#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fsf s PRO 6 N 0.00 -1.41 -0.09 -0.14 0.04 -1.26 -5.00 135.00 127.14 3fsf s PRO 6 Ca 0.00 0.37 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 3fsf s PRO 6 Cb 0.00 -1.54 -0.05 0.00 0.04 0.00 0.00 34.50 32.96 3fsf s PRO 6 CO 0.00 -3.93 0.28 0.99 0.04 0.00 0.00 177.00 174.39 3fsf s THR 7 N -2.61 5.27 0.12 1.26 2.01 -1.26 -5.01 115.64 115.42 3fsf s THR 7 Ca 0.68 0.54 0.05 0.00 0.31 0.00 0.00 61.69 63.28 3fsf s THR 7 Cb -0.17 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3fsf s THR 7 CO 0.60 0.53 0.01 -0.36 -0.69 0.00 0.00 174.62 174.71 3fsf s PHE 8 N -0.53 2.97 0.05 4.92 0.40 -1.26 -1.08 117.98 123.43 3fsf s PHE 8 Ca 0.18 -0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.50 3fsf s PHE 8 Cb -0.14 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.87 3fsf s PHE 8 CO 0.07 0.49 -0.11 1.52 0.70 0.00 0.00 175.22 177.89 3fsf s TYR 9 N -1.46 0.97 0.14 0.36 -0.85 -0.37 -4.90 117.35 111.24 3fsf s TYR 9 Ca 0.27 -0.41 -0.06 0.00 -0.52 0.00 0.00 57.07 56.35 3fsf s TYR 9 Cb -0.11 -0.57 -0.06 0.00 0.38 0.00 0.00 41.96 41.61 3fsf s TYR 9 CO 0.19 -0.00 0.40 1.03 -1.52 0.00 0.00 175.55 175.64 3fsf s ARG 10 N -1.36 3.66 -0.28 -3.49 0.52 -1.26 -2.26 118.95 114.47 3fsf s ARG 10 Ca -0.03 -0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 54.99 3fsf s ARG 10 Cb -0.09 -2.84 0.09 0.00 0.52 0.00 0.00 34.95 32.63 3fsf s ARG 10 CO 0.01 0.46 0.75 -1.14 0.02 0.00 0.00 175.30 175.41 3fsf s GLN 11 N -2.58 0.65 -0.14 3.54 0.74 0.16 -4.98 119.66 117.05 3fsf s GLN 11 Ca 0.41 1.09 -0.20 0.00 0.05 0.00 0.00 55.36 56.71 3fsf s GLN 11 Cb -0.12 0.15 -0.03 0.00 1.10 0.00 0.00 33.01 34.10 3fsf s GLN 11 CO 0.23 -0.13 0.58 -2.00 -0.55 0.00 0.00 175.29 173.42 3fsf s GLU 12 N 1.46 4.30 -0.54 1.67 2.12 -1.26 0.28 118.70 126.74 3fsf s GLU 12 Ca -0.09 0.59 0.04 0.00 0.36 0.00 0.00 54.97 55.86 3fsf s GLU 12 Cb -0.05 -3.50 0.14 0.00 0.26 0.00 0.00 34.13 30.99 3fsf s GLU 12 CO -0.17 -0.03 0.31 -0.51 -0.54 0.00 0.00 175.26 174.32 3fsf s LEU 13 N 1.20 3.84 -0.52 2.70 1.43 0.35 -4.83 118.68 122.86 3fsf s LEU 13 Ca 0.29 -3.11 -0.02 0.00 -1.03 0.00 0.00 54.13 50.26 3fsf s LEU 13 Cb -0.16 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3fsf s LEU 13 CO 0.12 -0.20 0.45 0.59 0.23 0.00 0.00 176.35 177.53 3fsf n ASN 14 N 2.95 -3.84 -0.57 2.29 5.03 -1.26 -3.32 115.26 116.54 3fsf n ASN 14 Ca 0.11 -0.33 -0.07 0.00 0.87 0.00 0.00 54.58 55.15 3fsf n ASN 14 Cb 0.34 -2.76 -0.03 0.00 -1.02 0.00 0.00 39.78 36.31 3fsf n ASN 14 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3fsf n LYS 15 N -2.36 -0.97 -4.60 3.52 4.76 -1.26 -4.97 118.16 112.28 3fsf n LYS 15 Ca -0.05 0.68 -0.28 0.00 -2.87 0.00 0.00 58.31 55.79 3fsf n LYS 15 Cb 0.56 -4.64 -0.17 0.00 -1.84 0.00 0.00 35.03 28.95 3fsf n LYS 15 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3fsf s THR 16 N -2.05 1.47 -0.21 -0.18 2.01 -1.21 -5.12 115.64 110.36 3fsf s THR 16 Ca 0.00 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.18 3fsf s THR 16 Cb 0.00 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 3fsf s THR 16 CO 0.00 0.43 0.50 -0.63 -0.69 0.00 0.00 174.62 174.23 3fsf s ILE 17 N 0.81 5.12 -0.12 1.82 -1.09 -1.26 0.13 121.20 126.61 3fsf s ILE 17 Ca -0.11 0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 59.20 3fsf s ILE 17 Cb -0.16 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 3fsf s ILE 17 CO 0.01 0.18 -0.06 0.26 -1.23 0.00 0.00 174.94 174.11 3fsf s TRP 18 N 1.64 2.97 -0.23 3.97 0.52 0.14 -4.95 118.94 123.01 3fsf s TRP 18 Ca 0.23 -0.23 0.01 0.00 0.02 0.00 0.00 56.10 56.13 3fsf s TRP 18 Cb -0.15 -1.85 0.06 0.00 -1.15 0.00 0.00 33.47 30.37 3fsf s TRP 18 CO 0.09 0.08 -0.05 -2.00 0.02 0.00 0.00 176.95 175.08 3fsf s GLU 19 N -0.07 1.62 0.10 4.98 2.12 -1.26 -0.67 118.70 125.52 3fsf s GLU 19 Ca 0.01 -0.95 0.02 0.00 0.36 0.00 0.00 54.97 54.41 3fsf s GLU 19 Cb -0.13 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 3fsf s GLU 19 CO 0.03 -0.58 -0.08 0.14 -0.54 0.00 0.00 175.26 174.23 3fsf s VAL 20 N 1.41 0.77 0.51 3.70 -7.23 -0.96 -4.68 120.40 113.93 3fsf s VAL 20 Ca -0.05 -1.80 -0.23 0.00 -1.81 0.00 0.00 61.98 58.08 3fsf s VAL 20 Cb -0.18 -1.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.17 3fsf s VAL 20 CO -0.06 -0.75 1.39 -2.84 -0.31 0.00 0.00 175.10 172.53 3fsf s PRO 21 N -3.39 3.34 0.54 4.82 0.02 -1.26 -1.23 135.00 137.84 3fsf s PRO 21 Ca 0.09 2.32 0.32 0.00 0.02 0.00 0.00 61.00 63.74 3fsf s PRO 21 Cb 0.02 -2.41 1.49 0.00 0.02 0.00 0.00 34.50 33.62 3fsf s PRO 21 CO -0.03 -1.06 1.89 0.93 -0.33 0.00 0.00 177.00 178.40 3fsf h GLU 22 N 1.79 0.00 -0.32 5.54 5.08 -1.46 -1.69 114.58 123.52 3fsf h GLU 22 Ca -0.51 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 57.94 3fsf h GLU 22 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3fsf h GLU 22 CO 0.59 0.00 0.29 0.07 -1.00 0.00 0.00 179.01 178.96 3fsf h ARG 23 N 0.00 0.00 -5.24 2.33 0.11 -1.90 -3.38 114.38 106.30 3fsf h ARG 23 Ca 0.43 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.89 3fsf h ARG 23 Cb 1.74 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.68 3fsf h ARG 23 CO -0.00 0.00 -0.15 0.71 0.10 0.00 0.00 179.97 180.62 3fsf s TYR 24 N -4.78 3.26 0.26 4.08 1.51 -0.64 -0.93 117.35 120.11 3fsf s TYR 24 Ca -0.05 0.50 0.06 0.00 -1.01 0.00 0.00 57.07 56.58 3fsf s TYR 24 Cb 0.17 -2.63 -0.06 0.00 -0.11 0.00 0.00 41.96 39.34 3fsf s TYR 24 CO 0.62 -0.24 -0.06 -0.65 -1.11 0.00 0.00 175.55 174.11 3fsf s GLN 25 N 2.14 1.49 -1.19 -0.62 -1.52 -0.54 -4.88 119.66 114.52 3fsf s GLN 25 Ca 0.17 -1.74 -0.08 0.00 -1.95 0.00 0.00 55.36 51.76 3fsf s GLN 25 Cb -0.16 -1.05 -0.02 0.00 -0.22 0.00 0.00 33.01 31.57 3fsf s GLN 25 CO 0.10 0.03 0.79 0.09 -0.25 0.00 0.00 175.29 176.04 3fsf n ASN 26 N -0.53 -3.75 -4.72 5.90 3.02 -1.26 -1.31 115.26 112.61 3fsf n ASN 26 Ca -0.06 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.22 3fsf n ASN 26 Cb 0.63 -4.14 -0.03 0.00 -0.61 0.00 0.00 39.78 35.63 3fsf n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fsf s LEU 27 N -6.30 4.40 -0.02 3.41 1.02 -1.26 -4.32 118.68 115.61 3fsf s LEU 27 Ca 0.26 1.84 0.00 0.00 0.02 0.00 0.00 54.13 56.25 3fsf s LEU 27 Cb -0.07 -3.58 0.03 0.00 0.02 0.00 0.00 46.19 42.59 3fsf s LEU 27 CO 0.81 -0.29 0.02 -0.94 0.02 0.00 0.00 176.35 175.97 3fsf s SER 28 N 0.75 0.11 0.30 2.29 1.04 -0.70 -4.96 113.70 112.54 3fsf s SER 28 Ca 0.53 0.03 -0.29 0.00 0.48 0.00 0.00 55.95 56.70 3fsf s SER 28 Cb -0.25 -0.08 -0.13 0.00 0.10 0.00 0.00 66.02 65.66 3fsf s SER 28 CO 0.29 -0.12 1.26 -2.65 0.98 0.00 0.00 173.24 173.01 3fsf n PRO 29 N 4.12 1.93 0.00 4.02 -0.02 -1.26 -0.98 135.00 142.81 3fsf n PRO 29 Ca -0.27 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3fsf n PRO 29 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3fsf n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3fsf n VAL 30 N 0.75 0.14 0.00 -1.45 0.24 0.23 -4.81 118.33 113.43 3fsf n VAL 30 Ca 0.08 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3fsf n VAL 30 Cb 0.34 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 3fsf n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fsf n GLY 31 N -0.07 -0.02 3.38 7.63 0.00 -1.26 -4.95 105.19 109.91 3fsf n GLY 31 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3fsf n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fsf s SER 37 N 0.00 0.41 0.02 1.61 1.04 -0.15 -4.72 113.70 111.92 3fsf s SER 37 Ca 0.00 -1.32 0.06 0.00 0.48 0.00 0.00 55.95 55.17 3fsf s SER 37 Cb 0.00 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 3fsf s SER 37 CO 0.00 -1.05 -0.18 -0.69 0.98 0.00 0.00 173.24 172.30 3fsf s VAL 38 N -3.80 1.41 0.04 5.02 1.01 -1.26 -0.57 120.40 122.24 3fsf s VAL 38 Ca 0.33 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.37 3fsf s VAL 38 Cb 0.03 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3fsf s VAL 38 CO 0.15 0.21 -0.14 0.00 0.00 0.00 0.00 175.10 175.32 3fsf s ALA 40 N -0.87 3.51 0.33 0.00 0.00 -0.15 0.80 121.76 125.38 3fsf s ALA 40 Ca 0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 3fsf s ALA 40 Cb -0.08 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.60 3fsf s ALA 40 CO 0.01 0.28 0.72 0.00 0.00 0.00 0.00 175.76 176.77 3fsf s ALA 41 N -2.06 -0.77 -0.17 0.00 0.00 0.40 -1.71 121.76 117.45 3fsf s ALA 41 Ca 0.48 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3fsf s ALA 41 Cb -0.11 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.83 3fsf s ALA 41 CO 0.26 -0.98 -0.16 0.12 0.00 0.00 0.00 175.76 175.00 3fsf s PHE 42 N -3.09 2.79 -0.68 0.00 5.36 -0.43 -0.53 117.98 121.40 3fsf s PHE 42 Ca 0.15 -1.28 -0.21 0.00 -0.96 0.00 0.00 56.93 54.63 3fsf s PHE 42 Cb -0.05 -1.92 0.09 0.00 -0.34 0.00 0.00 43.02 40.81 3fsf s PHE 42 CO 0.10 -0.62 0.90 0.34 -1.46 0.00 0.00 175.22 174.48 3fsf s ASP 43 N 1.08 6.25 0.33 6.13 2.15 -0.33 -1.47 116.67 130.80 3fsf s ASP 43 Ca -0.00 -1.31 0.24 0.00 0.43 0.00 0.00 52.55 51.91 3fsf s ASP 43 Cb -0.14 -2.38 1.19 0.00 -0.30 0.00 0.00 42.92 41.29 3fsf s ASP 43 CO -0.05 -1.27 1.73 0.71 -0.17 0.00 0.00 175.17 176.11 3fsf h THR 44 N 5.92 0.00 0.00 1.71 1.35 -1.33 0.30 112.91 120.86 3fsf h THR 44 Ca -0.22 -0.09 -0.19 0.00 -0.55 0.00 0.00 66.41 65.36 3fsf h THR 44 Cb 1.07 0.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.16 3fsf h THR 44 CO 1.14 0.00 -0.97 0.50 -0.25 0.00 0.00 175.52 175.94 3fsf h LYS 45 N 0.00 0.00 0.00 4.72 3.64 -1.91 -3.37 116.57 119.65 3fsf h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fsf h LYS 45 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3fsf h LYS 45 CO 0.00 0.78 -0.86 0.25 -2.27 0.00 0.00 179.45 177.35 3fsf n THR 46 N -3.26 0.00 -1.04 1.00 -2.24 -0.85 -5.00 114.28 102.90 3fsf n THR 46 Ca -0.02 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.51 3fsf n THR 46 Cb 0.89 0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 3fsf n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fsf n GLY 47 N 1.72 0.49 3.77 3.38 0.00 1.00 -5.03 105.19 110.53 3fsf n GLY 47 Ca -0.00 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 3fsf n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fsf s LEU 48 N -0.31 3.96 0.03 0.99 1.43 -1.17 -4.94 118.68 118.66 3fsf s LEU 48 Ca 0.00 0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 3fsf s LEU 48 Cb 0.00 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3fsf s LEU 48 CO 0.00 0.38 0.96 -0.13 0.23 0.00 0.00 176.35 177.80 3fsf s ARG 49 N -0.87 4.59 0.23 1.70 0.52 -1.26 -1.18 118.95 122.67 3fsf s ARG 49 Ca 0.13 1.41 0.03 0.00 -0.52 0.00 0.00 55.73 56.78 3fsf s ARG 49 Cb -0.12 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.86 3fsf s ARG 49 CO 0.03 0.02 0.01 0.14 0.02 0.00 0.00 175.30 175.52 3fsf s VAL 50 N 0.74 0.93 -0.15 3.52 -7.23 0.31 -2.07 120.40 116.45 3fsf s VAL 50 Ca 0.50 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3fsf s VAL 50 Cb -0.21 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 3fsf s VAL 50 CO 0.28 -0.29 -0.07 0.00 -0.31 0.00 0.00 175.10 174.70 3fsf s ALA 51 N -3.49 2.84 -0.21 