#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1acy s VAL 2 N 0.00 3.58 0.00 5.09 1.01 -1.26 -4.58 120.40 124.25 1acy s VAL 2 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1acy s VAL 2 Cb 0.00 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1acy s VAL 2 CO 0.00 -0.00 -0.01 -0.75 0.00 0.00 0.00 175.10 174.34 1acy s LYS 3 N -2.56 0.08 -0.04 2.72 2.47 -0.11 -4.98 119.74 117.32 1acy s LYS 3 Ca 0.59 -0.13 0.05 0.00 -1.56 0.00 0.00 55.97 54.93 1acy s LYS 3 Cb -0.23 -0.01 -0.01 0.00 -1.46 0.00 0.00 37.83 36.12 1acy s LYS 3 CO 0.29 -0.00 -0.19 -0.51 0.16 0.00 0.00 175.35 175.10 1acy s LEU 4 N -0.28 1.96 -0.06 5.43 1.43 -1.26 -0.34 118.68 125.56 1acy s LEU 4 Ca -0.03 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1acy s LEU 4 Cb -0.02 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.18 1acy s LEU 4 CO -0.00 0.18 -0.02 -1.58 0.23 0.00 0.00 176.35 175.16 1acy s GLN 5 N -0.09 0.75 0.20 1.70 0.74 -1.18 -4.25 119.66 117.53 1acy s GLN 5 Ca -0.02 0.00 -0.19 0.00 0.05 0.00 0.00 55.36 55.20 1acy s GLN 5 Cb -0.11 -0.95 -0.08 0.00 1.10 0.00 0.00 33.01 32.97 1acy s GLN 5 CO 0.02 -0.21 0.70 -1.21 -0.55 0.00 0.00 175.29 174.03 1acy s GLU 6 N 1.53 4.24 -0.02 1.67 8.01 -1.26 -0.47 118.70 132.39 1acy s GLU 6 Ca -0.02 0.83 -0.06 0.00 0.01 0.00 0.00 54.97 55.74 1acy s GLU 6 Cb -0.13 -2.93 0.00 0.00 -4.31 0.00 0.00 34.13 26.76 1acy s GLU 6 CO -0.03 0.43 0.13 -1.54 0.01 0.00 0.00 175.26 174.26 1acy s SER 7 N -1.59 -0.02 0.00 -0.19 1.04 -0.10 -4.72 113.70 108.11 1acy s SER 7 Ca 0.41 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1acy s SER 7 Cb -0.17 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1acy s SER 7 CO 0.21 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1acy n GLY 8 N 2.02 0.09 3.76 7.32 0.00 -1.26 -1.52 105.19 115.59 1acy n GLY 8 Ca -0.19 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1acy n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1acy s PRO 9 N -2.00 4.47 0.31 1.61 0.04 -1.26 -4.95 135.00 133.22 1acy s PRO 9 Ca 0.00 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.13 1acy s PRO 9 Cb 0.00 -3.15 0.51 0.00 0.04 0.00 0.00 34.50 31.90 1acy s PRO 9 CO 0.00 -0.06 1.73 0.00 0.04 0.00 0.00 177.00 178.71 1acy h ALA 10 N 4.11 1.17 -2.99 8.56 0.00 -1.93 -3.44 119.26 124.75 1acy h ALA 10 Ca -0.47 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 53.88 1acy h ALA 10 Cb 1.22 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.70 1acy h ALA 10 CO 0.69 0.56 -0.56 0.54 0.00 0.00 0.00 179.25 180.48 1acy s VAL 11 N -4.17 0.07 -0.15 0.00 0.11 -1.26 -0.76 120.40 114.24 1acy s VAL 11 Ca -0.04 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.33 1acy s VAL 11 Cb 0.14 -0.32 0.04 0.00 -1.53 0.00 0.00 36.38 34.70 1acy s VAL 11 CO 0.76 -0.31 0.39 -0.51 -3.33 0.00 0.00 175.10 172.10 1acy s ILE 12 N -1.02 -0.01 0.26 7.04 2.07 0.05 -4.96 121.20 124.63 1acy s ILE 12 Ca -0.11 0.02 -0.30 0.00 -1.41 0.00 0.00 60.65 58.85 1acy s ILE 12 Cb -0.06 -0.55 -0.11 0.00 0.13 0.00 0.00 42.46 41.87 1acy s ILE 12 CO 0.01 0.01 1.53 -0.54 -1.91 0.00 0.00 174.94 174.04 1acy s LYS 13 N 0.48 4.19 0.19 3.50 3.01 -1.23 -0.60 119.74 129.29 1acy s LYS 13 Ca -0.02 2.44 -0.31 0.00 -1.01 0.00 0.00 55.97 57.07 1acy s LYS 13 Cb -0.04 -3.07 -0.16 0.00 -1.01 0.00 0.00 37.83 33.54 1acy s LYS 13 CO -0.02 -0.54 0.94 -0.35 0.51 0.00 0.00 175.35 175.89 1acy n PRO 14 N 2.50 0.79 -2.91 -1.68 -0.04 -1.26 -3.39 135.00 129.01 1acy n PRO 14 Ca 0.08 0.28 -0.05 0.00 -0.04 0.00 0.00 63.50 63.77 1acy n PRO 14 Cb 0.39 -1.61 0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1acy n PRO 14 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1acy n SER 15 N 1.75 -6.60 -3.90 3.54 7.64 -0.76 -4.96 113.62 110.33 1acy n SER 15 Ca 0.15 -0.29 -0.09 0.00 1.01 0.00 0.00 58.87 59.65 1acy n SER 15 Cb 0.25 -4.66 -0.05 0.00 -1.01 0.00 0.00 64.21 58.74 1acy n SER 15 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1acy s GLN 16 N -3.50 1.46 -0.36 1.43 -0.21 -1.22 -4.85 119.66 112.42 1acy s GLN 16 Ca 0.16 -1.10 -0.21 0.00 0.02 0.00 0.00 55.36 54.23 1acy s GLN 16 Cb -0.02 0.49 0.00 0.00 1.00 0.00 0.00 33.01 34.48 1acy s GLN 16 CO 0.64 -0.61 0.69 -1.54 -2.12 0.00 0.00 175.29 172.35 1acy s SER 17 N -2.96 6.47 0.06 5.90 1.04 -1.26 -2.13 113.70 120.82 1acy s SER 17 Ca 0.17 0.23 -0.30 0.00 0.48 0.00 0.00 55.95 56.52 1acy s SER 17 Cb -0.01 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.71 1acy s SER 17 CO 0.04 -0.64 1.13 -0.22 0.98 0.00 0.00 173.24 174.53 1acy s LEU 18 N 2.84 4.39 -0.10 2.42 2.96 0.22 -4.92 118.68 126.48 1acy s LEU 18 Ca 0.27 1.93 -0.02 0.00 -0.22 0.00 0.00 54.13 56.09 1acy s LEU 18 Cb -0.14 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.01 1acy s LEU 18 CO 0.15 -0.38 0.04 -0.94 -1.32 0.00 0.00 176.35 173.90 1acy s SER 19 N 0.89 1.80 0.30 3.68 1.04 -1.26 0.16 113.70 120.31 1acy s SER 19 Ca 0.56 -0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.82 1acy s SER 19 Cb -0.27 -0.36 -0.03 0.00 0.10 0.00 0.00 66.02 65.46 1acy s SER 19 CO 0.30 -0.25 0.24 -0.76 0.98 0.00 0.00 173.24 173.75 1acy s LEU 20 N 2.03 3.66 -0.02 2.42 1.43 0.10 -4.71 118.68 123.60 1acy s LEU 20 Ca 0.04 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1acy s LEU 20 Cb -0.14 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.86 1acy s LEU 20 CO -0.06 -0.22 -0.05 -0.89 0.23 0.00 0.00 176.35 175.37 1acy s THR 21 N -2.24 0.44 -0.16 5.49 2.01 -0.58 -1.70 115.64 118.90 1acy s THR 21 Ca 0.37 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 1acy s THR 21 Cb -0.06 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1acy s THR 21 CO 0.26 0.16 -0.12 0.00 -0.69 0.00 0.00 174.62 174.23 1acy s ILE 23 N 0.77 3.45 0.49 0.00 1.01 0.38 -1.31 121.20 125.99 1acy s ILE 23 Ca -0.05 -2.35 -0.22 0.00 0.00 0.00 0.00 60.65 58.03 1acy s ILE 23 Cb -0.15 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 1acy s ILE 23 CO 0.01 -0.76 1.16 -0.69 0.00 0.00 0.00 174.94 174.66 1acy s VAL 24 N 0.74 3.09 -0.09 2.92 1.01 -1.10 -3.09 120.40 123.88 1acy s VAL 24 Ca 0.11 0.77 -0.07 0.00 0.00 0.00 0.00 61.98 62.79 1acy s VAL 24 Cb -0.22 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1acy s VAL 24 CO -0.04 -0.05 0.23 -0.55 0.00 0.00 0.00 175.10 174.69 1acy s SER 25 N -1.47 -0.24 -0.73 3.32 0.15 0.53 -4.76 113.70 110.51 1acy s SER 25 Ca 0.67 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1acy s SER 25 Cb -0.28 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1acy s SER 25 CO 0.33 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.28 1acy n GLY 26 N 3.29 0.25 3.64 9.45 0.00 -1.26 -0.93 105.19 119.62 1acy n GLY 26 Ca -0.16 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 1acy n GLY 26 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1acy s PHE 27 N -2.38 -0.07 0.06 1.61 2.19 -1.26 -4.29 117.98 113.83 1acy s PHE 27 Ca 0.00 0.14 -0.07 0.00 0.33 0.00 0.00 56.93 57.33 1acy s PHE 27 Cb 0.00 0.49 -0.05 0.00 -1.31 0.00 0.00 43.02 42.15 1acy s PHE 27 CO 0.00 -0.06 0.32 0.45 1.83 0.00 0.00 175.22 177.77 1acy s SER 28 N -0.71 6.52 0.24 6.13 0.15 -1.26 -4.89 113.70 119.89 1acy s SER 28 Ca 0.08 0.61 -0.06 0.00 0.70 0.00 0.00 55.95 57.28 1acy s SER 28 Cb -0.02 -2.10 0.45 0.00 -1.71 0.00 0.00 66.02 62.63 1acy s SER 28 CO -0.09 0.18 1.68 0.40 1.20 0.00 0.00 173.24 176.61 1acy h ILE 29 N 2.73 0.49 -0.19 6.45 2.04 -1.92 -2.81 117.51 124.29 1acy h ILE 29 Ca -0.49 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1acy h ILE 