#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 2.76 0.00 3.17 7.94 -1.26 -1.00 117.00 128.62 1twi n LEU 16 Ca 0.00 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 1twi n LEU 16 Cb 0.00 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 42.70 1twi n LEU 16 CO 0.00 -0.34 0.00 0.61 -1.11 0.00 0.00 177.39 176.55 1twi n GLY 17 N 4.05 3.12 3.32 -3.96 0.00 -1.26 -4.80 105.19 105.66 1twi n GLY 17 Ca 0.24 0.00 -0.44 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 0.15 5.52 0.09 1.61 3.02 -0.17 -4.84 115.26 120.65 1twi n ASN 18 Ca 0.00 -3.07 0.12 0.00 -0.03 0.00 0.00 54.58 51.60 1twi n ASN 18 Cb 0.00 -1.42 0.45 0.00 -0.61 0.00 0.00 39.78 38.20 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 3.36 0.56 -0.21 6.41 8.00 -1.26 -3.62 116.55 129.79 1twi n ASP 19 Ca 0.28 0.60 0.05 0.00 0.71 0.00 0.00 54.79 56.44 1twi n ASP 19 Cb 0.39 -0.73 0.10 0.00 -0.02 0.00 0.00 41.12 40.85 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 -2.08 1.44 -4.32 -3.53 -2.24 -1.26 -5.01 114.28 97.27 1twi n THR 20 Ca 0.04 -1.51 -0.24 0.00 -2.27 0.00 0.00 64.05 60.06 1twi n THR 20 Cb 0.29 0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.82 2.78 0.08 2.28 -7.23 -1.24 -1.16 120.40 114.09 1twi s VAL 21 Ca 0.18 -1.98 -0.27 0.00 -1.81 0.00 0.00 61.98 58.10 1twi s VAL 21 Cb 0.15 -2.78 0.08 0.00 0.56 0.00 0.00 36.38 34.40 1twi s VAL 21 CO 0.04 -0.24 1.01 -1.83 -0.31 0.00 0.00 175.10 173.76 1twi s GLU 22 N -3.70 0.95 -0.31 4.82 -1.05 -0.47 -4.99 118.70 113.95 1twi s GLU 22 Ca 0.34 -0.49 -0.11 0.00 -0.15 0.00 0.00 54.97 54.56 1twi s GLU 22 Cb -0.02 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.00 1twi s GLU 22 CO 0.19 -0.43 0.19 0.42 0.95 0.00 0.00 175.26 176.58 1twi s ILE 23 N -3.08 5.00 -0.08 1.83 -1.09 -1.26 -0.53 121.20 121.99 1twi s ILE 23 Ca 0.11 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.39 1twi s ILE 23 Cb -0.00 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1twi s ILE 23 CO -0.01 0.10 -0.23 -0.54 -1.23 0.00 0.00 174.94 173.03 1twi s LYS 24 N 1.69 2.83 -1.28 2.79 1.02 0.37 -4.78 119.74 122.38 1twi s LYS 24 Ca 0.06 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 1twi s LYS 24 Cb -0.17 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1twi s LYS 24 CO 0.09 0.30 0.06 -0.40 -0.92 0.00 0.00 175.35 174.48 1twi n ASP 25 N 3.20 0.33 -0.00 2.83 5.68 -1.26 -1.22 116.55 126.11 1twi n ASP 25 Ca -0.18 -1.08 -0.00 0.00 -0.50 0.00 0.00 54.79 53.03 1twi n ASP 25 Cb 0.52 -1.34 -0.00 0.00 -1.14 0.00 0.00 41.12 39.16 1twi n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1twi n GLY 26 N -2.30 0.37 3.17 6.12 0.00 -1.26 -5.01 105.19 106.29 1twi n GLY 26 Ca -0.26 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.55 0.84 0.10 1.61 0.52 -0.36 -0.45 118.95 120.66 1twi s ARG 27 Ca 0.00 -1.18 -0.28 0.00 -0.52 0.00 0.00 55.73 53.75 1twi s ARG 27 Cb 0.00 -0.47 -0.06 0.00 0.52 0.00 0.00 34.95 34.94 1twi s ARG 27 CO 0.00 0.06 0.88 0.12 0.02 0.00 0.00 175.30 176.38 1twi s PHE 28 N -2.61 3.80 0.05 -0.53 5.36 -0.07 -0.48 117.98 123.49 1twi s PHE 28 Ca 0.06 1.68 0.06 0.00 -0.96 0.00 0.00 56.93 57.77 1twi s PHE 28 Cb -0.02 -2.95 -0.02 0.00 -0.34 0.00 0.00 43.02 39.69 1twi s PHE 28 CO -0.01 0.26 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.79 1twi s PHE 29 N -0.14 1.38 -0.16 10.12 0.40 0.31 -1.22 117.98 128.67 1twi s PHE 29 Ca 0.43 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.39 1twi s PHE 29 Cb -0.22 -0.81 0.04 0.00 0.51 0.00 0.00 43.02 42.53 1twi s PHE 29 CO 0.27 0.06 -0.06 0.42 0.70 0.00 0.00 175.22 176.61 1twi s ILE 30 N -0.89 1.17 -1.58 0.64 1.01 0.02 -1.36 121.20 120.21 1twi s ILE 30 Ca 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1twi s ILE 30 Cb -0.08 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1twi s ILE 30 CO 0.02 0.18 0.06 0.47 0.00 0.00 0.00 174.94 175.66 1twi n ASP 31 N 4.86 -5.41 0.00 3.58 8.00 -0.31 -0.84 116.55 126.43 1twi n ASP 31 Ca -0.12 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1twi n ASP 31 Cb 0.48 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 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 -1.01 0.80 3.70 0.44 0.00 -1.26 -4.89 105.19 102.97 1twi n GLY 32 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.08 3.33 -0.08 1.61 2.02 -0.02 -5.05 117.35 116.09 1twi s TYR 33 Ca 0.00 0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.62 1twi s TYR 33 Cb 0.00 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.46 1twi s TYR 33 CO 0.00 0.31 1.63 0.34 -1.57 0.00 0.00 175.55 176.26 1twi s ASP 34 N 0.03 6.65 0.20 2.29 -1.08 -1.26 -0.80 116.67 122.70 1twi s ASP 34 Ca 0.07 2.15 -0.08 0.00 -0.52 0.00 0.00 52.55 54.17 1twi s ASP 34 Cb -0.12 -2.53 0.13 0.00 -1.46 0.00 0.00 42.92 38.94 1twi s ASP 34 CO 0.00 -0.96 1.69 0.00 0.52 0.00 0.00 175.17 176.42 1twi h ALA 35 N 9.63 0.91 -0.75 3.66 0.00 -1.53 -1.07 119.26 130.12 1twi h ALA 35 Ca -0.38 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 1twi h ALA 35 Cb 1.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1twi h ALA 35 CO 0.96 0.66 0.28 0.82 0.00 0.00 0.00 179.25 181.97 1twi h ILE 36 N 0.98 1.26 -0.16 0.00 2.04 -1.91 -0.54 117.51 119.18 1twi h ILE 36 Ca 0.19 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 65.14 1twi h ILE 36 Cb 0.48 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1twi h ILE 36 CO 0.02 0.33 -0.27 -0.33 0.00 0.00 0.00 178.15 177.90 1twi h GLU 37 N 1.09 0.29 -0.42 2.37 5.08 -1.83 0.38 114.58 121.54 1twi h GLU 37 Ca 0.25 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1twi h GLU 37 Cb 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1twi h GLU 37 CO -0.02 0.54 0.07 -0.07 -1.00 0.00 0.00 179.01 178.54 1twi h LEU 38 N 0.26 0.66 -1.04 1.33 3.38 -0.24 -0.17 115.31 119.49 1twi h LEU 38 Ca 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1twi h LEU 38 Cb 0.62 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1twi h LEU 38 CO 0.04 0.75 0.49 0.00 0.09 0.00 0.00 178.44 179.81 1twi h ALA 39 N 0.94 1.28 -0.23 1.53 0.00 -0.52 -0.99 119.26 121.27 1twi h ALA 39 Ca 0.13 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1twi h ALA 39 Cb 0.37 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1twi h ALA 39 CO 0.01 0.61 -0.19 0.93 0.00 0.00 0.00 179.25 180.61 1twi h GLU 40 N 1.16 0.54 -0.30 0.00 5.08 -0.71 0.15 114.58 120.51 1twi h GLU 40 Ca 0.30 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1twi h GLU 40 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1twi h GLU 40 CO -0.05 0.84 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.44 1twi h LYS 41 N 0.24 0.62 0.00 2.33 3.64 -0.85 -3.35 116.57 119.19 1twi h LYS 41 Ca 0.04 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1twi h LYS 41 Cb 0.73 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1twi h LYS 41 CO 0.05 0.85 -1.27 1.19 -2.27 0.00 0.00 179.45 178.00 1twi n PHE 42 N -4.40 0.00 0.00 1.91 3.72 -0.39 -5.10 117.46 113.20 1twi n PHE 42 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1twi n PHE 42 Cb 0.37 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 1.43 -0.31 3.28 1.37 0.00 0.04 -4.98 105.19 106.02 1twi n GLY 43 Ca 0.02 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.50 1.56 0.61 2.61 -4.23 -1.26 -4.28 115.64 108.16 1twi s THR 44 Ca 0.00 -1.80 -0.17 0.00 -1.18 0.00 0.00 61.69 58.54 1twi s THR 44 Cb 0.00 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 72.14 1twi s THR 44 CO 0.00 -0.36 1.13 -2.16 -0.54 0.00 0.00 174.62 172.69 1twi s PRO 45 N -2.70 2.98 -0.07 3.99 0.04 -1.26 -4.96 135.00 133.02 1twi s PRO 45 Ca 0.12 1.54 -0.03 0.00 0.04 0.00 0.00 61.00 62.67 1twi s PRO 45 Cb -0.05 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1twi s PRO 45 CO 0.05 -1.13 0.14 -1.17 0.04 0.00 0.00 177.00 174.92 1twi s LEU 46 N -4.41 0.25 0.09 -3.56 2.96 -0.18 -4.08 118.68 109.75 1twi s LEU 46 Ca 0.71 0.29 -0.26 0.00 -0.22 0.00 0.00 54.13 54.64 1twi s LEU 46 Cb -0.23 0.25 -0.06 0.00 0.50 0.00 0.00 46.19 46.65 1twi s LEU 46 CO 0.35 -0.21 0.82 -0.31 -1.32 0.00 0.00 176.35 175.69 1twi s TYR 47 N 1.87 3.79 -0.14 5.38 2.02 -0.68 -0.69 117.35 128.89 1twi s TYR 47 Ca -0.01 1.60 0.02 0.00 -0.37 0.00 0.00 57.07 58.30 1twi s TYR 47 Cb -0.12 -2.87 0.01 0.00 -0.40 0.00 0.00 41.96 38.58 1twi s TYR 47 CO -0.05 0.31 -0.20 0.08 -1.57 0.00 0.00 175.55 174.11 1twi s VAL 48 N -0.27 1.93 -0.18 0.71 1.01 0.46 -0.88 120.40 123.18 1twi s VAL 48 Ca 0.40 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1twi s VAL 48 Cb -0.22 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1twi s VAL 48 CO 0.25 0.52 -0.04 -0.04 0.00 0.00 0.00 175.10 175.80 1twi s MET 49 N 0.94 3.56 -0.44 2.72 -1.94 0.10 -1.07 119.30 123.17 1twi s MET 49 Ca -0.05 -0.56 -0.25 0.00 -1.71 0.00 0.00 55.69 53.12 1twi s MET 49 Cb -0.15 -2.95 0.02 0.00 2.01 0.00 0.00 34.83 33.76 1twi s MET 49 CO -0.04 0.07 0.90 0.45 -0.01 0.00 0.00 175.02 176.40 1twi s SER 50 N 0.80 6.52 0.17 3.03 0.15 0.12 -0.87 113.70 123.62 1twi s SER 50 Ca -0.01 0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.71 1twi s SER 50 Cb -0.15 -2.44 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 1twi s SER 50 CO 0.02 -0.99 1.69 -0.08 1.20 0.00 0.00 173.24 175.08 1twi h GLU 51 N 8.94 0.94 -0.57 5.44 4.81 -1.52 -2.43 114.58 130.20 1twi h GLU 51 Ca -0.24 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 58.75 1twi h GLU 51 Cb 1.08 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 1twi h GLU 51 CO 1.01 0.86 0.24 0.93 -0.73 0.00 0.00 179.01 181.31 1twi h GLU 52 N 0.85 0.81 -0.60 1.92 4.39 -1.93 -1.08 114.58 118.95 1twi h GLU 52 Ca 0.19 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 1twi h GLU 52 Cb 0.33 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1twi h GLU 52 CO -0.00 0.66 0.02 0.37 -1.16 0.00 0.00 179.01 178.90 1twi h GLN 53 N 0.81 1.04 -0.60 2.33 5.75 -1.84 -0.35 115.11 122.24 1twi h GLN 53 Ca 0.20 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1twi h GLN 53 Cb 0.13 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 1twi h GLN 53 CO -0.02 1.01 0.38 0.82 -2.65 0.00 0.00 178.83 178.37 1twi h ILE 54 N 0.94 1.17 -0.67 2.39 2.04 -0.98 -0.29 117.51 122.11 1twi h ILE 54 Ca 0.17 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1twi h ILE 54 Cb 0.53 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1twi h ILE 54 CO 0.03 0.17 0.44 0.11 0.00 0.00 0.00 178.15 178.90 1twi h LYS 55 N 0.81 0.87 -0.60 2.37 1.57 -0.79 -0.40 116.57 120.41 1twi h LYS 55 Ca 0.22 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1twi h LYS 55 Cb -0.05 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1twi h LYS 55 CO -0.04 0.58 0.39 0.82 -0.57 0.00 0.00 179.45 180.63 1twi h ILE 56 N 0.90 1.16 -0.52 1.86 2.04 -0.61 -0.24 117.51 122.11 1twi h ILE 56 Ca 0.25 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 1twi h ILE 56 Cb -0.10 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1twi h ILE 56 CO -0.06 0.15 -0.07 0.78 0.00 0.00 0.00 178.15 178.95 1twi h ASN 57 N 0.81 0.96 -0.06 1.72 2.35 -0.55 -0.35 115.58 120.47 1twi h ASN 57 Ca 0.22 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1twi h ASN 57 Cb -0.08 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.02 1twi h ASN 57 CO -0.05 1.07 0.01 0.22 -1.65 0.00 0.00 177.43 177.03 1twi h TYR 58 N 0.83 0.10 -0.71 1.19 3.20 -0.97 -2.97 116.97 117.64 1twi h TYR 58 Ca 0.14 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.07 1twi h TYR 58 Cb 0.63 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 1twi h TYR 58 CO 0.05 0.33 0.47 -0.91 -1.64 0.00 0.00 178.16 176.45 1twi h ASN 59 N -0.16 0.61 -0.56 -2.11 2.35 -0.85 0.03 115.58 114.89 1twi h ASN 59 Ca 0.02 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1twi h ASN 59 Cb 0.28 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1twi h ASN 59 CO 0.00 0.39 0.32 0.03 -1.65 0.00 0.00 177.43 176.52 1twi h ARG 60 N 0.69 0.80 -0.05 0.81 3.08 -0.90 0.12 114.38 118.93 1twi h ARG 60 Ca 0.32 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 1twi h ARG 60 Cb 0.34 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1twi h ARG 60 CO -0.11 0.59 -0.06 1.88 -1.07 0.00 0.00 179.97 181.20 1twi h TYR 61 N 0.81 0.17 -0.72 3.04 0.05 -0.96 -1.92 116.97 117.43 1twi h TYR 61 Ca 0.21 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 58.97 1twi h TYR 61 Cb 0.02 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 37.68 1twi h TYR 61 CO 0.00 0.61 0.45 0.82 -1.05 0.00 0.00 178.16 178.99 1twi h ILE 62 N -0.33 1.07 -0.18 -2.88 1.08 -0.92 -0.47 117.51 114.88 1twi h ILE 62 Ca 0.01 -0.29 -0.15 0.00 -0.39 0.00 0.00 64.86 64.03 1twi h ILE 62 Cb 0.59 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1twi h ILE 62 CO 0.02 0.16 -0.51 -0.33 -0.69 0.00 0.00 178.15 176.80 1twi h GLU 63 N 0.86 0.50 -0.02 2.37 5.08 -1.00 -1.02 114.58 121.36 1twi h GLU 63 Ca 0.30 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1twi h GLU 63 Cb 0.06 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1twi h GLU 63 CO -0.13 0.89 -0.66 0.00 -1.00 0.00 0.00 179.01 178.11 1twi h ALA 64 N 1.06 0.87 -0.24 3.43 0.00 -0.89 -3.23 119.26 120.26 1twi h ALA 64 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1twi h ALA 64 Cb 1.