1.32 0.00 -0.10 -0.45 121.76 121.66 3fsf s ALA 51 Ca 0.29 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 3fsf s ALA 51 Cb 0.06 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.77 3fsf s ALA 51 CO 0.09 0.20 -0.12 0.08 0.00 0.00 0.00 175.76 176.01 3fsf s VAL 52 N 0.41 2.62 -0.22 0.00 1.01 0.24 -1.85 120.40 122.61 3fsf s VAL 52 Ca -0.06 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 3fsf s VAL 52 Cb -0.15 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3fsf s VAL 52 CO 0.04 0.38 0.06 -0.75 0.00 0.00 0.00 175.10 174.83 3fsf s LYS 53 N 1.33 3.78 -0.30 2.72 2.20 -0.02 -0.95 119.74 128.51 3fsf s LYS 53 Ca 0.03 -0.43 -0.13 0.00 -0.36 0.00 0.00 55.97 55.08 3fsf s LYS 53 Cb -0.15 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3fsf s LYS 53 CO -0.08 0.01 0.27 0.21 -0.36 0.00 0.00 175.35 175.41 3fsf s LYS 54 N 1.07 3.82 0.31 4.03 2.20 0.27 -1.01 119.74 130.43 3fsf s LYS 54 Ca 0.04 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.05 3fsf s LYS 54 Cb -0.14 -3.71 -0.10 0.00 -1.51 0.00 0.00 37.83 32.37 3fsf s LYS 54 CO 0.03 -0.30 1.34 -0.51 -0.36 0.00 0.00 175.35 175.55 3fsf s LEU 55 N 1.87 4.41 -0.35 5.43 1.43 -0.29 -0.97 118.68 130.20 3fsf s LEU 55 Ca 0.09 2.69 -0.19 0.00 -1.03 0.00 0.00 54.13 55.70 3fsf s LEU 55 Cb -0.16 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.41 3fsf s LEU 55 CO 0.11 -0.58 0.54 -0.55 0.23 0.00 0.00 176.35 176.10 3fsf s SER 56 N -0.27 6.34 -1.02 2.29 0.15 -1.26 -4.50 113.70 115.43 3fsf s SER 56 Ca 0.51 0.02 -0.16 0.00 0.70 0.00 0.00 55.95 57.02 3fsf s SER 56 Cb -0.40 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 61.64 3fsf s SER 56 CO 0.51 -0.50 0.68 0.54 1.20 0.00 0.00 173.24 175.67 3fsf n ARG 57 N 5.80 -1.02 -0.17 5.44 3.00 -1.26 -4.87 116.66 123.59 3fsf n ARG 57 Ca -0.04 0.53 0.07 0.00 -0.01 0.00 0.00 57.85 58.40 3fsf n ARG 57 Cb 0.49 -3.09 0.37 0.00 0.00 0.00 0.00 32.46 30.23 3fsf n ARG 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 3fsf h PRO 58 N -1.36 0.70 -1.02 5.56 0.11 -1.83 -3.23 132.00 130.93 3fsf h PRO 58 Ca -0.61 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 64.91 3fsf h PRO 58 Cb 1.36 -0.16 -0.42 0.00 0.11 0.00 0.00 31.00 31.89 3fsf h PRO 58 CO 0.44 0.46 -0.81 1.19 -0.21 0.00 0.00 178.00 179.07 3fsf n PHE 59 N -4.48 2.91 0.50 0.65 3.01 -1.26 -2.51 117.46 116.29 3fsf n PHE 59 Ca 0.10 -2.55 0.12 0.00 1.01 0.00 0.00 57.45 56.13 3fsf n PHE 59 Cb 0.23 -0.24 0.20 0.00 -0.01 0.00 0.00 39.48 39.65 3fsf n PHE 59 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 3fsf h GLN 60 N 2.36 0.00 -3.22 -1.08 3.07 -1.91 -3.46 115.11 110.87 3fsf h GLN 60 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.06 3fsf h GLN 60 Cb 1.30 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.77 3fsf h GLN 60 CO 0.77 0.00 0.10 -1.54 0.09 0.00 0.00 178.83 178.24 3fsf s SER 61 N -4.56 -0.27 0.11 0.06 1.04 -1.26 -5.00 113.70 103.80 3fsf s SER 61 Ca 0.06 -0.52 -0.25 0.00 0.48 0.00 0.00 55.95 55.72 3fsf s SER 61 Cb 0.12 0.63 -0.09 0.00 0.10 0.00 0.00 66.02 66.78 3fsf s SER 61 CO 0.70 -1.15 1.67 0.40 0.98 0.00 0.00 173.24 175.84 3fsf h ILE 62 N 2.12 0.63 -0.99 -1.02 2.04 -1.94 0.27 117.51 118.62 3fsf h ILE 62 Ca -0.26 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.74 3fsf h ILE 62 Cb 1.26 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.88 3fsf h ILE 62 CO 0.33 0.00 0.62 0.40 0.00 0.00 0.00 178.15 179.50 3fsf h ILE 63 N -0.30 0.87 -0.04 -0.67 1.08 -1.97 0.19 117.51 116.67 3fsf h ILE 63 Ca 0.03 -0.31 -0.09 0.00 -0.39 0.00 0.00 64.86 64.10 3fsf h ILE 63 Cb 0.33 -0.12 0.01 0.00 -3.07 0.00 0.00 36.82 33.96 3fsf h ILE 63 CO -0.11 0.17 -0.33 0.45 -0.69 0.00 0.00 178.15 177.64 3fsf h HIS 64 N 0.91 0.41 -0.74 1.37 3.86 -1.67 -1.86 115.15 117.42 3fsf h HIS 64 Ca 0.51 -0.19 0.03 0.00 -1.16 0.00 0.00 60.37 59.55 3fsf h HIS 64 Cb 0.61 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 3fsf h HIS 64 CO -0.00 0.96 0.47 0.00 0.86 0.00 0.00 177.93 180.22 3fsf h ALA 65 N 0.36 0.96 -0.08 2.45 0.00 -0.08 0.97 119.26 123.85 3fsf h ALA 65 Ca -0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3fsf h ALA 65 Cb 1.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3fsf h ALA 65 CO 0.07 0.28 -0.50 -0.22 0.00 0.00 0.00 179.25 178.88 3fsf h LYS 66 N 0.93 0.20 -0.41 0.00 3.64 -1.02 -1.95 116.57 117.96 3fsf h LYS 66 Ca 0.29 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3fsf h LYS 66 Cb -0.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3fsf h LYS 66 CO -0.10 0.65 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.62 3fsf h ARG 67 N 0.16 0.73 -0.34 1.90 2.43 -0.54 -0.20 114.38 118.52 3fsf h ARG 67 Ca 0.01 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3fsf h ARG 67 Cb 0.94 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 3fsf h ARG 67 CO 0.07 0.83 0.19 1.15 -1.51 0.00 0.00 179.97 180.71 3fsf h THR 68 N 0.56 1.12 -0.34 0.20 2.02 -0.59 -0.17 112.91 115.71 3fsf h THR 68 Ca 0.11 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.99 3fsf h THR 68 Cb 0.51 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3fsf h THR 68 CO 0.03 0.13 0.22 0.22 0.37 0.00 0.00 175.52 176.48 3fsf h TYR 69 N 0.43 0.42 -0.32 3.16 3.20 -1.25 -1.25 116.97 121.36 3fsf h TYR 69 Ca 0.12 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.05 3fsf h TYR 69 Cb 0.03 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 3fsf h TYR 69 CO -0.03 0.26 0.06 -0.09 -1.64 0.00 0.00 178.16 176.71 3fsf h ARG 70 N 0.45 0.16 -0.52 1.82 2.43 -0.68 0.21 114.38 118.25 3fsf h ARG 70 Ca 0.13 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3fsf h ARG 70 Cb -0.04 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3fsf h ARG 70 CO -0.04 0.11 0.12 1.49 -1.51 0.00 0.00 179.97 180.15 3fsf h GLU 71 N 0.17 0.84 -0.57 0.20 4.81 -0.68 -1.94 114.58 117.41 3fsf h GLU 71 Ca 0.15 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3fsf h GLU 71 Cb 0.16 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3fsf h GLU 71 CO -0.20 0.80 0.23 1.25 -0.73 0.00 0.00 179.01 180.36 3fsf h LEU 72 N 0.73 0.78 -0.37 1.64 5.85 -0.88 -1.76 115.31 121.31 3fsf h LEU 72 Ca 0.16 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3fsf h LEU 72 Cb 0.34 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3fsf h LEU 72 CO 0.00 0.74 0.23 0.03 -0.34 0.00 0.00 178.44 179.10 3fsf h ARG 73 N 0.78 0.50 0.38 1.25 2.47 -0.81 -1.18 114.38 117.79 3fsf h ARG 73 Ca 0.19 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 3fsf h ARG 73 Cb 0.20 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3fsf h ARG 73 CO -0.02 0.37 -0.26 1.25 0.56 0.00 0.00 179.97 181.88 3fsf h LEU 74 N 0.49 -0.66 -1.00 3.04 6.46 -1.18 -2.22 115.31 120.24 3fsf h LEU 74 Ca 0.13 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 3fsf h LEU 74 Cb -0.01 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 3fsf h LEU 74 CO -0.03 -0.40 0.39 -0.07 -0.62 0.00 0.00 178.44 177.71 3fsf h LEU 75 N -0.63 0.99 -1.85 2.25 4.07 -1.27 -1.16 115.31 117.72 3fsf h LEU 75 Ca -0.04 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.79 3fsf h LEU 75 Cb 0.53 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 3fsf h LEU 75 CO 0.02 0.82 -0.14 0.11 -1.08 0.00 0.00 178.44 178.18 3fsf h LYS 76 N 1.09 0.00 0.23 1.13 1.57 -1.11 -3.19 116.57 116.29 3fsf h LYS 76 Ca 0.27 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.71 3fsf h LYS 76 Cb 0.08 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.42 3fsf h LYS 76 CO -0.04 0.14 -1.58 1.25 -0.57 0.00 0.00 179.45 178.65 3fsf h HIS 77 N 0.00 0.87 -2.70 -1.35 2.76 -0.58 -3.46 115.15 110.69 3fsf h HIS 77 Ca -0.00 -0.63 -0.57 0.00 -2.20 0.00 0.00 60.37 56.96 3fsf h HIS 77 Cb 0.33 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 3fsf h HIS 77 CO 0.00 1.60 1.26 -1.64 -1.30 0.00 0.00 177.93 177.85 3fsf s MET 78 N -2.59 3.35 -0.50 5.26 -1.94 -0.93 -4.95 119.30 116.99 3fsf s MET 78 Ca -0.11 1.38 0.03 0.00 -1.71 0.00 0.00 55.69 55.28 3fsf s MET 78 Cb 0.05 -4.18 0.15 0.00 2.01 0.00 0.00 34.83 32.86 3fsf s MET 78 CO 0.91 -1.84 0.34 0.15 -0.01 0.00 0.00 175.02 174.57 3fsf s LYS 79 N 5.61 1.50 -0.10 2.03 1.02 -1.26 -4.35 119.74 124.20 3fsf s LYS 79 Ca 0.78 -2.40 -0.20 0.00 0.02 0.00 0.00 55.97 54.17 3fsf s LYS 79 Cb -0.22 -2.38 0.05 0.00 -0.52 0.00 0.00 37.83 34.76 3fsf s LYS 79 CO 0.33 -1.26 0.49 -1.58 -0.92 0.00 0.00 175.35 172.41 3fsf s HIS 80 N -0.22 -0.46 0.56 3.18 2.46 -1.26 -5.05 115.29 114.49 3fsf s HIS 80 Ca 0.24 0.95 0.25 0.00 0.47 0.00 0.00 55.06 56.97 3fsf s HIS 80 Cb -0.11 0.22 1.62 0.00 -0.13 0.00 0.00 32.58 34.17 3fsf s HIS 80 CO -0.10 -0.39 2.21 0.93 -2.47 0.00 0.00 174.74 174.92 3fsf h GLU 81 N 4.27 0.00 -0.53 2.88 5.08 -1.98 -2.58 114.58 121.72 3fsf h GLU 81 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3fsf h GLU 81 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3fsf h GLU 81 CO 0.31 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.41 3fsf n ASN 82 N -4.08 4.11 -4.04 1.42 4.13 -1.26 -4.70 115.26 110.82 3fsf n ASN 82 Ca -0.03 -2.36 -0.19 0.00 1.68 0.00 0.00 54.58 53.67 3fsf n ASN 82 Cb 0.09 -0.48 -0.15 0.00 -1.54 0.00 0.00 39.78 37.70 3fsf n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3fsf s VAL 83 N -1.67 0.80 0.15 2.41 1.01 -0.97 -0.03 120.40 122.09 3fsf s VAL 83 Ca 0.43 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 3fsf s VAL 83 Cb 0.27 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.89 3fsf s VAL 83 CO 0.21 0.22 1.51 -0.51 0.00 0.00 0.00 175.10 176.53 3fsf s ILE 84 N -0.25 2.84 0.42 2.22 2.07 -0.19 -4.47 121.20 123.84 3fsf s ILE 84 Ca 0.04 0.60 0.00 0.00 -1.41 0.00 0.00 60.65 59.88 3fsf s ILE 84 Cb -0.04 -3.39 -0.00 0.00 0.13 0.00 0.00 42.46 39.16 3fsf s ILE 84 CO -0.00 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 3fsf n GLY 85 N 3.66 3.68 3.53 1.50 0.00 -1.26 -4.82 105.19 111.47 3fsf n GLY 85 Ca 0.13 -2.34 -0.37 0.00 0.00 0.00 0.00 46.02 43.44 3fsf n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fsf s LEU 86 N 0.00 3.72 -0.02 0.99 2.96 -1.21 -4.60 118.68 120.52 3fsf s LEU 86 Ca 0.00 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 3fsf s LEU 86 Cb 0.00 -2.01 -0.24 0.00 0.50 0.00 0.00 46.19 44.44 3fsf s LEU 86 CO 0.00 -0.02 0.74 -0.07 -1.32 0.00 0.00 176.35 175.69 3fsf h LEU 87 N 8.11 0.11 -7.00 -0.68 3.38 -0.90 -3.43 115.31 114.90 3fsf h LEU 87 Ca -0.37 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 57.50 3fsf h LEU 87 Cb 1.18 -0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 3fsf h LEU 87 CO 0.58 1.17 0.50 -0.62 0.09 0.00 0.00 178.44 180.16 3fsf s ASP 88 N -6.42 -0.38 -0.07 -0.43 3.68 -1.09 -4.60 116.67 107.35 3fsf s ASP 88 Ca -0.07 0.20 -0.06 0.00 2.13 0.00 0.00 52.55 54.76 3fsf s ASP 88 Cb 0.08 0.36 0.02 0.00 -1.45 0.00 0.00 42.92 41.93 3fsf s ASP 88 CO 0.82 -0.51 0.17 0.54 0.13 0.00 0.00 175.17 176.32 3fsf s VAL 89 N -2.23 -0.01 0.17 1.11 0.11 -1.26 -0.29 120.40 118.00 3fsf s VAL 89 Ca 0.01 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 58.92 3fsf s VAL 89 Cb -0.01 -0.25 