29 Cb 1.19 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1acy h ILE 29 CO 0.68 0.04 0.00 0.35 0.00 0.00 0.00 178.15 179.22 1acy n THR 30 N -5.19 0.25 -2.01 -0.27 -2.24 -1.26 -4.24 114.28 99.33 1acy n THR 30 Ca 0.14 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1acy n THR 30 Cb 0.46 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 1acy n THR 30 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1acy s ARG 31 N -1.75 4.27 0.70 -0.78 3.52 -1.06 -4.84 118.95 119.02 1acy s ARG 31 Ca 0.21 2.34 -0.14 0.00 -0.13 0.00 0.00 55.73 58.00 1acy s ARG 31 Cb 0.11 -3.04 0.02 0.00 -1.56 0.00 0.00 34.95 30.48 1acy s ARG 31 CO 0.15 -0.31 1.12 0.95 -0.81 0.00 0.00 175.30 176.41 1acy s THR 32 N -1.09 3.07 0.00 4.11 -4.23 -1.26 -3.66 115.64 112.58 1acy s THR 32 Ca 0.51 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 1acy s THR 32 Cb -0.42 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1acy s THR 32 CO 0.56 -0.33 0.00 0.59 -0.54 0.00 0.00 174.62 174.89 1acy n ASN 33 N -2.72 0.00 -4.77 3.99 3.02 -1.26 -5.03 115.26 108.49 1acy n ASN 33 Ca 0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.27 1acy n ASN 33 Cb 0.52 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 1acy n ASN 33 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1acy s TYR 34 N -1.49 3.82 0.12 3.10 1.51 -1.24 -0.46 117.35 122.71 1acy s TYR 34 Ca 0.00 1.84 0.10 0.00 -1.01 0.00 0.00 57.07 58.00 1acy s TYR 34 Cb 0.00 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.84 1acy s TYR 34 CO 0.00 0.27 -0.25 0.00 -1.11 0.00 0.00 175.55 174.46 1acy s TRP 35 N -1.09 2.89 0.36 0.00 0.52 0.73 -1.99 118.94 120.36 1acy s TRP 35 Ca 0.12 -1.15 0.07 0.00 0.02 0.00 0.00 56.10 55.16 1acy s TRP 35 Cb -0.10 -2.03 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 1acy s TRP 35 CO 0.06 -0.61 0.33 -1.01 0.02 0.00 0.00 176.95 175.73 1acy s HIS 35 N 1.34 2.86 -0.08 -1.98 3.76 -0.27 -0.29 115.29 120.64 1acy s HIS 35 Ca 0.04 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 54.65 1acy s HIS 35 Cb -0.14 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1acy s HIS 35 CO -0.06 0.09 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.13 1acy s TRP 36 N -2.34 2.18 -0.01 1.40 0.52 -0.34 -2.00 118.94 118.34 1acy s TRP 36 Ca 0.43 -0.83 0.02 0.00 0.02 0.00 0.00 56.10 55.74 1acy s TRP 36 Cb -0.05 -1.48 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 1acy s TRP 36 CO 0.27 -0.33 -0.05 0.42 0.02 0.00 0.00 176.95 177.28 1acy s ILE 37 N 0.33 0.46 0.11 2.03 1.01 -0.43 -0.64 121.20 124.08 1acy s ILE 37 Ca -0.15 -0.20 0.10 0.00 0.00 0.00 0.00 60.65 60.40 1acy s ILE 37 Cb -0.16 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 1acy s ILE 37 CO 0.06 0.15 -0.25 -0.60 0.00 0.00 0.00 174.94 174.31 1acy s ARG 38 N 0.14 1.34 -0.14 2.79 3.00 -0.50 0.67 118.95 126.24 1acy s ARG 38 Ca -0.01 -1.25 -0.04 0.00 -1.00 0.00 0.00 55.73 53.42 1acy s ARG 38 Cb -0.05 -1.72 0.06 0.00 0.00 0.00 0.00 34.95 33.23 1acy s ARG 38 CO -0.00 0.41 0.10 -1.14 0.00 0.00 0.00 175.30 174.66 1acy s GLN 39 N -1.91 0.04 0.37 5.12 0.74 0.24 -0.97 119.66 123.29 1acy s GLN 39 Ca 0.11 0.06 -0.28 0.00 0.05 0.00 0.00 55.36 55.31 1acy s GLN 39 Cb -0.10 -1.44 -0.10 0.00 1.10 0.00 0.00 33.01 32.47 1acy s GLN 39 CO 0.05 -0.58 1.36 0.00 -0.55 0.00 0.00 175.29 175.57 1acy s ALA 40 N 2.17 3.45 0.37 1.58 0.00 -1.26 -0.70 121.76 127.37 1acy s ALA 40 Ca 0.03 1.35 -0.25 0.00 0.00 0.00 0.00 51.96 53.09 1acy s ALA 40 Cb -0.15 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.32 1acy s ALA 40 CO -0.08 -0.82 0.84 -2.30 0.00 0.00 0.00 175.76 173.40 1acy n PRO 41 N 0.50 1.03 -1.51 0.00 -0.02 -1.26 -2.02 135.00 131.72 1acy n PRO 41 Ca 0.01 0.37 -0.18 0.00 -2.02 0.00 0.00 63.50 61.69 1acy n PRO 41 Cb 0.41 -1.76 -0.08 0.00 -0.02 0.00 0.00 33.50 32.06 1acy n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1acy n GLY 42 N 1.42 1.67 0.65 -1.23 0.00 -1.26 -4.93 105.19 101.51 1acy n GLY 42 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1acy n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1acy n LYS 43 N -2.14 1.21 -2.39 1.61 5.02 -0.86 -5.16 118.16 115.45 1acy n LYS 43 Ca -0.18 -0.67 -0.24 0.00 -2.02 0.00 0.00 58.31 55.21 1acy n LYS 43 Cb 0.58 0.29 0.05 0.00 -0.02 0.00 0.00 35.03 35.94 1acy n LYS 43 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1acy s GLY 44 N -1.49 1.74 0.31 0.72 0.00 -1.26 -4.76 107.32 102.58 1acy s GLY 44 Ca 0.02 -1.09 -0.29 0.00 0.00 0.00 0.00 44.72 43.36 1acy s GLY 44 CO 0.02 -0.74 1.36 1.08 0.00 0.00 0.00 173.10 174.82 1acy s LEU 45 N -5.03 4.40 -0.03 0.66 1.43 -1.26 -4.19 118.68 114.65 1acy s LEU 45 Ca 0.59 2.72 0.02 0.00 -1.03 0.00 0.00 54.13 56.42 1acy s LEU 45 Cb -0.11 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.48 1acy s LEU 45 CO 0.42 -0.62 -0.08 -1.83 0.23 0.00 0.00 176.35 174.47 1acy s GLU 46 N -1.39 0.95 0.33 1.70 -1.05 -0.14 -4.99 118.70 114.11 1acy s GLU 46 Ca 0.52 -0.27 -0.28 0.00 -0.15 0.00 0.00 54.97 54.79 1acy s GLU 46 Cb -0.41 -0.89 -0.09 0.00 -0.44 0.00 0.00 34.13 32.30 1acy s GLU 46 CO 0.51 0.08 1.15 -0.46 0.95 0.00 0.00 175.26 177.49 1acy s TRP 47 N 0.31 3.32 -0.01 4.83 -0.00 -1.26 -1.41 118.94 124.73 1acy s TRP 47 Ca -0.05 1.61 0.00 0.00 -0.00 0.00 0.00 56.10 57.66 1acy s TRP 47 Cb -0.10 -3.37 -0.01 0.00 -0.00 0.00 0.00 33.47 30.00 1acy s TRP 47 CO 0.01 -0.99 0.00 -1.33 -0.00 0.00 0.00 176.95 174.63 1acy n MET 48 N 0.73 3.11 0.00 5.86 2.81 0.19 -4.72 117.12 125.09 1acy n MET 48 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1acy n MET 48 Cb 0.45 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 1acy n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1acy n GLY 49 N 3.06 2.26 3.17 3.03 0.00 -1.20 -1.21 105.19 114.30 1acy n GLY 49 Ca -0.01 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 1acy n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1acy s ARG 50 N -2.00 0.82 -0.21 1.61 1.70 0.03 -1.20 118.95 119.70 1acy s ARG 50 Ca 0.00 -1.27 -0.02 0.00 -0.47 0.00 0.00 55.73 53.97 1acy s ARG 50 Cb 0.00 -0.28 0.06 0.00 -0.57 0.00 0.00 34.95 34.16 1acy s ARG 50 CO 0.00 0.01 0.04 -1.50 -1.08 0.00 0.00 175.30 172.76 1acy s ILE 51 N -3.26 0.62 0.24 4.99 2.07 0.61 -0.67 121.20 125.80 1acy s ILE 51 Ca 0.09 -0.68 -0.30 0.00 -1.41 0.00 0.00 60.65 58.35 1acy s ILE 51 Cb 0.03 -1.14 -0.09 0.00 0.13 0.00 0.00 42.46 41.39 1acy s ILE 51 CO -0.03 -0.25 1.03 0.00 -1.91 0.00 0.00 174.94 173.78 1acy n TYR 53 N 1.62 0.17 -0.47 0.00 4.11 0.05 0.11 117.16 122.75 1acy n TYR 53 Ca -0.01 0.23 -0.15 0.00 -0.00 0.00 0.00 57.90 57.97 1acy n TYR 53 Cb 0.46 -0.68 0.08 0.00 -0.00 0.00 0.00 39.34 39.21 1acy n TYR 53 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1acy n GLU 54 N -3.75 1.76 0.00 -3.48 -0.00 -1.26 -4.37 120.64 109.55 1acy n GLU 54 Ca 0.06 -1.69 0.00 0.00 -0.00 0.00 0.00 57.16 55.52 1acy n GLU 54 Cb 0.20 -1.66 0.00 0.00 -0.00 0.00 0.00 31.44 29.97 1acy n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1acy n GLY 55 N -0.20 2.91 3.74 -1.84 0.00 0.29 -5.01 105.19 105.08 1acy n GLY 55 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 1acy n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1acy s SER 56 N -2.05 6.58 0.08 1.61 0.01 -1.23 -4.73 113.70 113.97 1acy s SER 56 Ca 0.00 2.72 0.07 0.00 1.31 0.00 0.00 55.95 60.05 1acy s SER 56 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1acy s SER 56 CO 0.00 -0.77 -0.14 -0.63 0.41 0.00 0.00 173.24 172.12 1acy s ILE 57 N 0.16 3.12 -0.14 1.44 1.01 -1.26 0.00 121.20 125.54 1acy s ILE 57 Ca 0.62 -1.25 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 1acy s ILE 57 Cb -0.43 -2.41 0.04 0.00 0.01 0.00 0.00 42.46 39.67 1acy s ILE 57 CO 0.42 0.20 0.35 -0.47 0.00 0.00 0.00 174.94 175.45 1acy s TYR 58 N -1.10 -0.44 0.03 3.97 5.04 0.16 -4.97 117.35 120.03 1acy s TYR 58 Ca 0.18 1.03 0.07 0.00 -2.44 0.00 0.00 57.07 55.91 1acy s TYR 58 Cb -0.11 0.16 -0.03 0.00 0.35 0.00 0.00 41.96 42.33 1acy s TYR 58 CO 0.10 -0.24 -0.19 0.71 -1.34 0.00 0.00 175.55 174.58 1acy s TYR 59 N 0.73 2.53 0.13 4.97 1.51 -1.26 -0.79 117.35 125.16 1acy s TYR 59 Ca -0.04 -0.28 -0.31 0.00 -1.01 0.00 0.00 57.07 55.42 1acy s TYR 59 Cb -0.06 -1.47 -0.10 0.00 -0.11 0.00 0.00 41.96 40.23 1acy s TYR 59 CO -0.05 0.21 1.64 -1.12 -1.11 0.00 0.00 175.55 175.12 1acy s SER 60 N -1.29 6.56 0.22 2.29 0.01 -0.35 -4.76 113.70 116.39 1acy s SER 60 Ca 0.14 2.60 -0.30 0.00 1.31 0.00 0.00 55.95 59.69 1acy s SER 60 Cb -0.10 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.40 1acy s SER 60 CO 0.04 -0.88 1.06 -0.81 0.41 0.00 0.00 173.24 173.06 1acy n PRO 61 N 4.78 1.18 0.00 12.44 -0.04 -1.26 -0.87 135.00 151.23 1acy n PRO 61 Ca 0.15 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1acy n PRO 61 Cb 0.39 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1acy n PRO 61 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1acy n SER 62 N 1.68 0.00 0.08 3.54 3.41 -1.26 -4.63 113.62 116.45 1acy n SER 62 Ca 0.13 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.76 1acy n SER 62 Cb 0.28 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1acy n SER 62 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1acy h ILE 63 N 0.00 0.60 -0.97 -1.33 5.03 -1.33 -3.41 117.51 116.10 1acy h ILE 63 Ca 0.00 -1.99 0.31 0.00 -0.12 0.00 0.00 64.86 63.06 1acy h ILE 63 Cb 0.00 2.15 -0.17 0.00 -3.03 0.00 0.00 36.82 35.76 1acy h ILE 63 CO 0.00 0.34 0.26 0.50 -0.68 0.00 0.00 178.15 178.57 1acy h LYS 64 N 0.00 0.06 -0.64 2.37 3.64 -1.31 0.26 116.57 120.95 1acy h LYS 64 Ca -0.08 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1acy h LYS 64 Cb 1.45 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1acy h LYS 64 CO 0.05 0.04 0.00 -1.13 -2.27 0.00 0.00 179.45 176.14 1acy n SER 65 N -5.34 4.44 -2.66 4.20 3.41 -1.26 -3.62 113.62 112.79 1acy n SER 65 Ca 0.28 -2.48 -0.01 0.00 -0.26 0.00 0.00 58.87 56.40 1acy n SER 65 Cb 0.93 -0.57 0.07 0.00 -0.26 0.00 0.00 64.21 64.38 1acy n SER 65 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1acy n ARG 66 N 0.88 1.46 -3.76 4.33 1.85 0.91 -5.06 116.66 117.27 1acy n ARG 66 Ca 0.23 -2.49 -0.13 0.00 -1.00 0.00 0.00 57.85 54.46 1acy n ARG 66 Cb 0.86 -0.70 -0.08 0.00 -1.05 0.00 0.00 32.46 31.49 1acy n ARG 66 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1acy s SER 67 N -2.63 -0.16 -0.25 2.89 0.15 -1.13 -2.24 113.70 110.34 1acy s SER 67 Ca 0.20 -0.03 -0.07 0.00 0.70 0.00 0.00 55.95 56.75 1acy s SER 67 Cb 0.36 0.33 0.12 0.00 -1.71 0.00 0.00 66.02 65.11 1acy s SER 67 CO -0.08 -0.51 0.52 -0.89 1.20 0.00 0.00 173.24 173.48 1acy s THR 68 N -1.79 -0.81 -0.32 6.45 2.01 -0.71 -4.96 115.64 115.51 1acy s THR 68 Ca -0.10 0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 1acy s THR 68 Cb -0.04 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 1acy s THR 68 CO 0.01 0.02 0.22 -0.63 -0.69 0.00 0.00 174.62 173.55 1acy s ILE 69 N 2.74 5.19 0.20 1.82 1.01 -1.26 -0.78 121.20 130.12 1acy s ILE 69 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.55 1acy s ILE 69 Cb -0.13 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 1acy s ILE 69 CO -0.16 0.07 -0.07 -0.94 0.00 0.00 0.00 174.94 173.83 1acy s SER 70 N 1.72 2.09 0.48 3.58 1.04 -1.20 -4.98 113.70 116.42 1acy s SER 70 Ca 0.06 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 55.40 1acy s SER 70 Cb -0.17 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 65.91 1acy s SER 70 CO 0.10 -0.35 0.11 -2.11 0.98 0.00 0.00 173.24 171.96 1acy n ARG 71 N -0.35 0.83 -3.35 4.02 1.85 -1.26 -0.53 116.66 117.87 1acy n ARG 71 Ca -0.08 -3.35 -0.15 0.00 -1.00 0.00 0.00 57.85 53.27 1acy n ARG 71 Cb 0.62 0.75 -0.07 0.00 -1.05 0.00 0.00 32.46 32.71 1acy n ARG 71 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1acy s ASP 72 N -3.69 0.92 0.33 2.89 -1.08 -0.12 -4.93 116.67 110.99 1acy s ASP 72 Ca 0.08 -1.47 0.08 0.00 -0.52 0.00 0.00 52.55 50.73 1acy s ASP 72 Cb -0.01 0.70 0.81 0.00 -1.46 0.00 0.00 42.92 42.96 1acy s ASP 72 CO 0.05 -0.26 1.80 0.74 0.52 0.00 0.00 175.17 178.02 1acy h THR 73 N 5.10 0.71 0.00 1.71 2.02 -1.98 0.11 112.91 120.58 1acy h THR 73 Ca 0.04 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 1acy h THR 73 Cb 1.07 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1acy h THR 73 CO 0.20 0.13 -0.63 0.77 0.37 0.00 0.00 175.52 176.36 1acy h SER 74 N 0.70 0.00 0.58 4.18 4.64 -1.96 -3.25 113.55 118.44 1acy h SER 74 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1acy h SER 74 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1acy h SER 74 CO -0.33 0.63 -1.34 0.18 -0.87 0.00 0.00 176.83 175.10 1acy n LEU 75 N -3.67 0.53 -2.55 5.97 4.77 0.18 -4.98 117.00 117.26 1acy n LEU 75 Ca -0.01 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1acy n LEU 75 Cb 0.65 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.74 1acy n LEU 75 CO 0.42 -0.09 0.02 -3.20 -1.33 0.00 0.00 177.39 173.21 1acy n ASN 76 N -2.43 -4.65 -3.82 -1.43 5.15 -0.11 -4.95 115.26 103.02 1acy n ASN 76 Ca -0.01 -0.43 -0.12 0.00 -0.60 0.00 0.00 54.58 53.43 1acy n ASN 76 Cb 0.54 -3.35 -0.09 0.00 -0.53 0.00 0.00 39.78 36.36 1acy n ASN 76 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1acy s LYS 77 N -3.90 0.66 0.29 1.20 -2.85 -1.19 -2.71 119.74 111.24 1acy s LYS 77 Ca 0.26 -0.45 0.05 0.00 -1.00 0.00 0.00 55.97 54.84 1acy s LYS 77 Cb -0.03 0.28 -0.06 0.00 -2.06 0.00 0.00 37.83 35.96 1acy s LYS 77 CO 0.45 -0.19 -0.00 -0.59 0.10 0.00 0.00 175.35 175.12 1acy s PHE 78 N -1.98 1.92 0.28 1.78 -0.71 -0.43 -0.94 117.98 117.91 1acy s PHE 78 Ca -0.09 -0.83 0.03 0.00 -1.04 0.00 0.00 56.93 55.00 1acy s PHE 78 Cb -0.04 -1.18 -0.04 0.00 -1.21 0.00 0.00 43.02 40.56 1acy s PHE 78 CO -0.00 0.14 0.19 -0.06 -1.34 0.00 0.00 175.22 174.14 1acy s PHE 79 N -3.16 1.51 -0.12 3.49 0.40 0.31 -0.25 117.98 120.16 1acy s PHE 79 Ca 0.32 -1.47 -0.14 0.00 -0.60 0.00 0.00 56.93 55.04 1acy s PHE 79 Cb 0.06 -0.72 0.04 0.00 0.51 0.00 0.00 43.02 42.91 1acy s PHE 79 CO 0.13 -0.67 0.39 -1.50 0.70 0.00 0.00 175.22 174.27 1acy s ILE 80 N -3.73 0.01 -0.11 0.64 2.07 -0.69 -3.27 121.20 116.11 1acy s ILE 80 Ca 0.38 -0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.56 1acy s ILE 80 Cb 0.05 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 42.06 1acy s ILE 80 CO 0.19 -0.05 -0.20 -1.58 -1.91 0.00 0.00 174.94 171.40 1acy s GLN 81 N -0.10 3.18 -0.26 3.50 0.74 0.04 0.02 119.66 126.78 1acy s GLN 81 Ca -0.03 -0.81 -0.00 0.00 0.05 0.00 0.00 55.36 54.58 1acy s GLN 81 Cb -0.03 -2.43 0.04 0.00 1.10 0.00 0.00 33.01 31.69 1acy s GLN 81 CO 0.01 0.19 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.36 1acy s LEU 82 N 0.36 3.34 0.39 3.68 2.01 0.12 -1.73 118.68 126.84 1acy s LEU 82 Ca -0.16 -1.09 -0.15 0.00 0.01 0.00 0.00 54.13 52.75 1acy s LEU 82 Cb -0.17 -1.63 -0.08 0.00 0.01 0.00 0.00 46.19 44.31 1acy s LEU 82 CO 0.07 -0.17 0.81 -0.63 1.01 0.00 0.00 176.35 177.45 1acy s ILE 82 N 1.25 4.64 -0.66 -0.59 -1.09 -0.95 0.68 121.20 124.49 1acy s ILE 82 Ca -0.03 0.98 -0.04 0.00 -2.23 