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1twi h ALA 64 CO 0.09 0.81 0.00 1.19 0.00 0.00 0.00 179.25 181.34 1twi n PHE 65 N -3.78 0.30 -0.01 0.00 3.72 -0.23 -4.19 117.46 113.28 1twi n PHE 65 Ca -0.02 -0.17 0.10 0.00 -0.05 0.00 0.00 57.45 57.32 1twi n PHE 65 Cb 0.65 -0.00 0.51 0.00 -0.94 0.00 0.00 39.48 39.71 1twi n PHE 65 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1twi h LYS 66 N 4.09 0.35 -0.94 -1.08 3.64 -1.20 -0.19 116.57 121.24 1twi h LYS 66 Ca 0.00 -0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.53 1twi h LYS 66 Cb 0.91 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 1twi h LYS 66 CO 0.00 0.23 0.60 -0.09 -2.27 0.00 0.00 179.45 177.93 1twi h ARG 67 N 0.37 0.65 -0.12 1.90 2.43 -1.80 -1.75 114.38 116.06 1twi h ARG 67 Ca 0.21 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1twi h ARG 67 Cb 0.35 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1twi h ARG 67 CO -0.05 0.43 -0.04 2.35 -1.51 0.00 0.00 179.97 181.15 1twi h TRP 68 N 0.67 -0.09 -0.41 2.20 2.91 -1.32 0.20 115.95 120.12 1twi h TRP 68 Ca 0.50 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.43 1twi h TRP 68 Cb 0.88 0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 29.57 1twi h TRP 68 CO -0.00 -0.07 -0.17 0.93 -1.03 0.00 0.00 178.44 178.10 1twi h GLU 69 N -0.02 0.77 -0.25 2.65 5.08 -1.43 -1.26 114.58 120.12 1twi h GLU 69 Ca 0.06 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 1twi h GLU 69 Cb 0.11 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1twi h GLU 69 CO -0.14 0.89 -0.31 0.93 -1.00 0.00 0.00 179.01 179.38 1twi h GLU 70 N 0.69 0.66 0.00 2.33 5.08 -1.00 0.18 114.58 122.53 1twi h GLU 70 Ca 0.10 -0.37 -0.18 0.00 -1.00 0.00 0.00 59.36 57.91 1twi h GLU 70 Cb 0.67 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1twi h GLU 70 CO 0.05 0.98 -0.83 0.93 -1.00 0.00 0.00 179.01 179.14 1twi h GLU 71 N 0.38 0.09 0.00 2.33 5.08 -0.57 -3.36 114.58 118.54 1twi h GLU 71 Ca 0.03 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1twi h GLU 71 Cb 0.89 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1twi h GLU 71 CO 0.07 0.86 -1.35 0.25 -1.00 0.00 0.00 179.01 177.85 1twi n THR 72 N -3.62 0.00 0.00 1.13 -2.24 -0.48 -4.98 114.28 104.09 1twi n THR 72 Ca -0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1twi n THR 72 Cb 0.78 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.81 2.45 3.20 3.38 0.00 0.64 -5.02 105.19 111.66 1twi n GLY 73 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1twi n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1twi n LYS 74 N -2.00 -0.79 -3.58 1.61 4.76 -1.26 -5.00 118.16 111.91 1twi n LYS 74 Ca 0.00 -1.85 -0.32 0.00 -2.87 0.00 0.00 58.31 53.27 1twi n LYS 74 Cb 0.00 -0.98 -0.05 0.00 -1.84 0.00 0.00 35.03 32.16 1twi n LYS 74 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1twi s GLU 75 N -5.21 3.70 -0.17 1.97 0.41 -1.26 -4.19 118.70 113.95 1twi s GLU 75 Ca 0.60 0.07 -0.01 0.00 -0.41 0.00 0.00 54.97 55.22 1twi s GLU 75 Cb -0.02 -2.81 -0.00 0.00 -1.78 0.00 0.00 34.13 29.52 1twi s GLU 75 CO 0.42 0.43 -0.12 0.12 -0.49 0.00 0.00 175.26 175.62 1twi s PHE 76 N -1.67 2.84 -0.10 1.61 5.36 -1.26 -0.59 117.98 124.18 1twi s PHE 76 Ca 0.42 -0.98 0.03 0.00 -0.96 0.00 0.00 56.93 55.44 1twi s PHE 76 Cb -0.12 -1.94 0.01 0.00 -0.34 0.00 0.00 43.02 40.62 1twi s PHE 76 CO 0.23 -0.47 -0.20 0.42 -1.46 0.00 0.00 175.22 173.74 1twi s ILE 77 N 0.94 1.78 -0.32 3.12 1.01 0.08 -4.98 121.20 122.82 1twi s ILE 77 Ca -0.02 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 1twi s ILE 77 Cb -0.15 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1twi s ILE 77 CO -0.01 0.50 0.36 -0.69 0.00 0.00 0.00 174.94 175.10 1twi s VAL 78 N 0.57 5.17 -0.63 2.92 1.01 -1.26 -1.26 120.40 126.93 1twi s VAL 78 Ca -0.15 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1twi s VAL 78 Cb -0.17 -3.78 0.16 0.00 0.00 0.00 0.00 36.38 32.59 1twi s VAL 78 CO 0.05 -0.02 0.50 0.00 0.00 0.00 0.00 175.10 175.62 1twi s ALA 79 N 2.03 3.66 0.17 5.51 0.00 0.08 0.99 121.76 134.20 1twi s ALA 79 Ca 0.12 -3.02 -0.34 0.00 0.00 0.00 0.00 51.96 48.73 1twi s ALA 79 Cb -0.16 -2.96 -0.14 0.00 0.00 0.00 0.00 23.12 19.86 1twi s ALA 79 CO 0.11 -2.08 1.58 0.98 0.00 0.00 0.00 175.76 176.35 1twi n TYR 80 N 4.13 2.31 -2.60 0.00 9.36 -0.75 -3.64 117.16 125.96 1twi n TYR 80 Ca 0.04 0.26 -0.42 0.00 3.32 0.00 0.00 57.90 61.10 1twi n TYR 80 Cb 0.41 -2.55 -0.03 0.00 -0.63 0.00 0.00 39.34 36.55 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 0.86 2.94 0.58 2.98 0.00 -0.35 -1.08 121.76 127.70 1twi s ALA 81 Ca 0.78 -1.04 0.28 0.00 0.00 0.00 0.00 51.96 51.98 1twi s ALA 81 Cb -0.66 -4.07 1.54 0.00 0.00 0.00 0.00 23.12 19.93 1twi s ALA 81 CO 0.38 -2.82 2.00 1.88 0.00 0.00 0.00 175.76 177.20 1twi h TYR 82 N 9.66 0.00 0.00 0.00 -1.99 -1.73 -1.18 116.97 121.73 1twi h TYR 82 Ca -0.26 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.47 1twi h TYR 82 Cb 1.06 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.79 1twi h TYR 82 CO 1.05 0.00 -0.02 1.57 -0.00 0.00 0.00 178.16 180.76 1twi h LYS 83 N 0.00 0.00 -0.07 4.88 2.10 -1.89 -0.73 116.57 120.85 1twi h LYS 83 Ca 0.16 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.71 1twi h LYS 83 Cb 0.85 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.17 1twi h LYS 83 CO -0.00 0.02 -0.43 0.00 -2.00 0.00 0.00 179.45 177.04 1twi h ALA 84 N 1.98 1.14 0.00 0.07 0.00 -1.58 -3.42 119.26 117.45 1twi h ALA 84 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1twi h ALA 84 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1twi h ALA 84 CO 0.00 0.59 0.00 -1.71 0.00 0.00 0.00 179.25 178.13 1twi n ASN 85 N -4.01 0.00 -0.89 0.00 2.85 -0.29 -0.89 115.26 112.03 1twi n ASN 85 Ca -0.02 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.47 1twi n ASN 85 Cb 0.48 0.00 0.20 0.00 1.24 0.00 0.00 39.78 41.71 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 3.76 -1.69 5.20 0.00 -1.16 -4.77 120.51 121.85 1twi n ALA 86 Ca 0.00 -3.00 -0.44 0.00 0.00 0.00 0.00 53.44 50.01 1twi n ALA 86 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.07 2.86 0.11 0.00 2.85 -1.26 -4.78 115.26 113.97 1twi n ASN 87 Ca 0.27 1.16 0.05 0.00 -0.11 0.00 0.00 54.58 55.95 1twi n ASN 87 Cb 0.90 -1.46 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 3.76 0.27 -0.20 1.20 5.85 -1.95 -0.07 115.31 124.16 1twi h LEU 88 Ca -0.45 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.08 1twi h LEU 88 Cb 1.27 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1twi h LEU 88 CO 0.72 0.24 -0.54 0.00 -0.34 0.00 0.00 178.44 178.52 1twi h ALA 89 N 1.81 0.33 -0.63 1.25 0.00 -1.89 -1.50 119.26 118.63 1twi h ALA 89 Ca 0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1twi h ALA 89 Cb 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1twi h ALA 89 CO -0.01 0.54 0.24 0.82 0.00 0.00 0.00 179.25 180.84 1twi h ILE 90 N 0.43 1.24 -0.09 0.00 1.08 -1.53 0.02 117.51 118.65 1twi h ILE 90 Ca -0.01 -0.77 -0.14 0.00 -0.39 0.00 0.00 64.86 63.55 1twi h ILE 90 Cb 1.16 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1twi h ILE 90 CO 0.12 0.30 -0.56 0.71 -0.69 0.00 0.00 178.15 178.03 1twi h THR 91 N 0.89 1.36 -0.22 -0.27 1.35 -1.04 -1.95 112.91 113.03 1twi h THR 91 Ca 0.21 -1.87 -0.12 0.00 -0.55 0.00 0.00 66.41 64.08 1twi h THR 91 Cb 0.23 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1twi h THR 91 CO -0.01 0.56 -0.39 0.03 -0.25 0.00 0.00 175.52 175.46 1twi h ARG 92 N 0.22 0.50 0.13 4.72 3.08 -0.99 -0.52 114.38 121.52 1twi h ARG 92 Ca 0.00 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 1twi h ARG 92 Cb 1.05 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1twi h ARG 92 CO 0.09 0.81 -0.06 1.25 -1.07 0.00 0.00 179.97 180.99 1twi h LEU 93 N 0.42 -0.15 -1.00 3.04 5.85 -0.73 -0.58 115.31 122.16 1twi h LEU 93 Ca 0.04 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1twi h LEU 93 Cb 0.86 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1twi h LEU 93 CO 0.07 0.01 0.32 -0.07 -0.34 0.00 0.00 178.44 178.43 1twi h LEU 94 N -0.29 0.94 -0.37 2.25 3.38 -1.24 -1.73 115.31 118.25 1twi h LEU 94 Ca -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1twi h LEU 94 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1twi h LEU 94 CO 0.03 0.81 0.25 0.00 0.09 0.00 0.00 178.44 179.62 1twi h ALA 95 N 1.33 0.47 0.00 1.53 0.00 -0.98 -1.55 119.26 120.06 1twi h ALA 95 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1twi h ALA 95 Cb 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1twi h ALA 95 CO -0.03 -0.07 -0.13 0.87 0.00 0.00 0.00 179.25 179.89 1twi h LYS 96 N 0.50 0.00 0.00 0.00 1.57 -0.48 -1.74 116.57 116.42 1twi h LYS 96 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1twi h LYS 96 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1twi h LYS 96 CO -0.03 0.13 0.00 1.28 -0.57 0.00 0.00 179.45 180.26 1twi n LEU 97 N -3.78 0.00 0.00 2.94 4.77 -0.71 -4.88 117.00 115.34 1twi n LEU 97 Ca -0.02 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1twi n LEU 97 Cb 0.24 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1twi n LEU 97 CO 0.31 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1twi n GLY 98 N 1.28 0.92 3.79 -0.72 0.00 -0.65 -5.08 105.19 104.73 1twi n GLY 98 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 0.01 1.05 2.84 0.00 0.00 0.28 -4.46 105.19 104.91 1twi n GLY 100 Ca 0.08 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.61 -0.05 -0.40 4.61 0.00 0.42 -1.82 121.76 121.90 1twi s ALA 101 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 1twi s ALA 101 Cb 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.89 1twi s ALA 101 CO 0.00 -0.10 0.26 0.34 0.00 0.00 0.00 175.76 176.26 1twi s ASP 102 N 0.85 5.91 0.09 0.00 2.15 -0.24 -0.63 116.67 124.80 1twi s ASP 102 Ca -0.07 -1.03 0.05 0.00 0.43 0.00 0.00 52.55 51.93 1twi s ASP 102 Cb -0.10 -2.09 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 1twi s ASP 102 CO -0.03 -0.45 -0.02 0.68 -0.17 0.00 0.00 175.17 175.18 1twi s VAL 103 N 1.60 3.89 -0.03 1.11 -7.23 -0.45 -2.15 120.40 117.14 1twi s VAL 103 Ca 0.03 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.23 1twi s VAL 103 Cb -0.20 -2.84 0.07 0.00 0.56 0.00 0.00 36.38 33.98 1twi s VAL 103 CO 0.08 0.14 0.93 0.55 -0.31 0.00 0.00 175.10 176.49 1twi n VAL 104 N 0.67 0.89 -3.67 1.32 3.14 -1.26 -0.88 118.33 118.53 1twi n VAL 104 Ca -0.12 -0.98 -0.09 0.00 -2.96 0.00 0.00 64.34 60.19 1twi n VAL 104 Cb 0.52 0.42 -0.02 0.00 -1.06 0.00 0.00 33.84 33.70 1twi n VAL 104 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1twi s SER 105 N -1.25 -0.39 0.31 6.55 1.04 -1.26 -4.73 113.70 113.97 1twi s SER 105 Ca 0.08 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 1twi s SER 105 Cb 0.07 0.67 0.47 0.00 0.10 0.00 0.00 66.02 67.33 1twi s SER 105 CO 0.01 -1.18 1.97 1.23 0.98 0.00 0.00 173.24 176.24 1twi h GLY 106 N 2.00 1.11 0.99 7.32 0.00 -1.97 -1.32 103.07 111.20 1twi h GLY 106 Ca -0.25 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.66 1twi h GLY 106 CO 0.29 0.41 0.48 -1.33 0.00 0.00 0.00 176.54 176.39 1twi h GLY 107 N 1.07 1.02 1.50 4.60 0.00 -1.99 0.11 103.07 109.37 1twi h GLY 107 Ca 0.29 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 1twi h GLY 107 CO -0.06 0.36 -0.31 0.83 0.00 0.00 0.00 176.54 177.36 1twi h GLU 108 N 0.97 0.57 -0.58 4.80 5.08 -1.80 -1.62 114.58 121.99 1twi h GLU 108 Ca 0.27 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1twi h GLU 108 Cb -0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1twi h GLU 108 CO -0.06 0.81 0.00 1.25 -1.00 0.00 0.00 179.01 180.01 1twi h LEU 109 N 0.49 0.99 -0.37 1.33 5.85 -0.81 0.19 115.31 122.99 1twi h LEU 109 Ca 0.06 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1twi h LEU 109 Cb 0.78 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1twi h LEU 109 CO 0.06 1.04 0.24 0.22 -0.34 0.00 0.00 178.44 179.66 1twi h TYR 110 N 0.93 0.45 -0.66 1.25 3.20 -0.58 -0.63 116.97 120.93 1twi h TYR 110 Ca 0.17 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1twi h TYR 110 Cb 0.53 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1twi h TYR 110 CO 0.04 0.28 0.19 0.82 -1.64 0.00 0.00 178.16 177.85 1twi h ILE 111 N 0.49 1.25 -0.62 1.81 2.04 -1.01 0.38 117.51 121.85 1twi h ILE 111 Ca 0.14 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1twi h ILE 111 Cb -0.05 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1twi h ILE 111 CO -0.03 0.34 0.36 0.00 0.00 0.00 0.00 178.15 178.82 1twi h ALA 112 N 1.08 0.79 -0.50 1.87 0.00 -0.40 0.23 119.26 122.33 1twi h ALA 112 Ca 0.21 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1twi h ALA 112 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1twi h ALA 112 CO -0.00 0.29 0.04 0.87 0.00 0.00 0.00 179.25 180.45 1twi h LYS 113 N 0.84 0.86 0.00 0.00 1.79 -0.89 -2.12 116.57 117.05 1twi h LYS 113 Ca 0.22 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1twi h LYS 113 Cb 0.01 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 1twi h LYS 113 CO -0.04 0.87 0.00 -0.07 -1.08 0.00 0.00 179.45 179.14 1twi h LEU 114 N 0.73 0.00 -0.77 2.94 3.38 -0.50 -1.96 115.31 119.13 1twi h LEU 114 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1twi h LEU 114 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1twi h LEU 114 CO 0.02 0.00 -0.12 -1.20 0.09 0.00 0.00 178.44 177.22 1twi n SER 115 N -2.50 1.32 -0.98 -0.43 7.64 0.79 -4.96 113.62 114.49 1twi n SER 115 Ca 0.01 -1.23 -0.09 0.00 1.01 0.00 0.00 58.87 58.57 1twi n SER 115 Cb 0.23 0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.18 -3.45 -4.70 6.43 4.05 -0.74 -4.68 115.26 111.99 1twi n ASN 116 Ca 0.16 0.05 -0.42 0.00 0.45 0.00 0.00 54.58 54.82 1twi n ASN 116 Cb 0.36 -2.48 -0.03 0.00 1.23 0.00 0.00 39.78 38.86 1twi n ASN 116 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1twi s VAL 117 N -2.44 3.53 0.35 3.44 1.01 -0.88 -4.96 120.40 120.46 1twi s VAL 117 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 1twi s VAL 117 Cb 0.00 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 1twi s VAL 117 CO 0.00 0.04 1.51 -2.84 0.00 0.00 0.00 175.10 173.81 1twi s PRO 118 N 1.73 4.12 0.39 2.72 0.02 -1.26 -4.75 135.00 137.96 1twi s PRO 118 Ca 0.64 2.56 0.11 0.00 0.02 0.00 0.00 61.00 64.33 1twi s PRO 118 Cb -0.34 -2.99 0.90 0.00 0.02 0.00 0.00 34.50 32.09 1twi s PRO 118 CO 0.29 -0.55 1.91 0.77 -0.33 0.00 0.00 177.00 179.09 1twi h SER 119 N 3.57 0.54 0.20 2.53 0.02 -1.87 -0.80 113.55 117.74 1twi h SER 119 Ca -0.50 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1twi h SER 119 Cb 1.23 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1twi h SER 119 CO 0.69 0.30 0.00 0.29 -1.14 0.00 0.00 176.83 176.97 1twi n LYS 120 N -4.51 0.22 -0.26 3.45 4.76 -1.26 -1.46 118.16 119.10 1twi n LYS 120 Ca 0.14 0.14 0.09 0.00 -2.87 0.00 0.00 58.31 55.80 1twi n LYS 120 Cb 0.43 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.32 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 -1.23 2.30 -4.34 1.97 5.02 -0.31 -4.60 118.16 116.97 1twi n LYS 121 Ca 0.07 -2.63 -0.34 0.00 -2.02 0.00 0.00 58.31 53.39 1twi n LYS 121 Cb 0.09 -1.64 -0.13 0.00 -0.02 0.00 0.00 35.03 33.33 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 -2.64 3.57 0.08 -0.18 1.01 -0.53 -0.44 121.20 122.07 1twi s ILE 122 Ca 0.35 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.63 1twi s ILE 122 Cb 0.29 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1twi s ILE 122 CO 0.07 0.48 -0.24 0.68 0.00 0.00 0.00 174.94 175.92 1twi s VAL 123 N 0.70 1.97 -0.27 2.92 -7.23 0.20 -2.13 120.40 116.56 1twi s VAL 123 Ca -0.03 -1.47 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1twi s VAL 123 Cb -0.15 -1.72 0.04 0.00 0.56 0.00 0.00 36.38 35.11 1twi s VAL 123 CO 0.02 0.17 -0.06 0.12 -0.31 0.00 0.00 175.10 175.04 1twi s PHE 124 N -0.94 3.17 0.26 2.82 2.19 -0.13 -1.34 117.98 124.01 1twi s PHE 124 Ca 0.10 -1.85 0.04 0.00 0.33 0.00 0.00 56.93 55.54 1twi s PHE 124 Cb -0.10 -2.04 -0.03 0.00 -1.31 0.00 0.00 43.02 39.54 1twi s PHE 124 CO 0.03 -0.80 0.40 -0.80 1.83 0.00 0.00 175.22 175.89 1twi s ASN 125 N 1.25 6.32 0.00 6.13 0.01 -0.06 0.43 114.94 129.01 1twi s ASN 125 Ca -0.04 0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 1twi s ASN 125 Cb -0.18 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.57 1twi s ASN 125 CO -0.04 -0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 1twi n GLY 126 N -1.42 4.42 0.30 0.66 0.00 -1.26 -4.25 105.19 103.63 1twi n GLY 126 Ca -0.08 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 1.20 -2.98 1.61 6.94 -1.26 -4.34 115.26 116.43 1twi n ASN 127 Ca 0.00 -1.02 -0.17 0.00 -0.02 0.00 0.00 54.58 53.38 1twi n ASN 127 Cb 0.00 0.18 -0.01 0.00 -2.36 0.00 0.00 39.78 37.58 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 -2.77 4.34 0.44 0.00 1.02 -1.26 -5.00 119.74 116.50 1twi s LYS 129 Ca 0.37 1.96 0.02 0.00 0.02 0.00 0.00 55.97 58.34 1twi s LYS 129 Cb 0.38 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1twi s LYS 129 CO -0.06 -0.42 0.64 0.95 -0.92 0.00 0.00 175.35 175.55 1twi s THR 130 N 1.40 3.79 0.29 2.17 -4.23 -1.26 -4.92 115.64 112.87 1twi s THR 130 Ca 0.63 -0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 60.48 1twi s THR 130 Cb -0.33 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.40 1twi s THR 130 CO 0.29 -0.24 1.93 0.50 -0.54 0.00 0.00 174.62 176.56 1twi h LYS 131 N 0.46 1.11 -0.86 3.99 3.64 -1.98 -0.84 116.57 122.09 1twi h LYS 131 Ca -0.45 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1twi h LYS 131 Cb 1.26 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1twi h LYS 131 CO 0.55 0.73 0.53 1.49 -2.27 0.00 0.00 179.45 180.49 1twi h GLU 132 N 1.14 1.17 -0.27 1.90 4.81 -2.00 0.32 114.58 121.65 1twi h GLU 132 Ca 0.37 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1twi h GLU 132 Cb 0.03 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1twi h GLU 132 CO -0.11 0.81 -0.36 0.93 -0.73 0.00 0.00 179.01 179.55 1twi h GLU 133 N 1.18 0.61 -0.41 1.92 5.08 -1.65 -1.87 114.58 119.44 1twi h GLU 133 Ca 0.31 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1twi h GLU 133 Cb -0.