 2.86 -0.95 -1.06 114.93 117.17 1twi h MET 243 Ca 0.01 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1twi h MET 243 Cb 0.75 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.28 1twi h MET 243 CO 0.04 0.73 0.52 -0.44 1.06 0.00 0.00 176.91 178.83 1twi h ASP 244 N 0.66 0.81 0.17 1.22 3.32 -0.82 -0.09 116.42 121.69 1twi h ASP 244 Ca 0.13 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 1twi h ASP 244 Cb 0.44 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1twi h ASP 244 CO 0.02 0.54 -0.53 0.15 -1.72 0.00 0.00 179.24 177.71 1twi h PHE 245 N 0.94 0.48 -0.53 4.55 3.57 -0.65 -0.94 116.94 124.36 1twi h PHE 245 Ca 0.33 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1twi h PHE 245 Cb 0.12 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1twi h PHE 245 CO -0.00 0.83 0.16 0.28 -2.23 0.00 0.00 178.31 177.36 1twi h VAL 246 N 0.30 1.21 -0.12 1.41 2.07 -0.09 0.49 116.25 121.53 1twi h VAL 246 Ca 0.01 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1twi h VAL 246 Cb 1.03 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1twi h VAL 246 CO 0.09 0.28 0.01 0.58 0.02 0.00 0.00 177.57 178.54 1twi h VAL 247 N 0.78 1.24 -0.95 2.57 2.07 -0.68 -1.08 116.25 120.20 1twi h VAL 247 Ca 0.18 -0.75 0.13 0.00 0.82 0.00 0.00 66.70 67.08 1twi h VAL 247 Cb 0.23 1.51 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 1twi h VAL 247 CO -0.01 0.22 0.57 -0.08 0.02 0.00 0.00 177.57 178.29 1twi h GLU 248 N -0.05 0.83 -0.50 1.57 4.81 -0.62 -0.98 114.58 119.64 1twi h GLU 248 Ca 0.03 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1twi h GLU 248 Cb 0.33 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1twi h GLU 248 CO 0.00 0.55 0.09 -0.07 -0.73 0.00 0.00 179.01 178.85 1twi h LEU 249 N 0.85 0.79 -1.20 1.64 3.38 -0.65 -2.83 115.31 117.29 1twi h LEU 249 Ca 0.49 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1twi h LEU 249 Cb 0.57 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1twi h LEU 249 CO -0.30 0.84 0.46 0.50 0.09 0.00 0.00 178.44 180.03 1twi h LYS 250 N 0.70 1.00 0.00 1.13 1.63 -0.09 0.85 116.57 121.80 1twi h LYS 250 Ca 0.15 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1twi h LYS 250 Cb 0.38 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1twi h LYS 250 CO 0.01 0.69 -0.07 0.93 -3.45 0.00 0.00 179.45 177.56 1twi h GLU 251 N 1.02 0.00 -0.36 1.90 5.08 -0.99 0.31 114.58 121.54 1twi h GLU 251 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1twi h GLU 251 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1twi h GLU 251 CO -0.05 0.07 0.00 0.39 -1.00 0.00 0.00 179.01 178.41 1twi n GLU 252 N -4.12 1.79 -1.01 2.33 -0.58 0.13 -4.89 120.64 114.28 1twi n GLU 252 Ca -0.03 -1.09 -0.00 0.00 -0.42 0.00 0.00 57.16 55.62 1twi n GLU 252 Cb 0.15 -1.30 -0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1twi n GLU 252 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1twi n GLY 253 N 0.89 0.46 3.53 0.62 0.00 0.10 -5.03 105.19 105.76 1twi n GLY 253 Ca 0.10 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1twi n GLY 253 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1twi s ILE 254 N -1.99 4.46 -0.05 -0.61 1.01 -0.24 -4.97 121.20 118.79 1twi s ILE 254 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 1twi s ILE 254 Cb 0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1twi s ILE 254 CO 0.00 0.41 0.09 -1.61 0.00 0.00 0.00 174.94 173.83 1twi s GLU 255 N 0.91 3.18 -0.22 2.79 2.02 -1.26 -2.61 118.70 123.51 1twi s GLU 255 Ca 0.03 -0.36 -0.04 0.00 0.02 0.00 0.00 54.97 54.62 1twi s GLU 255 Cb -0.14 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 1twi s GLU 255 CO 0.02 0.70 -0.05 0.42 0.02 0.00 0.00 175.26 176.37 1twi s ILE 256 N -1.10 3.29 0.09 -1.63 -1.09 -1.26 -4.92 121.20 114.58 1twi s ILE 256 Ca 0.19 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 1twi s ILE 256 Cb -0.12 -2.50 -0.25 0.00 -1.58 0.00 0.00 42.46 38.01 1twi s ILE 256 CO 0.09 0.43 1.18 -0.33 -1.23 0.00 0.00 174.94 175.08 1twi h GLU 257 N 8.10 0.15 -4.86 2.79 5.08 -1.85 -3.43 114.58 120.56 1twi h GLU 257 Ca -0.42 -0.26 -0.47 0.00 -1.00 0.00 0.00 59.36 57.21 1twi h GLU 257 Cb 1.16 0.10 -0.31 0.00 0.50 0.00 0.00 28.75 30.20 1twi h GLU 257 CO 0.61 1.11 -0.80 -0.51 -1.00 0.00 0.00 179.01 178.41 1twi s ASP 258 N -6.94 1.53 -0.17 1.42 1.01 -0.21 -0.92 116.67 112.39 1twi s ASP 258 Ca -0.02 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.01 1twi s ASP 258 Cb 0.08 -0.40 0.02 0.00 1.01 0.00 0.00 42.92 43.63 1twi s ASP 258 CO 0.85 0.10 -0.20 -0.69 0.21 0.00 0.00 175.17 175.44 1twi s VAL 259 N 0.11 2.10 -0.23 -1.27 1.01 -0.60 -1.82 120.40 119.70 1twi s VAL 259 Ca -0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1twi s VAL 259 Cb -0.09 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1twi s VAL 259 CO 0.01 0.54 -0.09 0.21 0.00 0.00 0.00 175.10 175.77 1twi s ASN 260 N 1.16 4.06 -0.08 3.32 3.84 -0.40 -1.03 114.94 125.80 1twi s ASN 260 Ca 0.02 -0.79 0.16 0.00 0.21 0.00 0.00 52.86 52.46 1twi s ASN 260 Cb -0.14 -1.63 0.60 0.00 -0.55 0.00 0.00 41.25 39.54 1twi s ASN 260 CO -0.10 -0.09 1.49 0.18 -2.79 0.00 0.00 177.10 175.79 1twi n LEU 261 N 4.66 3.97 0.00 3.21 4.77 0.15 -1.49 117.00 132.27 1twi n LEU 261 Ca -0.18 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 1twi n LEU 261 Cb 0.48 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1twi n LEU 261 CO 0.27 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1twi n GLY 262 N 1.08 -1.21 0.00 -0.72 0.00 -0.55 -4.48 105.19 99.31 1twi n GLY 262 Ca 0.22 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1twi n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twi n GLY 263 N 0.00 5.13 0.00 -0.02 0.00 -1.24 -0.21 105.19 108.85 1twi n GLY 263 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1twi n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twi n GLY 264 N 4.86 0.67 3.67 -0.02 0.00 -1.25 -4.62 105.19 108.50 1twi n GLY 264 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1twi n GLY 264 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1twi n LEU 265 N 0.00 3.17 -4.81 0.99 7.94 -1.26 -1.68 117.00 121.34 1twi n LEU 265 Ca 0.00 1.07 -0.33 0.00 -1.11 0.00 0.00 56.01 55.65 1twi n LEU 265 Cb 0.00 -1.43 -0.00 0.00 0.53 0.00 0.00 43.42 42.52 1twi n LEU 265 CO 0.00 -0.25 0.71 -0.83 -1.11 0.00 0.00 177.39 175.91 1twi s GLY 266 N 1.12 2.11 0.27 -3.96 0.00 0.42 -4.17 107.32 103.10 1twi s GLY 266 Ca 0.79 0.34 0.10 0.00 0.00 0.00 0.00 44.72 45.95 1twi s GLY 266 CO 0.38 0.65 -0.04 -0.26 0.00 0.00 0.00 173.10 173.83 1twi s ILE 267 N -2.49 3.26 -1.27 0.90 -5.25 -1.26 -4.89 121.20 110.21 1twi s ILE 267 Ca 0.62 -2.00 -0.19 0.00 -0.99 0.00 0.00 60.65 58.09 1twi s ILE 267 Cb -0.14 -2.75 0.02 0.00 2.95 0.00 0.00 42.46 42.54 1twi s ILE 267 CO 0.35 -0.38 1.82 -0.81 -1.79 0.00 0.00 174.94 174.14 1twi n PRO 268 N -0.85 2.75 -0.12 0.37 -0.04 -1.26 -4.72 135.00 131.13 1twi n PRO 268 Ca -0.06 -3.01 -0.11 0.00 -0.04 0.00 0.00 63.50 60.28 1twi n PRO 268 Cb 0.59 -3.53 -0.02 0.00 -0.04 0.00 0.00 33.50 30.50 1twi n PRO 268 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1twi h TYR 269 N 8.00 0.71 -3.52 0.54 0.05 -1.92 -3.40 116.97 117.43 