0.03 0.00 -1.53 0.00 0.00 36.38 34.62 3fsf s VAL 89 CO -0.04 0.01 0.47 0.72 -3.33 0.00 0.00 175.10 172.93 3fsf s PHE 90 N 0.26 -0.14 0.01 1.54 -0.12 -0.76 -4.97 117.98 113.79 3fsf s PHE 90 Ca -0.01 -0.19 0.00 0.00 -0.05 0.00 0.00 56.93 56.68 3fsf s PHE 90 Cb -0.03 0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 42.68 3fsf s PHE 90 CO -0.01 -0.82 -0.01 -0.08 -0.05 0.00 0.00 175.22 174.25 3fsf s THR 91 N -3.85 0.03 -0.88 -4.49 -1.32 -1.26 -1.42 115.64 102.46 3fsf s THR 91 Ca 0.07 -0.24 0.23 0.00 -1.21 0.00 0.00 61.69 60.53 3fsf s THR 91 Cb 0.00 -0.08 0.21 0.00 -1.51 0.00 0.00 72.50 71.12 3fsf s THR 91 CO -0.07 -0.13 1.71 -0.81 -2.21 0.00 0.00 174.62 173.11 3fsf n PRO 92 N 2.69 0.07 -1.74 7.08 -0.04 -1.26 -4.82 135.00 136.98 3fsf n PRO 92 Ca -0.15 0.19 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 3fsf n PRO 92 Cb 0.59 -1.61 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 3fsf n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fsf n ALA 93 N -1.59 1.81 0.96 0.55 0.00 -1.26 -4.93 120.51 116.06 3fsf n ALA 93 Ca 0.05 0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.87 3fsf n ALA 93 Cb 0.27 -2.35 -0.04 0.00 0.00 0.00 0.00 19.45 17.33 3fsf n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fsf n ARG 94 N 0.02 0.02 -3.86 0.00 1.74 -1.26 -4.96 116.66 108.36 3fsf n ARG 94 Ca 0.05 -0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.05 3fsf n ARG 94 Cb 0.40 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 3fsf n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3fsf s SER 95 N -3.06 -0.24 0.27 0.55 1.04 -1.26 -5.04 113.70 105.95 3fsf s SER 95 Ca 0.08 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 55.85 3fsf s SER 95 Cb 0.16 0.69 0.35 0.00 0.10 0.00 0.00 66.02 67.32 3fsf s SER 95 CO 0.84 -1.28 1.86 0.25 0.98 0.00 0.00 173.24 175.89 3fsf h LEU 96 N 2.06 0.92 -1.23 2.42 5.85 -1.96 -1.60 115.31 121.77 3fsf h LEU 96 Ca -0.22 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3fsf h LEU 96 Cb 1.25 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3fsf h LEU 96 CO 0.27 0.80 0.27 1.05 -0.34 0.00 0.00 178.44 180.49 3fsf h GLU 97 N 1.00 0.81 -0.00 1.25 9.09 -2.02 -2.32 114.58 122.39 3fsf h GLU 97 Ca 0.24 -0.10 0.00 0.00 0.05 0.00 0.00 59.36 59.55 3fsf h GLU 97 Cb 0.14 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.08 3fsf h GLU 97 CO -0.03 0.63 -0.33 -1.91 0.05 0.00 0.00 179.01 177.42 3fsf n GLU 98 N -4.36 0.55 -1.87 1.06 2.13 -1.02 -4.93 120.64 112.20 3fsf n GLU 98 Ca 0.05 -0.32 -0.42 0.00 0.66 0.00 0.00 57.16 57.13 3fsf n GLU 98 Cb 0.13 -1.49 -0.03 0.00 0.27 0.00 0.00 31.44 30.32 3fsf n GLU 98 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3fsf s PHE 99 N -2.67 1.67 0.00 4.31 5.36 -0.63 -4.76 117.98 121.26 3fsf s PHE 99 Ca 0.20 0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 3fsf s PHE 99 Cb 0.19 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 3fsf s PHE 99 CO 0.58 -4.37 0.00 0.09 -1.46 0.00 0.00 175.22 170.06 3fsf n ASN 100 N 7.87 0.00 -4.37 6.13 3.02 -1.26 -5.04 115.26 121.60 3fsf n ASN 100 Ca 0.20 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.47 3fsf n ASN 100 Cb 0.43 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.47 3fsf n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3fsf s ASP 101 N -0.45 3.18 -0.06 6.41 -0.00 -1.26 -4.65 116.67 119.84 3fsf s ASP 101 Ca 0.00 -0.75 0.01 0.00 -0.00 0.00 0.00 52.55 51.81 3fsf s ASP 101 Cb 0.00 -0.21 0.02 0.00 -0.00 0.00 0.00 42.92 42.73 3fsf s ASP 101 CO 0.00 0.15 -0.08 -0.69 -0.00 0.00 0.00 175.17 174.54 3fsf s VAL 102 N -1.17 0.87 -0.07 -1.27 1.01 -1.26 -4.55 120.40 113.96 3fsf s VAL 102 Ca 0.13 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.86 3fsf s VAL 102 Cb -0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3fsf s VAL 102 CO 0.06 0.30 -0.22 -0.31 0.00 0.00 0.00 175.10 174.93 3fsf s TYR 103 N 0.87 2.53 -0.07 5.22 1.51 -0.50 -1.14 117.35 125.77 3fsf s TYR 103 Ca -0.11 -0.66 0.05 0.00 -1.01 0.00 0.00 57.07 55.34 3fsf s TYR 103 Cb -0.15 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.05 3fsf s TYR 103 CO 0.01 -0.18 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.53 3fsf s LEU 104 N -0.14 2.16 -0.12 -1.29 1.43 -0.18 -1.83 118.68 118.73 3fsf s LEU 104 Ca -0.04 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 3fsf s LEU 104 Cb -0.14 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3fsf s LEU 104 CO 0.04 0.24 -0.19 -0.69 0.23 0.00 0.00 176.35 175.98 3fsf s VAL 105 N -0.12 2.53 0.30 -1.59 1.01 0.61 -0.84 120.40 122.30 3fsf s VAL 105 Ca -0.04 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3fsf s VAL 105 Cb -0.14 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3fsf s VAL 105 CO 0.04 0.54 0.14 0.42 0.00 0.00 0.00 175.10 176.24 3fsf s THR 106 N 0.40 0.41 0.48 3.92 -4.23 -0.77 -0.16 115.64 115.69 3fsf s THR 106 Ca -0.14 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.13 3fsf s THR 106 Cb -0.17 -2.54 -0.07 0.00 1.34 0.00 0.00 72.50 71.06 3fsf s THR 106 CO 0.06 0.00 1.33 -1.00 -0.54 0.00 0.00 174.62 174.47 3fsf s HIS 107 N -3.63 2.54 -0.07 3.99 3.76 -1.26 -0.92 115.29 119.70 3fsf s HIS 107 Ca 0.36 1.38 -0.24 0.00 -0.15 0.00 0.00 55.06 56.41 3fsf s HIS 107 Cb 0.06 -3.73 -0.04 0.00 1.11 0.00 0.00 32.58 29.98 3fsf s HIS 107 CO 0.16 -2.49 0.71 -1.17 -0.85 0.00 0.00 174.74 171.10 3fsf s LEU 108 N -3.01 4.31 0.15 0.89 2.96 -0.88 -4.27 118.68 118.83 3fsf s LEU 108 Ca 0.64 1.20 0.04 0.00 -0.22 0.00 0.00 54.13 55.79 3fsf s LEU 108 Cb -0.39 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 3fsf s LEU 108 CO 0.48 -0.14 0.16 -0.04 -1.32 0.00 0.00 176.35 175.49 3fsf s MET 109 N 0.89 3.03 -0.03 1.98 -1.94 -1.26 -4.91 119.30 117.06 3fsf s MET 109 Ca 0.38 -0.77 -0.19 0.00 -1.71 0.00 0.00 55.69 53.40 3fsf s MET 109 Cb -0.18 -2.74 -0.12 0.00 2.01 0.00 0.00 34.83 33.80 3fsf s MET 109 CO 0.18 0.51 0.82 0.78 -0.01 0.00 0.00 175.02 177.30 3fsf h GLY 110 N 2.49 -0.48 -3.20 -0.03 0.00 -1.96 -3.49 103.07 96.41 3fsf h GLY 110 Ca -0.48 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3fsf h GLY 110 CO 0.65 -0.17 0.19 0.00 0.00 0.00 0.00 176.54 177.21 3fsf s ALA 111 N -4.05 -1.59 0.37 3.60 0.00 -1.26 -5.06 121.76 113.77 3fsf s ALA 111 Ca -0.11 0.61 -0.08 0.00 0.00 0.00 0.00 51.96 52.38 3fsf s ALA 111 Cb 0.01 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.78 3fsf s ALA 111 CO 0.37 -0.69 0.70 0.16 0.00 0.00 0.00 175.76 176.30 3fsf s ASP 112 N -2.46 6.48 0.29 0.00 3.84 -1.26 -2.16 116.67 121.40 3fsf s ASP 112 Ca -0.01 0.97 0.03 0.00 -0.00 0.00 0.00 52.55 53.54 3fsf s ASP 112 Cb -0.01 -2.25 0.71 0.00 -1.38 0.00 0.00 42.92 39.98 3fsf s ASP 112 CO -0.09 -0.34 1.71 0.25 -0.00 0.00 0.00 175.17 176.70 3fsf h LEU 113 N 1.32 0.40 -0.29 2.11 5.85 0.45 -1.81 115.31 123.34 3fsf h LEU 113 Ca -0.47 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3fsf h LEU 113 Cb 1.19 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3fsf h LEU 113 CO 0.64 0.05 0.15 -1.13 -0.34 0.00 0.00 178.44 177.81 3fsf h ASN 114 N 0.46 0.23 0.48 1.25 -0.73 -1.77 -1.37 115.58 114.14 3fsf h ASN 114 Ca 0.55 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.73 3fsf h ASN 114 Cb 1.00 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.56 3fsf h ASN 114 CO -0.49 0.17 0.00 0.59 -0.37 0.00 0.00 177.43 177.33 3fsf n ASN 115 N -4.95 0.00 -0.12 1.15 5.03 -0.72 -3.19 115.26 112.45 3fsf n ASN 115 Ca -0.01 0.24 -0.26 0.00 0.87 0.00 0.00 54.58 55.43 3fsf n ASN 115 Cb 0.07 -0.39 -0.09 0.00 -1.02 0.00 0.00 39.78 38.35 3fsf n ASN 115 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3fsf n ILE 116 N -1.39 1.34 -1.11 2.41 5.41 -0.68 -4.81 119.36 120.54 3fsf n ILE 116 Ca 0.07 -0.35 0.09 0.00 1.00 0.00 0.00 62.75 63.56 3fsf n ILE 116 Cb 0.18 -1.81 0.18 0.00 -0.71 0.00 0.00 39.64 37.48 3fsf n ILE 116 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3fsf n VAL 117 N -4.05 2.03 -1.88 1.39 0.24 -0.60 -5.03 118.33 110.43 3fsf n VAL 117 Ca -0.48 -2.28 -0.40 0.00 -2.04 0.00 0.00 64.34 59.14 3fsf n VAL 117 Cb 0.85 -0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 32.97 3fsf n VAL 117 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3fsf s LYS 118 N -2.91 4.02 -1.85 7.34 -2.85 -1.19 -1.65 119.74 120.64 3fsf s LYS 118 Ca 0.35 2.42 0.00 0.00 -1.00 0.00 0.00 55.97 57.75 3fsf s LYS 118 Cb 0.31 -2.88 0.00 0.00 -2.06 0.00 0.00 37.83 33.20 3fsf s LYS 118 CO 0.03 -0.54 0.00 0.00 0.10 0.00 0.00 175.35 174.94 3fsf s GLN 120 N -3.55 1.30 -0.12 0.00 2.00 -0.66 -4.94 119.66 113.68 3fsf s GLN 120 Ca 0.00 -0.42 -0.22 0.00 -2.00 0.00 0.00 55.36 52.72 3fsf s GLN 120 Cb 0.00 -1.16 -0.03 0.00 0.80 0.00 0.00 33.01 32.62 3fsf s GLN 120 CO 0.00 0.16 0.68 0.21 -0.50 0.00 0.00 175.29 175.83 3fsf s LYS 121 N 0.17 4.34 0.21 1.67 2.20 -1.26 -3.81 119.74 123.27 3fsf s LYS 121 Ca -0.04 0.79 0.03 0.00 -0.36 0.00 0.00 55.97 56.38 3fsf s LYS 121 Cb -0.10 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 3fsf s LYS 121 CO 0.01 -0.07 0.36 -0.51 -0.36 0.00 0.00 175.35 174.78 3fsf s LEU 122 N 1.30 4.27 0.73 5.43 1.02 -0.17 -4.94 118.68 126.33 3fsf s LEU 122 Ca 0.34 0.21 -0.13 0.00 0.02 0.00 0.00 54.13 54.57 3fsf s LEU 122 Cb -0.17 -2.99 0.04 0.00 0.02 0.00 0.00 46.19 43.09 3fsf s LEU 122 CO 0.14 -0.05 1.11 0.42 0.02 0.00 0.00 176.35 178.00 3fsf s THR 123 N -1.92 3.09 0.23 5.49 -4.23 -1.26 -4.73 115.64 112.31 3fsf s THR 123 Ca 0.36 0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 61.22 3fsf s THR 123 Cb -0.10 -2.90 0.20 0.00 1.34 0.00 0.00 72.50 71.04 3fsf s THR 123 CO 0.30 -0.39 1.89 -0.78 -0.54 0.00 0.00 174.62 175.10 3fsf h ASP 124 N -0.63 0.94 -0.56 3.99 3.58 -1.97 -1.14 116.42 120.64 3fsf h ASP 124 Ca -0.45 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 56.95 3fsf h ASP 124 Cb 1.25 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 42.05 3fsf h ASP 124 CO 0.51 0.66 0.25 -0.78 -2.88 0.00 0.00 179.24 177.00 3fsf h ASP 125 N 1.11 0.78 -0.32 2.28 -0.00 -2.00 0.10 116.42 118.37 3fsf h ASP 125 Ca 0.33 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.03 57.24 3fsf h ASP 125 Cb -0.05 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.07 3fsf h ASP 125 CO -0.10 0.69 0.09 -0.74 -0.00 0.00 0.00 179.24 179.18 3fsf h HIS 126 N 0.85 0.53 -0.44 0.28 2.76 -1.76 -2.56 115.15 114.79 3fsf h HIS 126 Ca 0.20 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3fsf h HIS 126 Cb 0.15 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 3fsf h HIS 126 CO 0.01 0.54 0.20 0.28 -1.30 0.00 0.00 177.93 177.67 3fsf h VAL 127 N 0.36 1.19 -0.23 5.26 2.07 -0.41 -2.07 116.25 122.42 3fsf h VAL 127 Ca 0.10 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3fsf h VAL 127 Cb 0.28 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3fsf h VAL 127 CO -0.00 0.21 -0.19 1.56 0.02 0.00 0.00 177.57 179.18 3fsf h GLN 128 N 0.57 -0.18 0.20 1.57 4.20 -0.90 -0.87 115.11 119.71 3fsf h GLN 128 Ca 0.15 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3fsf h GLN 128 Cb 0.15 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 