0.00 0.00 60.65 59.33 1acy s ILE 82 Cb -0.18 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1acy s ILE 82 CO -0.05 -0.36 0.46 -1.54 -1.23 0.00 0.00 174.94 172.22 1acy n SER 82 N -0.81 -3.50 -4.71 3.58 3.41 -1.08 -4.90 113.62 105.60 1acy n SER 82 Ca 0.04 -0.77 -0.32 0.00 -0.26 0.00 0.00 58.87 57.56 1acy n SER 82 Cb 0.54 -1.19 0.13 0.00 -0.26 0.00 0.00 64.21 63.43 1acy n SER 82 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1acy s VAL 82 N -2.90 2.48 0.00 -3.33 -7.23 -0.91 -4.75 120.40 103.77 1acy s VAL 82 Ca 0.05 0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 1acy s VAL 82 Cb -0.03 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1acy s VAL 82 CO 0.68 -0.19 0.00 0.35 -0.31 0.00 0.00 175.10 175.63 1acy n THR 83 N -3.68 0.00 0.24 5.32 -2.24 -1.26 -1.83 114.28 110.84 1acy n THR 83 Ca 0.11 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 1acy n THR 83 Cb 0.52 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.37 1acy n THR 83 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1acy h ASN 84 N 0.00 0.00 0.04 3.42 4.21 -1.98 -0.96 115.58 120.31 1acy h ASN 84 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1acy h ASN 84 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1acy h ASN 84 CO 0.00 0.17 0.00 -0.62 -1.29 0.00 0.00 177.43 175.69 1acy n GLU 85 N -3.72 0.61 0.00 0.81 1.02 -1.26 -0.99 120.64 117.11 1acy n GLU 85 Ca -0.02 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.25 1acy n GLU 85 Cb 0.29 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.45 1acy n GLU 85 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1acy n ASP 86 N -1.03 0.69 -4.63 1.62 8.00 -0.36 -4.84 116.55 116.00 1acy n ASP 86 Ca 0.15 -0.48 -0.43 0.00 0.71 0.00 0.00 54.79 54.75 1acy n ASP 86 Cb 0.08 0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 1acy n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1acy s THR 87 N -2.88 4.02 0.22 -3.53 2.01 -0.17 -4.87 115.64 110.44 1acy s THR 87 Ca 0.14 1.15 -0.20 0.00 0.31 0.00 0.00 61.69 63.08 1acy s THR 87 Cb 0.18 -4.03 0.07 0.00 0.01 0.00 0.00 72.50 68.73 1acy s THR 87 CO 0.67 -0.42 0.99 0.00 -0.69 0.00 0.00 174.62 175.17 1acy n ALA 88 N 7.84 -2.53 -2.80 7.40 0.00 -0.62 -4.34 120.51 125.47 1acy n ALA 88 Ca 0.16 -1.06 -0.35 0.00 0.00 0.00 0.00 53.44 52.19 1acy n ALA 88 Cb 0.46 0.64 -0.09 0.00 0.00 0.00 0.00 19.45 20.46 1acy n ALA 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1acy s MET 89 N -2.06 3.83 -0.07 0.00 -2.45 0.13 -1.57 119.30 117.10 1acy s MET 89 Ca 0.22 -0.28 0.05 0.00 -1.25 0.00 0.00 55.69 54.42 1acy s MET 89 Cb -0.03 -3.21 -0.01 0.00 1.25 0.00 0.00 34.83 32.82 1acy s MET 89 CO 0.07 0.42 -0.22 0.71 1.05 0.00 0.00 175.02 177.04 1acy s TYR 90 N -0.02 2.53 0.07 4.11 1.51 0.32 0.83 117.35 126.70 1acy s TYR 90 Ca 0.07 -0.71 0.07 0.00 -1.01 0.00 0.00 57.07 55.49 1acy s TYR 90 Cb -0.12 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1acy s TYR 90 CO 0.01 -0.21 -0.18 0.71 -1.11 0.00 0.00 175.55 174.77 1acy s TYR 91 N -0.08 1.56 0.03 2.71 2.02 0.21 -1.40 117.35 122.40 1acy s TYR 91 Ca -0.05 -0.41 0.09 0.00 -0.37 0.00 0.00 57.07 56.33 1acy s TYR 91 Cb -0.14 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1acy s TYR 91 CO 0.04 0.12 -0.25 0.00 -1.57 0.00 0.00 175.55 173.89 1acy n SER 93 N 1.93 -0.52 -4.32 0.00 3.41 -0.85 -0.81 113.62 112.46 1acy n SER 93 Ca -0.17 -2.99 -0.29 0.00 -0.26 0.00 0.00 58.87 55.17 1acy n SER 93 Cb 0.52 1.48 -0.14 0.00 -0.26 0.00 0.00 64.21 65.81 1acy n SER 93 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1acy s ARG 94 N -3.24 1.61 -0.01 4.33 3.52 -0.74 -1.12 118.95 123.31 1acy s ARG 94 Ca 0.35 -1.10 0.02 0.00 -0.13 0.00 0.00 55.73 54.88 1acy s ARG 94 Cb 0.02 -1.82 -0.00 0.00 -1.56 0.00 0.00 34.95 31.58 1acy s ARG 94 CO 0.25 0.46 -0.08 -2.00 -0.81 0.00 0.00 175.30 173.12 1acy s GLU 95 N -1.36 0.65 -0.39 5.12 2.12 -0.84 -2.00 118.70 122.01 1acy s GLU 95 Ca 0.11 -0.27 -0.16 0.00 0.36 0.00 0.00 54.97 55.01 1acy s GLU 95 Cb -0.10 -0.63 0.01 0.00 0.26 0.00 0.00 34.13 33.67 1acy s GLU 95 CO 0.03 0.15 0.38 1.21 -0.54 0.00 0.00 175.26 176.49 1acy s ASN 96 N -0.12 6.17 0.06 -1.70 3.04 -1.26 -1.79 114.94 119.35 1acy s ASN 96 Ca 0.02 -0.57 0.25 0.00 0.04 0.00 0.00 52.86 52.59 1acy s ASN 96 Cb -0.04 -2.20 0.42 0.00 -1.54 0.00 0.00 41.25 37.89 1acy s ASN 96 CO -0.00 -0.47 1.36 1.57 -3.04 0.00 0.00 177.10 176.52 1acy n HIS 97 N 5.44 0.30 -0.12 0.43 -0.00 0.40 -0.72 115.22 120.95 1acy n HIS 97 Ca -0.09 0.09 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 1acy n HIS 97 Cb 0.48 -0.48 -0.10 0.00 -0.00 0.00 0.00 29.99 29.88 1acy n HIS 97 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1acy n MET 98 N -1.84 0.57 0.00 1.57 0.00 -1.25 -4.64 117.12 111.53 1acy n MET 98 Ca 0.04 0.42 0.10 0.00 0.00 0.00 0.00 57.70 58.27 1acy n MET 98 Cb 0.40 -1.62 -0.04 0.00 0.00 0.00 0.00 33.22 31.95 1acy n MET 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1acy n TYR 99 N -4.35 0.00 0.00 1.12 4.01 -1.26 -4.84 117.16 111.84 1acy n TYR 99 Ca -0.42 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 1acy n TYR 99 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 1acy n TYR 99 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1acy n GLU 100 N -0.50 0.00 -0.84 -0.72 1.02 -1.07 -5.05 120.64 113.49 1acy n GLU 100 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1acy n GLU 100 Cb 0.41 -0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 1acy n GLU 100 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1acy n THR 100 N -0.86 0.00 -4.24 2.62 -1.04 0.10 -4.96 114.28 105.91 1acy n THR 100 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1acy n THR 100 Cb 0.00 -0.58 -0.11 0.00 -1.82 0.00 0.00 70.33 67.82 1acy n THR 100 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1acy s TYR 100 N -1.48 1.33 -0.78 -1.42 1.13 -1.26 -4.92 117.35 109.94 1acy s TYR 100 Ca 0.00 -0.61 -0.26 0.00 -1.41 0.00 0.00 57.07 54.79 1acy s TYR 100 Cb 0.00 -0.69 0.03 0.00 -1.10 0.00 0.00 41.96 40.20 1acy s TYR 100 CO 0.00 0.12 1.39 -0.06 -2.51 0.00 0.00 175.55 174.48 1acy s PHE 100 N -2.42 2.25 -0.19 -3.49 0.08 -1.26 -4.06 117.98 108.89 1acy s PHE 100 Ca 0.10 -0.10 0.20 0.00 0.12 0.00 0.00 56.93 57.25 1acy s PHE 100 Cb -0.03 -4.58 -0.04 0.00 -0.57 0.00 0.00 43.02 37.81 1acy s PHE 100 CO 0.02 -2.07 1.01 0.38 -0.10 0.00 0.00 175.22 174.46 1acy h ASP 101 N 10.49 0.00 -4.28 1.36 3.04 -1.81 -3.47 116.42 121.75 1acy h ASP 101 Ca -0.18 0.00 -0.51 0.00 -3.24 0.00 0.00 57.03 53.10 1acy h ASP 101 Cb 1.05 0.00 -0.22 0.00 -1.04 0.00 0.00 39.33 39.12 1acy h ASP 101 CO 1.30 0.28 -0.81 -0.69 -2.04 0.00 0.00 179.24 177.28 1acy s VAL 102 N -3.14 1.52 -0.06 4.15 1.01 -1.26 -4.98 120.40 117.64 1acy s VAL 102 Ca -0.01 -1.45 -0.04 0.00 0.00 0.00 0.00 61.98 60.48 1acy s VAL 102 Cb 0.09 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 35.10 1acy s VAL 102 CO 0.79 -0.10 0.15 0.26 0.00 0.00 0.00 175.10 176.20 1acy s TRP 103 N -1.17 -0.17 1.01 5.22 0.52 -1.26 -1.79 118.94 121.29 1acy s TRP 103 Ca 0.04 0.46 -0.15 0.00 0.02 0.00 0.00 56.10 56.47 1acy s TRP 103 Cb -0.10 -0.01 0.19 0.00 -1.15 0.00 0.00 33.47 32.41 1acy s TRP 103 CO 0.03 -0.13 1.16 0.20 0.02 0.00 0.00 176.95 178.24 1acy s GLY 104 N 0.66 1.61 0.30 0.98 0.00 0.01 -4.77 107.32 106.11 1acy s GLY 104 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1acy s GLY 104 CO -0.03 -0.05 1.93 0.06 0.00 0.00 0.00 173.10 175.00 1acy h GLN 105 N -1.86 1.01 0.00 2.90 -0.00 -1.92 -3.43 115.11 111.81 1acy h GLN 105 Ca -0.48 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.11 1acy h GLN 105 Cb 1.30 -0.23 0.00 0.00 -0.00 0.00 0.00 27.48 28.56 1acy h GLN 105 CO 0.50 0.67 0.00 0.41 -0.00 0.00 0.00 178.83 180.41 1acy n GLY 106 N -1.40 0.91 3.98 0.06 0.00 -1.26 -4.98 105.19 102.50 1acy n GLY 106 Ca 0.12 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 1acy n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1acy s THR 107 N -0.66 4.04 0.10 2.61 -4.23 -0.50 -4.84 115.64 112.17 1acy s THR 107 Ca 0.00 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1acy s THR 107 Cb 0.00 -3.42 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 1acy s THR 107 CO 0.00 -0.18 0.17 -0.89 -0.54 0.00 0.00 174.62 173.17 1acy s THR 108 N -2.24 4.94 -0.10 3.99 2.01 -1.26 -0.53 115.64 122.45 1acy s THR 108 Ca 0.46 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1acy s THR 108 Cb -0.10 -3.44 0.05 0.00 0.01 0.00 0.00 72.50 69.02 1acy s THR 108 CO 0.32 0.05 0.21 -0.69 -0.69 0.00 0.00 174.62 173.83 1acy s VAL 109 N -1.55 -0.12 -0.14 3.82 1.01 -0.61 -4.63 120.40 118.17 1acy s VAL 109 Ca 0.32 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.52 1acy s VAL 109 Cb -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1acy s VAL 109 CO 0.25 0.08 -0.22 -0.89 0.00 0.00 0.00 175.10 174.33 1acy s THR 110 N 1.53 2.09 -0.34 3.92 2.01 0.06 -1.59 115.64 123.32 1acy s THR 110 Ca -0.06 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.81 1acy s THR 110 Cb -0.11 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 1acy s THR 110 CO -0.08 0.55 0.38 -0.69 -0.69 0.00 0.00 174.62 174.09 1acy s VAL 111 N 0.82 5.15 -0.06 3.82 1.01 -1.26 -0.77 120.40 129.11 1acy s VAL 111 Ca -0.07 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 1acy s VAL 111 Cb -0.15 -3.84 0.11 0.00 0.00 0.00 0.00 36.38 32.49 1acy s VAL 111 CO -0.02 -0.11 0.90 -0.55 0.00 0.00 0.00 175.10 175.32 1acy s SER 112 N 1.73 -0.40 0.09 3.32 0.15 0.24 -4.78 113.70 114.05 1acy s SER 112 Ca 0.13 0.20 0.25 0.00 0.70 0.00 0.00 55.95 57.23 1acy s SER 112 Cb -0.16 0.37 0.49 0.00 -1.71 0.00 0.00 66.02 65.01 1acy s SER 112 CO 0.12 -0.53 1.43 -1.54 1.20 0.00 0.00 173.24 173.91 1acy n SER 113 N 0.18 0.60 -4.49 5.45 3.41 -1.26 -3.53 113.62 113.98 1acy n SER 113 Ca -0.10 0.09 -0.28 0.00 -0.26 0.00 0.00 58.87 58.32 1acy n SER 113 Cb 0.60 0.06 0.25 0.00 -0.26 0.00 0.00 64.21 64.86 1acy n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1acy s ALA 114 N -3.11 -0.50 -0.05 7.33 0.00 -1.26 -5.02 121.76 119.15 1acy s ALA 114 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 1acy s ALA 114 Cb 0.15 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1acy s ALA 114 CO 0.69 -3.88 0.21 0.21 0.00 0.00 0.00 175.76 172.99 1acy s LYS 115 N -4.45 3.52 -0.17 0.00 2.36 -1.26 -5.03 119.74 114.70 1acy s LYS 115 Ca 0.69 -0.12 -0.29 0.00 -2.55 0.00 0.00 55.97 53.70 1acy s LYS 115 Cb -0.25 -3.14 -0.00 0.00 -1.05 0.00 0.00 37.83 33.39 1acy s LYS 115 CO 0.65 0.71 1.11 0.95 1.55 0.00 0.00 175.35 180.32 1acy s THR 116 N -1.18 4.54 -0.05 3.43 -4.23 -1.26 -4.70 115.64 112.18 1acy s THR 116 Ca 0.22 1.85 0.06 0.00 -1.18 0.00 0.00 61.69 62.64 1acy s THR 116 Cb -0.13 -4.19 -0.01 0.00 1.34 0.00 0.00 72.50 69.51 1acy s THR 116 CO 0.12 -0.12 -0.23 -0.89 -0.54 0.00 0.00 174.62 172.96 1acy s THR 117 N 2.99 1.88 0.69 3.99 2.01 -0.50 -4.92 115.64 121.79 1acy s THR 117 Ca 0.49 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 1acy s THR 117 Cb -0.18 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.73 1acy s THR 117 CO 0.12 0.53 1.07 -2.16 -0.69 0.00 0.00 174.62 173.48 1acy s PRO 118 N -0.10 2.95 0.20 4.92 0.04 -1.26 -1.10 135.00 140.66 1acy s PRO 118 Ca -0.04 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 1acy s PRO 118 Cb -0.13 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1acy s PRO 118 CO 0.03 -1.02 0.56 -1.25 0.04 0.00 0.00 177.00 175.36 1acy s PRO 119 N -5.19 3.88 -0.20 0.56 0.04 -1.26 -4.33 135.00 128.49 1acy s PRO 119 Ca 0.58 0.37 -0.14 0.00 0.04 0.00 0.00 61.00 61.85 1acy s PRO 119 Cb -0.12 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 1acy s PRO 119 CO 0.54 0.37 0.30 -1.12 0.04 0.00 0.00 177.00 177.12 1acy s SER 120 N -2.12 6.34 -0.21 6.66 0.01 -0.88 -4.94 113.70 118.56 1acy s SER 120 Ca 0.44 0.40 -0.08 0.00 1.31 0.00 0.00 55.95 58.02 1acy s SER 120 Cb -0.12 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 1acy s SER 120 CO 0.20 0.02 0.08 -0.69 0.41 0.00 0.00 173.24 173.26 1acy s VAL 121 N 0.98 4.73 -0.08 3.43 1.01 -1.26 -1.51 120.40 127.69 1acy s VAL 121 Ca 0.15 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1acy s VAL 121 Cb -0.14 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 1acy s VAL 121 CO 0.05 0.41 -0.22 -0.31 0.00 0.00 0.00 175.10 175.03 1acy s TYR 122 N 0.84 2.30 0.39 5.22 2.02 0.84 -4.94 117.35 124.02 1acy s TYR 122 Ca 0.04 -0.86 -0.24 0.00 -0.37 0.00 0.00 57.07 55.64 1acy s TYR 122 Cb -0.13 -1.55 -0.09 0.00 -0.40 0.00 0.00 41.96 39.79 1acy s TYR 122 CO 0.02 -0.34 1.03 -1.25 -1.57 0.00 0.00 175.55 173.45 1acy s PRO 123 N 0.26 4.24 -0.27 -1.71 0.04 -1.26 -0.40 135.00 135.90 1acy s PRO 123 Ca -0.14 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.39 1acy s PRO 123 Cb -0.16 -2.57 0.07 0.00 0.04 0.00 0.00 34.50 31.88 1acy s PRO 123 CO 0.07 -0.07 -0.03 -0.51 0.04 0.00 0.00 177.00 176.50 1acy s LEU 124 N -2.57 3.18 -0.06 -3.56 1.43 0.22 -4.87 118.68 112.45 1acy s LEU 124 Ca 0.57 -1.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 1acy s LEU 124 Cb -0.21 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1acy s LEU 124 CO 0.26 -0.27 -0.14 0.00 0.23 0.00 0.00 176.35 176.43 1acy s ALA 125 N 1.25 2.64 0.11 4.21 0.00 -1.26 -1.95 121.76 126.75 1acy s ALA 125 Ca -0.02 -0.97 -0.32 0.00 0.00 0.00 0.00 51.96 50.65 1acy s ALA 125 Cb -0.19 -0.98 -0.12 0.00 0.00 0.00 0.00 23.12 21.83 1acy s ALA 125 CO -0.08 0.52 1.77 -2.30 0.00 0.00 0.00 175.76 175.67 1acy n PRO 126 N 2.45 2.52 -1.81 0.00 -0.02 -1.26 -4.79 135.00 132.09 1acy n PRO 126 Ca -0.17 0.92 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 1acy n PRO 126 Cb 0.52 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 1acy n PRO 126 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1acy s GLY 127 N 2.33 1.15 -0.89 -1.23 0.00 -1.26 -4.43 107.32 102.99 1acy s GLY 127 Ca 0.82 0.90 -0.06 0.00 0.00 0.00 0.00 44.72 46.38 1acy s GLY 127 CO 0.39 3.38 0.12 -1.14 0.00 0.00 0.00 173.10 175.86 1acy n SER 128 N 8.84 -0.32 -3.37 1.64 3.41 -1.26 -4.94 113.62 117.62 1acy n SER 128 Ca 0.22 -0.79 -0.17 0.00 -0.26 0.00 0.00 58.87 57.86 1acy n SER 128 Cb 0.43 -0.98 -0.08 0.00 -0.26 0.00 0.00 64.21 63.33 1acy n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1acy s ALA 129 N -3.92 -0.38 0.64 7.33 0.00 -1.26 -5.14 121.76 119.02 1acy s ALA 129 Ca 0.09 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1acy s ALA 129 Cb -0.05 -2.02 0.11 0.00 0.00 0.00 0.00 23.12 21.16 1acy s ALA 129 CO 0.61 -2.11 0.81 0.00 0.00 0.00 0.00 175.76 175.07 1acy n ALA 130 N 4.30 0.34 -1.88 0.00 0.00 -1.26 -4.52 120.51 117.49 1acy n ALA 130 Ca 0.10 -1.67 -0.20 0.00 0.00 0.00 0.00 53.44 51.68 1acy n ALA 130 Cb 0.45 0.31 -0.06 0.00 0.00 0.00 0.00 19.45 20.16 1acy n ALA 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1acy n GLN 133 N -2.45 -1.44 -2.72 0.00 3.00 -1.26 -4.92 117.38 107.59 1acy n GLN 133 Ca 0.14 1.10 -0.43 0.00 -0.01 0.00 0.00 57.00 57.79 1acy n GLN 133 Cb 0.50 -5.52 0.00 0.00 0.00 0.00 0.00 30.24 25.21 1acy n GLN 133 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1acy n THR 134 N -3.04 4.12 -4.58 5.09 -2.24 -1.26 -4.92 114.28 107.45 1acy n THR 134 Ca -0.21 -4.41 0.00 0.00 -2.27 0.00 0.00 64.05 57.16 1acy n THR 134 Cb 0.65 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.46 1acy n THR 134 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1acy n ASN 135 N 6.48 0.00 -0.23 3.42 2.85 -1.26 -3.61 115.26 122.90 1acy n ASN 135 Ca 0.42 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.92 1acy n ASN 135 Cb 0.43 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.48 1acy n ASN 135 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1acy n SER 136 N 1.20 1.50 -4.26 1.20 3.41 -1.26 -4.89 113.62 110.52 1acy n SER 136 Ca 0.00 -1.25 -0.25 0.00 -0.26 0.00 0.00 58.87 57.10 1acy n SER 136 Cb 0.00 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1acy n SER 136 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1acy s MET 137 N -0.49 1.36 -0.00 4.33 -1.94 -1.24 -0.12 119.30 121.20 1acy s MET 137 Ca 0.07 -0.97 0.05 0.00 -1.71 0.00 0.00 55.69 53.13 1acy s MET 137 Cb 0.05 -1.49 -0.01 0.00 2.01 0.00 0.00 34.83 35.38 1acy s MET 137 CO 0.07 0.38 -0.16 0.14 -0.01 0.00 0.00 175.02 175.44 1acy s VAL 138 N -0.84 1.25 -0.05 -6.03 -7.23 0.96 -4.69 120.40 103.77 1acy s VAL 138 Ca 0.07 -0.75 -0.02 0.00 -1.81 0.00 0.00 61.98 59.48 1acy s VAL 138 Cb -0.09 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 1acy s VAL 138 CO 0.02 0.30 0.05 -0.89 -0.31 0.00 0.00 175.10 174.27 1acy s THR 139 N -0.45 4.64 0.14 5.32 2.01 -1.26 -0.35 115.64 125.69 1acy s THR 139 Ca 0.06 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1acy s THR 139 Cb -0.06 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1acy s THR 139 CO -0.00 0.48 0.02 -0.76 -0.69 0.00 0.00 174.62 173.67 1acy s LEU 140 N -1.31 2.02 0.00 4.42 1.02 0.14 -4.63 118.68 120.34 1acy s LEU 140 Ca 0.18 -1.17 -0.06 0.00 0.02 0.00 0.00 54.13 53.10 1acy s LEU 140 Cb -0.12 0.11 0.03 0.00 0.02 0.00 0.00 46.19 46.23 1acy s LEU 140 CO 0.08 -0.63 0.42 0.61 0.02 0.00 0.00 176.35 176.85 1acy n GLY 141 N -0.14 1.75 2.99 -3.19 0.00 -0.82 -0.48 105.19 105.30 1acy n GLY 141 Ca -0.07 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.50 1acy n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1acy s LEU 143 N -0.14 3.64 -0.32 0.00 1.98 0.47 -1.76 118.68 122.54 1acy s LEU 143 Ca 0.02 -0.06 0.03 0.00 -2.89 0.00 0.00 54.13 51.24 1acy s LEU 143 Cb -0.03 -1.95 0.09 0.00 0.66 0.00 0.00 46.19 44.96 1acy s LEU 143 CO -0.00 0.07 0.03 -0.69 -1.89 0.00 0.00 176.35 173.86 1acy s VAL 144 N 1.02 2.16 -0.08 1.68 1.01 0.06 -0.11 120.40 126.14 1acy s VAL 144 Ca 0.04 -2.16 0.01 0.00 0.00 0.00 0.00 61.98 59.86 1acy s VAL 144 Cb -0.14 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1acy s VAL 144 CO 0.03 -0.51 -0.08 -0.75 0.00 0.00 0.00 175.10 173.79 1acy s LYS 145 N 0.98 2.90 -0.55 2.72 2.20 -0.57 0.08 119.74 127.50 1acy s LYS 145 Ca 0.08 -0.58 -0.03 0.00 -0.36 0.00 0.00 55.97 55.07 1acy s LYS 145 Cb -0.19 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 1acy s LYS 145 CO -0.09 0.56 0.44 0.41 -0.36 0.00 0.00 175.35 176.31 1acy n GLY 146 N 2.54 0.34 3.84 5.54 0.00 0.17 -2.07 105.19 115.55 1acy n GLY 146 Ca -0.18 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 1acy n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1acy s TYR 147 N -3.08 2.62 -0.26 1.61 1.13 -1.09 -4.60 117.35 113.69 1acy s TYR 147 Ca 0.22 -0.54 -0.25 0.00 -1.41 0.00 0.00 57.07 55.09 1acy s TYR 147 Cb -0.10 -2.10 0.10 0.00 -1.10 0.00 0.00 41.96 38.76 1acy s TYR 147 CO 0.27 -0.06 0.87 0.12 -2.51 0.00 0.00 175.55 174.24 1acy s PHE 148 N -2.52 -0.62 0.98 -3.49 5.36 -0.26 -1.11 117.98 116.31 1acy s PHE 148 Ca 0.46 1.49 -0.17 0.00 -0.96 0.00 0.00 56.93 57.75 1acy s PHE 148 Cb -0.01 0.33 0.23 0.00 -0.34 0.00 0.00 43.02 43.22 1acy s PHE 148 CO 0.26 -0.32 1.27 -0.35 -1.46 0.00 0.00 175.22 174.63 1acy n PRO 149 N 2.32 -1.46 -0.97 10.12 -0.05 -1.26 -1.42 135.00 142.29 1acy n PRO 149 Ca -0.13 -1.97 -0.30 0.00 -0.05 0.00 0.00 63.50 61.05 1acy n PRO 149 Cb 0.56 -1.36 0.16 0.00 -0.05 0.00 0.00 33.50 32.80 1acy n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 1acy s GLU 150 N -5.79 0.90 0.51 0.54 0.41 -1.26 -4.88 118.70 109.14 1acy s GLU 150 Ca 0.73 1.04 0.05 0.00 -0.41 0.00 0.00 54.97 56.38 1acy s GLU 150 Cb -0.02 -1.75 0.01 0.00 -1.78 0.00 0.00 34.13 30.59 1acy s GLU 150 CO 0.52 -2.55 0.29 -1.25 -0.49 0.00 0.00 175.26 171.78 1acy s PRO 151 N -4.77 2.25 0.01 0.39 0.04 -1.26 -4.94 135.00 126.72 1acy s PRO 151 Ca 0.65 -2.05 0.04 0.00 0.04 0.00 0.00 61.00 59.67 1acy s PRO 151 Cb -0.20 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1acy s PRO 151 CO 0.58 -0.47 -0.12 0.08 0.04 0.00 0.00 177.00 177.12 1acy s VAL 152 N -2.76 0.91 -0.06 -0.36 1.01 -1.26 -4.40 120.40 113.49 1acy s VAL 152 Ca 0.30 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1acy s VAL 152 Cb -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1acy s VAL 152 CO 0.18 0.10 0.12 -0.89 0.00 0.00 0.00 175.10 174.60 1acy s THR 153 N -0.57 5.14 -0.03 3.92 2.01 -0.51 -4.97 115.64 120.63 1acy s THR 153 Ca 0.02 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1acy s THR 153 Cb -0.06 -3.30 0.03 0.00 0.01 0.00 0.00 72.50 69.18 1acy s THR 153 CO 0.00 0.47 0.06 0.54 -0.69 0.00 0.00 174.62 175.00 1acy s VAL 154 N -1.13 -0.07 0.39 3.82 0.11 -1.26 -0.98 120.40 121.28 1acy s VAL 154 Ca 0.20 0.25 0.04 0.00 -2.93 0.00 0.00 61.98 59.54 1acy s VAL 154 Cb -0.12 -0.12 -0.06 0.00 -1.53 0.00 0.00 36.38 34.55 1acy s VAL 154 CO 0.10 0.10 0.04 0.42 -3.33 0.00 0.00 175.10 172.44 1acy s THR 156 N 1.28 1.37 -0.10 5.04 -4.23 0.54 -4.93 115.64 114.61 1acy s THR 156 Ca -0.07 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1acy s THR 156 Cb -0.13 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 1acy s THR 156 CO -0.04 0.00 -0.22 0.26 -0.54 0.00 0.00 174.62 174.09 1acy s TRP 157 N -3.03 2.60 -1.34 3.99 0.52 -1.26 -1.12 118.94 119.30 1acy s TRP 157 Ca 0.30 -0.90 -0.05 0.00 0.02 0.00 0.00 56.10 55.47 1acy s TRP 157 Cb 0.07 -1.72 -0.00 0.00 -1.15 0.00 0.00 33.47 30.67 1acy s TRP 157 CO 0.14 -0.33 0.53 0.09 0.02 0.00 0.00 176.95 177.40 1acy n ASN 162 N 3.41 -1.48 -4.15 2.95 4.13 0.19 -1.57 115.26 118.73 1acy n ASN 162 Ca -0.19 -0.99 -0.33 0.00 1.68 0.00 0.00 54.58 54.75 1acy n ASN 162 Cb 0.53 -3.22 -0.02 0.00 -1.54 0.00 0.00 39.78 35.52 1acy n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1acy n SER 163 N -2.92 -2.60 0.00 6.41 7.64 -1.26 -0.14 113.62 120.75 1acy n SER 163 Ca -0.26 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1acy n SER 163 Cb 0.66 -2.85 0.00 0.00 -1.01 0.00 0.00 64.21 61.02 1acy n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1acy n GLY 164 N -1.58 3.22 0.20 0.23 0.00 -0.61 -4.91 105.19 101.74 1acy n GLY 164 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1acy n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1acy h SER 165 N 0.00 0.05 -3.64 1.61 0.02 -0.44 -3.36 113.55 107.80 1acy h SER 165 Ca 0.00 -0.02 -0.65 0.00 -0.84 0.00 0.00 61.79 60.28 1acy h SER 165 Cb 0.00 -0.01 -0.16 0.00 0.14 0.00 0.00 62.40 62.36 1acy h SER 165 CO 0.00 0.38 -0.18 -0.76 -1.14 0.00 0.00 176.83 175.13 1acy s LEU 166 N -8.33 4.40 -0.03 5.07 1.43 -1.10 -4.87 118.68 115.25 1acy s LEU 166 Ca -0.03 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.02 1acy s LEU 166 Cb 0.15 -2.46 -0.13 0.00 0.03 0.00 0.00 46.19 43.78 1acy s LEU 166 CO 0.73 -0.40 0.15 -1.20 0.23 0.00 0.00 176.35 175.85 1acy n SER 167 N 5.55 3.02 -4.63 2.29 7.64 -1.26 -4.37 113.62 121.85 1acy n SER 167 Ca -0.07 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.46 1acy n SER 167 Cb 0.49 1.22 -0.10 0.00 -1.01 0.00 0.00 64.21 64.81 1acy n SER 167 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1acy s SER 168 N -3.25 5.12 0.00 6.43 0.01 -1.26 -4.37 113.70 116.38 1acy s SER 168 Ca -0.03 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1acy s SER 168 Cb 0.05 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.73 1acy s SER 168 CO 0.35 0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.93 1acy n GLY 169 N 2.56 0.15 3.74 3.44 0.00 -1.26 -4.69 105.19 109.13 1acy n GLY 169 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1acy n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1acy s VAL 171 N -2.05 4.24 0.01 1.61 0.11 -1.25 -2.29 120.40 120.78 1acy s VAL 171 Ca 0.00 2.08 0.02 0.00 -2.93 0.00 0.00 61.98 61.15 1acy s VAL 171 Cb 0.00 -4.33 -0.01 0.00 -1.53 0.00 0.00 36.38 30.51 1acy s VAL 171 CO 0.00 0.43 -0.06 -1.00 -3.33 0.00 0.00 175.10 171.14 1acy s HIS 172 N -0.72 0.53 -0.11 1.54 3.76 -0.22 -4.96 115.29 115.11 1acy s HIS 172 Ca 0.43 -0.21 -0.04 0.00 -0.15 0.00 0.00 55.06 55.10 1acy s HIS 172 Cb -0.25 -0.33 0.05 0.00 1.11 0.00 0.00 32.58 33.16 1acy s HIS 172 CO 0.31 -0.03 0.07 -0.08 -0.85 0.00 0.00 174.74 174.16 1acy s THR 173 N -0.49 -0.06 0.10 1.30 -1.32 -1.26 -0.14 115.64 113.77 1acy s THR 173 Ca -0.02 0.09 -0.19 0.00 -1.21 0.00 0.00 61.69 60.36 1acy s THR 173 Cb -0.04 -0.41 -0.07 0.00 -1.51 0.00 0.00 72.50 70.47 1acy s THR 173 CO -0.00 -0.06 0.59 -0.36 -2.21 0.00 0.00 174.62 172.58 1acy s PHE 174 N 2.14 3.77 0.31 9.09 0.40 -0.33 -5.01 117.98 128.34 1acy s PHE 174 Ca 0.03 1.26 -0.28 0.00 -0.60 0.00 0.00 56.93 57.35 1acy s PHE 174 Cb -0.14 -2.50 -0.13 0.00 0.51 0.00 0.00 43.02 40.76 1acy s PHE 174 CO -0.06 0.54 1.12 -2.30 0.70 0.00 0.00 175.22 175.22 1acy n PRO 175 N 1.48 1.66 -2.03 0.24 -0.01 -1.26 -4.17 135.00 130.91 1acy n PRO 175 Ca -0.09 0.58 -0.40 0.00 -0.01 0.00 0.00 63.50 63.59 1acy n PRO 175 Cb 0.51 -2.04 -0.00 0.00 -0.01 0.00 0.00 33.50 31.96 1acy n PRO 175 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1acy s ALA 176 N -1.05 3.28 0.08 3.55 0.00 -1.26 -4.82 121.76 121.55 1acy s ALA 176 Ca 0.58 1.26 0.07 0.00 0.00 0.00 0.00 51.96 53.87 1acy s ALA 176 Cb -0.65 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 18.94 1acy s ALA 176 CO 0.61 -0.85 -0.19 0.54 0.00 0.00 0.00 175.76 175.87 1acy s VAL 177 N -1.25 1.51 0.08 0.00 0.11 -0.92 -4.96 120.40 114.97 1acy s VAL 177 Ca 0.57 -1.37 -0.18 0.00 -2.93 0.00 0.00 61.98 58.07 1acy s VAL 177 Cb -0.39 -1.37 -0.07 0.00 -1.53 0.00 0.00 36.38 33.02 1acy s VAL 177 CO 0.50 -0.04 0.55 -0.76 -3.33 0.00 0.00 175.10 172.02 1acy s LEU 178 N -1.65 4.49 -0.48 2.54 1.43 -1.26 -1.04 118.68 122.71 1acy s LEU 178 Ca 0.04 1.20 0.08 0.00 -1.03 0.00 0.00 54.13 54.42 1acy s LEU 178 Cb -0.10 -2.92 0.32 0.00 0.03 0.00 0.00 46.19 43.52 1acy s LEU 178 CO 0.03 0.25 0.77 0.00 0.23 0.00 0.00 176.35 177.63 1acy n GLN 179 N 1.58 1.87 -3.12 1.70 1.13 0.13 -4.93 117.38 115.73 1acy n GLN 179 Ca -0.10 -4.01 -0.11 0.00 -1.94 0.00 0.00 57.00 50.84 1acy n GLN 179 Cb 0.51 -1.87 0.01 0.00 0.11 0.00 0.00 30.24 29.00 1acy n GLN 179 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1acy n SER 180 N 0.38 -6.81 -2.18 1.08 7.64 -1.26 -3.34 113.62 109.13 1acy n SER 180 Ca 0.27 0.50 -0.11 0.00 1.01 0.00 0.00 58.87 60.54 1acy n SER 180 Cb 0.52 -2.96 -0.02 0.00 -1.01 0.00 0.00 64.21 60.74 1acy n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1acy n ASP 183 N 0.56 -3.55 -3.90 6.43 8.00 -1.26 -4.97 116.55 117.86 1acy n ASP 183 Ca -0.01 0.23 -0.12 0.00 0.71 0.00 0.00 54.79 55.61 1acy n ASP 183 Cb 0.43 -3.10 -0.14 0.00 -0.02 0.00 0.00 41.12 38.30 1acy n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1acy s LEU 184 N -5.08 2.04 0.04 0.64 1.43 -1.21 -4.86 118.68 111.68 1acy s LEU 184 Ca 0.00 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 1acy s LEU 184 Cb 0.00 -0.02 -0.05 0.00 0.03 0.00 0.00 46.19 46.15 1acy s LEU 184 CO 0.00 -0.04 0.34 -0.31 0.23 0.00 0.00 176.35 176.57 1acy s TYR 185 N -0.26 3.59 0.03 0.29 2.02 -0.27 0.18 117.35 122.93 1acy s TYR 185 Ca -0.02 0.70 0.07 0.00 -0.37 0.00 0.00 57.07 57.45 1acy s TYR 185 Cb -0.02 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 1acy s TYR 185 CO -0.00 0.57 -0.21 0.99 -1.57 0.00 0.00 175.55 175.33 1acy s THR 186 N -1.34 1.65 0.12 -0.71 2.01 -0.21 0.46 115.64 117.63 1acy s THR 186 Ca 0.30 -1.15 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 1acy s THR 186 Cb -0.14 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 1acy s THR 186 CO 0.17 0.24 0.11 -0.22 -0.69 0.00 0.00 174.62 174.23 1acy s LEU 187 N -1.07 1.66 0.09 4.42 0.20 0.11 -2.16 118.68 121.94 1acy s LEU 187 Ca 0.07 -1.04 -0.15 0.00 0.69 0.00 0.00 54.13 53.70 1acy s LEU 187 Cb -0.09 0.57 0.03 0.00 -0.43 0.00 0.00 46.19 46.27 1acy s LEU 187 CO 0.01 -0.75 0.36 -0.94 -0.29 0.00 0.00 176.35 174.74 1acy s SER 188 N -2.99 -0.17 0.00 3.68 1.04 -1.26 -0.76 113.70 113.24 1acy s SER 188 Ca 0.18 -0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.23 1acy s SER 188 Cb 0.06 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1acy s SER 188 CO -0.02 -0.76 0.19 -0.55 0.98 0.00 0.00 173.24 173.09 1acy s SER 189 N -2.52 -0.03 0.11 7.02 0.15 -0.72 -1.19 113.70 116.52 1acy s SER 189 Ca 0.00 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.57 1acy s SER 189 Cb 0.01 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1acy s SER 189 CO -0.08 -0.41 -0.15 -0.94 1.20 0.00 0.00 173.24 172.86 1acy s SER 190 N -1.44 2.01 -0.03 5.45 1.04 0.80 -0.97 113.70 120.56 1acy s SER 190 Ca -0.14 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.54 1acy s SER 190 Cb -0.06 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1acy s SER 190 CO 0.02 -0.11 -0.04 -0.69 0.98 0.00 0.00 173.24 173.40 1acy s VAL 191 N -1.91 0.41 -0.14 5.02 1.01 0.37 -1.05 120.40 124.11 1acy s VAL 191 Ca 0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 1acy s VAL 191 Cb -0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1acy s VAL 191 CO 0.03 0.17 0.15 -0.89 0.00 0.00 0.00 175.10 174.56 1acy s THR 192 N 0.62 5.47 -0.00 3.92 2.01 -0.97 -0.68 115.64 126.00 1acy s THR 192 Ca -0.07 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 1acy s THR 192 Cb -0.11 -3.43 -0.00 0.00 0.01 0.00 0.00 72.50 68.97 1acy s THR 192 CO -0.00 0.57 0.08 0.54 -0.69 0.00 0.00 174.62 175.11 1acy s VAL 193 N -0.62 0.07 0.43 3.82 0.11 0.53 -4.60 120.40 120.14 1acy s VAL 193 Ca 0.13 -0.58 -0.26 0.00 -2.93 0.00 0.00 61.98 58.35 1acy s VAL 193 Cb -0.12 -0.31 -0.09 0.00 -1.53 0.00 0.00 36.38 34.33 1acy s VAL 193 CO 0.03 -0.32 1.44 -2.16 -3.33 0.00 0.00 175.10 170.76 1acy s PRO 194 N -1.03 3.82 -0.59 1.54 0.04 -1.26 -0.03 135.00 137.50 1acy s PRO 194 Ca -0.11 2.46 -0.07 0.00 0.04 0.00 0.00 61.00 63.32 1acy s PRO 194 Cb -0.07 -2.76 -0.18 0.00 0.04 0.00 0.00 34.50 31.54 1acy s PRO 194 CO 0.00 -0.72 3.06 -1.13 0.04 0.00 0.00 177.00 178.26 1acy n SER 195 N 0.02 5.93 0.00 6.66 3.41 0.84 -3.55 113.62 126.92 1acy n SER 195 Ca 0.04 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1acy n SER 195 Cb 0.41 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1acy n SER 195 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1acy