1twi h TYR 269 Ca 0.40 -0.13 -0.53 0.00 0.05 0.00 0.00 58.73 58.52 1twi h TYR 269 Cb 0.87 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.40 1twi h TYR 269 CO 1.37 0.76 0.23 0.71 -1.05 0.00 0.00 178.16 180.19 1twi s TYR 270 N -4.94 3.83 -2.75 4.88 2.02 -1.26 -4.18 117.35 114.94 1twi s TYR 270 Ca -0.13 1.64 0.23 0.00 -0.37 0.00 0.00 57.07 58.43 1twi s TYR 270 Cb 0.09 -2.88 0.16 0.00 -0.40 0.00 0.00 41.96 38.94 1twi s TYR 270 CO 0.79 0.34 1.20 1.63 -1.57 0.00 0.00 175.55 177.94 1twi n LYS 271 N 2.34 2.07 0.07 -0.62 4.76 -1.26 -4.52 118.16 121.00 1twi n LYS 271 Ca -0.02 -1.77 0.12 0.00 -2.87 0.00 0.00 58.31 53.77 1twi n LYS 271 Cb 0.49 -1.44 0.12 0.00 -1.84 0.00 0.00 35.03 32.37 1twi n LYS 271 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1twi h ASP 272 N 4.25 0.00 -4.23 4.39 2.03 -1.96 -3.43 116.42 117.47 1twi h ASP 272 Ca 0.00 -0.17 -0.51 0.00 -0.73 0.00 0.00 57.03 55.63 1twi h ASP 272 Cb 0.92 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 39.13 1twi h ASP 272 CO 0.00 0.08 -0.82 -0.54 -1.03 0.00 0.00 179.24 176.93 1twi s LYS 273 N -3.22 1.24 0.60 4.15 1.02 -1.26 -5.12 119.74 117.15 1twi s LYS 273 Ca 0.05 -0.54 -0.16 0.00 0.02 0.00 0.00 55.97 55.33 1twi s LYS 273 Cb 0.12 -1.20 -0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1twi s LYS 273 CO 0.74 0.32 1.08 -0.65 -0.92 0.00 0.00 175.35 175.92 1twi s GLN 274 N -0.34 3.21 0.19 1.68 -0.21 -1.26 -5.02 119.66 117.91 1twi s GLN 274 Ca 0.06 1.33 0.00 0.00 0.02 0.00 0.00 55.36 56.77 1twi s GLN 274 Cb -0.06 -2.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.90 1twi s GLN 274 CO -0.01 -0.91 0.07 0.96 -2.12 0.00 0.00 175.29 173.28 1twi s ILE 275 N -2.28 0.34 0.38 1.08 -4.36 -1.26 -5.12 121.20 109.98 1twi s ILE 275 Ca 0.66 -1.97 -0.28 0.00 -0.26 0.00 0.00 60.65 58.80 1twi s ILE 275 Cb -0.18 -2.31 -0.11 0.00 1.25 0.00 0.00 42.46 41.11 1twi s ILE 275 CO 0.35 -0.25 1.47 -2.65 0.24 0.00 0.00 174.94 174.10 1twi n PRO 276 N -0.26 2.61 -3.43 0.37 -0.02 -1.26 -5.02 135.00 127.99 1twi n PRO 276 Ca -0.03 0.92 -0.23 0.00 -2.02 0.00 0.00 63.50 62.14 1twi n PRO 276 Cb 0.65 -2.65 0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1twi n PRO 276 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1twi n THR 277 N 0.38 0.00 -0.34 3.45 -2.24 -1.26 -4.89 114.28 109.37 1twi n THR 277 Ca 0.02 -2.05 0.01 0.00 -2.27 0.00 0.00 64.05 59.76 1twi n THR 277 Cb 0.39 -0.24 0.17 0.00 -2.10 0.00 0.00 70.33 68.54 1twi n THR 277 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1twi h GLN 278 N 0.00 1.18 -0.60 -0.78 7.50 -1.95 -0.80 115.11 119.66 1twi h GLN 278 Ca -0.31 -0.07 0.01 0.00 0.50 0.00 0.00 58.65 58.78 1twi h GLN 278 Cb 1.25 -0.27 -0.03 0.00 0.05 0.00 0.00 27.48 28.48 1twi h GLN 278 CO 0.47 0.78 0.40 0.87 -1.50 0.00 0.00 178.83 179.84 1twi h LYS 279 N 1.21 0.78 -0.73 1.46 1.57 -1.91 -0.29 116.57 118.66 1twi h LYS 279 Ca 0.38 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1twi h LYS 279 Cb 0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1twi h LYS 279 CO -0.12 0.52 0.37 -0.44 -0.57 0.00 0.00 179.45 179.21 1twi h ASP 280 N 0.81 0.93 -0.53 0.86 3.32 -1.60 -0.83 116.42 119.37 1twi h ASP 280 Ca 0.22 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1twi h ASP 280 Cb -0.09 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 1twi h ASP 280 CO -0.05 0.78 0.29 0.25 -1.72 0.00 0.00 179.24 178.79 1twi h LEU 281 N 1.01 0.66 -0.44 1.55 5.85 -0.71 -2.04 115.31 121.19 1twi h LEU 281 Ca 0.25 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.74 1twi h LEU 281 Cb 0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1twi h LEU 281 CO -0.04 0.56 -0.28 0.00 -0.34 0.00 0.00 178.44 178.35 1twi h ALA 282 N 1.13 0.63 -0.47 1.25 0.00 -0.83 0.77 119.26 121.73 1twi h ALA 282 Ca 0.19 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1twi h ALA 282 Cb 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1twi h ALA 282 CO -0.03 0.67 0.26 -0.44 0.00 0.00 0.00 179.25 179.71 1twi h ASP 283 N 0.81 0.41 0.09 0.00 3.32 -1.03 0.43 116.42 120.45 1twi h ASP 283 Ca 0.09 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1twi h ASP 283 Cb 0.87 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1twi h ASP 283 CO 0.08 0.29 -0.04 0.00 -1.72 0.00 0.00 179.24 177.84 1twi h ALA 284 N 1.23 -0.12 -0.01 3.45 0.00 -1.10 -2.27 119.26 120.43 1twi h ALA 284 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1twi h ALA 284 Cb 0.06 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1twi h ALA 284 CO -0.11 -0.48 0.00 0.82 0.00 0.00 0.00 179.25 179.48 1twi h ILE 285 N -0.30 1.23 -0.27 0.00 2.04 -0.69 -2.51 117.51 117.01 1twi h ILE 285 Ca -0.01 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1twi h ILE 285 Cb 0.26 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1twi h ILE 285 CO 0.02 0.18 0.04 0.40 0.00 0.00 0.00 178.15 178.80 1twi h ILE 286 N -0.27 1.23 0.00 -0.67 2.04 -0.99 0.65 117.51 119.50 1twi h ILE 286 Ca 0.00 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 1twi h ILE 286 Cb 0.29 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1twi h ILE 286 CO 0.00 0.25 -0.23 0.78 0.00 0.00 0.00 178.15 178.95 1twi h ASN 287 N 0.25 0.00 0.01 1.72 2.35 -1.51 -1.00 115.58 117.40 1twi h ASN 287 Ca 0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1twi h ASN 287 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1twi h ASN 287 CO 0.00 0.23 -0.00 0.74 -1.65 0.00 0.00 177.43 176.75 1twi h THR 288 N 0.00 1.53 -0.64 2.81 2.02 -0.94 -3.26 112.91 114.42 1twi h THR 288 Ca -0.00 -1.67 0.01 0.00 0.77 0.00 0.00 66.41 65.52 1twi h THR 288 Cb 0.44 2.65 -0.03 0.00 -1.74 0.00 0.00 68.15 69.47 1twi h THR 288 CO 0.03 0.43 0.43 0.24 0.37 0.00 0.00 175.52 177.01 1twi h MET 289 N -0.74 0.85 0.00 6.66 2.86 -0.66 -2.34 114.93 121.56 1twi h MET 289 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1twi h MET 289 Cb 0.71 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1twi h MET 289 CO 0.00 0.56 0.00 -0.07 1.06 0.00 0.00 176.91 178.46 1twi h LEU 290 N 0.87 0.00 -2.27 1.22 3.38 -1.25 -1.89 115.31 115.37 1twi h LEU 290 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1twi h LEU 290 Cb -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1twi h LEU 290 CO -0.05 0.00 -0.01 0.11 0.09 0.00 0.00 178.44 178.58 1twi h LYS 291 N 0.00 0.00 -0.28 1.13 1.57 -1.46 -2.91 116.57 114.62 1twi h LYS 291 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1twi h LYS 291 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1twi h LYS 291 CO 0.00 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 1twi n TYR 292 N -3.12 0.35 0.28 -1.35 4.02 -0.71 -4.57 117.16 112.06 1twi n TYR 292 Ca -0.01 -0.18 0.18 0.00 -0.01 0.00 0.00 57.90 57.88 1twi n TYR 292 Cb 0.18 -0.00 0.96 0.00 -0.02 0.00 0.00 39.34 40.46 1twi n TYR 292 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1twi h LYS 293 N 4.56 0.00 -0.01 -0.72 2.10 -1.65 0.21 116.57 121.07 1twi h LYS 293 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1twi h LYS 293 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1twi h LYS 293 CO 0.00 0.00 -0.51 -0.25 -2.00 0.00 0.00 179.45 176.69 1twi n ASP 294 N -2.78 1.18 -0.09 7.07 