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1twi h GLU 133 CO -0.06 0.88 -0.06 0.82 -1.00 0.00 0.00 179.01 179.59 1twi h ILE 134 N 0.51 1.27 -0.57 3.13 2.04 -0.57 0.04 117.51 123.37 1twi h ILE 134 Ca 0.05 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 64.83 1twi h ILE 134 Cb 0.86 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1twi h ILE 134 CO 0.07 0.38 0.32 0.40 0.00 0.00 0.00 178.15 179.32 1twi h ILE 135 N 0.58 1.00 -0.49 -0.67 2.04 -0.90 0.20 117.51 119.27 1twi h ILE 135 Ca 0.11 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1twi h ILE 135 Cb 0.57 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1twi h ILE 135 CO 0.03 0.11 0.26 -0.03 0.00 0.00 0.00 178.15 178.53 1twi h MET 136 N 0.61 0.69 -0.55 2.37 4.05 -0.88 -0.51 114.93 120.71 1twi h MET 136 Ca 0.24 -0.08 -0.09 0.00 -0.28 0.00 0.00 59.70 59.48 1twi h MET 136 Cb 0.10 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1twi h MET 136 CO -0.14 0.55 -0.03 0.78 0.23 0.00 0.00 176.91 178.29 1twi h GLY 137 N 0.65 1.05 0.93 1.39 0.00 -0.42 -1.25 103.07 105.42 1twi h GLY 137 Ca 0.17 -0.77 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1twi h GLY 137 CO -0.03 0.71 -0.04 -2.22 0.00 0.00 0.00 176.54 174.96 1twi h ILE 138 N 0.88 1.27 -0.55 2.60 2.04 -0.72 -1.40 117.51 121.63 1twi h ILE 138 Ca 0.16 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1twi h ILE 138 Cb 0.56 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1twi h ILE 138 CO 0.03 0.35 0.25 -0.33 0.00 0.00 0.00 178.15 178.46 1twi h GLU 139 N 0.46 0.78 0.00 2.37 4.39 -0.98 -0.57 114.58 121.03 1twi h GLU 139 Ca 0.10 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1twi h GLU 139 Cb 0.53 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1twi h GLU 139 CO 0.03 0.62 0.00 0.00 -1.16 0.00 0.00 179.01 178.50 1twi n ALA 140 N -2.45 2.15 -3.57 3.43 0.00 -0.48 -4.94 120.51 114.64 1twi n ALA 140 Ca 0.05 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 1twi n ALA 140 Cb 0.14 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.71 -3.68 -4.71 0.00 4.05 -0.22 -4.76 115.26 104.22 1twi n ASN 141 Ca 0.06 -0.63 -0.32 0.00 0.45 0.00 0.00 54.58 54.13 1twi n ASN 141 Cb 0.32 -4.84 0.13 0.00 1.23 0.00 0.00 39.78 36.62 1twi n ASN 141 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1twi s ILE 142 N -3.38 2.47 0.24 -1.44 -4.36 -1.12 -4.45 121.20 109.16 1twi s ILE 142 Ca 0.27 0.17 -0.06 0.00 -0.26 0.00 0.00 60.65 60.77 1twi s ILE 142 Cb -0.12 -2.45 0.20 0.00 1.25 0.00 0.00 42.46 41.34 1twi s ILE 142 CO 0.75 -0.18 1.84 -0.09 0.24 0.00 0.00 174.94 177.50 1twi h ARG 143 N -1.24 0.87 -1.38 0.37 2.43 -0.86 -3.43 114.38 111.14 1twi h ARG 143 Ca -0.44 -0.05 0.13 0.00 -0.81 0.00 0.00 59.98 58.81 1twi h ARG 143 Cb 1.26 -0.20 -0.25 0.00 -0.42 0.00 0.00 29.97 30.36 1twi h ARG 143 CO 0.46 0.58 0.68 0.00 -1.51 0.00 0.00 179.97 180.18 1twi s ALA 144 N -6.06 -2.02 -0.12 2.80 0.00 -1.21 -4.73 121.76 110.42 1twi s ALA 144 Ca -0.13 1.72 -0.20 0.00 0.00 0.00 0.00 51.96 53.35 1twi s ALA 144 Cb 0.18 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1twi s ALA 144 CO 0.78 -0.26 0.58 -0.06 0.00 0.00 0.00 175.76 176.80 1twi s PHE 145 N -0.84 3.50 -0.75 0.00 0.08 -0.64 -0.96 117.98 118.38 1twi s PHE 145 Ca 0.03 1.00 -0.21 0.00 0.12 0.00 0.00 56.93 57.87 1twi s PHE 145 Cb -0.01 -2.68 0.10 0.00 -0.57 0.00 0.00 43.02 39.85 1twi s PHE 145 CO -0.03 0.07 0.98 -0.80 -0.10 0.00 0.00 175.22 175.34 1twi s ASN 146 N 0.81 6.34 0.17 1.36 0.01 0.17 -0.83 114.94 122.97 1twi s ASN 146 Ca 0.30 -1.44 -0.32 0.00 -0.71 0.00 0.00 52.86 50.70 1twi s ASN 146 Cb -0.16 -2.39 -0.10 0.00 0.41 0.00 0.00 41.25 39.00 1twi s ASN 146 CO 0.13 -1.26 1.65 -0.69 -1.51 0.00 0.00 177.10 175.42 1twi s VAL 147 N 3.36 2.46 -0.12 1.60 1.01 -0.09 -4.40 120.40 124.23 1twi s VAL 147 Ca 0.24 0.28 0.19 0.00 0.00 0.00 0.00 61.98 62.69 1twi s VAL 147 Cb -0.14 -3.18 -0.25 0.00 0.00 0.00 0.00 36.38 32.81 1twi s VAL 147 CO 0.03 0.02 0.39 -0.67 0.00 0.00 0.00 175.10 174.86 1twi n ASP 148 N 4.29 0.20 -3.82 3.32 -0.08 -1.26 -0.96 116.55 118.23 1twi n ASP 148 Ca 0.15 0.09 -0.09 0.00 -1.51 0.00 0.00 54.79 53.42 1twi n ASP 148 Cb 0.38 1.16 -0.06 0.00 2.34 0.00 0.00 41.12 44.93 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 -5.22 -0.03 0.25 1.67 1.04 -1.26 -3.74 113.70 106.41 1twi s SER 149 Ca -0.08 -0.62 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 1twi s SER 149 Cb 0.09 0.43 0.30 0.00 0.10 0.00 0.00 66.02 66.95 1twi s SER 149 CO 0.85 -0.85 1.69 0.40 0.98 0.00 0.00 173.24 176.31 1twi h ILE 150 N 2.52 1.26 -0.44 -1.02 2.04 -1.97 -2.25 117.51 117.66 1twi h ILE 150 Ca -0.33 -1.26 0.07 0.00 1.00 0.00 0.00 64.86 64.35 1twi h ILE 150 Cb 1.23 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 1twi h ILE 150 CO 0.49 0.41 0.07 -1.28 0.00 0.00 0.00 178.15 177.84 1twi h SER 151 N 0.58 -0.04 -0.47 1.72 0.87 -2.00 -1.37 113.55 112.84 1twi h SER 151 Ca 0.09 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1twi h SER 151 Cb 0.67 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 1twi h SER 151 CO 0.05 0.01 0.23 -0.08 -0.53 0.00 0.00 176.83 176.51 1twi h GLU 152 N 0.19 0.67 -0.46 2.24 4.81 -1.87 -1.97 114.58 118.19 1twi h GLU 152 Ca 0.22 -0.10 0.09 0.00 -0.13 0.00 0.00 59.36 59.44 1twi h GLU 152 Cb 0.29 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.47 1twi h GLU 152 CO -0.30 0.57 0.00 1.25 -0.73 0.00 0.00 179.01 179.80 1twi h LEU 153 N 0.61 -0.19 -0.39 1.64 5.85 -0.82 0.18 115.31 122.19 1twi h LEU 153 Ca 0.16 0.11 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1twi h LEU 153 Cb 0.12 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1twi h LEU 153 CO -0.02 -0.06 0.26 0.40 -0.34 0.00 0.00 178.44 178.67 1twi h ILE 154 N 0.11 1.09 -0.70 4.05 2.04 -1.07 -0.55 117.51 122.49 1twi h ILE 154 Ca 0.23 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1twi h ILE 154 Cb 0.34 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1twi h ILE 154 CO -0.38 0.10 0.34 0.25 0.00 0.00 0.00 178.15 178.45 1twi h LEU 155 N 0.52 0.91 -0.48 1.44 5.85 -0.57 -1.81 115.31 121.18 1twi h LEU 155 Ca 0.15 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1twi h LEU 155 Cb -0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1twi h LEU 155 CO -0.04 0.79 0.25 0.40 -0.34 0.00 0.00 178.44 179.50 1twi h ILE 156 N 0.97 1.17 -0.21 4.05 2.04 -0.21 -0.69 117.51 124.64 1twi h ILE 156 Ca 0.24 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1twi h ILE 156 Cb 0.11 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1twi h ILE 156 CO -0.03 0.19 0.13 -1.13 0.00 0.00 0.00 178.15 177.31 1twi h ASN 157 N 0.63 0.22 -0.45 1.72 -0.00 -0.87 0.21 115.58 117.05 1twi h ASN 157 Ca 0.17 -0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.40 1twi h ASN 157 Cb 0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 38.32 1twi h ASN 157 CO -0.03 0.16 0.06 -0.08 -0.00 0.00 0.00 177.43 177.55 1twi h GLU 158 N 0.27 0.81 -0.30 6.67 4.57 -1.15 -0.96 114.58 124.50 1twi h GLU 158 Ca 0.08 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 57.94 1twi h GLU 158 Cb -0.02 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1twi h GLU 158 CO -0.03 0.78 -0.32 1.15 -1.18 0.00 0.00 179.01 179.41 1twi h THR 159 N 0.77 1.30 -0.46 0.32 2.02 -0.82 -0.74 112.91 115.29 1twi h THR 159 Ca 0.16 -1.50 0.04 0.00 0.77 0.00 0.00 66.41 65.89 1twi h THR 159 Cb 0.37 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1twi h THR 159 CO 0.01 0.48 0.23 0.00 0.37 0.00 0.00 175.52 176.61 1twi h ALA 160 N 0.71 0.58 -0.08 6.16 0.00 -0.74 -0.07 119.26 125.82 1twi h ALA 160 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1twi h ALA 160 Cb 0.90 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1twi h ALA 160 CO 0.08 -0.13 0.05 -0.22 0.00 0.00 0.00 179.25 179.03 1twi h LYS 161 N 0.45 0.11 0.00 0.00 3.64 -0.97 0.06 116.57 119.85 1twi h LYS 161 Ca 0.20 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1twi h LYS 161 Cb 0.12 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1twi h LYS 161 CO -0.15 0.09 -0.01 0.93 -2.27 0.00 0.00 179.45 178.04 1twi h GLU 162 N 0.09 0.00 -0.00 1.90 5.08 -0.59 -0.22 114.58 120.84 1twi h GLU 162 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1twi h GLU 162 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1twi h GLU 162 CO -0.01 0.01 -0.26 1.28 -1.00 0.00 0.00 179.01 179.03 1twi n LEU 163 N -4.49 0.67 -1.87 1.33 4.32 -0.09 -4.92 117.00 111.95 1twi n LEU 163 Ca -0.03 -0.07 -0.12 0.00 -0.02 0.00 0.00 56.01 55.77 1twi n LEU 163 Cb 0.10 -0.20 0.03 0.00 -1.62 0.00 0.00 43.42 41.73 1twi n LEU 163 CO 0.34 0.13 0.05 0.61 -1.22 0.00 0.00 177.39 177.30 1twi n GLY 164 N 1.38 0.09 2.36 -0.72 0.00 -0.09 -5.02 105.19 103.19 1twi n GLY 164 Ca 0.11 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 1twi n GLY 164 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1twi n GLU 165 N -2.63 0.50 -4.20 1.61 -0.58 -0.13 -5.04 120.64 110.17 1twi n GLU 165 Ca -0.04 -2.44 -0.26 0.00 -0.42 0.00 0.00 57.16 54.01 1twi n GLU 165 Cb 0.55 1.63 -0.17 0.00 -0.57 0.00 0.00 31.44 32.88 1twi n GLU 165 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1twi s THR 166 N -2.80 1.08 0.10 2.62 2.01 -1.26 -4.20 115.64 113.19 1twi s THR 166 Ca 0.21 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1twi s THR 166 Cb 0.01 -1.05 -0.06 0.00 0.01 0.00 0.00 72.50 71.41 1twi s THR 166 CO 0.15 0.36 0.43 0.00 -0.69 0.00 0.00 174.62 174.87 1twi s ALA 167 N 1.25 3.69 -0.10 7.40 0.00 0.69 -4.88 121.76 129.81 1twi s ALA 167 Ca -0.04 -0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 1twi s ALA 167 Cb -0.14 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1twi s ALA 167 CO -0.03 0.54 0.79 -0.80 0.00 0.00 0.00 175.76 176.26 1twi s ASN 168 N -1.77 7.02 -0.04 0.00 0.01 -1.26 -0.42 114.94 118.48 1twi s ASN 168 Ca 0.34 1.24 0.05 0.00 -0.71 0.00 0.00 52.86 53.78 1twi s ASN 168 Cb -0.14 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 1twi s ASN 168 CO 0.18 -0.25 -0.19 0.68 -1.51 0.00 0.00 177.10 176.02 1twi s VAL 169 N 1.39 1.54 0.46 1.60 -7.23 0.43 -1.62 120.40 116.96 1twi s VAL 169 Ca 0.40 -0.78 0.05 0.00 -1.81 0.00 0.00 61.98 59.84 1twi s VAL 169 Cb -0.18 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.41 1twi s VAL 169 CO 0.17 0.44 0.14 0.00 -0.31 0.00 0.00 175.10 175.54 1twi s ALA 170 N -0.04 3.77 -0.11 1.32 0.00 -0.01 -0.80 121.76 125.88 1twi s ALA 170 Ca -0.03 -1.60 -0.00 0.00 0.00 0.00 0.00 51.96 50.33 1twi s ALA 170 Cb -0.11 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1twi s ALA 170 CO 0.02 -0.17 -0.07 -0.06 0.00 0.00 0.00 175.76 175.48 1twi s PHE 171 N -2.71 1.42 -0.29 0.00 0.40 -0.63 -0.91 117.98 115.26 1twi s PHE 171 Ca 0.30 -0.69 -0.29 0.00 -0.60 0.00 0.00 56.93 55.66 1twi s PHE 171 Cb 0.04 -1.19 0.01 0.00 0.51 0.00 0.00 43.02 42.39 1twi s PHE 171 CO 0.17 -0.48 1.11 0.50 0.70 0.00 0.00 175.22 177.22 1twi s ARG 172 N 1.65 4.10 0.22 0.44 3.52 -0.14 -0.36 118.95 128.38 1twi s ARG 172 Ca 0.04 1.20 0.09 0.00 -0.13 0.00 0.00 55.73 56.92 1twi s ARG 172 Cb -0.13 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 1twi s ARG 172 CO -0.07 -0.86 -0.04 0.96 -0.81 0.00 0.00 175.30 174.48 1twi s ILE 173 N 3.64 3.41 -0.53 4.11 -4.36 0.41 -0.64 121.20 127.24 1twi s ILE 173 Ca 0.47 -1.73 -0.07 0.00 -0.26 0.00 0.00 60.65 59.06 1twi s ILE 173 Cb -0.14 -2.76 0.14 0.00 1.25 0.00 0.00 42.46 40.95 1twi s ILE 173 CO 0.14 -0.23 0.38 0.20 0.24 0.00 0.00 174.94 175.67 1twi s ASN 174 N -3.24 5.59 0.66 4.36 0.01 -0.51 -4.61 114.94 117.20 1twi s ASN 174 Ca 0.28 -2.26 -0.16 0.00 -0.71 0.00 0.00 52.86 50.01 1twi s ASN 174 Cb -0.08 -1.95 0.00 0.00 0.41 0.00 0.00 41.25 39.63 1twi s ASN 174 CO 0.18 -0.57 1.17 -2.16 -1.51 0.00 0.00 177.10 174.21 1twi s PRO 175 N 0.82 2.64 -1.09 -0.60 0.04 -1.26 -1.48 135.00 134.08 1twi s PRO 175 Ca 0.10 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 1twi s PRO 175 Cb -0.22 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 1twi s PRO 175 CO -0.03 -1.42 2.15 -1.71 0.04 0.00 0.00 177.00 176.03 1twi n ASN 176 N -2.24 3.96 -4.77 6.66 4.05 -1.26 -4.90 115.26 116.77 1twi n ASN 176 Ca 0.12 -2.65 -0.39 0.00 0.45 0.00 0.00 54.58 52.11 1twi n ASN 176 Cb 0.51 -1.32 -0.01 0.00 1.23 0.00 0.00 39.78 40.19 1twi n ASN 176 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1twi s VAL 177 N 3.91 2.77 -0.30 3.44 1.01 -1.26 -4.92 120.40 125.05 1twi s VAL 177 Ca 0.52 0.69 -0.29 0.00 0.00 0.00 0.00 61.98 62.91 1twi