3fsf h GLN 128 CO -0.02 -0.12 -0.13 0.35 -0.67 0.00 0.00 178.83 178.25 3fsf h PHE 129 N -0.19 -0.33 0.15 2.96 3.57 -1.22 0.04 116.94 121.92 3fsf h PHE 129 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3fsf h PHE 129 Cb 0.39 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.25 3fsf h PHE 129 CO -0.34 -0.20 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.40 3fsf h LEU 130 N -0.32 -0.17 -0.83 0.59 3.38 -1.21 -2.17 115.31 114.58 3fsf h LEU 130 Ca -0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3fsf h LEU 130 Cb 0.27 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3fsf h LEU 130 CO 0.01 -0.04 0.43 0.40 0.09 0.00 0.00 178.44 179.33 3fsf h ILE 131 N -0.28 1.25 -0.61 1.22 1.08 -1.15 -1.87 117.51 117.15 3fsf h ILE 131 Ca -0.02 -0.66 0.08 0.00 -0.39 0.00 0.00 64.86 63.87 3fsf h ILE 131 Cb 0.22 0.16 -0.06 0.00 -3.07 0.00 0.00 36.82 34.06 3fsf h ILE 131 CO 0.03 0.29 0.27 0.22 -0.69 0.00 0.00 178.15 178.27 3fsf h TYR 132 N 1.17 0.47 -0.51 1.37 3.20 -0.83 -0.49 116.97 121.36 3fsf h TYR 132 Ca 0.29 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 3fsf h TYR 132 Cb 0.07 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3fsf h TYR 132 CO 0.01 0.17 -0.01 1.96 -1.64 0.00 0.00 178.16 178.65 3fsf h GLN 133 N 0.48 0.87 -0.27 1.82 4.20 -0.92 0.01 115.11 121.30 3fsf h GLN 133 Ca 0.29 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3fsf h GLN 133 Cb 0.31 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3fsf h GLN 133 CO -0.26 0.88 0.12 0.82 -0.67 0.00 0.00 178.83 179.71 3fsf h ILE 134 N 0.81 1.17 -0.11 2.54 2.04 -0.54 -1.51 117.51 121.91 3fsf h ILE 134 Ca 0.15 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3fsf h ILE 134 Cb 0.49 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3fsf h ILE 134 CO 0.02 0.17 -0.21 -0.07 0.00 0.00 0.00 178.15 178.06 3fsf h LEU 135 N 0.29 0.18 -0.25 1.44 3.38 -0.89 -0.01 115.31 119.45 3fsf h LEU 135 Ca 0.09 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3fsf h LEU 135 Cb 0.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3fsf h LEU 135 CO -0.01 0.40 -0.19 -0.09 0.09 0.00 0.00 178.44 178.64 3fsf h ARG 136 N 0.17 0.57 -0.42 1.13 2.43 -0.69 0.53 114.38 118.10 3fsf h ARG 136 Ca 0.03 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 58.89 3fsf h ARG 136 Cb 0.48 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3fsf h ARG 136 CO 0.03 0.86 0.13 0.78 -1.51 0.00 0.00 179.97 180.26 3fsf h GLY 137 N 0.28 0.70 1.22 2.80 0.00 -1.02 -2.82 103.07 104.23 3fsf h GLY 137 Ca 0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3fsf h GLY 137 CO 0.05 0.39 0.13 -2.00 0.00 0.00 0.00 176.54 175.11 3fsf h LEU 138 N 0.53 0.91 -0.86 3.11 5.85 -0.94 -0.43 115.31 123.47 3fsf h LEU 138 Ca 0.14 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3fsf h LEU 138 Cb 0.26 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3fsf h LEU 138 CO -0.00 0.89 0.56 0.50 -0.34 0.00 0.00 178.44 180.05 3fsf h LYS 139 N 0.92 1.05 -0.01 1.25 3.64 -0.74 0.17 116.57 122.85 3fsf h LYS 139 Ca 0.19 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3fsf h LYS 139 Cb 0.36 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3fsf h LYS 139 CO 0.00 0.69 0.00 -0.92 -2.27 0.00 0.00 179.45 176.96 3fsf h TYR 140 N 1.08 0.02 0.08 1.91 3.20 -1.13 -1.98 116.97 120.15 3fsf h TYR 140 Ca 0.35 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 3fsf h TYR 140 Cb 0.01 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3fsf h TYR 140 CO -0.02 0.21 -0.05 0.82 -1.64 0.00 0.00 178.16 177.48 3fsf h ILE 141 N -0.18 0.89 -0.29 1.81 2.04 -0.80 -2.92 117.51 118.05 3fsf h ILE 141 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3fsf h ILE 141 Cb 0.21 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3fsf h ILE 141 CO -0.00 0.00 0.11 0.45 0.00 0.00 0.00 178.15 178.71 3fsf h HIS 142 N -0.13 0.40 0.00 1.37 3.86 -1.00 -1.87 115.15 117.78 3fsf h HIS 142 Ca -0.01 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3fsf h HIS 142 Cb 0.11 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3fsf h HIS 142 CO -0.08 0.32 0.00 0.66 0.86 0.00 0.00 177.93 179.69 3fsf h SER 143 N 0.41 0.00 -0.27 2.45 4.64 -1.16 0.19 113.55 119.80 3fsf h SER 143 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3fsf h SER 143 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3fsf h SER 143 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 3fsf n ALA 144 N -2.05 2.46 -2.60 5.18 0.00 -0.73 -4.76 120.51 118.00 3fsf n ALA 144 Ca -0.01 -0.82 -0.14 0.00 0.00 0.00 0.00 53.44 52.47 3fsf n ALA 144 Cb 0.16 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 18.69 3fsf n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fsf n ASP 145 N 1.14 -4.28 -4.59 0.00 10.43 0.65 -3.99 116.55 115.91 3fsf n ASP 145 Ca 0.18 -0.14 -0.34 0.00 2.57 0.00 0.00 54.79 57.06 3fsf n ASP 145 Cb 0.53 -3.24 -0.11 0.00 1.84 0.00 0.00 41.12 40.14 3fsf n ASP 145 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3fsf s ILE 146 N -2.86 3.76 -0.19 0.53 1.01 -1.05 -5.03 121.20 117.37 3fsf s ILE 146 Ca 0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 3fsf s ILE 146 Cb -0.06 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.87 3fsf s ILE 146 CO 0.17 0.60 -0.13 -0.63 0.00 0.00 0.00 174.94 174.95 3fsf s ILE 147 N -0.77 2.66 0.08 2.92 1.01 -1.26 -3.69 121.20 122.16 3fsf s ILE 147 Ca 0.12 -0.74 -0.27 0.00 0.00 0.00 0.00 60.65 59.75 3fsf s ILE 147 Cb -0.11 -2.16 -0.16 0.00 0.01 0.00 0.00 42.46 40.04 3fsf s ILE 147 CO 0.02 0.49 1.68 -0.74 0.00 0.00 0.00 174.94 176.39 3fsf h HIS 148 N 7.90 -0.41 0.00 3.97 -0.00 -1.96 -3.45 115.15 121.21 3fsf h HIS 148 Ca -0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 3fsf h HIS 148 Cb 1.16 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 3fsf h HIS 148 CO 0.52 -0.25 0.00 -2.13 -0.00 0.00 0.00 177.93 176.07 3fsf n ARG 149 N -5.28 0.00 -2.16 5.26 0.63 -1.26 -2.15 116.66 111.71 3fsf n ARG 149 Ca -0.10 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.84 3fsf n ARG 149 Cb 0.19 -2.15 0.04 0.00 0.45 0.00 0.00 32.46 30.99 3fsf n ARG 149 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3fsf n ASP 150 N 0.00 0.88 -4.73 6.15 2.03 -1.26 -4.92 116.55 114.69 3fsf n ASP 150 Ca 0.00 -2.03 -0.42 0.00 0.52 0.00 0.00 54.79 52.86 3fsf n ASP 150 Cb 0.00 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 3fsf n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fsf s LEU 151 N -2.05 4.37 0.13 -2.67 1.43 -1.26 -4.89 118.68 113.75 3fsf s LEU 151 Ca 0.26 2.64 -0.22 0.00 -1.03 0.00 0.00 54.13 55.78 3fsf s LEU 151 Cb 0.33 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 43.01 3fsf s LEU 151 CO -0.10 -0.78 0.56 -0.54 0.23 0.00 0.00 176.35 175.72 3fsf s LYS 152 N 0.53 1.21 0.43 1.70 1.02 -1.26 -4.83 119.74 118.54 3fsf s LYS 152 Ca 0.66 -0.47 0.14 0.00 0.02 0.00 0.00 55.97 56.32 3fsf s LYS 152 Cb -0.43 0.55 1.03 0.00 -0.52 0.00 0.00 37.83 38.46 3fsf s LYS 152 CO 0.36 -0.51 1.98 -1.35 -0.92 0.00 0.00 175.35 174.92 3fsf h PRO 153 N 2.18 0.40 0.00 -1.68 0.11 -1.94 -0.47 132.00 130.60 3fsf h PRO 153 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3fsf h PRO 153 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fsf h PRO 153 CO 0.40 0.26 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 3fsf n SER 154 N -4.47 0.00 -0.70 -2.05 3.41 -1.26 -2.41 113.62 106.14 3fsf n SER 154 Ca 0.10 -0.49 0.07 0.00 -0.26 0.00 0.00 58.87 58.29 3fsf n SER 154 Cb 0.37 -0.09 0.20 0.00 -0.26 0.00 0.00 64.21 64.43 3fsf n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fsf n ASN 155 N -1.09 3.35 -4.01 4.04 3.02 -0.19 -4.87 115.26 115.51 3fsf n ASN 155 Ca 0.15 -2.62 -0.30 0.00 -0.03 0.00 0.00 54.58 51.78 3fsf n ASN 155 Cb 0.11 -0.40 -0.16 0.00 -0.61 0.00 0.00 39.78 38.72 3fsf n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fsf s LEU 156 N -2.10 1.81 -0.04 3.41 1.43 -1.01 -0.61 118.68 121.56 3fsf s LEU 156 Ca 0.33 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3fsf s LEU 156 Cb 0.24 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 3fsf s LEU 156 CO 0.10 -0.08 0.05 0.00 0.23 0.00 0.00 176.35 176.65 3fsf s ALA 157 N 1.48 3.49 -0.11 4.21 0.00 -0.54 0.67 121.76 130.96 3fsf s ALA 157 Ca 0.03 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 3fsf s ALA 157 Cb -0.14 -1.57 0.05 0.00 0.00 0.00 0.00 23.12 21.46 3fsf s ALA 157 CO -0.10 0.64 0.26 0.14 0.00 0.00 0.00 175.76 176.71 3fsf s VAL 158 N -1.06 -0.03 0.00 0.00 -7.23 -0.92 -0.51 120.40 110.65 3fsf s VAL 158 Ca 0.18 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 3fsf s VAL 158 Cb -0.12 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.42 3fsf s VAL 158 CO 0.09 0.05 0.00 -0.46 -0.31 0.00 0.00 175.10 174.47 3fsf n ASN 159 N 4.10 -0.11 0.10 4.85 0.23 -0.48 -4.25 115.26 119.70 3fsf n ASN 159 Ca -0.24 -0.46 -0.13 0.00 -0.53 0.00 0.00 54.58 53.22 3fsf n ASN 159 Cb 0.54 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.15 3fsf n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fsf h GLU 160 N 0.00 -0.24 0.00 -3.83 3.07 -2.01 -2.42 114.58 109.15 3fsf h GLU 160 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3fsf h GLU 160 Cb 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3fsf h GLU 160 CO 0.00 0.04 0.00 -0.25 -1.40 0.00 0.00 179.01 177.40 3fsf n ASP 161 N -5.08 0.00 -0.16 1.42 10.43 -1.26 -4.75 116.55 117.15 3fsf n ASP 161 Ca -0.09 -0.18 -0.02 0.00 2.57 0.00 0.00 54.79 57.08 3fsf n ASP 161 Cb 0.21 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 43.17 3fsf n ASP 161 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fsf s GLU 163 N -3.66 4.52 0.03 0.00 2.02 -1.26 -4.83 118.70 115.53 3fsf s GLU 163 Ca 0.00 1.17 0.07 0.00 0.02 0.00 0.00 54.97 56.23 3fsf s GLU 163 Cb 0.00 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 3fsf s GLU 163 CO 0.00 0.09 -0.21 -1.17 0.02 0.00 0.00 175.26 173.99 3fsf s LEU 164 N 0.58 2.44 -0.01 1.80 0.20 -1.26 -1.38 118.68 121.06 3fsf s LEU 164 Ca 0.44 -0.46 0.04 0.00 0.69 0.00 0.00 54.13 54.84 3fsf s LEU 164 Cb -0.20 -1.44 -0.01 0.00 -0.43 0.00 0.00 46.19 44.11 3fsf s LEU 164 CO 0.24 0.27 -0.14 -0.54 -0.29 0.00 0.00 176.35 175.89 3fsf s LYS 165 N -1.25 1.15 -0.06 1.98 1.02 0.33 -4.29 119.74 118.62 3fsf s LYS 165 Ca 0.13 -0.52 -0.23 0.00 0.02 0.00 0.00 55.97 55.37 3fsf s LYS 165 Cb -0.10 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.05 3fsf s LYS 165 CO 0.03 0.30 0.69 0.42 -0.92 0.00 0.00 175.35 175.87 3fsf s ILE 166 N -0.36 5.02 0.46 2.17 1.01 0.96 -1.46 121.20 129.00 3fsf s ILE 166 Ca 0.05 1.42 0.03 0.00 0.00 0.00 0.00 60.65 62.15 3fsf s ILE 166 Cb -0.06 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 3fsf s ILE 166 CO -0.00 0.28 0.10 -0.76 0.00 0.00 0.00 174.94 174.55 3fsf s LEU 167 N 0.65 2.05 -0.72 2.97 1.43 0.22 -1.02 118.68 124.28 3fsf s LEU 167 Ca 0.37 -1.73 -0.10 0.00 -1.03 0.00 0.00 54.13 51.63 3fsf s LEU 167 Cb -0.18 -0.26 0.02 0.00 0.03 0.00 0.00 46.19 45.79 3fsf s LEU 167 CO 0.18 -0.97 0.61 0.47 0.23 0.00 0.00 176.35 176.87 