n SER 196 N 3.03 0.00 0.31 4.04 3.41 -1.26 -4.77 113.62 118.39 1acy n SER 196 Ca 0.51 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 59.32 1acy n SER 196 Cb 0.57 0.08 1.01 0.00 -0.26 0.00 0.00 64.21 65.60 1acy n SER 196 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1acy h PRO 198 N 0.00 0.00 -5.30 4.33 0.10 -1.90 -3.31 132.00 125.92 1acy h PRO 198 Ca 0.00 0.00 -0.67 0.00 0.10 0.00 0.00 66.00 65.43 1acy h PRO 198 Cb 0.00 0.00 -0.33 0.00 0.10 0.00 0.00 31.00 30.77 1acy h PRO 198 CO 0.00 0.01 -0.88 0.50 0.10 0.00 0.00 178.00 177.73 1acy s ARG 199 N -4.00 3.00 0.33 1.05 3.00 -1.25 0.28 118.95 121.36 1acy s ARG 199 Ca -0.03 -0.86 0.17 0.00 -1.00 0.00 0.00 55.73 54.02 1acy s ARG 199 Cb 0.12 -2.27 0.22 0.00 0.00 0.00 0.00 34.95 33.01 1acy s ARG 199 CO 0.47 0.16 1.52 -1.35 0.00 0.00 0.00 175.30 176.10 1acy h PRO 200 N 6.75 0.00 -0.98 5.12 0.11 -1.86 -3.43 132.00 137.71 1acy h PRO 200 Ca -0.20 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.14 1acy h PRO 200 Cb 1.24 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.16 1acy h PRO 200 CO 0.47 0.38 -0.12 0.77 -0.21 0.00 0.00 178.00 179.29 1acy h SER 202 N 0.00 -0.71 -2.05 -2.05 0.02 -1.65 -3.40 113.55 103.72 1acy h SER 202 Ca -0.00 0.29 -0.49 0.00 -0.84 0.00 0.00 61.79 60.74 1acy h SER 202 Cb 1.24 0.55 -0.04 0.00 0.14 0.00 0.00 62.40 64.29 1acy h SER 202 CO 0.05 -0.34 -0.48 -1.61 -1.14 0.00 0.00 176.83 173.32 1acy s GLU 203 N -6.14 2.92 0.06 3.45 2.02 0.82 -5.01 118.70 116.82 1acy s GLU 203 Ca -0.14 -1.10 -0.28 0.00 0.02 0.00 0.00 54.97 53.47 1acy s GLU 203 Cb 0.28 -2.59 -0.05 0.00 0.10 0.00 0.00 34.13 31.87 1acy s GLU 203 CO 0.78 0.28 0.88 0.99 0.02 0.00 0.00 175.26 178.21 1acy s THR 204 N -2.18 4.68 -0.07 3.63 2.01 -1.25 -3.97 115.64 118.50 1acy s THR 204 Ca 0.37 1.88 0.03 0.00 0.31 0.00 0.00 61.69 64.28 1acy s THR 204 Cb -0.07 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.21 1acy s THR 204 CO 0.26 0.30 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.65 1acy s VAL 205 N 0.22 1.36 -0.01 3.82 1.01 -1.26 -4.99 120.40 120.55 1acy s VAL 205 Ca 0.44 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1acy s VAL 205 Cb -0.22 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1acy s VAL 205 CO 0.26 0.40 -0.00 -0.89 0.00 0.00 0.00 175.10 174.87 1acy s THR 206 N 0.48 0.08 0.11 3.92 2.01 -1.26 -1.23 115.64 119.74 1acy s THR 206 Ca -0.13 0.01 0.02 0.00 0.31 0.00 0.00 61.69 61.89 1acy s THR 206 Cb -0.15 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 1acy s THR 206 CO 0.04 0.05 0.24 0.00 -0.69 0.00 0.00 174.62 174.26 1acy s ASN 209 N -2.91 2.49 -0.02 0.00 -0.87 -0.28 -1.30 114.94 112.05 1acy s ASN 209 Ca 0.34 -0.46 0.06 0.00 -1.57 0.00 0.00 52.86 51.23 1acy s ASN 209 Cb -0.12 -0.92 -0.01 0.00 -0.02 0.00 0.00 41.25 40.18 1acy s ASN 209 CO 0.28 -0.13 -0.20 0.54 -2.57 0.00 0.00 177.10 175.02 1acy s VAL 210 N 1.65 1.56 -0.02 1.60 0.11 -0.30 -0.34 120.40 124.65 1acy s VAL 210 Ca 0.03 -0.83 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 1acy s VAL 210 Cb -0.14 -1.30 0.01 0.00 -1.53 0.00 0.00 36.38 33.42 1acy s VAL 210 CO -0.08 0.44 -0.05 0.00 -3.33 0.00 0.00 175.10 172.07 1acy s ALA 211 N -0.39 0.61 -0.52 1.54 0.00 -0.15 -1.13 121.76 121.72 1acy s ALA 211 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.91 1acy s ALA 211 Cb -0.08 -0.28 0.18 0.00 0.00 0.00 0.00 23.12 22.93 1acy s ALA 211 CO -0.00 0.06 0.41 1.58 0.00 0.00 0.00 175.76 177.82 1acy n HIS 212 N 3.49 0.68 -0.23 0.00 -0.00 0.22 -1.42 115.22 117.96 1acy n HIS 212 Ca -0.20 -3.69 0.18 0.00 0.46 0.00 0.00 57.72 54.47 1acy n HIS 212 Cb 0.54 -0.09 0.49 0.00 -0.12 0.00 0.00 29.99 30.81 1acy n HIS 212 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1acy h PRO 213 N 5.44 0.43 0.00 1.57 0.11 -1.77 -0.47 132.00 137.30 1acy h PRO 213 Ca 0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1acy h PRO 213 Cb 0.85 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1acy h PRO 213 CO 0.51 0.28 0.08 0.00 -0.21 0.00 0.00 178.00 178.66 1acy n ALA 214 N -2.51 0.88 -0.74 -0.75 0.00 -1.26 -0.86 120.51 115.27 1acy n ALA 214 Ca 0.18 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1acy n ALA 214 Cb 0.65 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1acy n ALA 214 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1acy n SER 215 N -1.74 0.39 -3.56 0.00 3.41 -0.22 -5.02 113.62 106.88 1acy n SER 215 Ca -0.01 -1.14 -0.26 0.00 -0.26 0.00 0.00 58.87 57.21 1acy n SER 215 Cb 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1acy n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1acy n SER 216 N -0.07 -4.90 -4.84 4.04 7.64 -0.04 -4.93 113.62 110.53 1acy n SER 216 Ca 0.00 -0.56 -0.38 0.00 1.01 0.00 0.00 58.87 58.95 1acy n SER 216 Cb 0.32 -3.94 -0.06 0.00 -1.01 0.00 0.00 64.21 59.51 1acy n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1acy s THR 217 N -3.17 5.21 -0.12 0.44 2.01 -1.24 -4.98 115.64 113.79 1acy s THR 217 Ca 0.52 0.61 -0.05 0.00 0.31 0.00 0.00 61.69 63.08 1acy s THR 217 Cb -0.26 -3.60 0.06 0.00 0.01 0.00 0.00 72.50 68.71 1acy s THR 217 CO 0.64 0.57 0.25 -0.75 -0.69 0.00 0.00 174.62 174.63 1acy s LYS 218 N -0.89 0.13 -0.01 4.92 2.36 -1.26 -0.61 119.74 124.39 1acy s LYS 218 Ca 0.20 0.70 0.01 0.00 -2.55 0.00 0.00 55.97 54.34 1acy s LYS 218 Cb -0.15 -0.08 -0.00 0.00 -1.05 0.00 0.00 37.83 36.55 1acy s LYS 218 CO 0.09 -0.28 -0.04 0.54 1.55 0.00 0.00 175.35 177.21 1acy s VAL 219 N 2.29 0.35 0.03 4.02 0.11 -0.29 -5.00 120.40 121.91 1acy s VAL 219 Ca 0.01 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 1acy s VAL 219 Cb -0.12 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1acy s VAL 219 CO -0.08 0.11 0.06 -1.81 -3.33 0.00 0.00 175.10 170.05 1acy s ASP 220 N -0.02 5.50 -0.14 3.54 1.01 -1.26 -1.14 116.67 124.15 1acy s ASP 220 Ca 0.01 0.05 -0.05 0.00 0.71 0.00 0.00 52.55 53.27 1acy s ASP 220 Cb -0.03 -1.51 0.06 0.00 1.01 0.00 0.00 42.92 42.46 1acy s ASP 220 CO -0.00 0.24 0.29 -0.75 0.21 0.00 0.00 175.17 175.15 1acy s LYS 221 N -1.95 0.19 -0.06 8.23 2.47 -0.42 -4.98 119.74 123.21 1acy s LYS 221 Ca 0.25 0.76 -0.12 0.00 -1.56 0.00 0.00 55.97 55.29 1acy s LYS 221 Cb -0.12 0.00 -0.05 0.00 -1.46 0.00 0.00 37.83 36.20 1acy s LYS 221 CO 0.16 -0.25 0.31 0.21 0.16 0.00 0.00 175.35 175.93 1acy s LYS 222 N 2.21 3.81 -0.48 4.03 2.20 -1.26 -0.50 119.74 129.75 1acy s LYS 222 Ca -0.01 0.20 -0.19 0.00 -0.36 0.00 0.00 55.97 55.60 1acy s LYS 222 Cb -0.12 -3.24 0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1acy s LYS 222 CO -0.09 0.65 0.61 0.42 -0.36 0.00 0.00 175.35 176.58 1acy s ILE 223 N -0.84 4.88 0.28 5.43 -1.09 -0.37 -4.94 121.20 124.55 1acy s ILE 223 Ca 0.20 -0.28 -0.04 0.00 -2.23 0.00 0.00 60.65 58.30 1acy s ILE 223 Cb -0.15 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.44 1acy s ILE 223 CO 0.09 -0.70 0.53 0.68 -1.23 0.00 0.00 174.94 174.31 1acy s VAL 224 N 2.65 5.05 1.00 2.92 -7.23 -1.26 -4.65 120.40 118.88 1acy s VAL 224 Ca 0.17 -0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.22 1acy s VAL 224 Cb -0.17 -3.73 0.16 0.00 0.56 0.00 0.00 36.38 33.20 1acy s VAL 224 CO 0.14 -0.30 0.92 -0.81 -0.31 0.00 0.00 175.10 174.74 1acy n PRO 225 N -0.91 -1.01 0.00 4.82 -0.05 -1.26 -4.77 135.00 131.82 1acy n PRO 225 Ca -0.02 -0.24 0.14 0.00 -0.05 0.00 0.00 63.50 63.33 1acy n PRO 225 Cb 0.54 -2.20 0.84 0.00 -0.05 0.00 0.00 33.50 32.63 1acy n PRO 225 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99