s VAL 177 Cb 0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1twi s VAL 177 CO 0.01 0.10 1.74 0.21 0.00 0.00 0.00 175.10 177.16 1twi s ASN 178 N -0.82 6.04 0.55 3.32 3.84 -1.26 -4.87 114.94 121.74 1twi s ASN 178 Ca 0.56 1.40 0.35 0.00 0.21 0.00 0.00 52.86 55.38 1twi s ASN 178 Cb -0.36 -2.53 1.58 0.00 -0.55 0.00 0.00 41.25 39.39 1twi s ASN 178 CO 0.46 -1.57 2.05 1.55 -2.79 0.00 0.00 177.10 176.80 1twi h PRO 179 N 12.21 0.00 0.00 0.43 0.13 -1.91 0.32 132.00 143.17 1twi h PRO 179 Ca -0.34 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1twi h PRO 179 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1twi h PRO 179 CO 1.02 0.00 -0.39 0.87 -0.23 0.00 0.00 178.00 179.27 1twi h LYS 180 N 0.00 0.00 0.00 0.86 1.79 -1.98 -2.94 116.57 114.30 1twi h LYS 180 Ca 0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 1twi h LYS 180 Cb 0.38 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 1twi h LYS 180 CO 0.00 0.20 -1.79 0.25 -1.08 0.00 0.00 179.45 177.03 1twi n THR 181 N -3.09 0.64 -3.21 -0.16 -2.24 -1.09 -4.76 114.28 100.38 1twi n THR 181 Ca 0.02 -0.47 -0.23 0.00 -2.27 0.00 0.00 64.05 61.10 1twi n THR 181 Cb 0.63 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 1twi n THR 181 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1twi n HIS 182 N -2.34 0.92 -0.33 4.78 8.25 0.08 -4.96 115.22 121.62 1twi n HIS 182 Ca -0.16 -3.78 -0.02 0.00 -0.26 0.00 0.00 57.72 53.51 1twi n HIS 182 Cb 0.77 -0.42 0.13 0.00 1.12 0.00 0.00 29.99 31.59 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 3.67 1.24 -0.51 -0.41 0.13 -1.70 0.21 132.00 134.61 1twi h PRO 183 Ca 0.11 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 65.04 1twi h PRO 183 Cb 0.83 -0.27 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1twi h PRO 183 CO 0.57 0.84 -0.10 0.87 -0.23 0.00 0.00 178.00 179.95 1twi h LYS 184 N 1.27 0.95 -0.19 0.86 1.57 -1.93 -0.48 116.57 118.62 1twi h LYS 184 Ca 0.34 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1twi h LYS 184 Cb -0.10 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1twi h LYS 184 CO -0.07 1.00 -0.38 0.82 -0.57 0.00 0.00 179.45 180.25 1twi h ILE 185 N 0.85 1.33 -0.66 1.86 1.08 -1.85 -2.90 117.51 117.23 1twi h ILE 185 Ca 0.14 -1.62 -0.04 0.00 -0.39 0.00 0.00 64.86 62.94 1twi h ILE 185 Cb 0.64 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 36.26 1twi h ILE 185 CO 0.04 0.50 0.23 -1.28 -0.69 0.00 0.00 178.15 176.96 1twi h SER 186 N 0.26 0.92 -0.25 1.72 0.87 -0.93 -2.54 113.55 113.59 1twi h SER 186 Ca 0.01 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 1twi h SER 186 Cb 0.99 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1twi h SER 186 CO 0.09 0.84 0.02 0.74 -0.53 0.00 0.00 176.83 177.98 1twi h THR 187 N 0.97 1.25 -0.15 2.23 2.02 -1.06 -2.54 112.91 115.63 1twi h THR 187 Ca 0.22 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1twi h THR 187 Cb 0.23 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1twi h THR 187 CO -0.01 0.27 0.07 1.23 0.37 0.00 0.00 175.52 177.45 1twi h GLY 188 N 0.23 0.23 1.41 2.16 0.00 -1.44 -1.25 103.07 104.41 1twi h GLY 188 Ca 0.07 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.36 1twi h GLY 188 CO 0.01 0.11 0.23 1.41 0.00 0.00 0.00 176.54 178.30 1twi h LEU 189 N 0.11 0.00 0.06 3.11 3.38 -1.40 0.44 115.31 121.01 1twi h LEU 189 Ca 0.05 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.67 1twi h LEU 189 Cb 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1twi h LEU 189 CO -0.01 0.00 -1.97 0.29 0.09 0.00 0.00 178.44 176.85 1twi n LYS 190 N -3.97 0.68 0.03 1.13 5.02 -0.94 -4.52 118.16 115.59 1twi n LYS 190 Ca 0.03 0.32 0.12 0.00 -2.02 0.00 0.00 58.31 56.75 1twi n LYS 190 Cb 0.37 -1.66 0.11 0.00 -0.02 0.00 0.00 35.03 33.83 1twi n LYS 190 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1twi n LYS 191 N -3.75 0.21 -1.65 1.97 2.85 -0.52 -4.94 118.16 112.33 1twi n LYS 191 Ca -0.37 0.02 -0.29 0.00 -1.05 0.00 0.00 58.31 56.62 1twi n LYS 191 Cb 0.93 -1.59 0.11 0.00 -0.65 0.00 0.00 35.03 33.83 1twi n LYS 191 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1twi s ASN 192 N -3.75 4.12 0.00 -5.58 0.02 0.14 -4.97 114.94 104.92 1twi s ASN 192 Ca 0.06 1.02 0.29 0.00 -1.02 0.00 0.00 52.86 53.21 1twi s ASN 192 Cb 0.15 -1.63 1.17 0.00 0.02 0.00 0.00 41.25 40.96 1twi s ASN 192 CO 0.76 -2.17 1.85 2.29 0.02 0.00 0.00 177.10 179.84 1twi n LYS 193 N -3.53 0.31 -3.42 -0.60 2.85 -1.26 -4.93 118.16 107.58 1twi n LYS 193 Ca 0.07 -0.08 -0.31 0.00 -1.05 0.00 0.00 58.31 56.94 1twi n LYS 193 Cb 0.59 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.42 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 -2.74 3.44 0.13 5.58 0.08 -1.26 -5.00 117.98 118.21 1twi s PHE 194 Ca 0.21 0.79 0.00 0.00 0.12 0.00 0.00 56.93 58.05 1twi s PHE 194 Cb 0.19 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1twi s PHE 194 CO 0.53 0.26 0.00 0.41 -0.10 0.00 0.00 175.22 176.32 1twi n GLY 195 N -0.28 -2.26 3.56 4.36 0.00 -1.25 -4.84 105.19 104.48 1twi n GLY 195 Ca -0.00 -1.39 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 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 -5.45 3.94 0.09 0.99 1.43 0.19 -4.82 118.68 115.05 1twi s LEU 196 Ca 0.00 -0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 52.72 1twi s LEU 196 Cb 0.00 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1twi s LEU 196 CO 0.00 -0.06 1.74 -0.62 0.23 0.00 0.00 176.35 177.64 1twi s ASP 197 N 1.73 6.53 -0.09 2.29 -1.08 -1.26 -1.43 116.67 123.36 1twi s ASP 197 Ca 0.07 2.60 -0.20 0.00 -0.52 0.00 0.00 52.55 54.50 1twi s ASP 197 Cb -0.16 -2.56 -0.16 0.00 -1.46 0.00 0.00 42.92 38.58 1twi s ASP 197 CO 0.09 -0.94 0.68 0.58 0.52 0.00 0.00 175.17 176.10 1twi h VAL 198 N 4.81 1.01 -0.76 1.11 2.07 -1.61 -1.23 116.25 121.66 1twi h VAL 198 Ca -0.44 -1.51 0.17 0.00 0.82 0.00 0.00 66.70 65.74 1twi h VAL 198 Cb 1.21 1.82 -0.13 0.00 -1.52 0.00 0.00 31.29 32.67 1twi h VAL 198 CO 0.94 0.31 -0.03 -0.08 0.02 0.00 0.00 177.57 178.73 1twi h GLU 199 N -0.92 0.08 0.00 1.57 4.81 -1.92 0.71 114.58 118.91 1twi h GLU 199 Ca -0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1twi h GLU 199 Cb 0.58 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1twi h GLU 199 CO 0.02 0.05 0.00 -1.13 -0.73 0.00 0.00 179.01 177.22 1twi n SER 200 N -5.38 0.40 0.00 1.04 3.41 -1.26 -4.91 113.62 106.92 1twi n SER 200 Ca 0.13 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1twi n SER 200 Cb 0.47 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.40 0.28 5.00 0.00 0.24 -4.96 105.19 106.61 1twi n GLY 201 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 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 1.21 -0.19 -0.61 2.04 -1.69 -1.27 117.51 117.01 1twi h ILE 202 Ca 0.00 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1twi h ILE 202 Cb 0.00 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1twi h ILE 202 CO 0.00 0.24 0.09 0.00 0.00 0.00 0.00 178.15 178.47 1twi h ALA 203 N 1.17 0.24 -0.60 1.87 0.00 -1.44 -0.12 119.26 120.39 1twi h ALA 203 Ca 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1twi h ALA 203 Cb 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1twi h ALA 203 CO -0.04 -0.19 0.25 1.98 0.00 0.00 0.00 179.25 181.25 1twi h MET 204 N 0.17 0.86 -0.35 0.00 1.85 -1.82 -1.79 114.93 113.86 1twi h MET 204 Ca 0.06 -0.13 -0.01 0.00 -0.61 0.00 0.00 59.70 59.02 1twi h MET 204 Cb 0.12 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 31.98 1twi h MET 204 CO -0.01 0.70 0.18 -0.22 -0.40 0.00 0.00 176.91 177.16 1twi h LYS 205 N 0.85 0.50 -0.46 0.39 3.64 -0.68 -1.24 116.57 119.57 1twi h LYS 205 Ca 0.20 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1twi h LYS 205 Cb 0.15 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1twi h LYS 205 CO -0.02 0.44 0.30 0.00 -2.27 0.00 0.00 179.45 177.89 1twi h ALA 206 N 1.04 0.59 -0.46 5.00 0.00 -0.67 -0.67 119.26 124.08 1twi h ALA 206 Ca 0.12 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1twi h ALA 206 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1twi h ALA 206 CO -0.02 0.05 -0.14 0.82 0.00 0.00 0.00 179.25 179.97 1twi h ILE 207 N 0.62 1.26 -0.29 0.00 2.04 -1.17 -0.79 117.51 119.19 1twi h ILE 207 Ca 0.17 -1.24 -0.10 0.00 1.00 0.00 0.00 64.86 64.68 1twi h ILE 207 Cb -0.05 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1twi h ILE 207 CO -0.03 0.43 -0.25 0.11 0.00 0.00 0.00 178.15 178.41 1twi h LYS 208 N 0.77 0.57 -0.79 2.37 1.57 -0.98 -1.28 116.57 118.80 1twi h LYS 208 Ca 0.12 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1twi h LYS 208 Cb 0.65 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1twi h LYS 208 CO 0.05 0.77 0.38 0.52 -0.57 0.00 0.00 179.45 180.60 1twi h MET 209 N 0.50 1.14 -0.58 3.15 2.86 -0.74 -2.78 114.93 118.49 1twi h MET 209 Ca 0.07 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1twi h MET 209 Cb 0.70 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1twi h MET 209 CO 0.05 0.88 0.05 0.00 1.06 0.00 0.00 176.91 178.95 1twi h ALA 210 N 1.19 0.99 -0.13 6.32 0.00 -0.51 -2.09 119.26 125.03 1twi h ALA 210 Ca 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1twi h ALA 210 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1twi h ALA 210 CO -0.03 0.63 -0.04 -0.07 0.00 0.00 0.00 179.25 179.73 1twi h LEU 211 N 0.90 0.18 0.00 0.00 3.38 -1.04 -1.93 115.31 116.79 1twi h LEU 211 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1twi h LEU 211 Cb 0.46 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1twi h LEU 211 CO 0.02 0.25 -0.12 -0.33 0.09 0.00 0.00 178.44 178.35 1twi h GLU 212 N 0.19 0.00 -7.08 1.13 5.08 -1.16 -3.46 114.58 109.28 1twi h GLU 212 Ca 0.04 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.96 1twi h GLU 212 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1twi h GLU 212 CO 0.01 0.00 0.35 -1.64 -1.00 0.00 0.00 179.01 176.73 1twi s MET 213 N -3.16 4.11 0.14 2.33 -1.94 -0.73 -4.99 119.30 115.07 1twi s MET 213 Ca 0.08 1.14 0.23 0.00 -1.71 0.00 0.00 55.69 55.43 1twi s MET 213 Cb 0.10 -2.16 0.07 0.00 2.01 0.00 0.00 34.83 34.85 1twi s MET 213 CO 0.64 -0.14 1.07 0.39 -0.01 0.00 0.00 175.02 176.97 1twi n GLU 214 N -0.83 0.48 -0.38 2.03 1.02 -1.26 -4.33 120.64 117.35 1twi n GLU 214 Ca 0.07 0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 1twi n GLU 214 Cb 0.54 -1.73 0.24 0.00 -0.02 0.00 0.00 31.44 30.47 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 -2.38 0.89 -4.30 -0.32 4.02 -1.26 -4.96 117.16 108.84 1twi n TYR 215 Ca 0.01 -0.66 -0.20 0.00 -0.01 0.00 0.00 57.90 57.04 1twi n TYR 215 Cb 0.50 -0.18 -0.11 0.00 -0.02 0.00 0.00 39.34 39.53 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 -1.86 1.63 -0.13 -0.72 -7.23 -1.26 -0.22 120.40 110.62 1twi s VAL 216 Ca 0.37 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1twi s VAL 216 Cb 0.25 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.44 1twi s VAL 216 CO 0.16 -0.40 -0.12 0.21 -0.31 0.00 0.00 175.10 174.64 1twi s ASN 217 N -2.69 2.45 -0.29 4.85 3.04 0.44 -4.89 114.94 117.84 1twi s ASN 217 Ca 0.14 -0.41 -0.29 0.00 0.04 0.00 0.00 52.86 52.35 1twi s ASN 217 Cb -0.05 -1.05 0.01 0.00 -1.54 0.00 0.00 41.25 38.63 1twi s ASN 217 CO 0.05 -0.06 1.05 -0.69 -3.04 0.00 0.00 177.10 174.41 1twi s VAL 218 N 1.43 4.58 -0.04 -5.21 1.01 -1.26 -0.43 120.40 120.48 1twi s VAL 218 Ca 0.02 1.81 0.02 0.00 0.00 0.00 0.00 61.98 63.82 1twi s VAL 218 Cb -0.13 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 1twi s VAL 218 CO -0.08 -0.37 0.05 1.33 0.00 0.00 0.00 175.10 176.04 1twi n VAL 219 N 5.67 0.00 -3.93 2.92 0.24 0.02 -4.82 118.33 118.43 1twi n VAL 219 Ca 0.12 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1twi n VAL 219 Cb 0.47 0.76 0.01 0.00 -1.47 0.00 0.00 33.84 33.61 1twi n VAL 219 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1twi s GLY 220 N -1.62 -0.04 0.07 7.63 0.00 -1.24 -1.17 107.32 110.95 1twi s GLY 220 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 44.72 44.71 1twi s GLY 220 CO 0.07 4.17 -0.20 -1.34 0.00 0.00 0.00 173.10 175.79 1twi s VAL 221 N -2.09 1.64 0.06 1.40 -7.23 -0.78 -1.61 120.40 111.79 1twi s VAL 221 Ca 0.26 -1.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.10 1twi s VAL 221 Cb -0.01 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 1twi s VAL 221 CO 0.02 0.04 -0.10 -2.28 -0.31 0.00 0.00 175.10 172.47 1twi s HIS 222 N -1.00 0.93 -0.18 2.82 5.04 0.52 -0.80 115.29 122.61 1twi s HIS 222 Ca 0.06 -0.53 -0.16 0.00 -1.54 0.00 0.00 55.06 52.90 1twi s HIS 222 Cb -0.09 -0.53 0.05 0.00 0.04 0.00 0.00 32.58 32.04 1twi s HIS 222 CO 0.03 -0.02 0.46 0.00 -2.34 0.00 0.00 174.74 172.87 1twi s HIS 224 N 0.38 0.16 -0.50 0.00 5.04 -1.26 -1.62 115.29 117.49 1twi s HIS 224 Ca -0.01 0.10 0.22 0.00 -1.54 0.00 0.00 55.06 53.83 1twi s HIS 224 Cb -0.04 -0.56 -0.16 0.00 0.04 0.00 0.00 32.58 31.86 1twi s HIS 224 CO -0.01 -0.26 0.80 0.44 -2.34 0.00 0.00 174.74 173.37 1twi n ILE 225 N 5.28 0.08 -2.38 0.89 -5.35 -1.26 -5.03 119.36 111.58 1twi n ILE 225 Ca -0.04 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1twi n ILE 225 Cb 0.50 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 1.36 -1.87 3.24 3.28 0.00 -1.26 -4.89 105.19 105.04 1twi n GLY 226 Ca 0.00 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.47 1.78 -1.41 1.61 0.15 -1.26 -3.86 113.70 108.23 1twi s SER 227 Ca 0.00 -0.94 -0.02 0.00 0.70 0.00 0.00 55.95 55.69 1twi s SER 227 Cb 0.00 -0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1twi s SER 227 CO 0.00 -0.28 0.53 1.67 1.20 0.00 0.00 173.24 176.36 1twi n GLN 228 N 0.07 -3.76 -3.01 5.44 -0.06 -1.01 -4.95 117.38 110.10 1twi n GLN 228 Ca -0.12 0.46 -0.41 0.00 -2.00 0.00 0.00 57.00 54.93 1twi n GLN 228 Cb 0.59 -4.76 -0.05 0.00 -4.06 0.00 0.00 30.24 21.96 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 -6.94 4.12 -0.29 1.69 1.43 -0.11 -4.66 118.68 113.92 1twi s LEU 229 Ca 0.09 0.93 0.09 0.00 -1.03 0.00 0.00 54.13 54.21 1twi s LEU 229 Cb -0.05 -3.03 0.49 0.00 0.03 0.00 0.00 46.19 43.63 1twi s LEU 229 CO 0.87 -0.38 1.42 0.35 0.23 0.00 0.00 176.35 178.84 1twi n THR 230 N 4.94 2.52 -4.34 5.49 -2.24 -1.26 -0.58 114.28 118.80 1twi n THR 230 Ca 0.02 -2.95 -0.20 0.00 -2.27 0.00 0.00 64.05 58.65 1twi n THR 230 Cb 0.49 -0.37 -0.16 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.72 1.12 0.43 3.42 2.15 -1.26 -4.50 116.67 115.32 1twi s ASP 231 Ca 0.44 -0.17 0.24 0.00 0.43 0.00 0.00 52.55 53.49 1twi s ASP 231 Cb 0.40 -0.34 0.72 0.00 -0.30 0.00 0.00 42.92 43.40 1twi s ASP 231 CO -0.02 0.04 1.74 -0.29 -0.17 0.00 0.00 175.17 176.48 1twi h ILE 232 N 5.52 0.40 -0.59 4.11 6.09 -1.97 -3.36 117.51 127.71 1twi h ILE 232 Ca -0.34 -1.19 0.12 0.00 -1.37 0.00 0.00 64.86 62.08 1twi h ILE 232 Cb 1.17 1.89 -0.10 0.00 0.47 0.00 0.00 36.82 40.25 1twi h ILE 232 CO 0.49 0.19 -0.06 -1.28 -3.07 0.00 0.00 178.15 174.42 1twi h SER 233 N 0.00 -0.37 0.34 2.19 0.87 -2.00 -1.26 113.55 113.31 1twi h SER 233 Ca -0.00 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1twi h SER 233 Cb 0.88 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1twi h SER 233 CO 0.02 -0.14 -0.19 -0.65 -0.53 0.00 0.00 176.83 175.34 1twi h PRO 234 N 0.07 0.00 -0.06 2.24 0.11 -1.99 -2.01 132.00 130.36 1twi h PRO 234 Ca 0.30 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.21 1twi h PRO 234 Cb 0.47 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 1twi h PRO 234 CO -0.54 0.19 -0.81 0.74 -0.21 0.00 0.00 178.00 177.37 1twi h PHE 235 N 0.00 0.60 -0.41 0.65 0.04 -1.48 -0.44 116.94 115.89 1twi h PHE 235 Ca -0.00 -0.29 -0.05 0.00 2.80 0.00 0.00 57.97 60.43 1twi h PHE 235 Cb 0.41 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1twi h PHE 235 CO 0.00 1.07 0.06 0.82 -0.60 0.00 0.00 178.31 179.67 1twi h ILE 236 N 0.28 1.24 -0.44 -0.55 2.04 -0.86 -0.19 117.51 119.03 1twi h ILE 236 Ca -0.05 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1twi h ILE 236 Cb 1.41 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1twi h ILE 236 CO 0.14 0.31 0.25 -0.08 0.00 0.00 0.00 178.15 178.76 1twi h GLU 237 N 0.54 0.62 -0.29 2.37 4.57 -1.30 -0.59 114.58 120.50 1twi h GLU 237 Ca 0.12 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1twi h GLU 237 Cb 0.38 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1twi h GLU 237 CO 0.01 0.49 0.15 1.49 -1.18 0.00 0.00 179.01 179.97 1twi h GLU 238 N 0.58 0.31 -0.51 1.92 4.81 -0.90 -1.38 114.58 119.41 1twi h GLU 238 Ca 0.16 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1twi h GLU 238 Cb 0.05 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1twi h GLU 238 CO -0.03 0.21 0.26 1.15 -0.73 0.00 0.00 179.01 179.87 1twi h THR 239 N 0.32 1.18 -0.39 0.32 2.02 -0.72 0.75 112.91 116.39 1twi h THR 239 Ca 0.12 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1twi h THR 239 Cb 0.03 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1twi h THR 239 CO -0.07 0.20 0.16 -0.09 0.37 0.00 0.00 175.52 176.09 1twi h ARG 240 N 0.68 0.58 -0.07 6.66 2.43 -0.94 0.11 114.38 123.82 1twi h ARG 240 Ca 0.18 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 1twi h ARG 240 Cb 0.08 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1twi h ARG 240 CO -0.03 0.54 -0.54 0.87 -1.51 0.00 0.00 179.97 179.31 1twi h LYS 241 N 0.48 0.19 0.18 0.20 1.79 -1.03 0.24 116.57 118.63 1twi h LYS 241 Ca 0.13 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1twi h LYS 241 Cb 0.18 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1twi h LYS 241 CO -0.01 0.68 -0.09 0.28 -1.08 0.00 0.00 179.45 179.23 1twi h VAL 242 N 0.15 0.92 -0.44 0.50 2.07 -0.68 -2.50 116.25 116.28 1twi h VAL 242 Ca 0.00 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1twi h VAL 242 Cb 1.00 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1twi h VAL 242 CO 0.08 0.17 0.19 0.24 0.02 0.00 0.00 177.57 178.28 1twi h MET 243 N -0.65 0.61 -0.48 1.57 2.86 -0.59 -0.10 114.93 118.15 1twi h MET 243 Ca -0.03 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1twi h MET 243 Cb 0.47 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1twi h MET 243 CO 0.04 0.49 0.32 -0.44 1.06 0.00 0.00 176.91 178.39 1twi h ASP 244 N 0.61 0.52 0.16 1.22 3.32 -0.47 -0.75 116.42 121.04 1twi h ASP 244 Ca 0.15 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 1twi h ASP 244 Cb 0.09 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1twi h ASP 244 CO -0.02 0.37 -0.62 0.15 -1.72 0.00 0.00 179.24 177.40 1twi h PHE 245 N 0.61 0.58 -0.66 4.55 3.57 -0.59 -1.64 116.94 123.35 1twi h PHE 245 Ca 0.18 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 1twi h PHE 245 Cb -0.00 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1twi h PHE 245 CO -0.00 0.95 0.13 0.28 -2.23 0.00 0.00 178.31 177.44 1twi h VAL 246 N 0.33 1.26 -0.44 1.41 2.07 -0.56 0.39 116.25 120.71 1twi h VAL 246 Ca -0.01 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1twi h VAL 246 Cb 1.16 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1twi h VAL 246 CO 0.11 0.38 0.22 0.58 0.02 0.00 0.00 177.57 178.88 1twi h VAL 247 N 1.02 1.17 -0.74 2.57 2.07 -0.91 0.86 116.25 122.28 1twi h VAL 247 Ca 0.21 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1twi h VAL 247 Cb 0.40 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1twi h VAL 247 CO 0.01 0.19 0.48 -0.08 0.02 0.00 0.00 177.57 178.18 1twi h GLU 248 N 0.57 0.91 -0.79 1.57 4.81 -0.75 0.23 114.58 121.14 1twi h GLU 248 Ca 0.15 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1twi h GLU 248 Cb 0.09 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1twi h GLU 248 CO -0.02 0.60 0.30 -0.07 -0.73 0.00 0.00 179.01 179.09 1twi h LEU 249 N 0.94 1.10 -0.88 1.64 3.38 -0.53 -2.17 115.31 118.78 1twi h LEU 249 Ca 0.29 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1twi h LEU 249 Cb -0.01 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1twi h LEU 249 CO -0.10 0.98 0.47 0.50 0.09 0.00 0.00 178.44 180.39 1twi h LYS 250 N 1.15 1.23 -0.20 1.13 3.11 0.11 0.15 116.57 123.25 1twi h LYS 250 Ca 0.26 -0.15 0.06 0.00 -2.81 0.00 0.00 60.65 58.01 1twi h LYS 250 Cb 0.24 -0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1twi h LYS 250 CO -0.02 0.91 0.16 0.93 -2.81 0.00 0.00 179.45 178.62 1twi h GLU 251 N 1.23 0.00 -0.24 1.90 5.08 -0.03 0.14 114.58 122.66 1twi h GLU 251 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1twi h GLU 251 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1twi h GLU 251 CO -0.05 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.35 1twi n GLU 252 N -4.26 1.73 -0.76 2.33 -0.58 0.38 -4.89 120.64 114.59 1twi n GLU 252 Ca 0.02 -1.12 0.00 0.00 -0.42 0.00 0.00 57.16 55.64 1twi n GLU 252 Cb 0.30 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.08 0.59 3.50 0.62 0.00 0.49 -5.05 105.19 106.42 1twi n GLY 253 Ca 0.14 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 4.36 0.10 -0.61 1.01 -0.35 -4.99 121.20 118.71 1twi s ILE 254 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.52 1twi s ILE 254 Cb 0.00 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1twi s ILE 254 CO 0.00 0.39 0.10 -1.83 0.00 0.00 0.00 174.94 173.59 1twi s GLU 255 N 1.15 2.89 -0.22 2.79 -1.05 -1.26 -2.96 118.70 120.04 1twi s GLU 255 Ca 0.04 -0.74 -0.01 0.00 -0.15 0.00 0.00 54.97 54.12 1twi s GLU 255 Cb -0.14 -2.71 0.02 0.00 -0.44 0.00 0.00 34.13 30.86 1twi s GLU 255 CO 0.03 0.54 -0.11 0.42 0.95 0.00 0.00 175.26 177.09 1twi s ILE 256 N -1.49 2.61 0.12 1.83 -1.09 -1.26 -4.94 121.20 116.98 1twi s ILE 256 Ca 0.30 -0.96 -0.12 0.00 -2.23 0.00 0.00 60.65 57.63 1twi s ILE 256 Cb -0.12 -2.25 -0.10 0.00 -1.58 0.00 0.00 42.46 38.42 1twi s ILE 256 CO 0.22 0.33 1.39 -0.33 -1.23 0.00 0.00 174.94 175.33 1twi h GLU 257 N 7.98 0.85 -5.62 2.79 5.08 -1.81 -3.44 114.58 120.42 1twi h GLU 257 Ca -0.38 -0.55 -0.56 0.00 -1.00 0.00 0.00 59.36 56.87 1twi h GLU 257 Cb 1.12 0.07 -0.30 0.00 0.50 0.00 0.00 28.75 30.14 1twi h GLU 257 CO 0.59 1.18 -0.84 -0.51 -1.00 0.00 0.00 179.01 178.44 1twi s ASP 258 N -6.93 2.13 -0.16 1.42 1.01 -0.32 -1.52 116.67 112.31 1twi s ASP 258 Ca -0.11 -0.33 0.02 0.00 0.71 0.00 0.00 52.55 52.83 1twi s ASP 258 Cb 0.10 -0.33 0.01 0.00 1.01 0.00 0.00 42.92 43.71 1twi s ASP 258 CO 0.89 0.20 -0.21 -0.69 0.21 0.00 0.00 175.17 175.58 1twi s VAL 259 N -0.31 2.02 -0.24 -1.27 1.01 -0.63 -1.86 120.40 119.12 1twi s VAL 259 Ca 0.04 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1twi s VAL 259 Cb -0.08 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1twi s VAL 259 CO 0.00 0.54 -0.06 0.21 0.00 0.00 0.00 175.10 175.78 1twi s ASN 260 N 1.05 4.27 -0.06 3.32 3.84 0.02 -0.94 114.94 126.45 1twi s ASN 260 Ca -0.01 -0.83 0.16 0.00 0.21 0.00 0.00 52.86 52.39 1twi s ASN 260 Cb -0.14 -1.66 0.57 0.00 -0.55 0.00 0.00 41.25 39.46 1twi s ASN 260 CO -0.07 -0.12 1.46 0.18 -2.79 0.00 0.00 177.10 175.76 1twi n LEU 261 N 4.68 3.72 0.00 3.21 4.77 -0.64 -1.12 117.00 131.62 1twi n LEU 261 Ca -0.17 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 1twi n LEU 261 Cb 0.47 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1twi n LEU 261 CO 0.27 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1twi n GLY 262 N 1.14 -0.87 0.00 -0.72 0.00 -0.64 -4.56 105.19 99.54 1twi n GLY 262 Ca 0.21 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 4.36 0.00 -0.02 0.00 -1.23 -0.81 105.19 107.49 1twi n GLY 263 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 5.00 1.21 3.73 -0.02 0.00 -1.25 -4.68 105.19 109.17 1twi n GLY 264 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1twi n GLY 264 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1twi s LEU 265 N 0.00 4.37 0.60 0.99 2.96 -1.26 -0.94 118.68 125.39 1twi s LEU 265 Ca 0.00 2.84 -0.13 0.00 -0.22 0.00 0.00 54.13 56.62 1twi s LEU 265 Cb 0.00 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 1twi s LEU 265 CO 0.00 -0.93 1.02 -0.83 -1.32 0.00 0.00 176.35 174.29 1twi s GLY 266 N 1.01 1.80 0.27 7.98 0.00 0.25 -4.27 107.32 114.36 1twi s GLY 266 Ca 0.71 0.03 0.10 0.00 0.00 0.00 0.00 44.72 45.56 1twi s GLY 266 CO 0.35 0.30 -0.07 -0.26 0.00 0.00 0.00 173.10 173.43 1twi s ILE 267 N -2.98 3.15 -1.27 0.90 -5.25 -1.26 -4.92 121.20 109.56 1twi s ILE 267 Ca 0.57 -2.05 -0.17 0.00 -0.99 0.00 0.00 60.65 58.00 1twi s ILE 267 Cb -0.11 -2.67 0.00 0.00 2.95 0.00 0.00 42.46 42.63 1twi s ILE 267 CO 0.47 -0.37 2.03 -0.81 -1.79 0.00 0.00 174.94 174.47 1twi n PRO 268 N -0.77 2.59 -0.25 0.37 -0.04 -1.26 -4.72 135.00 130.92 1twi n PRO 268 Ca -0.06 -2.62 -0.07 0.00 -0.04 0.00 0.00 63.50 60.71 1twi n PRO 268 Cb 0.59 -3.31 0.04 0.00 -0.04 0.00 0.00 33.50 30.79 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 7.01 1.06 -3.36 0.54 0.05 -1.91 -3.39 116.97 116.96 1twi h TYR 269 Ca 0.49 -0.09 -0.56 0.00 0.05 0.00 0.00 58.73 58.62 1twi h TYR 269 Cb 0.72 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 38.10 1twi h TYR 269 CO 1.39 0.83 0.07 0.71 -1.05 0.00 0.00 178.16 180.12 1twi s TYR 270 N -5.51 3.66 -2.65 4.88 2.02 -1.26 -4.09 117.35 114.38 1twi s TYR 270 Ca -0.13 1.29 0.24 0.00 -0.37 0.00 0.00 57.07 58.11 1twi s TYR 270 Cb 0.14 -2.74 0.50 0.00 -0.40 0.00 0.00 41.96 39.46 1twi s TYR 270 CO 0.82 0.23 1.44 1.63 -1.57 0.00 0.00 175.55 178.09 1twi n LYS 271 N 3.15 2.16 -0.05 -0.62 4.76 -1.26 -4.35 118.16 121.95 1twi n LYS 271 Ca -0.03 -1.72 0.11 0.00 -2.87 0.00 0.00 58.31 53.80 1twi n LYS 271 Cb 0.51 -1.47 0.13 0.00 -1.84 0.00 0.00 35.03 32.36 1twi n LYS 271 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1twi n ASP 272 N 1.01 3.06 -3.92 4.39 5.75 -1.26 -4.62 116.55 120.96 1twi n ASP 272 Ca 0.17 -1.96 -0.16 0.00 -0.01 0.00 0.00 54.79 52.83 1twi n ASP 272 Cb 0.51 -0.07 -0.15 0.00 -1.03 0.00 0.00 41.12 40.39 1twi n ASP 272 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1twi s LYS 273 N -1.77 0.39 0.26 0.11 -0.14 -1.26 -5.13 119.74 112.21 1twi s LYS 273 Ca 0.30 -0.12 -0.27 0.00 -1.36 0.00 0.00 55.97 54.51 1twi s LYS 273 Cb 0.20 -0.41 -0.09 0.00 -1.68 0.00 0.00 37.83 35.85 1twi s LYS 273 CO 0.29 0.05 0.91 -1.14 -0.76 0.00 0.00 175.35 174.70 1twi s GLN 274 N 0.14 4.68 0.26 1.68 0.74 -1.26 -4.99 119.66 120.91 1twi s GLN 274 Ca -0.01 1.35 0.02 0.00 0.05 0.00 0.00 55.36 56.77 1twi s GLN 274 Cb -0.05 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 30.95 1twi s GLN 274 CO -0.00 0.42 0.06 0.96 -0.55 0.00 0.00 175.29 176.18 1twi s ILE 275 N -1.37 0.77 0.45 -2.34 -4.36 -1.26 -5.12 121.20 107.97 1twi s ILE 275 Ca 0.44 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.58 1twi s ILE 275 Cb -0.22 -2.57 -0.09 0.00 1.25 0.00 0.00 42.46 40.83 1twi s ILE 275 CO 0.27 -0.10 1.23 -2.65 0.24 0.00 0.00 174.94 173.93 1twi n PRO 276 N -0.48 1.75 -3.97 0.37 -0.02 -1.26 -5.03 135.00 126.36 1twi n PRO 276 Ca -0.02 0.63 -0.27 0.00 -2.02 0.00 0.00 63.50 61.82 1twi n PRO 276 Cb 0.66 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 1twi n PRO 276 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1twi s THR 277 N -1.24 1.52 0.34 3.45 -4.23 -1.26 -4.89 115.64 109.32 1twi s THR 277 Ca 0.64 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 1twi s THR 277 Cb -0.49 -2.06 0.27 0.00 1.34 0.00 0.00 72.50 71.56 1twi s THR 277 CO 0.56 0.00 1.99 1.56 -0.54 0.00 0.00 174.62 178.19 1twi h GLN 278 N 0.75 0.90 -0.53 3.99 7.50 -1.96 -0.95 115.11 124.81 1twi h GLN 278 Ca -0.37 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 58.70 1twi h GLN 278 Cb 1.31 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 28.61 1twi h GLN 278 CO 0.58 0.59 0.24 -0.22 -1.50 0.00 0.00 178.83 178.52 1twi h LYS 279 N 0.92 0.78 -0.84 1.46 1.63 -1.92 0.61 116.57 119.21 1twi h LYS 279 Ca 0.27 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1twi h LYS 279 Cb -0.05 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.41 1twi h LYS 279 CO -0.07 0.66 0.46 -0.44 -3.45 0.00 0.00 179.45 176.61 1twi h ASP 280 N 0.72 1.06 -0.35 4.20 3.32 -1.71 -0.59 116.42 123.06 1twi h ASP 280 Ca 0.18 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1twi h ASP 280 Cb 0.15 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1twi h ASP 280 CO -0.02 0.85 0.16 0.25 -1.72 0.00 0.00 179.24 178.76 1twi h LEU 281 N 1.17 0.47 -0.57 1.55 5.85 -0.79 -2.50 115.31 120.49 1twi h LEU 281 Ca 0.30 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1twi h LEU 281 Cb 0.04 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1twi h LEU 281 CO -0.05 0.48 0.03 0.00 -0.34 0.00 0.00 178.44 178.56 1twi h ALA 282 N 1.00 0.76 -0.69 1.25 0.00 -0.58 0.47 119.26 121.48 1twi h ALA 282 Ca 0.12 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1twi h ALA 282 Cb 0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1twi h ALA 282 CO -0.01 0.57 0.37 -0.44 0.00 0.00 0.00 179.25 179.74 1twi h ASP 283 N 0.87 0.53 -0.05 0.00 3.32 -0.97 0.61 116.42 120.73 1twi h ASP 283 Ca 0.16 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1twi h ASP 283 Cb 0.51 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1twi h ASP 283 CO 0.02 0.33 -0.01 0.00 -1.72 0.00 0.00 179.24 177.86 1twi h ALA 284 N 1.38 0.07 -0.05 3.45 0.00 -1.22 -1.23 119.26 121.65 1twi h ALA 284 Ca 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1twi h ALA 284 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1twi h ALA 284 CO -0.21 -0.22 -0.14 