3fsf n ASP 168 N -1.42 -4.87 -4.75 2.29 8.00 -1.26 -4.82 116.55 109.72 3fsf n ASP 168 Ca -0.11 -0.76 -0.35 0.00 0.71 0.00 0.00 54.79 54.28 3fsf n ASP 168 Cb 0.65 -1.56 0.05 0.00 -0.02 0.00 0.00 41.12 40.24 3fsf n ASP 168 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3fsf s PHE 169 N -2.56 2.34 0.00 1.24 0.40 -1.26 -4.87 117.98 113.27 3fsf s PHE 169 Ca 0.10 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.98 3fsf s PHE 169 Cb -0.01 -3.42 0.00 0.00 0.51 0.00 0.00 43.02 40.10 3fsf s PHE 169 CO 0.88 -2.22 0.00 0.41 0.70 0.00 0.00 175.22 174.99 3fsf n GLY 170 N 0.30 0.00 3.59 4.36 0.00 -0.91 -5.02 105.19 107.51 3fsf n GLY 170 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 3fsf n GLY 170 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fsf s HIS 174 N 0.00 -0.23 0.02 1.61 2.46 -1.26 -5.05 115.29 112.84 3fsf s HIS 174 Ca 0.00 0.46 -0.34 0.00 0.47 0.00 0.00 55.06 55.65 3fsf s HIS 174 Cb 0.00 0.14 -0.12 0.00 -0.13 0.00 0.00 32.58 32.47 3fsf s HIS 174 CO 0.00 -0.12 1.78 2.41 -2.47 0.00 0.00 174.74 176.34 3fsf n THR 175 N 3.48 0.38 0.10 0.89 -1.04 -1.26 -4.86 114.28 111.97 3fsf n THR 175 Ca -0.16 -0.07 0.13 0.00 -2.04 0.00 0.00 64.05 61.91 3fsf n THR 175 Cb 0.56 -1.80 0.63 0.00 -1.82 0.00 0.00 70.33 67.90 3fsf n THR 175 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3fsf h ASP 176 N 8.11 0.08 -0.45 8.00 5.19 -2.05 0.31 116.42 135.62 3fsf h ASP 176 Ca -0.47 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.81 3fsf h ASP 176 Cb 1.26 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 3fsf h ASP 176 CO 0.93 0.05 -0.23 -0.78 -3.12 0.00 0.00 179.24 176.09 3fsf h ASP 177 N 0.09 0.98 0.29 6.45 1.82 -1.98 -2.57 116.42 121.50 3fsf h ASP 177 Ca 0.14 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 3fsf h ASP 177 Cb 0.44 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.18 3fsf h ASP 177 CO -0.01 1.17 0.00 -1.84 -1.61 0.00 0.00 179.24 176.95 3fsf n GLU 178 N -4.14 0.22 -0.26 0.28 0.28 0.08 -1.81 120.64 115.30 3fsf n GLU 178 Ca -0.01 0.14 0.10 0.00 -0.16 0.00 0.00 57.16 57.23 3fsf n GLU 178 Cb 0.46 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 32.07 3fsf n GLU 178 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3fsf n MET 179 N -1.28 2.59 -3.63 3.44 2.81 -0.97 -4.69 117.12 115.37 3fsf n MET 179 Ca 0.07 -2.36 -0.37 0.00 -1.81 0.00 0.00 57.70 53.23 3fsf n MET 179 Cb 0.12 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.10 3fsf n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3fsf s THR 180 N -1.13 5.26 0.00 2.03 2.01 -0.75 -4.81 115.64 118.25 3fsf s THR 180 Ca 0.39 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.94 3fsf s THR 180 Cb 0.21 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3fsf s THR 180 CO 0.28 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 3fsf n GLY 181 N 2.31 -0.80 3.45 4.40 0.00 -1.25 -4.52 105.19 108.79 3fsf n GLY 181 Ca -0.15 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 3fsf n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3fsf n TYR 182 N 0.00 4.41 -4.23 1.61 9.36 -1.00 -3.72 117.16 123.60 3fsf n TYR 182 Ca 0.00 -2.81 -0.18 0.00 3.32 0.00 0.00 57.90 58.23 3fsf n TYR 182 Cb 0.00 -2.62 -0.15 0.00 -0.63 0.00 0.00 39.34 35.94 3fsf n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3fsf s VAL 183 N 4.32 0.55 -0.35 2.97 -7.23 -1.26 -5.01 120.40 114.40 3fsf s VAL 183 Ca 0.53 -0.23 0.22 0.00 -1.81 0.00 0.00 61.98 60.70 3fsf s VAL 183 Cb 0.05 -0.51 0.23 0.00 0.56 0.00 0.00 36.38 36.71 3fsf s VAL 183 CO 0.06 0.19 1.68 0.00 -0.31 0.00 0.00 175.10 176.71 3fsf n ALA 184 N 3.36 1.35 0.30 1.32 0.00 -1.26 -1.75 120.51 123.84 3fsf n ALA 184 Ca -0.18 0.14 0.17 0.00 0.00 0.00 0.00 53.44 53.57 3fsf n ALA 184 Cb 0.55 -1.35 0.80 0.00 0.00 0.00 0.00 19.45 19.45 3fsf n ALA 184 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3fsf h THR 185 N 0.00 0.00 0.00 0.00 1.35 -1.95 -3.27 112.91 109.05 3fsf h THR 185 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3fsf h THR 185 Cb 0.18 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3fsf h THR 185 CO 0.00 0.00 -0.88 -1.14 -0.25 0.00 0.00 175.52 173.25 3fsf n ARG 186 N -2.85 1.57 0.33 4.72 0.63 -0.71 -4.76 116.66 115.58 3fsf n ARG 186 Ca -0.00 -0.02 0.21 0.00 -0.92 0.00 0.00 57.85 57.12 3fsf n ARG 186 Cb 0.19 -0.96 1.14 0.00 0.45 0.00 0.00 32.46 33.28 3fsf n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 3fsf h TRP 187 N 0.00 0.00 -0.40 -0.14 6.55 -1.59 -1.73 115.95 118.64 3fsf h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3fsf h TRP 187 Cb 0.12 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 3fsf h TRP 187 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.05 3fsf n TYR 188 N -3.25 0.53 -3.08 0.49 4.02 -1.26 -4.53 117.16 110.08 3fsf n TYR 188 Ca -0.03 -0.41 -0.39 0.00 -0.01 0.00 0.00 57.90 57.06 3fsf n TYR 188 Cb 0.09 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 3fsf n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3fsf s ARG 189 N -1.06 4.44 0.38 -0.72 1.81 -0.65 -3.89 118.95 119.27 3fsf s ARG 189 Ca 0.30 1.01 -0.27 0.00 -1.72 0.00 0.00 55.73 55.05 3fsf s ARG 189 Cb 0.16 -3.26 -0.09 0.00 -0.45 0.00 0.00 34.95 31.31 3fsf s ARG 189 CO 0.22 0.58 1.34 0.00 -0.68 0.00 0.00 175.30 176.76 3fsf s ALA 190 N -1.08 3.38 0.26 2.13 0.00 -1.26 -4.79 121.76 120.39 3fsf s ALA 190 Ca 0.34 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.58 3fsf s ALA 190 Cb -0.22 -3.51 0.49 0.00 0.00 0.00 0.00 23.12 19.88 3fsf s ALA 190 CO 0.24 -0.82 1.79 -1.00 0.00 0.00 0.00 175.76 175.97 3fsf h PRO 191 N 2.92 0.73 0.00 0.00 0.13 -1.95 -0.51 132.00 133.33 3fsf h PRO 191 Ca -0.50 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 3fsf h PRO 191 Cb 1.24 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3fsf h PRO 191 CO 0.64 0.49 -0.06 1.05 -0.23 0.00 0.00 178.00 179.88 3fsf h GLU 192 N 0.76 0.00 0.02 0.86 9.09 -1.91 -2.04 114.58 121.36 3fsf h GLU 192 Ca 0.45 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.52 3fsf h GLU 192 Cb 0.52 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.57 3fsf h GLU 192 CO -0.30 0.06 -1.98 1.51 0.05 0.00 0.00 179.01 178.35 3fsf n ILE 193 N -3.63 1.58 0.02 -1.06 3.06 -0.56 -0.35 119.36 118.42 3fsf n ILE 193 Ca -0.02 -0.77 -0.01 0.00 -2.50 0.00 0.00 62.75 59.45 3fsf n ILE 193 Cb 0.17 -1.04 0.27 0.00 0.54 0.00 0.00 39.64 39.58 3fsf n ILE 193 CO 0.00 0.00 0.00 -0.03 -2.50 0.00 0.00 176.55 174.02 3fsf h MET 194 N 0.01 0.46 -0.24 9.51 4.05 -0.64 -2.96 114.93 125.12 3fsf h MET 194 Ca -0.40 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 3fsf h MET 194 Cb 2.07 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.82 3fsf h MET 194 CO 0.06 0.58 0.00 1.28 0.23 0.00 0.00 176.91 179.06 3fsf n LEU 195 N -4.21 3.31 -3.94 3.39 4.77 -0.81 -4.99 117.00 114.51 3fsf n LEU 195 Ca 0.00 -2.65 -0.27 0.00 -0.03 0.00 0.00 56.01 53.06 3fsf n LEU 195 Cb 0.31 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3fsf n LEU 195 CO 0.40 0.68 -0.11 0.59 -1.33 0.00 0.00 177.39 177.62 3fsf n ASN 196 N -0.30 -1.75 0.21 -1.43 3.02 -1.12 -4.87 115.26 109.03 3fsf n ASN 196 Ca 0.16 -0.93 0.06 0.00 -0.03 0.00 0.00 54.58 53.84 3fsf n ASN 196 Cb 0.68 -3.35 0.46 0.00 -0.61 0.00 0.00 39.78 36.97 3fsf n ASN 196 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 3fsf h TRP 197 N -1.83 0.00 -2.15 3.10 6.55 -0.95 -3.44 115.95 117.23 3fsf h TRP 197 Ca -0.61 0.00 0.26 0.00 0.95 0.00 0.00 58.89 59.49 3fsf h TRP 197 Cb 1.37 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 29.62 3fsf h TRP 197 CO 0.52 0.29 0.73 0.00 -1.05 0.00 0.00 178.44 178.93 3fsf n MET 198 N -3.91 0.27 -2.27 0.49 0.00 -1.25 -2.31 117.12 108.14 3fsf n MET 198 Ca -0.02 -0.86 -0.42 0.00 0.00 0.00 0.00 57.70 56.40 3fsf n MET 198 Cb 0.36 1.31 -0.03 0.00 0.00 0.00 0.00 33.22 34.87 3fsf n MET 198 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3fsf s HIS 199 N -2.24 2.68 0.30 3.17 2.46 -1.26 -4.87 115.29 115.53 3fsf s HIS 199 Ca 0.25 0.78 0.04 0.00 0.47 0.00 0.00 55.06 56.60 3fsf s HIS 199 Cb -0.01 -3.64 -0.02 0.00 -0.13 0.00 0.00 32.58 28.78 3fsf s HIS 199 CO 0.01 -2.38 0.46 1.52 -2.47 0.00 0.00 174.74 171.88 3fsf s TYR 200 N 3.18 3.38 0.13 3.88 -0.85 -1.26 -5.12 117.35 120.69 3fsf s TYR 200 Ca 0.62 0.06 0.01 0.00 -0.52 0.00 0.00 57.07 57.24 3fsf s TYR 200 Cb -0.27 -1.80 0.01 0.00 0.38 0.00 0.00 41.96 40.28 3fsf s TYR 200 CO 0.22 0.20 0.10 0.27 -1.52 0.00 0.00 175.55 174.82 3fsf n ASN 201 N -1.61 1.40 0.18 -0.18 6.94 -1.26 -5.01 115.26 115.72 3fsf n ASN 201 Ca -0.05 -1.44 0.14 0.00 -0.02 0.00 0.00 54.58 53.20 3fsf n ASN 201 Cb 0.57 -0.01 0.54 0.00 -2.36 0.00 0.00 39.78 38.53 3fsf n ASN 201 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 3fsf h GLN 202 N 0.00 0.00 0.00 -3.83 3.07 -1.98 -2.70 115.11 109.68 3fsf h GLN 202 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 3fsf h GLN 202 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 3fsf h GLN 202 CO 0.13 0.00 0.00 0.25 0.09 0.00 0.00 178.83 179.30 3fsf n THR 203 N -2.54 0.00 0.07 1.86 -2.24 -1.26 -1.44 114.28 108.73 3fsf n THR 203 Ca 0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3fsf n THR 203 Cb 0.27 -0.54 0.28 0.00 -2.10 0.00 0.00 70.33 68.24 3fsf n THR 203 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3fsf h VAL 204 N 0.00 1.24 -0.17 2.28 3.04 -1.86 -2.44 116.25 118.35 3fsf h VAL 204 Ca 0.00 -1.14 -0.11 0.00 -1.01 0.00 0.00 66.70 64.44 3fsf h VAL 204 Cb 0.00 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 3fsf h VAL 204 CO 0.00 0.35 -0.37 0.44 -1.01 0.00 0.00 177.57 176.99 3fsf h ASP 205 N 0.30 0.37 -0.47 3.17 3.32 -1.49 -2.75 116.42 118.87 3fsf h ASP 205 Ca 0.05 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 3fsf h ASP 205 Cb 0.59 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3fsf h ASP 205 CO 0.04 0.71 -0.21 0.40 -1.72 0.00 0.00 179.24 178.47 3fsf h ILE 206 N 0.30 1.27 -0.56 0.35 1.08 -1.58 -0.22 117.51 118.15 3fsf h ILE 206 Ca 0.03 -1.37 0.06 0.00 -0.39 0.00 0.00 64.86 63.19 3fsf h ILE 206 Cb 0.79 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 35.64 3fsf h ILE 206 CO 0.06 0.47 0.27 -0.25 -0.69 0.00 0.00 178.15 178.01 3fsf h TRP 207 N 0.82 0.48 -0.47 1.37 2.91 -1.25 -0.47 115.95 119.34 3fsf h TRP 207 Ca 0.11 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.19 3fsf h TRP 207 Cb 0.79 -0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 29.27 3fsf h TRP 207 CO 0.05 0.20 0.25 0.77 -1.03 0.00 0.00 178.44 178.69 3fsf h SER 208 N 0.50 0.37 -0.95 2.65 0.02 -1.17 -1.56 113.55 113.42 3fsf h SER 208 Ca 0.26 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.27 3fsf h SER 208 Cb 0.21 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 3fsf h SER 208 CO -0.20 0.26 0.62 0.58 -1.14 0.00 0.00 176.83 176.94 3fsf h VAL 209 N 0.49 1.16 -0.87 2.27 2.07 -0.02 -0.52 116.25 120.84 3fsf h VAL 209 Ca 0.20 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3fsf h VAL 209 Cb 0.08 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.68 3fsf h VAL 209 