8.00 -1.26 -4.30 116.55 124.37 1twi n ASP 294 Ca -0.02 -0.94 -0.10 0.00 0.71 0.00 0.00 54.79 54.44 1twi n ASP 294 Cb 0.11 0.41 -0.14 0.00 -0.02 0.00 0.00 41.12 41.48 1twi n ASP 294 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1twi n LYS 295 N -0.82 0.96 -3.93 -1.24 5.02 -0.01 -5.02 118.16 113.12 1twi n LYS 295 Ca 0.08 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1twi n LYS 295 Cb 0.37 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 1twi n LYS 295 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1twi s VAL 296 N -2.45 0.15 0.31 -0.18 -7.23 -0.76 -5.01 120.40 105.23 1twi s VAL 296 Ca -0.11 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 1twi s VAL 296 Cb 0.06 -1.10 -0.10 0.00 0.56 0.00 0.00 36.38 35.80 1twi s VAL 296 CO 0.74 -0.67 1.19 -1.61 -0.31 0.00 0.00 175.10 174.44 1twi s GLU 297 N -3.11 4.49 0.23 4.82 2.02 -1.26 -4.34 118.70 121.54 1twi s GLU 297 Ca -0.01 1.98 -0.30 0.00 0.02 0.00 0.00 54.97 56.66 1twi s GLU 297 Cb 0.02 -3.11 -0.10 0.00 0.10 0.00 0.00 34.13 31.04 1twi s GLU 297 CO -0.07 0.02 1.42 -1.64 0.02 0.00 0.00 175.26 175.01 1twi s MET 298 N -1.64 4.29 0.66 1.61 -1.94 -1.26 -4.98 119.30 116.04 1twi s MET 298 Ca 0.47 2.26 -0.00 0.00 -1.71 0.00 0.00 55.69 56.71 1twi s MET 298 Cb -0.35 -3.13 0.09 0.00 2.01 0.00 0.00 34.83 33.45 1twi s MET 298 CO 0.46 -0.40 0.92 -1.25 -0.01 0.00 0.00 175.02 174.74 1twi s PRO 299 N -0.23 1.98 0.54 2.03 0.04 -1.26 -4.92 135.00 133.18 1twi s PRO 299 Ca 0.59 -0.97 -0.20 0.00 0.04 0.00 0.00 61.00 60.47 1twi s PRO 299 Cb -0.41 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 1twi s PRO 299 CO 0.42 -1.20 1.14 -0.80 0.04 0.00 0.00 177.00 176.59 1twi s ASN 300 N -4.63 5.71 -0.12 6.66 0.01 -0.10 -4.73 114.94 117.75 1twi s ASN 300 Ca 0.63 2.20 0.01 0.00 -0.71 0.00 0.00 52.86 54.99 1twi s ASN 300 Cb -0.07 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 1twi s ASN 300 CO 0.42 -1.23 -0.14 -0.22 -1.51 0.00 0.00 177.10 174.42 1twi s LEU 301 N -3.77 2.67 -0.02 0.60 2.96 0.08 -1.55 118.68 119.65 1twi s LEU 301 Ca 0.73 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 1twi s LEU 301 Cb -0.25 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 1twi s LEU 301 CO 0.28 0.19 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.69 1twi s ILE 302 N 0.20 1.43 0.21 6.68 1.01 -0.20 -0.95 121.20 129.58 1twi s ILE 302 Ca -0.08 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 59.90 1twi s ILE 302 Cb -0.15 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 1twi s ILE 302 CO 0.05 0.41 -0.19 -0.76 0.00 0.00 0.00 174.94 174.45 1twi s LEU 303 N -0.33 2.50 -0.45 2.97 1.43 -0.83 -0.68 118.68 123.30 1twi s LEU 303 Ca 0.05 -0.94 0.08 0.00 -1.03 0.00 0.00 54.13 52.28 1twi s LEU 303 Cb -0.08 -0.92 0.40 0.00 0.03 0.00 0.00 46.19 45.62 1twi s LEU 303 CO -0.00 -0.02 1.01 -0.62 0.23 0.00 0.00 176.35 176.95 1twi n GLU 304 N -0.10 2.76 -1.99 1.70 1.02 0.70 -0.24 120.64 124.49 1twi n GLU 304 Ca -0.10 -4.27 -0.39 0.00 -0.02 0.00 0.00 57.16 52.38 1twi n GLU 304 Cb 0.58 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1twi n GLU 304 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1twi s PRO 305 N -3.35 3.81 0.00 3.49 0.04 -1.26 -3.61 135.00 134.12 1twi s PRO 305 Ca 0.44 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1twi s PRO 305 Cb 0.38 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1twi s PRO 305 CO -0.13 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.69 1twi n GLY 306 N 0.64 0.29 0.26 0.56 0.00 -1.26 -1.13 105.19 104.55 1twi n GLY 306 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1twi n GLY 306 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1twi h ARG 307 N 0.00 0.23 0.00 1.61 2.43 -1.89 -0.55 114.38 116.21 1twi h ARG 307 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1twi h ARG 307 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1twi h ARG 307 CO 0.00 0.15 0.00 -1.13 -1.51 0.00 0.00 179.97 177.48 1twi n SER 308 N -5.18 0.00 -0.09 -3.80 3.41 -1.26 -1.08 113.62 105.63 1twi n SER 308 Ca 0.13 0.09 -0.15 0.00 -0.26 0.00 0.00 58.87 58.69 1twi n SER 308 Cb 0.43 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 1twi n SER 308 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1twi n LEU 309 N -1.30 1.63 -0.00 1.04 4.77 -0.24 -4.83 117.00 118.09 1twi n LEU 309 Ca 0.07 0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.08 1twi n LEU 309 Cb 0.12 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1twi n LEU 309 CO 0.11 0.71 -0.39 1.33 -1.33 0.00 0.00 177.39 177.82 1twi n VAL 310 N -3.09 0.00 0.01 4.08 0.24 -1.05 -4.62 118.33 113.90 1twi n VAL 310 Ca -0.36 -0.15 -0.09 0.00 -2.04 0.00 0.00 64.34 61.69 1twi n VAL 310 Cb 1.07 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 33.99 1twi n VAL 310 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1twi h ALA 311 N 0.23 -0.10 0.00 2.33 0.00 -1.33 -1.93 119.26 118.46 1twi h ALA 311 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1twi h ALA 311 Cb 0.09 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1twi h ALA 311 CO 0.00 -0.62 0.00 0.25 0.00 0.00 0.00 179.25 178.88 1twi n THR 312 N -5.30 0.73 0.91 0.00 -2.24 -1.26 -1.37 114.28 105.74 1twi n THR 312 Ca -0.03 0.18 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 1twi n THR 312 Cb 0.22 -0.92 0.34 0.00 -2.10 0.00 0.00 70.33 67.87 1twi n THR 312 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1twi n ALA 313 N -1.39 3.07 -2.78 6.98 0.00 -0.73 -4.77 120.51 120.90 1twi n ALA 313 Ca 0.06 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 1twi n ALA 313 Cb 0.15 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.27 1twi n ALA 313 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1twi s GLY 314 N -3.14 1.87 0.01 0.00 0.00 -1.00 -0.09 107.32 104.96 1twi s GLY 314 Ca 0.11 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 44.09 1twi s GLY 314 CO 0.65 -0.33 -0.12 -0.19 0.00 0.00 0.00 173.10 173.11 1twi s TYR 315 N -0.41 1.08 -0.21 1.90 1.51 -0.11 -1.27 117.35 119.85 1twi s TYR 315 Ca 0.08 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1twi s TYR 315 Cb -0.12 -0.68 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 1twi s TYR 315 CO 0.02 -0.01 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.19 1twi s LEU 316 N -0.54 2.66 -0.15 -1.29 2.96 -0.27 -0.20 118.68 121.85 1twi s LEU 316 Ca 0.03 -0.48 -0.11 0.00 -0.22 0.00 0.00 54.13 53.35 1twi s LEU 316 Cb -0.06 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1twi s LEU 316 CO 0.00 -0.02 0.21 -0.76 -1.32 0.00 0.00 176.35 174.47 1twi s LEU 317 N 1.42 4.28 -0.03 -0.68 1.43 0.44 -0.47 118.68 125.07 1twi s LEU 317 Ca 0.05 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 1twi s LEU 317 Cb -0.14 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.88 1twi s LEU 317 CO -0.06 0.21 -0.03 -0.83 0.23 0.00 0.00 176.35 175.87 1twi s GLY 318 N -0.02 0.34 0.21 -3.19 0.00 -0.39 -0.97 107.32 103.30 1twi s GLY 318 Ca 0.14 0.03 -0.20 0.00 0.00 0.00 0.00 44.72 44.68 1twi s GLY 318 CO 0.03 0.44 0.73 1.25 0.00 0.00 0.00 173.10 175.54 1twi s LYS 319 N 0.84 4.29 -0.26 2.90 2.20 -1.26 -0.66 119.74 127.79 1twi s LYS 319 Ca -0.10 0.90 -0.28 0.00 -0.36 0.00 0.00 55.97 56.14 1twi s LYS 319 Cb -0.13 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 1twi s LYS 319 CO -0.01 0.43 1.00 0.08 -0.36 0.00 0.00 175.35 176.49 1twi s VAL 320 N -1.46 4.66 -0.09 4.02 1.01 -0.07 -0.88 120.40 127.59 1twi s VAL 320 Ca 0.42 1.82 0.17 0.00 0.00 0.00 0.00 61.98 64.39 1twi s VAL 320 Cb -0.18 -4.30 -0.26 0.00 0.00 0.00 0.00 36.38 31.64 1twi s VAL 320 CO 0.22 -0.26 0.26 1.41 0.00 0.00 0.00 175.10 176.73 1twi n HIS 321 N 6.43 0.00 -3.78 5.22 -0.00 -0.08 -0.59 115.22 122.41 1twi n HIS 321 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.70 1twi n HIS 321 Cb 0.47 -0.61 -0.10 0.00 -0.00 0.00 0.00 29.99 29.75 1twi n HIS 321 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1twi s HIS 322 N -2.92 -0.22 -0.06 4.41 3.76 -1.19 -4.89 115.29 114.18 1twi s HIS 322 Ca -0.08 0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.34 1twi s HIS 322 Cb 0.09 0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.85 1twi s HIS 322 CO 0.74 -0.27 -0.18 0.42 -0.85 0.00 0.00 174.74 174.60 1twi s ILE 323 N -0.65 2.71 -0.18 0.60 1.01 -1.26 -0.63 121.20 122.80 1twi s ILE 323 Ca -0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 1twi s ILE 323 Cb -0.04 -2.04 0.06 0.00 0.01 0.00 0.00 42.46 40.45 1twi s ILE 323 CO 0.02 0.58 0.08 -0.75 0.00 0.00 0.00 174.94 174.86 1twi s LYS 324 N -0.44 0.25 0.01 2.79 2.20 0.60 -5.01 119.74 120.15 1twi s LYS 324 Ca 0.05 -0.21 -0.26 0.00 -0.36 0.00 0.00 55.97 55.19 1twi s LYS 324 Cb -0.12 -1.89 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 1twi s LYS 324 CO 0.02 -0.68 0.80 -1.21 -0.36 0.00 0.00 175.35 173.92 1twi s GLU 325 N 2.05 4.51 0.37 4.03 2.02 -1.26 -1.18 118.70 129.24 1twi s GLU 325 Ca 0.01 1.11 0.04 0.00 0.02 0.00 0.00 54.97 56.16 1twi s GLU 325 Cb -0.16 -3.41 -0.06 0.00 0.10 0.00 0.00 34.13 30.60 1twi s GLU 325 CO -0.10 0.15 0.06 0.95 0.02 0.00 0.00 175.26 176.34 1twi s THR 326 N 0.41 1.21 0.34 3.63 -4.23 -0.34 -4.99 115.64 111.68 1twi s THR 326 Ca 0.42 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1twi s THR 326 Cb -0.20 -2.70 0.29 0.00 1.34 0.00 0.00 72.50 71.23 1twi s THR 326 CO 0.23 0.00 1.95 -0.65 -0.54 0.00 0.00 174.62 175.61 1twi h PRO 327 N 1.94 0.84 0.00 3.99 0.11 -2.05 -3.23 132.00 133.60 1twi h PRO 327 Ca -0.41 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 1twi h PRO 327 Cb 1.25 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1twi h PRO 327 CO 0.70 0.55 -2.17 1.55 -0.21 0.00 0.00 178.00 178.43 1twi n VAL 328 N -4.48 0.80 -3.59 3.15 3.14 -1.26 -5.03 118.33 111.07 1twi n VAL 328 Ca 0.11 -0.70 -0.15 0.00 -2.96 0.00 0.00 64.34 60.64 1twi n VAL 328 Cb 0.20 -0.29 -0.06 0.00 -1.06 0.00 0.00 33.84 32.63 1twi n VAL 328 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1twi s THR 329 N -2.94 0.03 -0.33 1.55 -4.23 -1.22 -5.11 115.64 103.38 1twi s THR 329 Ca -0.09 -0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.07 1twi s THR 329 Cb 0.09 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.98 1twi s THR 329 CO 0.86 -0.12 0.32 -0.75 -0.54 0.00 0.00 174.62 174.39 1twi s LYS 330 N -1.98 3.62 -0.05 3.99 2.20 -1.26 -1.19 119.74 125.06 1twi s LYS 330 Ca -0.08 -0.42 -0.09 0.00 -0.36 0.00 0.00 55.97 55.02 1twi s LYS 330 Cb -0.01 -3.78 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 1twi s LYS 330 CO 0.02 -0.46 0.24 -1.58 -0.36 0.00 0.00 175.35 173.22 1twi s TRP 331 N 1.93 3.63 -0.18 4.03 0.52 -0.32 -1.30 118.94 127.24 1twi s TRP 331 Ca 0.10 0.66 0.00 0.00 0.02 0.00 0.00 56.10 56.89 1twi s TRP 331 Cb -0.17 -2.04 0.01 0.00 -1.15 0.00 0.00 33.47 30.13 1twi s TRP 331 CO 0.11 0.68 -0.18 0.08 0.02 0.00 0.00 176.95 177.66 1twi s VAL 332 N -1.12 2.26 -0.23 4.03 1.01 -0.38 -0.29 120.40 125.68 1twi s VAL 332 Ca 0.21 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 1twi s VAL 332 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1twi s VAL 332 CO 0.10 0.52 0.09 -0.04 0.00 0.00 0.00 175.10 175.77 1twi s MET 333 N 1.26 3.82 0.35 2.72 1.00 0.20 -1.31 119.30 127.34 1twi s MET 333 Ca 0.04 -0.40 0.09 0.00 0.00 0.00 0.00 55.69 55.41 1twi s MET 333 Cb -0.13 -3.34 -0.05 0.00 0.00 0.00 0.00 34.83 31.30 1twi s MET 333 CO -0.10 -0.03 0.05 0.96 0.00 0.00 0.00 175.02 175.90 1twi s ILE 334 N 1.21 2.63 -2.12 2.53 -4.36 -0.05 -0.91 121.20 120.13 1twi s ILE 334 Ca 0.05 -1.90 0.25 0.00 -0.26 0.00 0.00 60.65 58.79 1twi s ILE 334 Cb -0.14 -2.86 0.64 0.00 1.25 0.00 0.00 42.46 41.35 1twi s ILE 334 CO 0.04 -0.17 1.85 -0.90 0.24 0.00 0.00 174.94 176.01 1twi n ASP 335 N -1.02 0.51 -4.88 4.36 5.68 -0.06 -3.84 116.55 117.30 1twi n ASP 335 Ca -0.04 -1.35 -0.31 0.00 -0.50 0.00 0.00 54.79 52.60 1twi n ASP 335 Cb 0.63 -0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.54 1twi n ASP 335 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1twi s ALA 336 N -1.96 3.54 0.29 2.12 0.00 -1.26 -4.25 121.76 120.22 1twi s ALA 336 Ca 0.36 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.91 1twi s ALA 336 Cb 0.18 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.84 1twi s ALA 336 CO 0.29 0.37 0.52 0.20 0.00 0.00 0.00 175.76 177.14 1twi s GLY 337 N -2.64 0.73 0.53 0.00 0.00 -1.26 -4.00 107.32 100.67 1twi s GLY 337 Ca 0.48 -1.00 0.25 0.00 0.00 0.00 0.00 44.72 44.44 1twi s GLY 337 CO 0.24 -0.66 1.99 0.00 0.00 0.00 0.00 173.10 174.67 1twi h MET 338 N 2.18 0.01 0.00 2.90 -0.00 -1.91 0.14 114.93 118.26 1twi h MET 338 Ca -0.27 -0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.38 1twi h MET 338 Cb 1.25 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.84 1twi h MET 338 CO 0.36 0.01 -0.21 -2.95 -0.00 0.00 0.00 176.91 174.12 1twi h ASN 339 N 0.02 0.00 0.90 -0.10 -1.07 -1.87 -2.70 115.58 110.76 1twi h ASN 339 Ca 0.26 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.41 1twi h ASN 339 Cb 1.03 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.26 1twi h ASN 339 CO -0.01 0.21 -1.08 0.44 0.07 0.00 0.00 177.43 177.07 1twi h ASP 340 N 0.00 0.09 -1.10 6.14 3.32 -0.97 0.18 116.42 124.08 1twi h ASP 340 Ca -0.00 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1twi h ASP 340 Cb 0.47 -0.03 -0.22 0.00 0.22 0.00 0.00 39.33 39.77 1twi h ASP 340 CO 0.03 1.08 -0.36 -0.32 -1.72 0.00 0.00 179.24 177.95 1twi s MET 341 N -2.69 0.54 0.00 3.56 1.75 -1.04 -4.41 119.30 117.01 1twi s MET 341 Ca -0.00 0.68 0.28 0.00 -1.25 0.00 0.00 55.69 55.40 1twi s MET 341 Cb 0.09 0.28 1.13 0.00 2.84 0.00 0.00 34.83 39.18 1twi s MET 341 CO 0.83 -0.88 1.81 -1.33 -0.65 0.00 0.00 175.02 174.80 1twi n MET 342 N 5.42 0.61 0.06 4.11 2.81 -1.06 -4.29 117.12 124.78 1twi n MET 342 Ca 0.02 -0.22 -0.12 0.00 -1.81 0.00 0.00 57.70 55.57 1twi n MET 342 Cb 0.52 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.48 1twi n MET 342 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1twi h ARG 343 N 0.55 -0.12 -0.24 0.03 3.08 -1.88 -1.06 114.38 114.74 1twi h ARG 343 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1twi h ARG 343 Cb 0.39 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1twi h ARG 343 CO 0.00 -0.08 0.11 -1.35 -1.07 0.00 0.00 179.97 177.59 1twi h PRO 344 N -0.12 0.35 -0.82 0.04 0.11 -1.80 -0.17 132.00 129.58 1twi h PRO 