0.82 0.00 0.00 0.00 179.25 179.50 1twi h ILE 285 N -0.26 1.44 -0.29 0.00 2.04 -0.45 -2.83 117.51 117.16 1twi h ILE 285 Ca 0.01 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 1twi h ILE 285 Cb 0.41 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1twi h ILE 285 CO 0.01 0.42 0.06 0.40 0.00 0.00 0.00 178.15 179.04 1twi h ILE 286 N -0.34 1.22 -0.72 -0.67 2.04 0.14 -0.60 117.51 118.58 1twi h ILE 286 Ca -0.00 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1twi h ILE 286 Cb 0.75 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1twi h ILE 286 CO 0.03 0.24 0.47 0.78 0.00 0.00 0.00 178.15 179.68 1twi h ASN 287 N 0.30 0.78 0.11 1.72 2.35 -1.31 -1.68 115.58 117.85 1twi h ASN 287 Ca 0.09 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1twi h ASN 287 Cb 0.30 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1twi h ASN 287 CO 0.00 0.55 -0.05 0.74 -1.65 0.00 0.00 177.43 177.02 1twi h THR 288 N 0.91 1.10 -0.97 2.81 2.02 -1.25 -3.23 112.91 114.30 1twi h THR 288 Ca 0.28 -1.05 0.06 0.00 0.77 0.00 0.00 66.41 66.46 1twi h THR 288 Cb -0.01 1.74 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 1twi h THR 288 CO -0.07 0.24 0.63 0.24 0.37 0.00 0.00 175.52 176.93 1twi h MET 289 N -0.66 1.12 0.00 6.66 2.86 -0.89 -2.12 114.93 121.91 1twi h MET 289 Ca -0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1twi h MET 289 Cb 0.51 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1twi h MET 289 CO 0.02 0.74 0.00 -0.07 1.06 0.00 0.00 176.91 178.67 1twi h LEU 290 N 1.16 0.00 -1.82 1.22 3.38 -1.36 -1.22 115.31 116.67 1twi h LEU 290 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1twi h LEU 290 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1twi h LEU 290 CO -0.15 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.49 1twi h LYS 291 N 0.00 0.00 -0.32 1.13 1.57 -1.39 -2.77 116.57 114.79 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 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1twi h LYS 291 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1twi n TYR 292 N -3.02 0.41 0.24 -1.35 4.02 -0.46 -4.51 117.16 112.49 1twi n TYR 292 Ca -0.00 -0.20 0.13 0.00 -0.01 0.00 0.00 57.90 57.82 1twi n TYR 292 Cb 0.23 0.00 0.67 0.00 -0.02 0.00 0.00 39.34 40.23 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 3.31 0.00 0.00 -0.72 2.10 -1.64 0.10 116.57 119.72 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 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1twi h LYS 293 CO 0.00 0.00 -0.54 -0.25 -2.00 0.00 0.00 179.45 176.66 1twi n ASP 294 N -2.42 0.54 -0.07 7.07 8.00 -1.26 -4.35 116.55 124.05 1twi n ASP 294 Ca -0.01 -0.28 -0.08 0.00 0.71 0.00 0.00 54.79 55.14 1twi n ASP 294 Cb 0.09 0.30 -0.10 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.53 1.55 -4.05 -1.24 5.02 0.28 -5.05 118.16 113.14 1twi n LYS 295 Ca 0.05 0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.28 1twi n LYS 295 Cb 0.34 -1.33 -0.09 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.32 0.18 0.28 -0.18 -7.23 -0.79 -5.01 120.40 105.33 1twi s VAL 296 Ca -0.10 -1.70 -0.29 0.00 -1.81 0.00 0.00 61.98 58.09 1twi s VAL 296 Cb 0.04 -1.58 -0.09 0.00 0.56 0.00 0.00 36.38 35.31 1twi s VAL 296 CO 0.50 -0.84 0.97 -1.61 -0.31 0.00 0.00 175.10 173.82 1twi s GLU 297 N -3.93 4.72 0.23 4.82 2.02 -1.26 -4.32 118.70 120.98 1twi s GLU 297 Ca 0.09 1.49 -0.30 0.00 0.02 0.00 0.00 54.97 56.28 1twi s GLU 297 Cb 0.07 -3.10 -0.10 0.00 0.10 0.00 0.00 34.13 31.11 1twi s GLU 297 CO -0.08 0.37 1.38 -1.64 0.02 0.00 0.00 175.26 175.31 1twi s MET 298 N -1.52 4.32 0.72 1.61 -1.94 -1.26 -4.98 119.30 116.25 1twi s MET 298 Ca 0.45 2.19 0.01 0.00 -1.71 0.00 0.00 55.69 56.63 1twi s MET 298 Cb -0.25 -3.14 0.13 0.00 2.01 0.00 0.00 34.83 33.59 1twi s MET 298 CO 0.31 -0.33 0.99 -1.25 -0.01 0.00 0.00 175.02 174.72 1twi s PRO 299 N -0.37 1.66 0.43 2.03 0.04 -1.26 -4.94 135.00 132.59 1twi s PRO 299 Ca 0.57 -1.26 -0.23 0.00 0.04 0.00 0.00 61.00 60.12 1twi s PRO 299 Cb -0.39 -2.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.69 1twi s PRO 299 CO 0.42 -1.45 1.08 -0.80 0.04 0.00 0.00 177.00 176.30 1twi s ASN 300 N -4.77 6.53 -0.12 6.66 0.01 -0.57 -4.73 114.94 117.95 1twi s ASN 300 Ca 0.67 2.11 0.00 0.00 -0.71 0.00 0.00 52.86 54.93 1twi s ASN 300 Cb -0.05 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1twi s ASN 300 CO 0.44 -0.65 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.04 1twi s LEU 301 N -2.85 2.78 -0.02 0.60 2.96 0.25 -1.61 118.68 120.79 1twi s LEU 301 Ca 0.61 -0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.30 1twi s LEU 301 Cb -0.23 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1twi s LEU 301 CO 0.29 0.20 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.65 1twi s ILE 302 N 0.18 1.83 0.16 6.68 1.01 -0.11 -0.74 121.20 130.19 1twi s ILE 302 Ca -0.07 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 59.67 1twi s ILE 302 Cb -0.15 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1twi s ILE 302 CO 0.05 0.51 -0.19 -0.76 0.00 0.00 0.00 174.94 174.55 1twi s LEU 303 N -0.57 2.42 -0.53 2.97 1.43 -0.39 -1.61 118.68 122.40 1twi s LEU 303 Ca 0.09 -0.84 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 1twi s LEU 303 Cb -0.09 -0.83 0.36 0.00 0.03 0.00 0.00 46.19 45.66 1twi s LEU 303 CO -0.01 -0.02 0.99 -0.62 0.23 0.00 0.00 176.35 176.92 1twi n GLU 304 N 0.39 3.20 -2.30 1.70 1.02 0.01 -0.74 120.64 123.92 1twi n GLU 304 Ca -0.14 -4.69 -0.39 0.00 -0.02 0.00 0.00 57.16 51.91 1twi n GLU 304 Cb 0.57 -2.21 -0.03 0.00 -0.02 0.00 0.00 31.44 29.75 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 -3.46 4.29 0.00 3.49 0.04 -1.25 -3.58 135.00 134.53 1twi s PRO 305 Ca 0.48 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1twi s PRO 305 Cb 0.32 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1twi s PRO 305 CO -0.15 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1twi n GLY 306 N 0.82 0.14 0.25 0.56 0.00 -1.26 -1.21 105.19 104.49 1twi n GLY 306 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 0.28 0.00 1.61 2.43 -1.89 -1.21 114.38 115.60 1twi h ARG 307 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1twi h ARG 307 Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1twi h ARG 307 CO 0.00 0.18 0.00 -1.13 -1.51 0.00 0.00 179.97 177.51 1twi n SER 308 N -5.12 0.00 -0.10 -3.80 3.41 -1.26 -1.06 113.62 105.69 1twi n SER 308 Ca 0.11 -0.49 -0.20 0.00 -0.26 0.00 0.00 58.87 58.03 1twi n SER 308 Cb 0.37 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.09 2.83 -0.00 1.04 4.77 -0.49 -4.82 117.00 119.23 1twi n LEU 309 Ca 0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1twi n LEU 309 Cb 0.11 -0.96 -0.01 0.00 -2.33 0.00 0.00 43.42 40.24 1twi n LEU 309 CO 0.14 0.89 -0.19 1.33 -1.33 0.00 0.00 177.39 178.23 1twi n VAL 310 N -3.39 0.00 0.06 4.08 0.24 -0.99 -4.56 118.33 113.77 1twi n VAL 310 Ca -0.43 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 61.45 1twi n VAL 310 Cb 0.99 0.80 -0.05 0.00 -1.47 0.00 0.00 33.84 34.12 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 0.12 -0.16 0.00 2.33 0.00 -1.32 -2.44 119.26 117.79 1twi h ALA 311 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1twi h ALA 311 Cb 0.03 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1twi h ALA 311 CO 0.00 -0.63 0.00 0.25 0.00 0.00 0.00 179.25 178.87 1twi n THR 312 N -5.27 0.64 0.86 0.00 -2.24 -1.26 -1.60 114.28 105.42 1twi n THR 312 Ca -0.05 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 1twi n THR 312 Cb 0.19 -0.88 0.33 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.36 3.01 -2.69 6.98 0.00 -0.92 -4.72 120.51 120.82 1twi n ALA 313 Ca 0.07 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 1twi n ALA 313 Cb 0.15 -1.24 -0.09 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 -3.21 1.87 0.01 0.00 0.00 -0.99 0.11 107.32 105.10 1twi s GLY 314 Ca 0.10 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1twi s GLY 314 CO 0.66 -0.66 -0.06 -0.19 0.00 0.00 0.00 173.10 172.85 1twi s TYR 315 N -0.96 0.56 -0.19 1.90 1.51 -0.23 -1.75 117.35 118.18 1twi s TYR 315 Ca 0.16 -0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.03 1twi s TYR 315 Cb -0.11 -0.35 0.00 0.00 -0.11 0.00 0.00 41.96 41.39 1twi s TYR 315 CO 0.05 -0.02 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.18 1twi s LEU 316 N -0.42 2.54 -0.16 -1.29 2.96 -0.14 -0.40 118.68 121.76 1twi s LEU 316 Ca -0.00 -0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 53.33 1twi s LEU 316 Cb -0.04 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 1twi s LEU 316 CO -0.00 0.02 0.14 -0.76 -1.32 0.00 0.00 176.35 174.43 1twi s LEU 317 N 1.23 4.29 -0.02 -0.68 1.43 0.13 -0.64 118.68 124.42 1twi s LEU 317 Ca 0.03 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1twi s LEU 317 Cb -0.14 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.01 1twi s LEU 317 CO -0.06 0.27 0.00 -0.83 0.23 0.00 0.00 176.35 175.97 1twi s GLY 318 N -0.22 0.15 0.28 -3.19 0.00 -0.55 -1.01 107.32 102.78 1twi s GLY 318 Ca 0.11 0.13 -0.23 0.00 0.00 0.00 0.00 44.72 44.73 1twi s GLY 318 CO 0.01 0.41 0.83 1.25 0.00 0.00 0.00 173.10 175.60 1twi s LYS 319 N 0.69 4.40 -0.31 2.90 2.20 -1.26 -0.76 119.74 127.60 1twi s LYS 319 Ca -0.06 1.09 -0.24 0.00 -0.36 0.00 0.00 55.97 56.39 1twi s LYS 319 Cb -0.09 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 1twi s LYS 319 CO -0.01 0.33 0.83 0.08 -0.36 0.00 0.00 175.35 176.21 1twi s VAL 320 N -1.59 4.75 -0.14 4.02 1.01 0.27 -1.72 120.40 126.99 1twi s VAL 320 Ca 0.47 1.25 0.19 0.00 0.00 0.00 0.00 61.98 63.89 1twi s VAL 320 Cb -0.17 -4.19 -0.26 0.00 0.00 0.00 0.00 36.38 31.75 1twi s VAL 320 CO 0.22 -0.29 0.26 1.41 0.00 0.00 0.00 175.10 176.70 1twi n HIS 321 N 6.32 0.13 -3.79 5.22 -0.00 -0.24 -0.27 115.22 122.59 1twi n HIS 321 Ca 0.05 0.04 -0.13 0.00 -0.00 0.00 0.00 57.72 57.69 1twi n HIS 321 Cb 0.48 -0.89 -0.10 0.00 -0.00 0.00 0.00 29.99 29.48 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 -2.79 -0.21 -0.11 4.41 3.76 -1.20 -4.88 115.29 114.27 1twi s HIS 322 Ca -0.09 0.44 0.01 0.00 -0.15 0.00 0.00 55.06 55.27 1twi s HIS 322 Cb 0.08 0.08 -0.01 0.00 1.11 0.00 0.00 32.58 33.84 1twi s HIS 322 CO 0.85 -0.26 -0.15 0.42 -0.85 0.00 0.00 174.74 174.75 1twi s ILE 323 N -0.63 2.87 -0.24 0.60 1.01 -1.26 0.02 121.20 123.57 1twi s ILE 323 Ca -0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 1twi s ILE 323 Cb -0.04 -2.17 0.07 0.00 0.01 0.00 0.00 42.46 40.33 1twi s ILE 323 CO 0.02 0.54 0.04 -0.75 0.00 0.00 0.00 174.94 174.79 1twi s LYS 324 N 0.15 0.84 -0.04 2.79 2.20 0.06 -5.01 119.74 120.73 1twi s LYS 324 Ca -0.08 -0.71 -0.25 0.00 -0.36 0.00 0.00 55.97 54.57 1twi s LYS 324 Cb -0.15 -2.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.97 1twi s LYS 324 CO 0.05 -0.73 0.78 -1.21 -0.36 0.00 0.00 175.35 173.87 1twi s GLU 325 N 1.71 4.47 0.24 4.03 2.02 -1.26 -1.21 118.70 128.70 1twi s GLU 325 Ca 0.01 1.03 0.03 0.00 0.02 0.00 0.00 54.97 56.06 1twi s GLU 325 Cb -0.17 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.56 1twi s GLU 325 CO -0.13 0.05 0.02 0.95 0.02 0.00 0.00 175.26 176.18 1twi s THR 326 N 0.78 0.91 0.64 3.63 -4.23 -0.60 -4.99 115.64 111.78 1twi s THR 326 Ca 0.41 -2.02 0.36 0.00 -1.18 0.00 0.00 61.69 59.27 1twi s THR 326 Cb -0.19 -2.42 0.39 0.00 1.34 0.00 0.00 72.50 71.62 1twi s THR 326 CO 0.21 -0.25 2.20 -0.65 -0.54 0.00 0.00 174.62 175.59 1twi h PRO 327 N 2.45 0.00 0.00 3.99 0.11 -2.05 -3.11 132.00 133.39 1twi h PRO 327 Ca -0.38 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.58 1twi h PRO 327 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1twi h PRO 327 CO 0.64 0.00 -1.62 0.28 -0.21 0.00 0.00 178.00 177.09 1twi n VAL 328 N -3.27 0.54 -3.66 3.15 0.31 -1.26 -5.06 118.33 109.08 1twi n VAL 328 Ca -0.02 -0.37 -0.12 0.00 -0.01 0.00 0.00 64.34 63.82 1twi n VAL 328 Cb 0.20 -0.58 -0.06 0.00 -0.91 0.00 0.00 33.84 32.49 1twi n VAL 328 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1twi s THR 329 N -2.31 0.06 -0.44 2.52 2.01 -1.17 -5.10 115.64 111.21 1twi s THR 329 Ca -0.04 -0.48 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 1twi s THR 329 Cb 0.03 -0.99 0.05 0.00 0.01 0.00 0.00 72.50 71.60 1twi s THR 329 CO 0.39 -0.26 0.36 -0.75 -0.69 0.00 0.00 174.62 173.67 1twi s LYS 330 N -2.71 2.99 0.07 4.92 2.20 -1.26 -1.56 119.74 124.39 1twi s LYS 330 Ca -0.04 -1.15 -0.23 0.00 -0.36 0.00 0.00 55.97 54.19 1twi s LYS 330 Cb -0.00 -4.05 -0.06 0.00 -1.51 0.00 0.00 37.83 32.20 1twi s LYS 330 CO -0.04 -0.90 0.68 -1.58 -0.36 0.00 0.00 175.35 173.16 1twi s TRP 331 N 1.72 3.78 -0.21 4.03 0.52 -0.35 -1.16 118.94 127.28 1twi s TRP 331 Ca 0.05 1.40 -0.01 0.00 0.02 0.00 0.00 56.10 57.57 1twi s TRP 331 Cb -0.21 -2.68 0.01 0.00 -1.15 0.00 0.00 33.47 29.43 1twi s TRP 331 CO 0.09 0.42 -0.12 0.08 0.02 0.00 0.00 176.95 177.44 1twi s VAL 332 N -0.60 2.63 -0.28 4.03 1.01 0.05 -0.76 120.40 126.48 1twi s VAL 332 Ca 0.34 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1twi s VAL 332 Cb -0.20 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1twi s VAL 332 CO 0.21 0.44 0.29 -0.04 0.00 0.00 0.00 175.10 176.00 1twi s MET 333 N 1.36 3.97 0.31 2.72 1.00 0.10 -1.57 119.30 127.20 1twi s MET 333 Ca 0.04 -0.14 0.09 0.00 0.00 0.00 0.00 55.69 55.68 1twi s MET 333 Cb -0.14 -3.66 -0.05 0.00 0.00 0.00 0.00 34.83 30.98 1twi s MET 333 CO -0.08 -0.24 0.05 0.96 0.00 0.00 0.00 175.02 175.70 1twi s ILE 334 N 1.92 3.02 -2.07 2.53 -4.36 -0.26 -1.08 121.20 120.92 1twi s ILE 334 Ca 0.11 -1.87 0.18 0.00 -0.26 0.00 0.00 60.65 58.82 1twi s ILE 334 Cb -0.16 -2.86 0.49 0.00 1.25 0.00 0.00 42.46 41.17 1twi s ILE 334 CO 0.10 -0.25 1.64 -0.90 0.24 0.00 0.00 174.94 175.77 1twi n ASP 335 N -1.00 0.41 -4.87 4.36 5.68 -0.70 -3.91 116.55 116.52 1twi n ASP 335 Ca -0.05 -1.52 -0.33 0.00 -0.50 0.00 0.00 54.79 52.40 1twi n ASP 335 Cb 0.61 -0.03 -0.05 0.00 -1.14 0.00 0.00 41.12 40.51 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 -1.95 3.65 0.31 2.12 0.00 -1.26 -4.20 121.76 120.44 1twi s ALA 336 Ca 0.28 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1twi s ALA 336 Cb 0.13 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 1twi s ALA 336 CO 0.22 0.55 0.34 0.20 0.00 0.00 0.00 175.76 177.07 1twi s GLY 337 N -2.20 1.84 0.49 0.00 0.00 -1.26 -3.92 107.32 102.27 1twi s GLY 337 Ca 0.42 -1.78 0.18 0.00 0.00 0.00 0.00 44.72 43.55 1twi s GLY 337 CO 0.21 -1.26 2.04 0.00 0.00 0.00 0.00 173.10 174.09 1twi h MET 338 N 2.19 0.15 0.00 2.90 -0.00 -1.91 0.11 114.93 118.37 1twi h MET 338 Ca -0.28 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.70 59.37 1twi h MET 