CO -0.13 0.22 0.44 1.23 0.02 0.00 0.00 177.57 179.35 3fsf h GLY 210 N 1.19 1.33 0.99 2.17 0.00 -0.24 0.19 103.07 108.69 3fsf h GLY 210 Ca 0.38 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 3fsf h GLY 210 CO -0.12 0.61 0.20 0.00 0.00 0.00 0.00 176.54 177.22 3fsf h ILE 212 N 0.78 1.25 -0.52 0.00 2.04 -0.69 -2.55 117.51 117.82 3fsf h ILE 212 Ca 0.18 -0.75 0.07 0.00 1.00 0.00 0.00 64.86 65.37 3fsf h ILE 212 Cb 0.24 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 3fsf h ILE 212 CO -0.01 0.20 0.19 -0.03 0.00 0.00 0.00 178.15 178.50 3fsf h MET 213 N -0.22 0.36 -0.74 2.37 4.05 -0.54 -1.16 114.93 119.06 3fsf h MET 213 Ca 0.01 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.42 3fsf h MET 213 Cb 0.32 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 3fsf h MET 213 CO 0.00 0.24 0.49 0.00 0.23 0.00 0.00 176.91 177.87 3fsf h ALA 214 N 1.35 0.94 -0.47 0.39 0.00 -1.25 -1.65 119.26 118.57 3fsf h ALA 214 Ca 0.25 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3fsf h ALA 214 Cb 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3fsf h ALA 214 CO -0.25 0.35 0.04 1.49 0.00 0.00 0.00 179.25 180.88 3fsf h GLU 215 N 1.00 0.75 -0.05 0.00 4.81 -0.93 -0.51 114.58 119.65 3fsf h GLU 215 Ca 0.27 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 3fsf h GLU 215 Cb -0.11 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3fsf h GLU 215 CO -0.06 0.73 -0.42 -0.07 -0.73 0.00 0.00 179.01 178.46 3fsf h LEU 216 N 0.71 0.12 -0.08 1.64 3.38 -0.72 0.37 115.31 120.73 3fsf h LEU 216 Ca 0.15 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 3fsf h LEU 216 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3fsf h LEU 216 CO 0.01 0.53 -1.04 -0.07 0.09 0.00 0.00 178.44 177.96 3fsf h LEU 217 N 0.10 0.30 0.00 1.67 3.38 -0.56 -0.42 115.31 119.78 3fsf h LEU 217 Ca 0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3fsf h LEU 217 Cb 0.78 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3fsf h LEU 217 CO 0.06 1.16 -1.55 0.35 0.09 0.00 0.00 178.44 178.55 3fsf n THR 218 N -3.57 0.00 -1.00 0.22 -2.24 -0.27 -4.57 114.28 102.85 3fsf n THR 218 Ca -0.05 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3fsf n THR 218 Cb 0.91 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3fsf n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fsf n GLY 219 N 1.62 0.73 3.22 3.38 0.00 0.13 -4.56 105.19 109.71 3fsf n GLY 219 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3fsf n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fsf s ARG 220 N -0.01 1.37 0.27 1.61 1.81 -1.21 -3.89 118.95 118.90 3fsf s ARG 220 Ca 0.00 -0.85 -0.31 0.00 -1.72 0.00 0.00 55.73 52.85 3fsf s ARG 220 Cb 0.00 -1.43 -0.12 0.00 -0.45 0.00 0.00 34.95 32.95 3fsf s ARG 220 CO 0.00 0.37 1.61 2.41 -0.68 0.00 0.00 175.30 179.02 3fsf n THR 221 N 2.05 0.80 0.10 0.02 -1.04 -1.26 -4.00 114.28 110.95 3fsf n THR 221 Ca -0.17 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.05 61.52 3fsf n THR 221 Cb 0.53 -1.94 -0.08 0.00 -1.82 0.00 0.00 70.33 67.03 3fsf n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3fsf h LEU 222 N 5.18 -0.23 -6.27 -4.42 6.46 -1.92 -3.39 115.31 110.72 3fsf h LEU 222 Ca -0.46 -0.27 -0.59 0.00 -0.12 0.00 0.00 57.88 56.44 3fsf h LEU 222 Cb 1.22 0.06 -0.41 0.00 -0.73 0.00 0.00 40.66 40.80 3fsf h LEU 222 CO 0.83 0.19 -0.78 0.49 -0.62 0.00 0.00 178.44 178.55 3fsf n PHE 223 N -5.03 2.02 -1.42 1.25 3.01 -1.26 -5.00 117.46 111.02 3fsf n PHE 223 Ca -0.09 -3.93 -0.40 0.00 1.01 0.00 0.00 57.45 54.05 3fsf n PHE 223 Cb 0.25 -0.44 -0.02 0.00 -0.01 0.00 0.00 39.48 39.27 3fsf n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3fsf n PRO 224 N 1.33 2.71 -2.08 -1.08 -0.04 -1.26 -4.67 135.00 129.91 3fsf n PRO 224 Ca 0.26 -2.25 -0.38 0.00 -0.04 0.00 0.00 63.50 61.10 3fsf n PRO 224 Cb 0.44 -3.02 0.01 0.00 -0.04 0.00 0.00 33.50 30.89 3fsf n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3fsf s GLY 225 N 3.34 2.83 0.00 0.55 0.00 -1.26 -4.92 107.32 107.86 3fsf s GLY 225 Ca 0.53 1.10 0.29 0.00 0.00 0.00 0.00 44.72 46.64 3fsf s GLY 225 CO -0.04 1.58 1.93 -1.30 0.00 0.00 0.00 173.10 175.28 3fsf n THR 226 N -0.62 0.00 -3.79 0.90 -2.24 -1.26 -4.18 114.28 103.09 3fsf n THR 226 Ca 0.08 -0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3fsf n THR 226 Cb 0.47 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3fsf n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3fsf s ASP 227 N -3.01 -0.05 0.21 3.42 1.47 -1.24 -2.37 116.67 115.10 3fsf s ASP 227 Ca 0.14 -0.32 -0.11 0.00 1.18 0.00 0.00 52.55 53.44 3fsf s ASP 227 Cb 0.19 0.29 0.28 0.00 -0.34 0.00 0.00 42.92 43.33 3fsf s ASP 227 CO 0.53 -0.55 1.69 0.45 0.68 0.00 0.00 175.17 177.97 3fsf h HIS 228 N 2.00 0.08 -0.18 2.11 3.86 -1.87 -0.90 115.15 120.24 3fsf h HIS 228 Ca -0.27 0.04 -0.21 0.00 -1.16 0.00 0.00 60.37 58.77 3fsf h HIS 228 Cb 1.21 0.06 0.01 0.00 1.06 0.00 0.00 27.41 29.74 3fsf h HIS 228 CO 0.84 -0.09 -0.71 0.82 0.86 0.00 0.00 177.93 179.64 3fsf h ILE 229 N 0.18 1.28 -0.71 2.45 1.08 -1.99 -1.51 117.51 118.29 3fsf h ILE 229 Ca 0.31 -1.92 -0.03 0.00 -0.39 0.00 0.00 64.86 62.83 3fsf h ILE 229 Cb 0.47 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 36.09 3fsf h ILE 229 CO -0.45 0.61 0.34 -0.78 -0.69 0.00 0.00 178.15 177.18 3fsf h ASP 230 N 0.56 0.93 -0.60 1.72 1.82 -1.91 -1.68 116.42 117.26 3fsf h ASP 230 Ca -0.03 -0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.46 3fsf h ASP 230 Cb 1.33 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 41.08 3fsf h ASP 230 CO 0.15 0.80 0.31 -0.61 -1.61 0.00 0.00 179.24 178.28 3fsf h GLN 231 N 0.99 0.85 -0.90 0.28 4.15 -1.06 -1.63 115.11 117.80 3fsf h GLN 231 Ca 0.24 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.56 3fsf h GLN 231 Cb 0.12 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 3fsf h GLN 231 CO -0.03 0.67 0.59 1.25 -1.93 0.00 0.00 178.83 179.38 3fsf h LEU 232 N 0.82 1.02 -0.65 -2.39 5.85 -0.87 -0.88 115.31 118.21 3fsf h LEU 232 Ca 0.21 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3fsf h LEU 232 Cb 0.08 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3fsf h LEU 232 CO -0.03 0.73 0.21 0.11 -0.34 0.00 0.00 178.44 179.12 3fsf h LYS 233 N 1.20 1.00 -0.70 1.25 1.57 -0.71 0.54 116.57 120.73 3fsf h LYS 233 Ca 0.33 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3fsf h LYS 233 Cb -0.12 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 3fsf h LYS 233 CO -0.08 0.88 0.42 -0.07 -0.57 0.00 0.00 179.45 180.03 3fsf h LEU 234 N 0.93 0.85 0.11 2.94 3.38 -0.67 -0.84 115.31 122.01 3fsf h LEU 234 Ca 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3fsf h LEU 234 Cb 0.29 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fsf h LEU 234 CO -0.01 0.67 -0.05 0.40 0.09 0.00 0.00 178.44 179.54 3fsf h ILE 235 N 0.96 1.04 -0.14 1.22 2.04 -0.75 -3.10 117.51 118.78 3fsf h ILE 235 Ca 0.25 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 3fsf h ILE 235 Cb -0.02 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3fsf h ILE 235 CO -0.05 0.14 -0.07 -0.07 0.00 0.00 0.00 178.15 178.11 3fsf h LEU 236 N -0.41 0.19 -1.36 1.44 3.38 -0.77 0.01 115.31 117.79 3fsf h LEU 236 Ca -0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3fsf h LEU 236 Cb 0.34 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3fsf h LEU 236 CO 0.02 0.29 0.14 -0.09 0.09 0.00 0.00 178.44 178.89 3fsf h ARG 237 N 0.20 0.58 0.04 1.13 2.43 -1.13 0.54 114.38 118.17 3fsf h ARG 237 Ca 0.05 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 3fsf h ARG 237 Cb 0.25 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3fsf h ARG 237 CO 0.01 0.50 -0.90 1.25 -1.51 0.00 0.00 179.97 179.31 3fsf h LEU 238 N 0.57 0.14 -0.36 3.80 5.85 -1.15 -3.39 115.31 120.77 3fsf h LEU 238 Ca 0.14 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3fsf h LEU 238 Cb 0.15 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3fsf h LEU 238 CO -0.01 1.38 -0.54 1.33 -0.34 0.00 0.00 178.44 180.26 3fsf n VAL 239 N -4.32 0.00 0.00 1.05 0.24 -0.13 -1.33 118.33 113.84 3fsf n VAL 239 Ca -0.22 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3fsf n VAL 239 Cb 0.69 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 3fsf n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fsf n GLY 240 N 1.44 0.38 3.80 7.63 0.00 0.19 -4.23 105.19 114.40 3fsf n GLY 240 Ca 0.08 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 3fsf n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fsf s THR 241 N -2.85 3.76 0.49 2.61 -4.23 -0.50 -4.70 115.64 110.22 3fsf s THR 241 Ca 0.00 0.97 -0.24 0.00 -1.18 0.00 0.00 61.69 61.24 3fsf s THR 241 Cb 0.00 -3.41 -0.07 0.00 1.34 0.00 0.00 72.50 70.36 3fsf s THR 241 CO 0.00 -0.36 1.39 -2.16 -0.54 0.00 0.00 174.62 172.95 3fsf s PRO 242 N -3.63 3.48 0.73 3.99 0.04 -1.26 -4.85 135.00 133.50 3fsf s PRO 242 Ca 0.66 2.33 -0.01 0.00 0.04 0.00 0.00 61.00 64.01 3fsf s PRO 242 Cb -0.17 -2.50 0.13 0.00 0.04 0.00 0.00 34.50 32.01 3fsf s PRO 242 CO 0.28 -0.95 1.01 0.20 0.04 0.00 0.00 177.00 177.58 3fsf s GLY 243 N -0.70 1.76 0.24 0.56 0.00 -1.26 -4.87 107.32 103.05 3fsf s GLY 243 Ca 0.65 -1.72 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 3fsf s GLY 243 CO 0.52 -1.14 1.75 0.00 0.00 0.00 0.00 173.10 174.23 3fsf h ALA 244 N -0.57 1.09 -0.03 3.20 0.00 -1.99 -1.58 119.26 119.37 3fsf h ALA 244 Ca -0.36 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3fsf h ALA 244 Cb 1.27 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3fsf h ALA 244 CO 0.40 -0.14 -0.14 1.49 0.00 0.00 0.00 179.25 180.87 3fsf h GLU 245 N 0.53 -0.21 -0.19 0.00 4.81 -2.01 -2.60 114.58 114.92 3fsf h GLU 245 Ca 0.41 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.48 3fsf h GLU 245 Cb 0.56 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3fsf h GLU 245 CO -0.35 -0.14 -0.59 1.25 -0.73 0.00 0.00 179.01 178.45 3fsf h LEU 246 N -0.22 0.68 -0.67 1.64 5.85 -1.87 -3.19 115.31 117.53 3fsf h LEU 246 Ca 0.06 -0.38 0.13 0.00 0.84 0.00 0.00 57.88 58.53 3fsf h LEU 246 Cb 0.29 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 3fsf h LEU 246 CO -0.15 1.12 0.16 -0.07 -0.34 0.00 0.00 178.44 179.15 3fsf h LEU 247 N 0.45 0.02 -2.34 2.25 3.38 -1.04 -0.37 115.31 117.66 3fsf h LEU 247 Ca -0.00 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3fsf h LEU 247 Cb 1.15 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 3fsf h LEU 247 CO 0.11 -0.00 0.02 0.11 0.09 0.00 0.00 178.44 178.77 3fsf h LYS 248 N 0.28 0.00 -0.00 1.13 1.57 -1.45 -1.60 116.57 116.49 3fsf h LYS 248 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3fsf h LYS 248 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3fsf h LYS 248 CO -0.45 0.00 -0.09 1.63 -0.57 0.00 0.00 179.45 179.97 3fsf n LYS 249 N -4.00 0.30 -2.78 3.15 5.02 -0.15 -4.62 118.16 115.08 3fsf n LYS 249 Ca -0.02 -0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.78 3fsf n LYS 249 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3fsf n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fsf s ILE 250 N -2.74 4.22 0.40 -0.18 