344 Ca 0.02 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1twi h PRO 344 Cb 0.14 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.15 1twi h PRO 344 CO -0.05 0.36 0.50 0.00 -0.21 0.00 0.00 178.00 178.60 1twi h ALA 345 N 0.97 1.34 0.16 -0.75 0.00 -1.64 0.23 119.26 119.57 1twi h ALA 345 Ca 0.08 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1twi h ALA 345 Cb 0.13 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1twi h ALA 345 CO -0.01 0.57 -1.42 1.98 0.00 0.00 0.00 179.25 180.38 1twi h MET 346 N 1.13 0.34 0.00 0.00 -1.53 -1.12 -3.40 114.93 110.35 1twi h MET 346 Ca 0.30 -0.58 0.00 0.00 -3.44 0.00 0.00 59.70 55.98 1twi h MET 346 Cb -0.06 0.22 0.00 0.00 -0.55 0.00 0.00 31.60 31.20 1twi h MET 346 CO -0.06 1.25 0.00 0.66 0.14 0.00 0.00 176.91 178.90 1twi n TYR 347 N -3.56 0.00 -2.95 1.39 4.01 -0.09 -4.97 117.16 111.00 1twi n TYR 347 Ca -0.14 -0.09 -0.21 0.00 -0.16 0.00 0.00 57.90 57.30 1twi n TYR 347 Cb 1.05 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 40.09 1twi n TYR 347 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1twi n GLU 348 N -0.09 -3.66 -2.54 -0.72 2.13 0.79 -4.92 120.64 111.64 1twi n GLU 348 Ca 0.00 0.75 -0.38 0.00 0.66 0.00 0.00 57.16 58.19 1twi n GLU 348 Cb 0.10 -5.51 -0.04 0.00 0.27 0.00 0.00 31.44 26.26 1twi n GLU 348 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1twi s ALA 349 N -3.00 3.24 -0.05 4.31 0.00 -1.23 -4.96 121.76 120.07 1twi s ALA 349 Ca 0.25 0.77 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 1twi s ALA 349 Cb -0.12 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1twi s ALA 349 CO 0.30 -0.15 0.85 -0.47 0.00 0.00 0.00 175.76 176.29 1twi s TYR 350 N -1.41 3.59 -0.02 0.00 6.14 -1.26 -4.27 117.35 120.12 1twi s TYR 350 Ca 0.51 1.45 0.04 0.00 0.64 0.00 0.00 57.07 59.71 1twi s TYR 350 Cb -0.26 -2.98 -0.00 0.00 0.42 0.00 0.00 41.96 39.13 1twi s TYR 350 CO 0.34 -0.00 -0.13 -1.01 0.64 0.00 0.00 175.55 175.38 1twi s HIS 351 N 1.09 1.24 0.31 4.97 3.76 -1.26 -4.77 115.29 120.63 1twi s HIS 351 Ca 0.44 -0.29 -0.29 0.00 -0.15 0.00 0.00 55.06 54.77 1twi s HIS 351 Cb -0.19 -0.83 -0.10 0.00 1.11 0.00 0.00 32.58 32.57 1twi s HIS 351 CO 0.22 -0.08 1.23 -1.58 -0.85 0.00 0.00 174.74 173.68 1twi s HIS 352 N -0.08 3.23 -0.01 1.40 2.46 -1.26 -4.86 115.29 116.18 1twi s HIS 352 Ca 0.01 1.52 0.01 0.00 0.47 0.00 0.00 55.06 57.06 1twi s HIS 352 Cb -0.08 -3.54 0.00 0.00 -0.13 0.00 0.00 32.58 28.84 1twi s HIS 352 CO 0.00 -1.40 -0.04 0.42 -2.47 0.00 0.00 174.74 171.25 1twi s ILE 353 N -1.14 0.38 0.16 0.89 1.01 -1.26 -0.79 121.20 120.45 1twi s ILE 353 Ca 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1twi s ILE 353 Cb -0.37 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1twi s ILE 353 CO 0.49 0.13 0.05 0.27 0.00 0.00 0.00 174.94 175.87 1twi s ILE 354 N 0.14 0.34 0.06 2.92 -4.36 -0.78 -4.94 121.20 114.60 1twi s ILE 354 Ca -0.01 -1.95 -0.22 0.00 -0.26 0.00 0.00 60.65 58.21 1twi s ILE 354 Cb -0.05 -2.16 -0.06 0.00 1.25 0.00 0.00 42.46 41.44 1twi s ILE 354 CO -0.00 -0.39 0.66 0.21 0.24 0.00 0.00 174.94 175.65 1twi s ASN 355 N -3.13 7.13 0.03 4.36 3.84 -1.26 -1.14 114.94 124.77 1twi s ASN 355 Ca 0.26 1.35 0.16 0.00 0.21 0.00 0.00 52.86 54.84 1twi s ASN 355 Cb 0.07 -2.41 0.69 0.00 -0.55 0.00 0.00 41.25 39.05 1twi s ASN 355 CO 0.04 0.16 1.52 0.00 -2.79 0.00 0.00 177.10 176.03 1twi s LYS 357 N -3.03 3.25 0.21 0.00 2.47 -1.26 -0.92 119.74 120.45 1twi s LYS 357 Ca 0.07 -0.75 -0.30 0.00 -1.56 0.00 0.00 55.97 53.43 1twi s LYS 357 Cb 0.10 -2.57 -0.08 0.00 -1.46 0.00 0.00 37.83 33.81 1twi s LYS 357 CO 0.29 0.11 1.12 0.08 0.16 0.00 0.00 175.35 177.11 1twi s VAL 358 N 0.58 3.69 0.39 4.02 1.01 0.13 -4.85 120.40 125.37 1twi s VAL 358 Ca -0.10 1.53 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1twi s VAL 358 Cb -0.16 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1twi s VAL 358 CO 0.03 0.29 0.04 -0.54 0.00 0.00 0.00 175.10 174.93 1twi s LYS 359 N -0.70 1.87 -0.32 2.72 -0.14 -1.26 -4.96 119.74 116.96 1twi s LYS 359 Ca 0.48 -2.08 0.10 0.00 -1.36 0.00 0.00 55.97 53.12 1twi s LYS 359 Cb -0.31 -1.25 0.77 0.00 -1.68 0.00 0.00 37.83 35.36 1twi s LYS 359 CO 0.37 -0.18 1.81 0.09 -0.76 0.00 0.00 175.35 176.69 1twi n ASN 360 N -0.93 5.01 -3.71 2.83 3.02 -1.26 -4.85 115.26 115.37 1twi n ASN 360 Ca -0.06 -3.19 -0.14 0.00 -0.03 0.00 0.00 54.58 51.16 1twi n ASN 360 Cb 0.67 -0.74 -0.09 0.00 -0.61 0.00 0.00 39.78 39.01 1twi n ASN 360 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1twi s GLU 361 N -2.97 0.65 0.21 3.52 2.12 -1.26 -5.09 118.70 115.88 1twi s GLU 361 Ca 0.56 0.25 0.08 0.00 0.36 0.00 0.00 54.97 56.21 1twi s GLU 361 Cb 0.44 0.30 -0.05 0.00 0.26 0.00 0.00 34.13 35.09 1twi s GLU 361 CO 0.14 -0.15 -0.15 0.15 -0.54 0.00 0.00 175.26 174.71 1twi s LYS 362 N -0.58 1.36 0.16 4.30 1.02 -1.26 -0.79 119.74 123.95 1twi s LYS 362 Ca -0.07 -1.59 -0.22 0.00 0.02 0.00 0.00 55.97 54.11 1twi s LYS 362 Cb -0.03 -1.20 0.06 0.00 -0.52 0.00 0.00 37.83 36.14 1twi s LYS 362 CO 0.03 0.21 0.57 -1.83 -0.92 0.00 0.00 175.35 173.41 1twi s GLU 363 N -3.56 1.26 -0.21 1.68 -1.05 -0.56 -4.78 118.70 111.47 1twi s GLU 363 Ca 0.23 -0.53 -0.09 0.00 -0.15 0.00 0.00 54.97 54.42 1twi s GLU 363 Cb -0.02 0.57 -0.05 0.00 -0.44 0.00 0.00 34.13 34.20 1twi s GLU 363 CO 0.08 -0.54 0.12 0.08 0.95 0.00 0.00 175.26 175.94 1twi s VAL 364 N -3.77 5.16 0.16 1.83 1.01 -1.26 -0.92 120.40 122.62 1twi s VAL 364 Ca 0.02 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 1twi s VAL 364 Cb -0.01 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1twi s VAL 364 CO -0.12 0.40 0.19 0.68 0.00 0.00 0.00 175.10 176.25 1twi s VAL 365 N 0.72 0.07 -0.01 2.92 -7.23 -0.11 -4.64 120.40 112.12 1twi s VAL 365 Ca 0.06 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1twi s VAL 365 Cb -0.13 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 1twi s VAL 365 CO 0.02 -0.31 -0.09 -0.44 -0.31 0.00 0.00 175.10 173.96 1twi s SER 366 N -3.02 4.43 -0.15 4.85 0.01 -0.42 -0.03 113.70 119.36 1twi s SER 366 Ca 0.23 -0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.32 1twi s SER 366 Cb 0.05 -1.00 -0.01 0.00 0.21 0.00 0.00 66.02 65.27 1twi s SER 366 CO 0.03 0.31 -0.14 -0.63 0.41 0.00 0.00 173.24 173.21 1twi s ILE 367 N -0.91 2.84 0.13 1.44 1.09 0.65 -1.25 121.20 125.19 1twi s ILE 367 Ca 0.15 -0.72 0.05 0.00 -1.10 0.00 0.00 60.65 59.04 1twi s ILE 367 Cb -0.11 -2.20 -0.04 0.00 -1.06 0.00 0.00 42.46 39.05 1twi s ILE 367 CO 0.05 0.51 -0.12 0.00 -0.10 0.00 0.00 174.94 175.28 1twi s ALA 368 N 0.72 1.45 0.61 9.38 0.00 -0.43 -0.15 121.76 133.35 1twi s ALA 368 Ca -0.06 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 1twi s ALA 368 Cb -0.15 -0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.02 1twi s ALA 368 CO 0.02 0.03 0.54 0.41 0.00 0.00 0.00 175.76 176.75 1twi n GLY 369 N 0.29 0.51 1.73 0.00 0.00 -1.10 -0.87 105.19 105.75 1twi n GLY 369 Ca -0.14 -1.97 0.09 0.00 0.00 0.00 0.00 46.02 44.00 1twi n GLY 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twi n GLY 370 N 0.96 2.84 3.87 -0.02 0.00 -1.25 -4.78 105.19 106.81 1twi n GLY 370 Ca 0.09 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1twi n GLY 370 