338 Cb 1.24 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.80 1twi h MET 338 CO 0.39 0.10 -0.19 -2.95 -0.00 0.00 0.00 176.91 174.26 1twi h ASN 339 N 0.15 0.00 0.69 -0.10 -1.07 -1.89 -2.57 115.58 110.80 1twi h ASN 339 Ca 0.18 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.29 1twi h ASN 339 Cb 0.54 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.78 1twi h ASN 339 CO -0.03 0.19 -1.18 0.44 0.07 0.00 0.00 177.43 176.92 1twi h ASP 340 N 0.00 0.35 -1.53 6.14 3.32 -1.04 0.13 116.42 123.78 1twi h ASP 340 Ca -0.00 -0.37 -0.09 0.00 0.02 0.00 0.00 57.03 56.59 1twi h ASP 340 Cb 0.48 -0.11 -0.26 0.00 0.22 0.00 0.00 39.33 39.65 1twi h ASP 340 CO 0.02 1.28 -0.44 -0.32 -1.72 0.00 0.00 179.24 178.07 1twi s MET 341 N -2.69 0.44 0.00 3.56 1.75 -1.00 -4.35 119.30 117.01 1twi s MET 341 Ca -0.03 0.52 0.27 0.00 -1.25 0.00 0.00 55.69 55.19 1twi s MET 341 Cb 0.08 -0.11 0.87 0.00 2.84 0.00 0.00 34.83 38.51 1twi s MET 341 CO 0.87 -0.81 1.64 -1.33 -0.65 0.00 0.00 175.02 174.75 1twi n MET 342 N 5.38 0.69 -0.08 4.11 2.81 -1.05 -4.33 117.12 124.65 1twi n MET 342 Ca -0.01 -0.36 -0.09 0.00 -1.81 0.00 0.00 57.70 55.43 1twi n MET 342 Cb 0.51 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.50 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 0.87 0.39 -0.67 0.03 3.08 -1.88 -0.21 114.38 115.99 1twi h ARG 343 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1twi h ARG 343 Cb 0.46 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1twi h ARG 343 CO 0.00 0.30 0.38 -1.35 -1.07 0.00 0.00 179.97 178.23 1twi h PRO 344 N 0.37 0.93 -0.50 0.04 0.11 -1.80 0.35 132.00 131.49 1twi h PRO 344 Ca 0.10 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1twi h PRO 344 Cb 0.01 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.91 1twi h PRO 344 CO -0.02 0.69 0.08 0.00 -0.21 0.00 0.00 178.00 178.53 1twi h ALA 345 N 1.19 0.67 0.12 -0.75 0.00 -1.62 0.40 119.26 119.27 1twi h ALA 345 Ca 0.24 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1twi h ALA 345 Cb 0.02 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1twi h ALA 345 CO -0.04 0.41 -1.22 0.52 0.00 0.00 0.00 179.25 178.91 1twi h MET 346 N 0.71 0.30 0.00 0.00 2.86 -0.92 -3.39 114.93 114.49 1twi h MET 346 Ca 0.15 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1twi h MET 346 Cb 0.40 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1twi h MET 346 CO 0.01 1.22 0.00 0.66 1.06 0.00 0.00 176.91 179.86 1twi n TYR 347 N -3.57 0.00 -3.25 -0.22 4.01 0.10 -4.97 117.16 109.26 1twi n TYR 347 Ca -0.09 -0.22 -0.24 0.00 -0.16 0.00 0.00 57.90 57.20 1twi n TYR 347 Cb 1.01 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 40.05 1twi n TYR 347 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1twi n GLU 348 N -0.22 -4.97 -2.56 -0.72 -0.58 0.14 -4.92 120.64 106.81 1twi n GLU 348 Ca 0.00 0.77 -0.36 0.00 -0.42 0.00 0.00 57.16 57.14 1twi n GLU 348 Cb 0.19 -5.62 -0.04 0.00 -0.57 0.00 0.00 31.44 25.40 1twi n GLU 348 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1twi s ALA 349 N -3.15 3.09 -0.12 0.62 0.00 -1.18 -4.93 121.76 116.09 1twi s ALA 349 Ca 0.39 0.68 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 1twi s ALA 349 Cb -0.19 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1twi s ALA 349 CO 0.49 -0.19 0.67 -0.47 0.00 0.00 0.00 175.76 176.26 1twi s TYR 350 N -1.68 3.50 -0.04 0.00 6.14 -1.26 -4.27 117.35 119.74 1twi s TYR 350 Ca 0.58 1.12 0.04 0.00 0.64 0.00 0.00 57.07 59.44 1twi s TYR 350 Cb -0.21 -2.80 -0.00 0.00 0.42 0.00 0.00 41.96 39.37 1twi s TYR 350 CO 0.27 -0.01 -0.14 -1.01 0.64 0.00 0.00 175.55 175.29 1twi s HIS 351 N 1.25 1.42 0.30 4.97 3.76 -1.26 -4.78 115.29 120.95 1twi s HIS 351 Ca 0.34 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.56 1twi s HIS 351 Cb -0.17 -0.98 -0.10 0.00 1.11 0.00 0.00 32.58 32.45 1twi s HIS 351 CO 0.14 -0.14 1.33 -1.58 -0.85 0.00 0.00 174.74 173.64 1twi s HIS 352 N 0.11 3.06 -0.05 1.40 2.46 -1.26 -4.83 115.29 116.19 1twi s HIS 352 Ca -0.04 1.33 0.02 0.00 0.47 0.00 0.00 55.06 56.84 1twi s HIS 352 Cb -0.11 -3.70 0.02 0.00 -0.13 0.00 0.00 32.58 28.67 1twi s HIS 352 CO 0.02 -2.00 -0.07 0.42 -2.47 0.00 0.00 174.74 170.64 1twi s ILE 353 N -0.82 0.74 0.26 0.89 1.01 -1.26 -0.27 121.20 121.75 1twi s ILE 353 Ca 0.51 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.93 1twi s ILE 353 Cb -0.40 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1twi s ILE 353 CO 0.50 0.26 0.05 0.27 0.00 0.00 0.00 174.94 176.02 1twi s ILE 354 N 0.74 0.88 0.07 2.92 -4.36 -0.50 -4.92 121.20 116.04 1twi s ILE 354 Ca -0.12 -2.01 -0.21 0.00 -0.26 0.00 0.00 60.65 58.05 1twi s ILE 354 Cb -0.14 -2.56 -0.07 0.00 1.25 0.00 0.00 42.46 40.94 1twi s ILE 354 CO 0.01 -0.13 0.63 0.21 0.24 0.00 0.00 174.94 175.91 1twi s ASN 355 N -3.35 7.12 0.08 4.36 3.84 -1.26 -0.86 114.94 124.88 1twi s ASN 355 Ca 0.34 1.33 0.20 0.00 0.21 0.00 0.00 52.86 54.94 1twi s ASN 355 Cb 0.07 -2.40 0.81 0.00 -0.55 0.00 0.00 41.25 39.19 1twi s ASN 355 CO 0.12 0.21 1.61 0.00 -2.79 0.00 0.00 177.10 176.25 1twi s LYS 357 N -3.09 3.11 0.13 0.00 2.47 -1.26 -0.89 119.74 120.20 1twi s LYS 357 Ca 0.07 -0.84 -0.30 0.00 -1.56 0.00 0.00 55.97 53.35 1twi s LYS 357 Cb 0.11 -2.40 -0.07 0.00 -1.46 0.00 0.00 37.83 34.02 1twi s LYS 357 CO 0.36 0.14 1.13 0.08 0.16 0.00 0.00 175.35 177.22 1twi s VAL 358 N 0.46 3.97 0.35 4.02 1.01 0.40 -4.85 120.40 125.76 1twi s VAL 358 Ca -0.15 1.57 0.07 0.00 0.00 0.00 0.00 61.98 63.47 1twi s VAL 358 Cb -0.17 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 1twi s VAL 358 CO 0.06 0.21 -0.02 -0.54 0.00 0.00 0.00 175.10 174.81 1twi s LYS 359 N 0.21 1.77 0.00 2.72 -0.14 -1.26 -4.97 119.74 118.07 1twi s LYS 359 Ca 0.53 -1.96 0.27 0.00 -1.36 0.00 0.00 55.97 53.45 1twi s LYS 359 Cb -0.29 -1.40 0.85 0.00 -1.68 0.00 0.00 37.83 35.31 1twi s LYS 359 CO 0.33 -0.01 1.65 0.09 -0.76 0.00 0.00 175.35 176.65 1twi n ASN 360 N -0.78 0.35 -4.37 2.83 3.02 -1.26 -4.81 115.26 110.23 1twi n ASN 360 Ca -0.05 -0.06 -0.30 0.00 -0.03 0.00 0.00 54.58 54.14 1twi n ASN 360 Cb 0.65 -0.05 -0.14 0.00 -0.61 0.00 0.00 39.78 39.63 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 -2.91 1.78 0.18 3.52 2.12 -1.26 -5.06 118.70 117.07 1twi s GLU 361 Ca 0.15 -1.13 0.10 0.00 0.36 0.00 0.00 54.97 54.44 1twi s GLU 361 Cb 0.18 -2.00 -0.04 0.00 0.26 0.00 0.00 34.13 32.53 1twi s GLU 361 CO 0.61 0.51 -0.20 0.15 -0.54 0.00 0.00 175.26 175.78 1twi s LYS 362 N -1.42 1.39 0.13 4.30 -0.14 -1.26 -0.50 119.74 122.25 1twi s LYS 362 Ca 0.13 -1.48 -0.18 0.00 -1.36 0.00 0.00 55.97 53.08 1twi s LYS 362 Cb -0.10 -1.53 0.04 0.00 -1.68 0.00 0.00 37.83 34.57 1twi s LYS 362 CO 0.03 0.31 0.45 -1.83 -0.76 0.00 0.00 175.35 173.56 1twi s GLU 363 N -2.83 1.12 -0.20 1.68 -1.05 -0.35 -4.79 118.70 112.29 1twi s GLU 363 Ca 0.19 -0.65 -0.09 0.00 -0.15 0.00 0.00 54.97 54.27 1twi s GLU 363 Cb -0.06 0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 34.08 1twi s GLU 363 CO 0.08 -0.45 0.10 0.08 0.95 0.00 0.00 175.26 176.02 1twi s VAL 364 N -3.79 5.08 0.20 1.83 1.01 -1.26 -0.76 120.40 122.71 1twi s VAL 364 Ca 0.03 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1twi s VAL 364 Cb 0.01 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1twi s VAL 364 CO -0.12 0.44 0.29 0.68 0.00 0.00 0.00 175.10 176.38 1twi s VAL 365 N 0.49 0.03 0.04 2.92 -7.23 -0.19 -4.62 120.40 111.84 1twi s VAL 365 Ca 0.06 -1.59 0.06 0.00 -1.81 0.00 0.00 61.98 58.70 1twi s VAL 365 Cb -0.12 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1twi s VAL 365 CO -0.00 -0.14 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.07 1twi s SER 366 N -3.04 4.12 -0.12 4.85 0.01 -0.31 -0.79 113.70 118.41 1twi s SER 366 Ca 0.25 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.19 1twi s SER 366 Cb 0.03 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1twi s SER 366 CO 0.06 0.25 -0.20 -0.63 0.41 0.00 0.00 173.24 173.13 1twi s ILE 367 N -0.98 2.31 0.08 1.44 1.09 0.06 -0.77 121.20 124.43 1twi s ILE 367 Ca 0.16 -0.91 0.01 0.00 -1.10 0.00 0.00 60.65 58.81 1twi s ILE 367 Cb -0.11 -1.93 -0.04 0.00 -1.06 0.00 0.00 42.46 39.33 1twi s ILE 367 CO 0.07 0.54 -0.06 0.00 -0.10 0.00 0.00 174.94 175.40 1twi s ALA 368 N 0.55 0.83 0.54 9.38 0.00 -0.61 -0.50 121.76 131.96 1twi s ALA 368 Ca -0.12 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 1twi s ALA 368 Cb -0.17 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1twi s ALA 368 CO 0.04 -0.27 0.25 0.41 0.00 0.00 0.00 175.76 176.19 1twi n GLY 369 N 0.03 0.46 1.64 0.00 0.00 -1.18 -1.10 105.19 105.04 1twi n GLY 369 Ca -0.13 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 44.05 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 3.10 2.88 3.86 -0.02 0.00 -1.25 -4.77 105.19 108.99 1twi n GLY 370 Ca 0.04 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.13 3.61 0.17 0.99 1.02 -1.26 -4.97 118.68 116.11 1twi s LEU 371 Ca 0.52 1.40 0.13 0.00 0.02 0.00 0.00 54.13 56.19 1twi s LEU 371 Cb 0.35 -4.34 0.66 0.00 0.02 0.00 0.00 46.19 42.88 1twi s LEU 371 CO 0.22 -0.59 1.39 0.00 0.02 0.00 0.00 176.35 177.39 1twi s GLU 373 N -3.28 4.41 0.34 0.00 2.56 -1.26 -4.95 118.70 116.51 1twi s GLU 373 Ca -0.00 0.80 0.26 0.00 0.00 0.00 0.00 54.97 56.03 1twi s GLU 373 Cb 0.04 -3.43 1.15 0.00 2.00 0.00 0.00 34.13 33.89 1twi s GLU 373 CO 0.13 0.13 1.78 0.66 -0.56 0.00 0.00 175.26 177.41 1twi h SER 374 N 6.55 0.00 0.02 -1.70 4.64 -2.04 -0.68 113.55 120.35 1twi h SER 374 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1twi h SER 374 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1twi h SER 374 CO 0.74 0.00 -0.00 -1.54 -0.87 0.00 0.00 176.83 175.16 1twi n SER 375 N -2.43 0.26 -4.06 4.97 3.41 -1.26 -4.35 113.62 110.17 1twi n SER 375 Ca 0.01 -1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 57.15 1twi n SER 375 Cb 0.21 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.81 4.42 -3.80 4.04 2.03 -0.26 -4.21 116.55 117.95 1twi n ASP 376 Ca 0.23 -2.90 -0.17 0.00 0.52 0.00 0.00 54.79 52.47 1twi n ASP 376 Cb 0.16 -1.66 -0.16 0.00 -0.72 0.00 0.00 41.12 38.73 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 3.13 0.09 0.01 5.18 1.01 -1.26 -3.12 120.40 125.44 1twi s VAL 377 Ca 0.48 0.14 0.11 0.00 0.00 0.00 0.00 61.98 62.71 1twi s VAL 377 Cb 0.09 -0.21 -0.21 0.00 0.00 0.00 0.00 36.38 36.05 1twi s VAL 377 CO -0.02 0.13 0.92 -0.26 0.00 0.00 0.00 175.10 175.87 1twi h PHE 378 N 7.35 0.00 -1.68 5.22 0.04 -1.11 -3.42 116.94 123.35 1twi h PHE 378 Ca -0.42 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.51 1twi h PHE 378 Cb 1.13 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.08 1twi h PHE 378 CO 0.50 0.96 0.66 0.20 -0.60 0.00 0.00 178.31 180.03 1twi s GLY 379 N -4.93 -0.29 0.08 -1.45 0.00 -1.18 -4.68 107.32 94.87 1twi s GLY 379 Ca -0.02 1.70 0.07 0.00 0.00 0.00 0.00 44.72 46.47 1twi s GLY 379 CO 0.82 0.69 -0.18 0.50 0.00 0.00 0.00 173.10 174.93 1twi s ARG 380 N -2.06 1.05 -1.33 2.90 0.52 -1.26 -0.76 118.95 118.01 1twi s ARG 380 Ca 0.05 -1.05 -0.00 0.00 -0.52 0.00 0.00 55.73 54.21 1twi s ARG 380 Cb -0.01 -1.21 -0.00 0.00 0.52 0.00 0.00 34.95 34.25 1twi s ARG 380 CO -0.04 0.28 0.64 -0.25 0.02 0.00 0.00 175.30 175.95 1twi n ASP 381 N 1.28 -1.00 -4.72 0.23 10.43 -1.04 -4.93 116.55 116.81 1twi n ASP 381 Ca -0.20 -0.86 -0.35 0.00 2.57 0.00 0.00 54.79 55.95 1twi n ASP 381 Cb 0.54 -3.84 -0.09 0.00 1.84 0.00 0.00 41.12 39.57 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 -6.09 3.64 -0.29 -1.24 1.81 0.03 -4.83 118.95 111.98 1twi s ARG 382 Ca 0.00 -0.29 -0.21 0.00 -1.72 0.00 0.00 55.73 53.51 1twi s ARG 382 Cb -0.00 -3.13 -0.01 0.00 -0.45 0.00 0.00 34.95 31.36 1twi s ARG 382 CO 0.83 0.50 0.66 -2.00 -0.68 0.00 0.00 175.30 174.61 1twi s GLU 383 N -0.27 3.99 0.19 3.54 2.12 -1.26 -1.02 118.70 125.99 1twi s GLU 383 Ca 0.09 0.44 0.09 0.00 0.36 0.00 0.00 54.97 55.94 1twi s GLU 383 Cb -0.12 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 1twi s GLU 383 CO 0.01 -0.53 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.52 1twi s LEU 384 N 2.63 2.49 0.41 2.70 1.43 0.06 -4.93 118.68 123.47 1twi s LEU 384 Ca 0.27 -0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 52.16 1twi s LEU 384 Cb -0.15 -0.82 -0.10 0.00 0.03 0.00 0.00 46.19 45.15 1twi s LEU 384 CO 0.11 -0.06 1.47 -1.81 0.23 0.00 0.00 176.35 176.28 1twi s ASP 385 N -2.98 6.14 -0.45 2.29 1.11 -1.26 -1.21 116.67 120.31 1twi s ASP 385 Ca 0.20 3.01 -0.42 0.00 0.18 0.00 0.00 52.55 55.52 1twi s ASP 385 Cb -0.04 -2.66 -0.18 0.00 1.07 0.00 0.00 42.92 41.11 1twi s ASP 385 CO 0.08 -1.00 1.56 1.17 1.18 0.00 0.00 175.17 178.16 1twi n LYS 386 N 0.19 0.00 -3.03 8.23 3.00 0.35 -4.78 118.16 122.12 1twi n LYS 386 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.94 1twi n LYS 386 Cb 0.40 -1.36 -0.05 0.00 0.00 0.00 0.00 35.03 34.02 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 3.33 4.90 0.12 3.15 1.01 -1.26 -4.93 120.40 126.72 1twi s VAL 387 Ca 0.98 1.51 0.08 0.00 0.00 0.00 0.00 61.98 64.55 1twi s VAL 387 Cb -1.36 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 30.92 1twi s VAL 387 CO 0.71 0.32 -0.20 -1.61 0.00 0.00 0.00 175.10 174.32 1twi s GLU 388 N 0.33 1.17 0.24 2.72 2.02 -1.26 -5.06 118.70 118.85 1twi s GLU 388 Ca 0.37 -1.25 -0.31 0.00 0.02 0.00 0.00 54.97 53.81 1twi s GLU 388 Cb -0.19 -1.34 -0.13 0.00 0.10 0.00 0.00 34.13 32.57 1twi s GLU 388 CO 0.20 0.30 1.52 0.28 0.02 0.00 0.00 175.26 177.57 1twi n VAL 389 N 0.80 0.76 0.00 2.63 0.31 -1.26 -1.11 118.33 120.45 1twi n VAL 389 Ca -0.17 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1twi n VAL 389 Cb 0.55 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 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 2.49 3.31 3.73 2.92 0.00 0.63 -4.99 105.19 113.28 1twi n GLY 390 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.09 3.88 -0.14 1.61 -0.00 -0.27 -4.71 116.67 115.96 1twi s ASP 391 Ca 0.00 1.80 0.00 0.00 -0.00 0.00 0.00 52.55 54.35 1twi s ASP 391 Cb 0.00 -2.44 -0.01 0.00 -0.00 0.00 0.00 42.92 40.47 1twi s ASP 391 CO 0.00 -2.43 -0.14 -0.69 -0.00 0.00 0.00 175.17 171.91 1twi s VAL 392 N -2.85 2.83 0.14 -1.27 1.01 -1.26 -0.57 120.40 118.43 1twi s VAL 392 Ca 0.63 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1twi s VAL 392 Cb -0.18 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1twi s VAL 392 CO 0.57 0.52 0.21 -0.76 0.00 0.00 0.00 175.10 175.64 1twi s LEU 393 N 0.60 4.12 -0.14 3.92 1.43 0.06 -0.65 118.68 128.04 1twi s LEU 393 Ca -0.08 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1twi s LEU 393 Cb -0.16 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1twi s LEU 