1.01 -0.60 -4.80 121.20 118.51 3fsf s ILE 250 Ca 0.22 -0.42 0.12 0.00 0.00 0.00 0.00 60.65 60.57 3fsf s ILE 250 Cb 0.19 -4.78 0.33 0.00 0.01 0.00 0.00 42.46 38.22 3fsf s ILE 250 CO 0.52 -1.59 1.92 0.28 0.00 0.00 0.00 174.94 176.06 3fsf h SER 251 N 9.58 0.49 -2.85 3.58 0.02 -1.72 -3.41 113.55 119.25 3fsf h SER 251 Ca -0.18 0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.23 3fsf h SER 251 Cb 1.05 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 3fsf h SER 251 CO 1.21 0.27 1.13 -0.55 -1.14 0.00 0.00 176.83 177.75 3fsf s SER 252 N -5.97 6.32 0.35 3.07 0.15 -1.24 -4.88 113.70 111.50 3fsf s SER 252 Ca -0.09 1.44 0.07 0.00 0.70 0.00 0.00 55.95 58.07 3fsf s SER 252 Cb 0.21 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.63 3fsf s SER 252 CO 0.77 -1.33 1.86 -0.08 1.20 0.00 0.00 173.24 175.66 3fsf h GLU 253 N 10.94 0.38 -0.08 5.44 4.81 -1.97 0.28 114.58 134.37 3fsf h GLU 253 Ca -0.32 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 3fsf h GLU 253 Cb 1.14 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3fsf h GLU 253 CO 1.02 0.50 -0.26 0.66 -0.73 0.00 0.00 179.01 180.20 3fsf h SER 254 N 0.35 0.36 -0.21 1.04 4.64 -1.96 0.32 113.55 118.09 3fsf h SER 254 Ca 0.07 -0.62 0.01 0.00 -0.47 0.00 0.00 61.79 60.78 3fsf h SER 254 Cb 0.42 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3fsf h SER 254 CO 0.02 0.92 0.11 0.00 -0.87 0.00 0.00 176.83 177.01 3fsf h ALA 255 N 0.45 0.26 -0.44 5.18 0.00 -1.90 0.41 119.26 123.22 3fsf h ALA 255 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3fsf h ALA 255 Cb 0.89 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3fsf h ALA 255 CO 0.06 -0.30 0.19 -0.09 0.00 0.00 0.00 179.25 179.11 3fsf h ARG 256 N 0.24 0.38 -0.72 0.00 2.43 -0.46 -0.07 114.38 116.18 3fsf h ARG 256 Ca 0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3fsf h ARG 256 Cb 0.01 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3fsf h ARG 256 CO -0.05 0.25 0.40 -0.97 -1.51 0.00 0.00 179.97 178.09 3fsf h ASN 257 N 0.39 0.90 -0.33 -3.80 -0.73 -0.15 -2.21 115.58 109.65 3fsf h ASN 257 Ca 0.20 -0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.25 3fsf h ASN 257 Cb 0.14 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 3fsf h ASN 257 CO -0.17 0.73 0.12 0.22 -0.37 0.00 0.00 177.43 177.97 3fsf h TYR 258 N 0.99 0.51 -0.73 0.67 3.20 0.71 -2.78 116.97 119.55 3fsf h TYR 258 Ca 0.25 -0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.24 3fsf h TYR 258 Cb 0.03 -0.15 -0.11 0.00 1.54 0.00 0.00 36.73 38.04 3fsf h TYR 258 CO -0.00 0.49 0.15 0.82 -1.64 0.00 0.00 178.16 177.99 3fsf h ILE 259 N 0.38 0.50 0.00 1.81 1.08 -0.72 -0.62 117.51 119.94 3fsf h ILE 259 Ca 0.11 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 3fsf h ILE 259 Cb 0.21 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3fsf h ILE 259 CO -0.01 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.50 3fsf n GLN 260 N -5.18 0.10 0.12 2.37 6.02 -0.86 -1.79 117.38 118.16 3fsf n GLN 260 Ca 0.14 0.38 0.13 0.00 -0.01 0.00 0.00 57.00 57.64 3fsf n GLN 260 Cb 0.45 -1.70 0.35 0.00 1.02 0.00 0.00 30.24 30.36 3fsf n GLN 260 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fsf h SER 261 N 0.00 0.00 -3.84 1.08 4.64 -1.02 -3.46 113.55 110.95 3fsf h SER 261 Ca 0.00 -0.01 -0.48 0.00 -0.47 0.00 0.00 61.79 60.82 3fsf h SER 261 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3fsf h SER 261 CO 0.00 0.01 0.37 -0.76 -0.87 0.00 0.00 176.83 175.57 3fsf s LEU 262 N -4.76 4.45 0.20 5.97 1.43 -0.74 -5.00 118.68 120.22 3fsf s LEU 262 Ca 0.10 1.94 -0.31 0.00 -1.03 0.00 0.00 54.13 54.83 3fsf s LEU 262 Cb 0.11 -3.85 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 3fsf s LEU 262 CO 0.62 -0.03 1.44 -0.89 0.23 0.00 0.00 176.35 177.71 3fsf s THR 263 N -1.42 2.86 0.45 5.49 2.01 -1.26 -4.93 115.64 118.84 3fsf s THR 263 Ca 0.47 0.67 -0.24 0.00 0.31 0.00 0.00 61.69 62.90 3fsf s THR 263 Cb -0.23 -3.43 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 3fsf s THR 263 CO 0.29 0.08 1.31 -1.10 -0.69 0.00 0.00 174.62 174.51 3fsf s GLN 264 N 0.26 3.69 -0.00 4.92 -0.21 -1.26 -4.93 119.66 122.14 3fsf s GLN 264 Ca 0.62 2.14 0.01 0.00 0.02 0.00 0.00 55.36 58.16 3fsf s GLN 264 Cb -0.40 -2.56 -0.00 0.00 1.00 0.00 0.00 33.01 31.04 3fsf s GLN 264 CO 0.37 -0.71 -0.03 -1.64 -2.12 0.00 0.00 175.29 171.16 3fsf s MET 265 N -2.51 0.28 0.47 2.91 -1.94 -1.26 -4.97 119.30 112.28 3fsf s MET 265 Ca 0.62 -0.12 -0.10 0.00 -1.71 0.00 0.00 55.69 54.38 3fsf s MET 265 Cb -0.38 -0.28 -0.06 0.00 2.01 0.00 0.00 34.83 36.13 3fsf s MET 265 CO 0.47 0.07 0.84 -1.25 -0.01 0.00 0.00 175.02 175.15 3fsf s PRO 266 N -0.07 3.72 0.41 2.03 0.04 -1.26 -1.41 135.00 138.46 3fsf s PRO 266 Ca 0.01 0.52 -0.27 0.00 0.04 0.00 0.00 61.00 61.30 3fsf s PRO 266 Cb -0.02 -2.30 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 3fsf s PRO 266 CO -0.00 -0.19 1.45 0.21 0.04 0.00 0.00 177.00 178.51 3fsf s LYS 267 N -4.29 3.92 0.67 4.56 2.20 -1.26 -4.25 119.74 121.28 3fsf s LYS 267 Ca 0.52 2.49 -0.09 0.00 -0.36 0.00 0.00 55.97 58.53 3fsf s LYS 267 Cb -0.10 -2.82 0.02 0.00 -1.51 0.00 0.00 37.83 33.41 3fsf s LYS 267 CO 0.38 -0.65 1.02 -1.64 -0.36 0.00 0.00 175.35 174.09 3fsf s MET 268 N -2.25 2.80 -0.43 4.03 -1.94 -0.44 -4.91 119.30 116.15 3fsf s MET 268 Ca 0.56 0.22 -0.27 0.00 -1.71 0.00 0.00 55.69 54.49 3fsf s MET 268 Cb -0.45 -2.12 0.02 0.00 2.01 0.00 0.00 34.83 34.29 3fsf s MET 268 CO 0.60 -0.94 1.02 1.21 -0.01 0.00 0.00 175.02 176.89 3fsf s ASN 269 N -4.36 6.63 0.48 3.03 3.84 -1.26 -4.93 114.94 118.38 3fsf s ASN 269 Ca 0.57 0.45 0.13 0.00 0.21 0.00 0.00 52.86 54.22 3fsf s ASN 269 Cb -0.11 -2.50 1.13 0.00 -0.55 0.00 0.00 41.25 39.22 3fsf s ASN 269 CO 0.49 -1.07 2.11 -0.26 -2.79 0.00 0.00 177.10 175.58 3fsf h PHE 270 N 8.90 0.15 0.00 0.43 -1.00 -1.95 -1.45 116.94 122.02 3fsf h PHE 270 Ca -0.23 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.50 3fsf h PHE 270 Cb 1.07 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.57 3fsf h PHE 270 CO 0.90 0.11 -0.24 0.00 -1.61 0.00 0.00 178.31 177.47 3fsf h ALA 271 N 1.91 1.32 -0.00 2.45 0.00 -1.91 0.78 119.26 123.80 3fsf h ALA 271 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3fsf h ALA 271 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fsf h ALA 271 CO -0.01 0.30 -0.27 0.09 0.00 0.00 0.00 179.25 179.36 3fsf n ASN 272 N -3.84 0.42 -0.12 0.00 5.03 -0.56 -3.72 115.26 112.47 3fsf n ASN 272 Ca -0.02 -0.19 -0.26 0.00 0.87 0.00 0.00 54.58 54.98 3fsf n ASN 272 Cb 0.33 -0.01 -0.11 0.00 -1.02 0.00 0.00 39.78 38.97 3fsf n ASN 272 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3fsf n VAL 273 N -1.30 1.54 -2.76 2.41 0.31 -0.41 -4.51 118.33 113.61 3fsf n VAL 273 Ca 0.08 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 3fsf n VAL 273 Cb 0.33 -1.88 0.01 0.00 -0.91 0.00 0.00 33.84 31.39 3fsf n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3fsf n PHE 274 N -4.18 2.46 -1.67 3.52 3.01 0.13 -5.01 117.46 115.72 3fsf n PHE 274 Ca -0.47 -2.61 -0.46 0.00 1.01 0.00 0.00 57.45 54.92 3fsf n PHE 274 Cb 0.85 -1.36 -0.04 0.00 -0.01 0.00 0.00 39.48 38.91 3fsf n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3fsf n ILE 275 N 1.26 0.14 0.00 4.37 5.41 -1.24 -1.83 119.36 127.46 3fsf n ILE 275 Ca 0.35 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 64.08 3fsf n ILE 275 Cb 0.31 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.62 3fsf n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fsf n GLY 276 N 3.65 2.39 3.75 7.39 0.00 -1.26 -5.03 105.19 116.07 3fsf n GLY 276 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3fsf n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fsf s ALA 277 N -2.70 2.28 0.17 4.61 0.00 -0.76 -4.90 121.76 120.46 3fsf s ALA 277 Ca 0.00 0.66 -0.34 0.00 0.00 0.00 0.00 51.96 52.28 3fsf s ALA 277 Cb 0.00 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.59 3fsf s ALA 277 CO 0.00 -1.59 1.40 -1.71 0.00 0.00 0.00 175.76 173.86 3fsf n ASN 278 N -2.67 2.34 0.30 0.00 2.85 -1.26 -4.81 115.26 112.01 3fsf n ASN 278 Ca 0.11 1.12 0.15 0.00 -0.11 0.00 0.00 54.58 55.86 3fsf n ASN 278 Cb 0.51 -1.33 0.92 0.00 1.24 0.00 0.00 39.78 41.11 3fsf n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3fsf h PRO 279 N 4.66 0.00 -0.00 1.20 0.11 -1.98 -0.91 132.00 135.08 3fsf h PRO 279 Ca -0.45 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 3fsf h PRO 279 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 3fsf h PRO 279 CO 0.79 0.01 -0.82 -0.07 -0.21 0.00 0.00 178.00 177.71 3fsf h LEU 280 N 0.00 0.11 -0.24 2.35 3.38 -1.99 -1.80 115.31 117.12 3fsf h LEU 280 Ca -0.00 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 3fsf h LEU 280 Cb 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3fsf h LEU 280 CO 0.00 0.87 -0.45 0.00 0.09 0.00 0.00 178.44 178.96 3fsf h ALA 281 N 1.12 0.37 -0.45 1.53 0.00 -1.55 -1.77 119.26 118.52 3fsf h ALA 281 Ca -0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3fsf h ALA 281 Cb 1.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3fsf h ALA 281 CO 0.11 0.51 0.27 0.28 0.00 0.00 0.00 179.25 180.43 3fsf h VAL 282 N 0.44 1.14 -0.46 0.00 2.07 -1.31 -0.31 116.25 117.81 3fsf h VAL 282 Ca 0.01 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3fsf h VAL 282 Cb 1.05 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3fsf h VAL 282 CO 0.10 0.14 0.26 -0.78 0.02 0.00 0.00 177.57 177.31 3fsf h ASP 283 N 0.60 0.58 -0.54 0.57 3.58 -1.26 -2.02 116.42 117.93 3fsf h ASP 283 Ca 0.16 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 3fsf h ASP 283 Cb -0.01 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3fsf h ASP 283 CO -0.03 0.50 0.03 0.25 -2.88 0.00 0.00 179.24 177.11 3fsf h LEU 284 N 0.61 0.93 -0.74 2.28 5.85 -1.06 -2.68 115.31 120.50 3fsf h LEU 284 Ca 0.16 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3fsf h LEU 284 Cb 0.04 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3fsf h LEU 284 CO -0.03 0.97 0.47 -0.07 -0.34 0.00 0.00 178.44 179.44 3fsf h LEU 285 N 0.90 0.78 -1.59 2.25 4.07 -0.74 -0.71 115.31 120.27 3fsf h LEU 285 Ca 0.17 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.09 3fsf h LEU 285 Cb 0.48 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 3fsf h LEU 285 CO 0.02 0.54 -0.13 -0.33 -1.08 0.00 0.00 178.44 177.47 3fsf h GLU 286 N 0.93 0.10 0.00 1.13 5.08 -1.10 0.49 114.58 121.21 3fsf h GLU 286 Ca 0.29 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.51 3fsf h GLU 286 Cb -0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3fsf h GLU 286 CO -0.10 0.24 -0.63 0.87 -1.00 0.00 0.00 179.01 178.39 3fsf h LYS 287 N 0.10 0.00 0.17 2.33 1.57 -0.91 -3.31 116.57 116.51 3fsf h LYS 287 Ca 0.02 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.46 3fsf h LYS 287 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3fsf h LYS 287 CO 0.02 0.57 -1.74 0.52 -0.57 0.00 0.00 179.45 178.25 3fsf h MET 288 N 0.00 0.36 -2.56 3.15 2.86 -0.72 -2.06 114.93 115.95 3fsf h MET 288 Ca -0.01 -0.61 -0.75 0.00 -2.06 0.00 0.00 59.70 56.26 3fsf h MET 288 Cb 1.46 0.23 -0.15 0.00 0.06 0.00 0.00 31.60 33.20 3fsf h MET 288 CO 0.07 1.27 2.20 1.28 1.06 0.00 0.00 176.91 182.79 3fsf n LEU 289 N -3.55 7.95 -4.60 1.22 4.77 0.12 -4.33 117.00 118.58 3fsf n LEU 289 Ca -0.24 -4.97 -0.35 0.00 -0.03 0.00 0.00 56.01 50.42 3fsf n LEU 289 Cb 1.07 -1.