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1twi s LEU 371 N -2.20 3.55 0.08 0.99 1.02 -1.26 -4.94 118.68 115.91 1twi s LEU 371 Ca 0.53 1.32 0.09 0.00 0.02 0.00 0.00 54.13 56.09 1twi s LEU 371 Cb 0.37 -4.28 0.41 0.00 0.02 0.00 0.00 46.19 42.71 1twi s LEU 371 CO 0.22 -0.63 1.27 0.00 0.02 0.00 0.00 176.35 177.23 1twi s GLU 373 N -3.12 4.49 0.46 0.00 2.56 -1.26 -4.93 118.70 116.90 1twi s GLU 373 Ca 0.01 1.45 0.13 0.00 0.00 0.00 0.00 54.97 56.57 1twi s GLU 373 Cb 0.04 -3.49 1.06 0.00 2.00 0.00 0.00 34.13 33.75 1twi s GLU 373 CO 0.12 -0.18 2.07 1.03 -0.56 0.00 0.00 175.26 177.74 1twi h SER 374 N 6.94 0.14 0.26 -1.70 0.87 -2.03 -0.06 113.55 117.98 1twi h SER 374 Ca -0.37 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1twi h SER 374 Cb 1.19 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1twi h SER 374 CO 0.80 0.16 0.00 -1.54 -0.53 0.00 0.00 176.83 175.72 1twi n SER 375 N -4.45 0.00 -4.06 6.23 3.41 -1.26 -4.44 113.62 109.05 1twi n SER 375 Ca -0.01 -0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 57.63 1twi n SER 375 Cb 0.13 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1twi n SER 375 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1twi n ASP 376 N -1.14 4.29 -3.78 4.04 2.03 -0.04 -3.85 116.55 118.10 1twi n ASP 376 Ca 0.18 -2.87 -0.18 0.00 0.52 0.00 0.00 54.79 52.44 1twi n ASP 376 Cb 0.16 -1.69 -0.17 0.00 -0.72 0.00 0.00 41.12 38.70 1twi n ASP 376 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1twi s VAL 377 N 3.59 0.12 -0.17 5.18 1.01 -1.26 -2.72 120.40 126.15 1twi s VAL 377 Ca 0.50 0.17 0.17 0.00 0.00 0.00 0.00 61.98 62.82 1twi s VAL 377 Cb 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 36.22 1twi s VAL 377 CO -0.02 0.16 1.17 -0.26 0.00 0.00 0.00 175.10 176.15 1twi h PHE 378 N 7.61 0.00 -1.39 5.22 0.04 -0.86 -3.39 116.94 124.16 1twi h PHE 378 Ca -0.34 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.58 1twi h PHE 378 Cb 1.13 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 39.04 1twi h PHE 378 CO 0.50 0.44 0.72 0.20 -0.60 0.00 0.00 178.31 179.57 1twi s GLY 379 N -4.56 -0.15 0.05 -1.45 0.00 -1.16 -4.68 107.32 95.38 1twi s GLY 379 Ca 0.01 2.26 0.08 0.00 0.00 0.00 0.00 44.72 47.07 1twi s GLY 379 CO 0.77 1.00 -0.22 0.50 0.00 0.00 0.00 173.10 175.14 1twi s ARG 380 N -1.25 1.46 -1.37 2.90 0.52 -1.26 -0.25 118.95 119.70 1twi s ARG 380 Ca 0.03 -1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 54.21 1twi s ARG 380 Cb -0.01 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.84 1twi s ARG 380 CO -0.03 0.41 0.56 -0.25 0.02 0.00 0.00 175.30 176.01 1twi n ASP 381 N 1.71 -0.81 -4.85 0.23 10.43 -1.10 -4.92 116.55 117.25 1twi n ASP 381 Ca -0.17 -0.92 -0.37 0.00 2.57 0.00 0.00 54.79 55.89 1twi n ASP 381 Cb 0.53 -3.50 -0.06 0.00 1.84 0.00 0.00 41.12 39.93 1twi n ASP 381 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1twi s ARG 382 N -6.31 3.66 -0.24 -1.24 1.81 0.95 -4.79 118.95 112.79 1twi s ARG 382 Ca 0.03 0.01 -0.22 0.00 -1.72 0.00 0.00 55.73 53.83 1twi s ARG 382 Cb -0.01 -3.23 -0.01 0.00 -0.45 0.00 0.00 34.95 31.24 1twi s ARG 382 CO 0.85 0.69 0.72 -2.00 -0.68 0.00 0.00 175.30 174.88 1twi s GLU 383 N -0.84 4.16 0.11 3.54 2.12 -1.26 -0.93 118.70 125.59 1twi s GLU 383 Ca 0.17 0.74 0.03 0.00 0.36 0.00 0.00 54.97 56.27 1twi s GLU 383 Cb -0.13 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1twi s GLU 383 CO 0.06 -0.44 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.75 1twi s LEU 384 N 2.57 2.49 0.37 2.70 1.43 -0.09 -4.94 118.68 123.19 1twi s LEU 384 Ca 0.31 -0.95 -0.28 0.00 -1.03 0.00 0.00 54.13 52.17 1twi s LEU 384 Cb -0.15 -0.21 -0.11 0.00 0.03 0.00 0.00 46.19 45.75 1twi s LEU 384 CO 0.08 -0.37 1.50 -1.81 0.23 0.00 0.00 176.35 175.98 1twi s ASP 385 N -2.91 6.34 -0.37 2.29 1.11 -1.26 -1.50 116.67 120.37 1twi s ASP 385 Ca 0.11 3.04 -0.35 0.00 0.18 0.00 0.00 52.55 55.54 1twi s ASP 385 Cb 0.02 -2.66 -0.15 0.00 1.07 0.00 0.00 42.92 41.20 1twi s ASP 385 CO -0.02 -0.88 1.26 1.17 1.18 0.00 0.00 175.17 177.88 1twi n LYS 386 N 0.66 0.00 -3.14 8.23 3.00 0.03 -4.75 118.16 122.19 1twi n LYS 386 Ca 0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.94 1twi n LYS 386 Cb 0.39 -1.12 -0.05 0.00 0.00 0.00 0.00 35.03 34.25 1twi n LYS 386 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1twi s VAL 387 N 2.61 5.09 0.16 3.15 1.01 -1.26 -4.92 120.40 126.23 1twi s VAL 387 Ca 0.80 1.24 0.11 0.00 0.00 0.00 0.00 61.98 64.13 1twi s VAL 387 Cb -1.12 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 31.27 1twi s VAL 387 CO 0.59 0.25 -0.24 -1.61 0.00 0.00 0.00 175.10 174.09 1twi s GLU 388 N 0.95 1.40 0.28 2.72 2.02 -1.26 -5.06 118.70 119.75 1twi s GLU 388 Ca 0.32 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.60 1twi s GLU 388 Cb -0.16 -1.75 -0.12 0.00 0.10 0.00 0.00 34.13 32.19 1twi s GLU 388 CO 0.14 0.39 1.54 0.28 0.02 0.00 0.00 175.26 177.63 1twi n VAL 389 N 0.58 1.04 0.00 2.63 0.31 -1.26 -1.31 118.33 120.32 1twi n VAL 389 Ca -0.15 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1twi n VAL 389 Cb 0.55 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1twi n VAL 389 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1twi n GLY 390 N 2.11 2.61 3.76 2.92 0.00 0.24 -5.00 105.19 111.82 1twi n GLY 390 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1twi n GLY 390 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1twi s ASP 391 N -1.29 4.30 -0.15 1.61 1.01 -0.43 -4.73 116.67 117.00 1twi s ASP 391 Ca 0.00 1.66 0.00 0.00 0.71 0.00 0.00 52.55 54.92 1twi s ASP 391 Cb 0.00 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 1twi s ASP 391 CO 0.00 -2.14 -0.15 -0.69 0.21 0.00 0.00 175.17 172.41 1twi s VAL 392 N -2.95 2.76 0.03 -1.27 1.01 -1.26 -0.89 120.40 117.82 1twi s VAL 392 Ca 0.61 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1twi s VAL 392 Cb -0.17 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1twi s VAL 392 CO 0.56 0.52 0.17 -0.76 0.00 0.00 0.00 175.10 175.58 1twi s LEU 393 N 0.70 4.22 -0.14 3.92 1.43 0.17 -0.86 118.68 128.12 1twi s LEU 393 Ca -0.07 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1twi s LEU 393 Cb -0.16 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 1twi s LEU 393 CO 0.02 0.21 -0.12 0.00 0.23 0.00 0.00 176.35 176.69 1twi s ALA 394 N -1.39 2.64 -0.26 4.21 0.00 -0.29 -1.26 121.76 125.40 1twi s ALA 394 Ca 0.30 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 1twi s ALA 394 Cb -0.13 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1twi s ALA 394 CO 0.22 0.17 0.10 0.42 0.00 0.00 0.00 175.76 176.67 1twi s ILE 395 N 0.47 4.50 0.57 0.00 1.01 0.38 -1.86 121.20 126.27 1twi s ILE 395 Ca -0.09 -0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 1twi s ILE 395 Cb -0.16 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1twi s ILE 395 CO 0.04 0.30 1.02 -0.36 0.00 0.00 0.00 174.94 175.94 1twi s PHE 396 N 1.64 3.36 -1.08 3.97 0.40 0.03 -1.11 117.98 125.19 1twi s PHE 396 Ca 0.06 1.43 -0.01 0.00 -0.60 0.00 0.00 56.93 57.82 1twi s PHE 396 Cb -0.15 -2.83 -0.01 0.00 0.51 0.00 0.00 43.02 40.54 1twi s PHE 396 CO 0.05 -0.68 0.90 -0.25 0.70 0.00 0.00 175.22 175.94 1twi n ASP 397 N -2.10 -2.55 -0.59 1.36 8.00 -0.65 -4.48 116.55 115.54 1twi n ASP 397 Ca 0.07 -0.57 0.07 0.00 0.71 0.00 0.00 54.79 55.07 1twi n ASP 397 Cb 0.54 -4.73 0.19 0.00 -0.02 0.00 0.00 41.12 37.10 1twi n ASP 397 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1twi n VAL 398 N -3.76 1.83 0.31 2.53 0.24 -0.39 -4.66 118.33 114.43 1twi n VAL 398 Ca -0.24 -1.70 0.16 0.00 -2.04 0.00 0.00 64.34 60.52 1twi n VAL 398 Cb 0.65 -0.03 0.69 0.00 -1.47 0.00 0.00 33.84 33.68 1twi n VAL 398 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1twi h GLY 399 N 1.31 0.00 -5.03 7.63 0.00 -1.33 -3.35 103.07 102.30 1twi h GLY 399 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1twi h GLY 399 CO 0.11 0.00 -0.88 0.00 0.00 0.00 0.00 176.54 175.77 1twi s ALA 400 N -3.62 2.07 -1.48 3.60 0.00 -1.26 -4.50 121.76 116.58 1twi s ALA 400 Ca 0.01 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 1twi s ALA 400 Cb 0.09 -0.66 0.06 0.00 0.00 0.00 0.00 23.12 22.61 1twi s ALA 400 CO 0.47 0.39 0.93 0.66 0.00 0.00 0.00 175.76 178.20 1twi n TYR 401 N 3.02 -2.33 0.00 0.00 4.01 -0.34 -4.88 117.16 116.63 1twi n TYR 401 Ca -0.18 0.83 0.00 0.00 -0.16 0.00 0.00 57.90 58.40 1twi n TYR 401 Cb 0.52 -4.15 0.00 0.00 -0.31 0.00 0.00 39.34 35.40 1twi n TYR 401 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1twi n GLY 402 N -1.68 0.22 0.23 2.72 0.00 -1.26 -4.58 105.19 100.84 1twi n GLY 402 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1twi n GLY 402 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1twi h ILE 403 N 0.00 1.04 0.00 -0.61 6.09 -1.77 -2.11 117.51 120.14 1twi h ILE 403 Ca 0.00 -0.61 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 1twi h ILE 403 Cb 0.00 1.34 0.00 0.00 0.47 0.00 0.00 36.82 38.63 1twi h ILE 403 CO 0.00 0.17 0.00 0.77 -3.07 0.00 0.00 178.15 176.02 1twi h SER 404 N 0.00 0.00 -0.16 2.19 4.64 -1.86 -1.61 113.55 116.76 1twi h SER 404 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1twi h SER 404 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1twi h SER 404 CO 0.02 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.21 1twi n MET 405 N -2.88 2.29 -1.34 4.77 2.81 -0.83 -5.03 117.12 116.91 1twi n MET 405 Ca -0.01 -1.61 -0.34 0.00 -1.81 0.00 0.00 57.70 53.93 1twi n MET 405 Cb 0.16 -1.14 0.10 0.00 -0.71 0.00 0.00 33.22 31.63 1twi n MET 405 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1twi s ALA 406 N -0.90 2.05 0.06 3.04 0.00 -0.61 -4.76 121.76 120.63 1twi s ALA 406 Ca 0.12 0.82 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 1twi s ALA 406 Cb 0.06 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1twi s ALA 406 CO 0.09 -1.98 0.08 0.27 0.00 0.00 0.00 175.76 174.22 1twi n ASN 407 N -2.94 -0.23 -1.26 0.00 6.94 0.63 -5.02 115.26 113.37 1twi n ASN 407 Ca 0.13 -1.30 0.05 0.00 -0.02 0.00 0.00 54.58 53.44 1twi n ASN 407 Cb 0.51 0.43 0.29 0.00 -2.36 0.00 0.00 39.78 38.64 1twi n ASN 407 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1twi n ASN 408 N -1.97 4.20 -4.62 0.53 3.02 -1.26 -4.57 115.26 110.58 1twi n ASN 408 Ca -0.00 -3.12 -0.46 0.00 -0.03 0.00 0.00 54.58 50.97 1twi n ASN 408 Cb 0.09 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.63 1twi n ASN 408 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1twi n TYR 409 N -0.34 1.67 -1.44 3.10 9.36 -1.26 -0.19 117.16 128.05 1twi n TYR 409 Ca 0.27 0.59 -0.08 0.00 3.32 0.00 0.00 57.90 61.99 1twi n TYR 409 Cb 1.04 -2.35 -0.03 0.00 -0.63 0.00 0.00 39.34 37.38 1twi n TYR 409 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1twi n ASN 410 N 1.81 -3.78 -3.69 2.98 4.13 -1.26 -3.68 115.26 111.78 1twi n ASN 410 Ca 0.12 0.16 -0.26 0.00 1.68 0.00 0.00 54.58 56.28 1twi n ASN 410 Cb 0.29 -2.25 0.03 0.00 -1.54 0.00 0.00 39.78 36.31 1twi n ASN 410 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1twi n ALA 411 N 0.59 -2.30 -3.06 5.41 0.00 0.73 -5.00 120.51 116.88 1twi n ALA 411 Ca -0.09 -0.18 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 1twi n ALA 411 Cb 0.34 -3.24 -0.16 0.00 0.00 0.00 0.00 19.45 16.40 1twi n ALA 411 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1twi s ARG 412 N -5.91 3.03 0.56 0.00 0.52 -1.01 -5.07 118.95 111.07 1twi s ARG 412 Ca 0.26 -0.82 -0.20 0.00 -0.52 0.00 0.00 55.73 54.45 1twi s ARG 412 Cb -0.08 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 1twi s ARG 412 CO 0.84 0.25 1.19 0.20 0.02 0.00 0.00 175.30 177.79 1twi s GLY 413 N 0.20 2.72 0.46 -3.53 0.00 -1.26 -4.26 107.32 101.65 1twi s GLY 413 Ca -0.13 0.96 -0.23 0.00 0.00 0.00 0.00 44.72 45.32 1twi s GLY 413 CO 0.07 1.36 1.18 0.50 0.00 0.00 0.00 173.10 176.20 1twi s ARG 414 N -3.22 3.75 0.82 2.90 0.52 -1.26 -4.75 118.95 117.72 1twi s ARG 414 Ca 0.74 1.81 -0.12 0.00 -0.52 0.00 0.00 55.73 57.64 1twi s ARG 414 Cb -0.29 -2.43 0.08 0.00 0.52 0.00 0.00 34.95 32.84 1twi s ARG 414 CO 0.32 -0.56 1.10 -1.25 0.02 0.00 0.00 175.30 174.92 1twi s PRO 415 N -2.67 1.87 0.72 3.54 0.04 -1.26 -2.00 135.00 135.24 1twi s PRO 415 Ca 0.63 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.22 1twi s PRO 415 Cb -0.29 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1twi s PRO 415 CO 0.36 -1.77 1.07 1.03 0.04 0.00 0.00 177.00 177.73 1twi s ARG 416 N -5.12 2.68 -0.02 4.56 0.52 -1.26 -4.51 118.95 115.81 1twi s ARG 416 Ca 0.61 1.05 -0.02 0.00 -0.52 0.00 0.00 55.73 56.85 1twi s ARG 416 Cb -0.15 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1twi s ARG 416 CO 0.55 -1.30 0.05 -1.64 0.02 0.00 0.00 175.30 172.97 1twi s MET 417 N -4.96 0.08 0.21 3.54 -1.94 -0.77 -2.14 119.30 113.32 1twi s MET 417 Ca 0.59 0.04 0.09 0.00 -1.71 0.00 0.00 55.69 54.71 1twi s MET 417 Cb -0.15 0.04 -0.05 0.00 2.01 0.00 0.00 34.83 36.68 1twi s MET 417 CO 0.55 -0.01 -0.17 0.14 -0.01 0.00 0.00 175.02 175.51 1twi s VAL 418 N -0.04 1.99 -0.18 -6.03 -7.23 -0.17 -0.23 120.40 108.51 1twi s VAL 418 Ca -0.01 -2.18 -0.02 0.00 -1.81 0.00 0.00 61.98 57.97 1twi s VAL 418 Cb -0.01 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 1twi s VAL 418 CO 0.00 -0.44 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.03 1twi s LEU 419 N -3.16 2.72 -0.16 1.32 2.96 0.99 -0.69 118.68 122.66 1twi s LEU 419 Ca 0.23 -0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 1twi s LEU 419 Cb -0.04 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1twi s LEU 419 CO 0.09 0.06 0.21 0.42 -1.32 0.00 0.00 176.35 175.81 1twi s THR 420 N 0.99 5.36 0.09 3.68 -4.23 -0.33 -0.20 115.64 120.99 1twi s THR 420 Ca -0.01 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 60.78 1twi s THR 420 Cb -0.15 -3.54 -0.00 0.00 1.34 0.00 0.00 72.50 70.15 1twi s THR 420 CO -0.01 0.45 0.19 -0.55 -0.54 0.00 0.00 174.62 174.16 1twi s SER 421 N 0.14 0.13 0.56 3.99 0.15 -0.62 -1.12 113.70 116.92 1twi s SER 421 Ca 0.13 -0.67 0.24 0.00 0.70 0.00 0.00 55.95 56.36 1twi s SER 421 Cb -0.12 0.34 1.61 0.00 -1.71 0.00 0.00 66.02 66.13 1twi s SER 421 CO 0.02 -0.73 2.21 0.11 1.20 0.00 0.00 173.24 176.05 1twi h LYS 422 N 2.75 0.00 0.00 5.44 1.57 -1.97 -2.03 116.57 122.33 1twi h LYS 422 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1twi h LYS 422 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1twi h LYS 422 CO 0.56 