393 CO 0.03 0.08 -0.20 0.00 0.23 0.00 0.00 176.35 176.49 1twi s ALA 394 N -1.70 2.32 -0.27 4.21 0.00 -0.04 -1.49 121.76 124.80 1twi s ALA 394 Ca 0.33 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 1twi s ALA 394 Cb -0.11 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1twi s ALA 394 CO 0.26 0.02 0.12 0.42 0.00 0.00 0.00 175.76 176.59 1twi s ILE 395 N 0.73 4.68 0.59 0.00 1.01 0.19 -1.41 121.20 127.00 1twi s ILE 395 Ca -0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 1twi s ILE 395 Cb -0.16 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1twi s ILE 395 CO 0.00 0.28 0.97 -0.36 0.00 0.00 0.00 174.94 175.84 1twi s PHE 396 N 1.66 3.60 -1.22 3.97 0.40 0.62 -0.97 117.98 126.04 1twi s PHE 396 Ca 0.06 1.16 -0.00 0.00 -0.60 0.00 0.00 56.93 57.55 1twi s PHE 396 Cb -0.16 -2.64 -0.00 0.00 0.51 0.00 0.00 43.02 40.73 1twi s PHE 396 CO 0.06 -0.61 0.92 -0.25 0.70 0.00 0.00 175.22 176.04 1twi n ASP 397 N -2.64 -2.03 -0.57 1.36 8.00 -0.81 -4.38 116.55 115.48 1twi n ASP 397 Ca 0.05 -0.68 0.08 0.00 0.71 0.00 0.00 54.79 54.95 1twi n ASP 397 Cb 0.54 -4.85 0.20 0.00 -0.02 0.00 0.00 41.12 36.99 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 -4.13 1.95 0.34 2.53 0.24 -0.72 -4.66 118.33 113.88 1twi n VAL 398 Ca -0.28 -1.84 0.15 0.00 -2.04 0.00 0.00 64.34 60.32 1twi n VAL 398 Cb 0.67 -0.12 0.52 0.00 -1.47 0.00 0.00 33.84 33.44 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 1.18 0.00 -4.91 7.63 0.00 -1.41 -3.33 103.07 102.23 1twi h GLY 399 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 1twi h GLY 399 CO 0.12 0.00 -0.88 0.00 0.00 0.00 0.00 176.54 175.78 1twi s ALA 400 N -3.44 2.21 -1.54 3.60 0.00 -1.26 -4.50 121.76 116.84 1twi s ALA 400 Ca 0.04 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 1twi s ALA 400 Cb 0.09 -0.68 0.09 0.00 0.00 0.00 0.00 23.12 22.61 1twi s ALA 400 CO 0.52 0.44 0.90 0.66 0.00 0.00 0.00 175.76 178.29 1twi n TYR 401 N 2.84 -2.14 0.00 0.00 4.01 -0.07 -4.90 117.16 116.89 1twi n TYR 401 Ca -0.17 0.88 0.00 0.00 -0.16 0.00 0.00 57.90 58.44 1twi n TYR 401 Cb 0.52 -3.83 0.00 0.00 -0.31 0.00 0.00 39.34 35.72 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 -1.65 0.32 0.27 2.72 0.00 -1.25 -4.57 105.19 101.02 1twi n GLY 402 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.71 0.00 -0.61 6.09 -1.76 -2.28 117.51 119.66 1twi h ILE 403 Ca 0.00 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 1twi h ILE 403 Cb 0.00 1.18 0.00 0.00 0.47 0.00 0.00 36.82 38.47 1twi h ILE 403 CO 0.00 0.07 0.00 0.77 -3.07 0.00 0.00 178.15 175.92 1twi h SER 404 N 0.00 0.00 -0.25 2.19 4.64 -1.86 -2.20 113.55 116.08 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 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1twi h SER 404 CO 0.01 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.20 1twi n MET 405 N -2.61 2.88 -1.55 4.77 2.81 -0.88 -5.04 117.12 117.50 1twi n MET 405 Ca 0.01 -1.97 -0.32 0.00 -1.81 0.00 0.00 57.70 53.61 1twi n MET 405 Cb 0.24 -1.24 0.07 0.00 -0.71 0.00 0.00 33.22 31.58 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 -1.14 2.35 0.07 3.04 0.00 -0.83 -4.69 121.76 120.55 1twi s ALA 406 Ca 0.19 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 1twi s ALA 406 Cb 0.11 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1twi s ALA 406 CO 0.11 -1.52 0.10 0.27 0.00 0.00 0.00 175.76 174.72 1twi n ASN 407 N -2.83 -0.28 -1.34 0.00 6.94 0.03 -5.02 115.26 112.76 1twi n ASN 407 Ca 0.10 -1.35 -0.05 0.00 -0.02 0.00 0.00 54.58 53.26 1twi n ASN 407 Cb 0.52 0.51 0.21 0.00 -2.36 0.00 0.00 39.78 38.67 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 -1.91 3.08 -4.68 0.53 3.02 -1.26 -4.53 115.26 109.50 1twi n ASN 408 Ca -0.00 -3.58 -0.43 0.00 -0.03 0.00 0.00 54.58 50.54 1twi n ASN 408 Cb 0.11 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 38.62 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 -0.96 2.08 -1.41 3.10 9.36 -1.26 -0.92 117.16 127.15 1twi n TYR 409 Ca 0.36 0.57 -0.10 0.00 3.32 0.00 0.00 57.90 62.05 1twi n TYR 409 Cb 1.14 -2.38 -0.04 0.00 -0.63 0.00 0.00 39.34 37.43 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 0.77 -4.09 -3.65 2.98 5.03 -1.26 -3.47 115.26 111.57 1twi n ASN 410 Ca 0.06 0.21 -0.21 0.00 0.87 0.00 0.00 54.58 55.51 1twi n ASN 410 Cb 0.36 -2.58 0.04 0.00 -1.02 0.00 0.00 39.78 36.58 1twi n ASN 410 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1twi n ALA 411 N 0.83 -2.09 -2.72 5.41 0.00 -0.10 -5.01 120.51 116.83 1twi n ALA 411 Ca -0.10 -0.14 -0.33 0.00 0.00 0.00 0.00 53.44 52.86 1twi n ALA 411 Cb 0.36 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.28 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 -5.82 2.88 0.49 0.00 0.52 -1.03 -5.07 118.95 110.91 1twi s ARG 412 Ca 0.07 -0.68 -0.21 0.00 -0.52 0.00 0.00 55.73 54.39 1twi s ARG 412 Cb -0.02 -2.50 -0.07 0.00 0.52 0.00 0.00 34.95 32.88 1twi s ARG 412 CO 0.80 0.47 1.11 0.20 0.02 0.00 0.00 175.30 177.90 1twi s GLY 413 N -0.31 2.67 0.54 -3.53 0.00 -1.26 -4.24 107.32 101.19 1twi s GLY 413 Ca 0.03 0.80 -0.20 0.00 0.00 0.00 0.00 44.72 45.35 1twi s GLY 413 CO 0.03 1.18 1.15 0.50 0.00 0.00 0.00 173.10 175.96 1twi s ARG 414 N -2.98 3.34 0.87 2.90 0.52 -1.26 -4.76 118.95 117.58 1twi s ARG 414 Ca 0.67 1.66 -0.12 0.00 -0.52 0.00 0.00 55.73 57.42 1twi s ARG 414 Cb -0.23 -2.03 0.11 0.00 0.52 0.00 0.00 34.95 33.31 1twi s ARG 414 CO 0.28 -0.87 1.11 -1.25 0.02 0.00 0.00 175.30 174.59 1twi s PRO 415 N -3.23 1.48 0.70 3.54 0.04 -1.26 -2.56 135.00 133.71 1twi s PRO 415 Ca 0.73 0.52 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 1twi s PRO 415 Cb -0.25 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1twi s PRO 415 CO 0.29 -2.01 1.08 1.03 0.04 0.00 0.00 177.00 177.42 1twi s ARG 416 N -5.15 2.73 -0.04 4.56 0.52 -1.26 -4.48 118.95 115.82 1twi s ARG 416 Ca 0.63 1.13 -0.02 0.00 -0.52 0.00 0.00 55.73 56.95 1twi s ARG 416 Cb -0.15 -1.96 0.02 0.00 0.52 0.00 0.00 34.95 33.38 1twi s ARG 416 CO 0.55 -1.27 0.10 1.41 0.02 0.00 0.00 175.30 176.10 1twi s MET 417 N -4.70 0.07 0.24 3.54 -2.45 -0.60 -1.69 119.30 113.70 1twi s MET 417 Ca 0.61 0.22 0.11 0.00 -1.25 0.00 0.00 55.69 55.39 1twi s MET 417 Cb -0.16 -0.09 -0.05 0.00 1.25 0.00 0.00 34.83 35.78 1twi s MET 417 CO 0.51 -0.10 -0.16 0.14 1.05 0.00 0.00 175.02 176.45 1twi s VAL 418 N 0.66 2.71 -0.15 10.11 -7.23 -0.06 -0.32 120.40 126.11 1twi s VAL 418 Ca -0.05 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 57.99 1twi s VAL 418 Cb -0.07 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1twi s VAL 418 CO -0.03 -0.27 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.18 1twi s LEU 419 N -3.20 2.87 -0.14 1.32 2.96 0.89 0.02 118.68 123.39 1twi s LEU 419 Ca 0.27 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 1twi s LEU 419 Cb -0.07 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1twi s LEU 419 CO 0.14 0.13 0.11 0.42 -1.32 0.00 0.00 176.35 175.83 1twi s THR 420 N 0.58 5.24 0.36 3.68 -4.23 -0.05 -1.03 115.64 120.18 1twi s THR 420 Ca -0.06 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 60.45 1twi s THR 420 Cb -0.15 -3.31 0.04 0.00 1.34 0.00 0.00 72.50 70.42 1twi s THR 420 CO 0.03 0.56 0.68 -0.94 -0.54 0.00 0.00 174.62 174.41 1twi s SER 421 N -0.51 0.27 0.54 3.99 1.04 -0.56 -1.27 113.70 117.19 1twi s SER 421 Ca 0.12 -1.21 0.30 0.00 0.48 0.00 0.00 55.95 55.63 1twi s SER 421 Cb -0.12 0.78 1.51 0.00 0.10 0.00 0.00 66.02 68.30 1twi s SER 421 CO 0.02 -1.54 2.07 0.11 0.98 0.00 0.00 173.24 174.89 1twi h LYS 422 N 2.04 0.00 0.00 4.02 1.79 -1.98 -1.97 116.57 120.47 1twi h LYS 422 Ca -0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1twi h LYS 422 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1twi h LYS 422 CO 0.39 0.10 -0.06 1.63 -1.08 0.00 0.00 179.45 180.43 1twi n LYS 423 N -3.47 0.04 0.00 3.15 4.76 -1.26 -5.03 118.16 116.35 1twi n LYS 423 Ca -0.01 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1twi n LYS 423 Cb 0.24 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1twi n LYS 423 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1twi n GLY 424 N 1.47 0.85 3.48 0.72 0.00 -0.74 -5.05 105.19 105.92 1twi n GLY 424 Ca 0.07 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.39 3.64 -0.01 1.61 1.01 -1.26 -1.50 120.40 122.51 1twi s VAL 425 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1twi s VAL 425 Cb 0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1twi s VAL 425 CO 0.00 0.52 -0.18 -0.36 0.00 0.00 0.00 175.10 175.08 1twi s PHE 426 N 0.20 1.56 -0.20 5.22 0.40 -0.20 -4.95 117.98 120.02 1twi s PHE 426 Ca -0.04 -0.30 -0.29 0.00 -0.60 0.00 0.00 56.93 55.69 1twi s PHE 426 Cb -0.14 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 1twi s PHE 426 CO 0.04 -0.01 1.36 -1.17 0.70 0.00 0.00 175.22 176.14 1twi s LEU 427 N -0.51 4.06 0.00 -0.37 2.96 -1.26 -0.08 118.68 123.48 1twi s LEU 427 Ca 0.07 1.59 0.08 0.00 -0.22 0.00 0.00 54.13 55.64 1twi s LEU 427 Cb -0.07 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1twi s LEU 427 CO -0.00 -0.94 0.48 2.30 -1.32 0.00 0.00 176.35 176.87 1twi n ILE 428 N 5.78 0.00 -3.69 6.68 -5.35 0.56 -4.90 119.36 118.45 1twi n ILE 428 Ca 0.15 -0.39 -0.16 0.00 -0.27 0.00 0.00 62.75 62.08 1twi n ILE 428 Cb 0.45 1.07 -0.15 0.00 -1.74 0.00 0.00 39.64 39.27 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 -1.32 0.06 0.48 6.28 3.52 -0.72 -4.75 118.95 122.50 1twi s ARG 429 Ca 0.05 0.52 -0.19 0.00 -0.13 0.00 0.00 55.73 55.99 1twi s ARG 429 Cb 0.06 -0.23 -0.09 0.00 -1.56 0.00 0.00 34.95 33.13 1twi s ARG 429 CO 0.23 -0.27 0.98 -2.00 -0.81 0.00 0.00 175.30 173.43 1twi s GLU 430 N 1.99 4.02 0.69 5.12 2.56 -1.26 -1.56 118.70 130.26 1twi s GLU 430 Ca -0.01 1.09 -0.11 0.00 0.00 0.00 0.00 54.97 55.94 1twi s GLU 430 Cb -0.12 -2.14 0.00 0.00 2.00 0.00 0.00 34.13 33.87 1twi s GLU 430 CO -0.06 -0.22 1.08 -0.98 -0.56 0.00 0.00 175.26 174.52 1twi s ARG 431 N -3.58 2.98 -0.13 4.30 1.04 -1.26 -4.59 118.95 117.71 1twi s ARG 431 Ca 0.61 0.59 -0.10 0.00 -1.04 0.00 0.00 55.73 55.79 1twi s ARG 431 Cb -0.11 -2.02 -0.05 0.00 -2.04 0.00 0.00 34.95 30.73 1twi s ARG 431 CO 0.22 -0.97 0.21 -1.21 -0.04 0.00 0.00 175.30 173.50 1twi s GLU 432 N -5.27 3.83 0.68 3.89 2.02 -1.06 -4.98 118.70 117.80 1twi s GLU 432 Ca 0.58 -0.03 -0.01 0.00 0.02 0.00 0.00 54.97 55.53 1twi s GLU 432 Cb -0.12 -3.29 0.10 0.00 0.10 0.00 0.00 34.13 30.92 1twi s GLU 432 CO 0.53 0.56 0.94 0.95 0.02 0.00 0.00 175.26 178.26 1twi s THR 433 N -0.45 2.30 0.31 3.63 -4.23 -1.26 -4.45 115.64 111.48 1twi s THR 433 Ca 0.15 -0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1twi s THR 433 Cb -0.13 -2.74 0.27 0.00 1.34 0.00 0.00 72.50 71.24 1twi s THR 433 CO 0.04 0.00 1.97 1.88 -0.54 0.00 0.00 174.62 177.97 1twi h TYR 434 N -0.40 0.97 -0.43 3.99 0.05 -1.98 -1.24 116.97 117.92 1twi h TYR 434 Ca -0.39 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.38 1twi h TYR 434 Cb 1.28 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.67 1twi h TYR 434 CO -0.00 0.59 0.13 0.00 -1.05 0.00 0.00 178.16 177.83 1twi h ALA 435 N 1.52 1.42 -0.28 3.88 0.00 -2.00 -2.38 119.26 121.42 1twi h ALA 435 Ca 0.30 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1twi h ALA 435 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1twi h ALA 435 CO -0.07 0.43 -0.05 -0.44 0.00 0.00 0.00 179.25 179.11 1twi h ASP 436 N 0.62 0.41 -0.81 0.00 3.32 -1.60 -2.71 116.42 115.66 1twi h ASP 436 Ca 0.15 -0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.23 1twi h ASP 436 Cb 0.20 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 1twi h ASP 436 CO -0.01 0.52 0.53 -0.07 -1.72 0.00 0.00 179.24 178.48 1twi h LEU 437 N 0.41 0.63 -3.04 1.55 3.38 -1.12 -2.51 115.31 114.61 1twi h LEU 437 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1twi h LEU 437 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1twi h LEU 437 CO 0.02 0.36 0.00 2.30 0.09 0.00 0.00 178.44 181.21 1twi n ILE 438 N -4.51 1.54 0.41 1.22 -5.35 -1.14 -4.66 119.36 106.87 1twi n ILE 438 Ca 0.14 -1.29 0.09 0.00 -0.27 0.00 0.00 62.75 61.43 1twi n ILE 438 Cb 0.37 0.21 0.39 0.00 -1.74 0.00 0.00 39.64 38.87 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 0.42 1.60 0.47 -1.28 0.00 -0.95 -1.78 120.51 118.99 1twi n ALA 439 Ca 0.18 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.70 1twi n ALA 439 Cb 0.67 -1.30 0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.87 0.64 -3.24 0.00 4.76 -1.26 -5.01 118.16 112.17 1twi n LYS 440 Ca 0.02 -1.20 -0.39 0.00 -2.87 0.00 0.00 58.31 53.87 1twi n LYS 440 Cb 0.18 -1.22 -0.06 0.00 -1.84 0.00 0.00 35.03 32.09 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 -0.96 7.03 -0.10 4.39 1.01 -0.73 -5.07 116.67 122.23 1twi s ASP 441 Ca 0.14 1.22 0.01 0.00 0.71 0.00 0.00 52.55 54.63 1twi s ASP 441 Cb 0.10 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.68 1twi s ASP 441 CO 0.14 0.20 -0.13 -0.63 0.21 0.00 0.00 175.17 174.97 1twi s ILE 442 N -0.74 1.35 -0.18 0.77 -1.09 -1.26 -5.06 121.20 114.98 1twi s ILE 442 Ca 0.30 -0.55 -0.17 0.00 -2.23 0.00 0.00 60.65 58.00 1twi s ILE 442 Cb -0.19 -1.25 -0.04 0.00 -1.58 0.00 0.00 42.46 39.40 1twi s ILE 442 CO 0.18 0.41 0.45 -0.69 -1.23 0.00 0.00 174.94 174.06 1twi s VAL 443 N 1.07 5.17 0.72 2.92 1.01 -1.26 -5.05 120.40 124.98 1twi s VAL 443 Ca -0.06 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.59 1twi s VAL 443 Cb -0.15 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1twi s VAL 443 CO -0.02 0.25 1.22 -2.84 0.00 0.00 0.00 175.10 173.71 1twi s PRO 444 N 1.26 2.18 0.26 2.72 0.02 -1.26 -4.84 135.00 135.34 1twi s PRO 444 Ca 0.22 1.81 -0.02 0.00 0.02 0.00 0.00 61.00 63.03 1twi s PRO 444 Cb -0.15 -1.83 0.43 0.00 0.02 0.00 0.00 34.50 32.97 1twi s PRO 444 CO 0.09 -1.81 1.86 -1.35 -0.33 0.00 0.00 177.00 175.45 1twi h PRO 445 N -0.18 1.02 0.00 5.54 0.11 -1.98 -0.54 132.00 135.98 1twi h PRO 445 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1twi h PRO 445 Cb 1.30 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1twi h PRO 445 CO 0.50 0.68 0.00 -2.39 -0.21 0.00 0.00 178.00 176.58 1twi n HIS 446 N -4.58 0.00 0.27 0.65 1.44 -1.26 -2.18 115.22 109.56 1twi n HIS 446 Ca 0.16 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.95 1twi n HIS 446 Cb 0.24 -0.32 0.13 0.00 0.12 0.00 0.00 29.99 30.17 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 -1.32 2.77 0.00 2.39 4.77 -0.22 -5.27 117.00 120.12 1twi n LEU 447 Ca 0.07 -1.44 0.14 0.00 -0.03 0.00 0.00 56.01 54.76 1twi n LEU 447 Cb 0.14 -0.15 0.83 0.00 -2.33 0.00 0.00 43.42 41.92 1twi n LEU 447 CO 0.13 0.60 1.00 0.18 -1.33 0.00 0.00 177.39 177.98