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 180.31 1twi h LYS 423 N 0.00 0.00 0.00 3.15 1.79 -1.99 -3.49 116.57 116.03 1twi h LYS 423 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1twi h LYS 423 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1twi h LYS 423 CO -0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1twi n GLY 424 N 0.61 0.59 3.50 3.86 0.00 -0.76 -5.07 105.19 107.92 1twi n GLY 424 Ca 0.03 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 1twi n GLY 424 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twi s VAL 425 N -1.87 3.93 -0.03 1.61 1.01 -1.26 -1.59 120.40 122.20 1twi s VAL 425 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.70 1twi s VAL 425 Cb 0.00 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1twi s VAL 425 CO 0.00 0.49 -0.21 -0.36 0.00 0.00 0.00 175.10 175.01 1twi s PHE 426 N 0.40 1.97 -0.09 5.22 0.40 0.72 -4.93 117.98 121.66 1twi s PHE 426 Ca -0.04 -0.44 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 1twi s PHE 426 Cb -0.14 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 1twi s PHE 426 CO 0.03 -0.08 1.41 -1.17 0.70 0.00 0.00 175.22 176.11 1twi s LEU 427 N -0.37 4.26 0.00 -0.37 2.96 -1.26 -0.01 118.68 123.89 1twi s LEU 427 Ca 0.05 1.95 0.07 0.00 -0.22 0.00 0.00 54.13 55.98 1twi s LEU 427 Cb -0.10 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1twi s LEU 427 CO 0.00 -0.80 0.48 2.30 -1.32 0.00 0.00 176.35 177.02 1twi n ILE 428 N 5.24 0.00 -3.71 6.68 -5.35 0.69 -4.90 119.36 118.00 1twi n ILE 428 Ca 0.15 -0.41 -0.12 0.00 -0.27 0.00 0.00 62.75 62.09 1twi n ILE 428 Cb 0.44 1.07 -0.13 0.00 -1.74 0.00 0.00 39.64 39.28 1twi n ILE 428 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1twi s ARG 429 N -1.17 0.21 0.40 6.28 3.52 -0.69 -4.77 118.95 122.74 1twi s ARG 429 Ca 0.05 0.61 -0.09 0.00 -0.13 0.00 0.00 55.73 56.17 1twi s ARG 429 Cb 0.05 -0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 33.30 1twi s ARG 429 CO 0.19 -0.19 0.74 -2.00 -0.81 0.00 0.00 175.30 173.23 1twi s GLU 430 N 1.52 3.73 0.72 5.12 2.56 -1.26 -1.85 118.70 129.24 1twi s GLU 430 Ca -0.07 0.38 -0.10 0.00 0.00 0.00 0.00 54.97 55.17 1twi s GLU 430 Cb -0.11 -2.42 0.04 0.00 2.00 0.00 0.00 34.13 33.64 1twi s GLU 430 CO -0.09 -0.02 1.08 -0.98 -0.56 0.00 0.00 175.26 174.69 1twi s ARG 431 N -3.90 2.52 -0.07 4.30 1.70 -1.26 -4.57 118.95 117.66 1twi s ARG 431 Ca 0.50 0.18 -0.12 0.00 -0.47 0.00 0.00 55.73 55.82 1twi s ARG 431 Cb -0.10 -2.06 -0.05 0.00 -0.57 0.00 0.00 34.95 32.16 1twi s ARG 431 CO 0.33 -1.17 0.30 -1.21 -1.08 0.00 0.00 175.30 172.47 1twi s GLU 432 N -5.35 3.87 0.62 3.89 2.02 -0.85 -4.97 118.70 117.93 1twi s GLU 432 Ca 0.59 0.18 0.02 0.00 0.02 0.00 0.00 54.97 55.78 1twi s GLU 432 Cb -0.11 -3.26 0.08 0.00 0.10 0.00 0.00 34.13 30.93 1twi s GLU 432 CO 0.49 0.60 0.86 0.95 0.02 0.00 0.00 175.26 178.17 1twi s THR 433 N -0.67 2.41 0.35 3.63 -4.23 -1.26 -4.43 115.64 111.44 1twi s THR 433 Ca 0.20 -0.69 0.05 0.00 -1.18 0.00 0.00 61.69 60.07 1twi s THR 433 Cb -0.14 -2.71 0.30 0.00 1.34 0.00 0.00 72.50 71.28 1twi s THR 433 CO 0.08 0.00 1.93 1.88 -0.54 0.00 0.00 174.62 177.97 1twi h TYR 434 N -0.13 0.83 -0.20 3.99 0.05 -1.98 -0.71 116.97 118.82 1twi h TYR 434 Ca -0.38 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.37 1twi h TYR 434 Cb 1.28 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 1twi h TYR 434 CO 0.15 0.41 -0.11 0.00 -1.05 0.00 0.00 178.16 177.56 1twi h ALA 435 N 1.58 1.45 0.00 3.88 0.00 -2.00 -1.95 119.26 122.23 1twi h ALA 435 Ca 0.36 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1twi h ALA 435 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1twi h ALA 435 CO -0.13 0.38 -0.42 -0.44 0.00 0.00 0.00 179.25 178.64 1twi h ASP 436 N 0.30 0.00 -0.73 0.00 3.32 -1.49 -2.90 116.42 114.92 1twi h ASP 436 Ca 0.06 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.16 1twi h ASP 436 Cb 0.38 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 1twi h ASP 436 CO 0.02 0.42 0.48 -0.07 -1.72 0.00 0.00 179.24 178.37 1twi h LEU 437 N 0.00 0.70 -3.16 1.55 3.38 -1.07 -2.47 115.31 114.24 1twi h LEU 437 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1twi h LEU 437 Cb 0.78 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1twi h LEU 437 CO 0.06 0.46 0.00 2.30 0.09 0.00 0.00 178.44 181.35 1twi n ILE 438 N -4.47 1.90 0.73 1.22 -5.35 -1.18 -4.69 119.36 107.51 1twi n ILE 438 Ca 0.10 -1.49 0.09 0.00 -0.27 0.00 0.00 62.75 61.18 1twi n ILE 438 Cb 0.19 0.02 0.41 0.00 -1.74 0.00 0.00 39.64 38.52 1twi n ILE 438 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1twi n ALA 439 N 0.13 1.88 0.33 -1.28 0.00 -0.93 -1.73 120.51 118.91 1twi n ALA 439 Ca 0.20 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.62 1twi n ALA 439 Cb 0.79 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 19.03 1twi n ALA 439 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1twi n LYS 440 N -1.38 1.12 -3.43 0.00 4.76 -1.26 -5.02 118.16 112.94 1twi n LYS 440 Ca 0.06 -1.39 -0.38 0.00 -2.87 0.00 0.00 58.31 53.74 1twi n LYS 440 Cb 0.17 -1.23 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 1twi n LYS 440 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1twi s ASP 441 N -0.97 6.85 -0.09 4.39 1.01 -0.71 -5.08 116.67 122.07 1twi s ASP 441 Ca 0.16 1.01 -0.00 0.00 0.71 0.00 0.00 52.55 54.42 1twi s ASP 441 Cb 0.10 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.78 1twi s ASP 441 CO 0.15 0.28 -0.05 -0.63 0.21 0.00 0.00 175.17 175.12 1twi s ILE 442 N -0.88 0.81 -0.12 0.77 1.09 -1.26 -5.06 121.20 116.55 1twi s ILE 442 Ca 0.25 -0.17 -0.25 0.00 -1.10 0.00 0.00 60.65 59.38 1twi s ILE 442 Cb -0.17 -0.87 -0.02 0.00 -1.06 0.00 0.00 42.46 40.34 1twi s ILE 442 CO 0.14 0.33 0.79 -0.69 -0.10 0.00 0.00 174.94 175.41 1twi s VAL 443 N 1.67 4.94 0.70 2.92 1.01 -1.26 -5.05 120.40 125.33 1twi s VAL 443 Ca 0.03 1.59 -0.14 0.00 0.00 0.00 0.00 61.98 63.46 1twi s VAL 443 Cb -0.13 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.16 1twi s VAL 443 CO -0.06 0.12 1.11 -2.84 0.00 0.00 0.00 175.10 173.42 1twi s PRO 444 N 1.59 2.61 0.26 2.72 0.02 -1.26 -4.84 135.00 136.10 1twi s PRO 444 Ca 0.39 1.33 -0.01 0.00 0.02 0.00 0.00 61.00 62.73 1twi s PRO 444 Cb -0.17 -1.93 0.54 0.00 0.02 0.00 0.00 34.50 32.95 1twi s PRO 444 CO 0.16 -1.39 1.74 -1.35 -0.33 0.00 0.00 177.00 175.83 1twi h PRO 445 N -0.33 0.49 0.00 5.54 0.11 -1.98 -0.75 132.00 135.08 1twi h PRO 445 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1twi h PRO 445 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1twi h PRO 445 CO 0.53 0.33 0.00 -2.39 -0.21 0.00 0.00 178.00 176.26 1twi n HIS 446 N -4.96 0.00 0.34 0.65 1.44 -1.26 -2.25 115.22 109.18 1twi n HIS 446 Ca 0.17 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.94 1twi n HIS 446 Cb 0.47 -0.34 0.09 0.00 0.12 0.00 0.00 29.99 30.32 1twi n HIS 446 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1twi n LEU 447 N -1.34 2.37 0.00 2.39 4.77 -0.30 -5.27 117.00 119.62 1twi n LEU 447 Ca 0.08 -1.28 0.11 0.00 -0.03 0.00 0.00 56.01 54.89 1twi n LEU 447 Cb 0.17 -0.08 0.67 0.00 -2.33 0.00 0.00 43.42 41.85 1twi n LEU 447 CO 0.15 0.49 0.85 0.18 -1.33 0.00 0.00 177.39 177.74