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 3fsf n LEU 289 CO 0.50 2.06 -0.25 -0.69 -1.33 0.00 0.00 177.39 177.68 3fsf s VAL 290 N -1.65 4.71 0.18 4.08 1.01 -1.26 -4.88 120.40 122.59 3fsf s VAL 290 Ca 0.52 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 3fsf s VAL 290 Cb 0.19 -3.14 0.07 0.00 0.00 0.00 0.00 36.38 33.50 3fsf s VAL 290 CO -0.10 0.43 1.78 0.25 0.00 0.00 0.00 175.10 177.46 3fsf h LEU 291 N 7.02 0.34 -8.69 3.92 5.85 -1.91 -3.38 115.31 118.46 3fsf h LEU 291 Ca -0.37 0.03 -0.56 0.00 0.84 0.00 0.00 57.88 57.82 3fsf h LEU 291 Cb 1.17 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 3fsf h LEU 291 CO 0.67 0.24 1.00 -0.62 -0.34 0.00 0.00 178.44 179.40 3fsf s ASP 292 N -5.48 6.43 0.64 1.25 3.68 -1.26 -4.89 116.67 117.04 3fsf s ASP 292 Ca -0.13 0.46 0.36 0.00 2.13 0.00 0.00 52.55 55.36 3fsf s ASP 292 Cb 0.13 -2.55 1.98 0.00 -1.45 0.00 0.00 42.92 41.04 3fsf s ASP 292 CO 0.73 -1.42 2.18 0.77 0.13 0.00 0.00 175.17 177.56 3fsf h SER 293 N 9.98 0.00 0.75 -0.34 4.64 -1.97 0.84 113.55 127.45 3fsf h SER 293 Ca -0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 3fsf h SER 293 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3fsf h SER 293 CO 1.14 0.00 -0.17 0.44 -0.87 0.00 0.00 176.83 177.37 3fsf h ASP 294 N 0.00 0.00 -0.02 4.97 3.45 -1.93 -3.20 116.42 119.69 3fsf h ASP 294 Ca 0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3fsf h ASP 294 Cb 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 3fsf h ASP 294 CO -0.00 0.17 -0.42 0.29 -1.57 0.00 0.00 179.24 177.72 3fsf n LYS 295 N -3.43 1.36 -2.06 3.56 5.02 0.28 -4.98 118.16 117.92 3fsf n LYS 295 Ca -0.00 -1.08 -0.35 0.00 -2.02 0.00 0.00 58.31 54.85 3fsf n LYS 295 Cb 0.36 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3fsf n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3fsf s ARG 296 N -2.37 3.07 0.45 1.97 0.52 -1.20 -4.98 118.95 116.40 3fsf s ARG 296 Ca 0.19 1.69 -0.24 0.00 -0.52 0.00 0.00 55.73 56.86 3fsf s ARG 296 Cb 0.18 -1.96 -0.08 0.00 0.52 0.00 0.00 34.95 33.62 3fsf s ARG 296 CO 0.53 -1.10 1.20 -1.50 0.02 0.00 0.00 175.30 174.45 3fsf s ILE 297 N -1.76 2.97 0.57 1.52 2.07 -0.77 -5.03 121.20 120.76 3fsf s ILE 297 Ca 0.74 0.76 -0.01 0.00 -1.41 0.00 0.00 60.65 60.74 3fsf s ILE 297 Cb -0.27 -3.40 0.03 0.00 0.13 0.00 0.00 42.46 38.95 3fsf s ILE 297 CO 0.32 0.02 0.81 0.42 -1.91 0.00 0.00 174.94 174.61 3fsf s THR 298 N -1.46 2.90 0.16 4.00 -4.23 -1.26 -4.90 115.64 110.86 3fsf s THR 298 Ca 0.62 -0.50 -0.15 0.00 -1.18 0.00 0.00 61.69 60.47 3fsf s THR 298 Cb -0.31 -3.12 0.03 0.00 1.34 0.00 0.00 72.50 70.44 3fsf s THR 298 CO 0.38 -0.10 1.79 0.00 -0.54 0.00 0.00 174.62 176.15 3fsf h ALA 299 N -0.02 0.51 -0.24 3.99 0.00 -1.93 0.28 119.26 121.85 3fsf h ALA 299 Ca -0.43 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3fsf h ALA 299 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3fsf h ALA 299 CO 0.55 -0.13 0.15 0.00 0.00 0.00 0.00 179.25 179.83 3fsf h ALA 300 N 1.20 0.31 -0.78 0.00 0.00 -1.93 -1.51 119.26 116.55 3fsf h ALA 300 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3fsf h ALA 300 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3fsf h ALA 300 CO -0.10 -0.19 0.43 1.96 0.00 0.00 0.00 179.25 181.35 3fsf h GLN 301 N 0.31 1.09 -0.88 0.00 4.20 -1.89 -3.08 115.11 114.86 3fsf h GLN 301 Ca 0.09 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3fsf h GLN 301 Cb 0.00 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.52 3fsf h GLN 301 CO -0.02 0.80 0.47 0.00 -0.67 0.00 0.00 178.83 179.41 3fsf h ALA 302 N 1.23 1.14 -0.31 3.87 0.00 -0.47 -2.08 119.26 122.63 3fsf h ALA 302 Ca 0.28 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3fsf h ALA 302 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3fsf h ALA 302 CO -0.05 0.66 0.22 -0.07 0.00 0.00 0.00 179.25 180.02 3fsf h LEU 303 N 1.24 0.03 -0.11 0.00 3.38 -1.20 -0.19 115.31 118.47 3fsf h LEU 303 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3fsf h LEU 303 Cb 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3fsf h LEU 303 CO -0.05 0.02 -0.18 0.00 0.09 0.00 0.00 178.44 178.33 3fsf n ALA 304 N -2.59 2.83 -1.77 1.53 0.00 -0.79 -4.73 120.51 114.99 3fsf n ALA 304 Ca 0.04 -0.24 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 3fsf n ALA 304 Cb 0.37 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3fsf n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fsf s HIS 305 N -2.76 2.71 0.66 0.00 5.04 -0.08 -4.89 115.29 115.98 3fsf s HIS 305 Ca 0.20 1.37 0.37 0.00 -1.54 0.00 0.00 55.06 55.46 3fsf s HIS 305 Cb 0.19 -3.74 2.00 0.00 0.04 0.00 0.00 32.58 31.07 3fsf s HIS 305 CO 0.55 -2.33 2.12 0.00 -2.34 0.00 0.00 174.74 172.75 3fsf h ALA 306 N 2.57 1.18 -0.02 1.58 0.00 -1.91 -1.70 119.26 120.96 3fsf h ALA 306 Ca -0.50 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.42 3fsf h ALA 306 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3fsf h ALA 306 CO 0.62 -0.18 0.02 -0.92 0.00 0.00 0.00 179.25 178.79 3fsf h TYR 307 N 0.00 0.00 -0.50 0.00 3.20 -1.90 -2.48 116.97 115.29 3fsf h TYR 307 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3fsf h TYR 307 Cb 0.36 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3fsf h TYR 307 CO 0.00 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.71 3fsf n PHE 308 N -4.24 1.30 -0.37 -3.82 3.01 -0.64 -4.65 117.46 108.06 3fsf n PHE 308 Ca -0.03 -0.68 0.31 0.00 1.01 0.00 0.00 57.45 58.06 3fsf n PHE 308 Cb 0.11 -0.28 0.62 0.00 -0.01 0.00 0.00 39.48 39.92 3fsf n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fsf h ALA 309 N 3.20 2.67 0.00 4.37 0.00 -1.57 0.66 119.26 128.59 3fsf h ALA 309 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fsf h ALA 309 Cb 1.44 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3fsf h ALA 309 CO 0.24 -1.12 0.00 0.94 0.00 0.00 0.00 179.25 179.31 3fsf n GLN 310 N -4.48 0.17 0.00 0.00 7.27 -1.26 -3.98 117.38 115.10 3fsf n GLN 310 Ca 0.29 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.66 3fsf n GLN 310 Cb 1.16 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 32.03 3fsf n GLN 310 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3fsf n TYR 311 N -2.09 0.00 -1.69 3.69 4.02 0.19 -5.07 117.16 116.22 3fsf n TYR 311 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.50 3fsf n TYR 311 Cb 0.29 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.58 3fsf n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3fsf n HIS 312 N -1.20 2.59 -3.39 -0.72 -0.00 0.95 -4.98 115.22 108.47 3fsf n HIS 312 Ca 0.00 -0.05 -0.16 0.00 0.46 0.00 0.00 57.72 57.96 3fsf n HIS 312 Cb 0.15 -2.69 -0.09 0.00 -0.12 0.00 0.00 29.99 27.23 3fsf n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3fsf s ASP 313 N 2.27 1.53 0.63 0.26 3.68 -1.26 -4.98 116.67 118.81 3fsf s ASP 313 Ca 0.81 -0.69 0.29 0.00 2.13 0.00 0.00 52.55 55.09 3fsf s ASP 313 Cb -0.52 0.57 1.58 0.00 -1.45 0.00 0.00 42.92 43.09 3fsf s ASP 313 CO 0.37 -0.38 1.93 -0.65 0.13 0.00 0.00 175.17 176.57 3fsf h PRO 314 N 8.25 0.00 -0.01 4.34 0.11 -1.96 0.26 132.00 142.99 3fsf h PRO 314 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3fsf h PRO 314 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fsf h PRO 314 CO 0.33 0.00 -0.30 -0.25 -0.21 0.00 0.00 178.00 177.57 3fsf n ASP 315 N -3.26 1.07 -2.12 -2.05 10.43 -1.26 -4.16 116.55 115.20 3fsf n ASP 315 Ca 0.02 -0.90 -0.12 0.00 2.57 0.00 0.00 54.79 56.35 3fsf n ASP 315 Cb 0.47 0.18 0.05 0.00 1.84 0.00 0.00 41.12 43.66 3fsf n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3fsf n ASP 316 N -0.66 3.40 -3.21 -2.24 2.03 0.90 -4.83 116.55 111.94 3fsf n ASP 316 Ca 0.11 -3.14 -0.24 0.00 0.52 0.00 0.00 54.79 52.05 3fsf n ASP 316 Cb 0.36 -0.40 -0.07 0.00 -0.72 0.00 0.00 41.12 40.29 3fsf n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fsf n GLU 317 N -0.65 0.93 -1.11 -0.67 1.02 -1.21 -4.91 120.64 114.04 3fsf n GLU 317 Ca 0.28 -3.38 -0.32 0.00 -0.02 0.00 0.00 57.16 53.72 3fsf n GLU 317 Cb 0.90 -1.37 0.12 0.00 -0.02 0.00 0.00 31.44 31.07 3fsf n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3fsf s PRO 318 N -1.48 1.72 0.34 3.49 0.04 -1.26 -4.96 135.00 132.88 3fsf s PRO 318 Ca 0.36 1.57 0.08 0.00 0.04 0.00 0.00 61.00 63.05 3fsf s PRO 318 Cb 0.19 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 3fsf s PRO 318 CO -0.10 -2.11 0.22 0.14 0.04 0.00 0.00 177.00 175.19 3fsf s VAL 319 N -2.42 3.33 0.32 -0.36 -7.23 -1.26 -4.20 120.40 108.58 3fsf s VAL 319 Ca 0.69 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 3fsf s VAL 319 Cb -0.24 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 3fsf s VAL 319 CO 0.52 -0.18 0.53 0.00 -0.31 0.00 0.00 175.10 175.66 3fsf s ALA 320 N -2.35 3.70 0.73 1.32 0.00 -1.25 -5.02 121.76 118.89 3fsf s ALA 320 Ca 0.39 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.42 3fsf s ALA 320 Cb -0.04 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 20.97 3fsf s ALA 320 CO 0.25 0.09 1.07 -0.51 0.00 0.00 0.00 175.76 176.66 3fsf s ASP 321 N -3.74 4.98 0.45 0.00 -0.00 -1.26 -4.67 116.67 112.43 3fsf s ASP 321 Ca 0.41 1.63 -0.24 0.00 -0.00 0.00 0.00 52.55 54.35 3fsf s ASP 321 Cb -0.10 -2.44 -0.09 0.00 -0.00 0.00 0.00 42.92 40.29 3fsf s ASP 321 CO 0.34 -1.70 1.15 -2.65 -0.00 0.00 0.00 175.17 172.30 3fsf n PRO 322 N -3.30 1.59 -4.03 8.23 -0.02 -1.26 -4.71 135.00 131.50 3fsf n PRO 322 Ca 0.08 0.57 -0.31 0.00 -2.02 0.00 0.00 63.50 61.81 3fsf n PRO 322 Cb 0.54 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 3fsf n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fsf s TYR 323 N -1.27 3.32 -0.46 6.00 5.04 -1.26 -5.08 117.35 123.65 3fsf s TYR 323 Ca 0.64 -2.50 -0.29 0.00 -2.44 0.00 0.00 57.07 52.48 3fsf s TYR 323 Cb -0.51 -2.25 0.01 0.00 0.35 0.00 0.00 41.96 39.56 3fsf s TYR 323 CO 0.56 -0.90 1.36 0.34 -1.34 0.00 0.00 175.55 175.57 3fsf s ASP 324 N 1.07 6.34 -0.27 4.32 -1.08 -1.26 -4.87 116.67 120.91 3fsf s ASP 324 Ca -0.01 0.62 0.09 0.00 -0.52 0.00 0.00 52.55 52.73 3fsf s ASP 324 Cb -0.19 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.17 3fsf s ASP 324 CO -0.07 -1.47 1.29 0.00 0.52 0.00 0.00 175.17 175.44 3fsf n GLN 325 N 8.18 2.39 0.29 4.34 10.64 -1.26 -4.68 117.38 137.28 3fsf n GLN 325 Ca 0.15 -3.59 0.14 0.00 -1.83 0.00 0.00 57.00 51.87 3fsf n GLN 325 Cb 0.48 -1.92 0.89 0.00 -0.86 0.00 0.00 30.24 28.84 3fsf n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fsf h SER 326 N 1.46 0.00 -0.23 2.61 4.64 -2.03 -1.49 113.55 118.52 3fsf h SER 326 Ca 0.20 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.58 3fsf h SER 326 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 3fsf h SER 326 CO 0.41 0.00 0.18 2.19 -0.87 0.00 0.00 176.83 178.74 3fsf h PHE 327 N 0.00 0.00 -0.39 4.77 -5.15 -1.97 -0.98 116.94 113.21 3fsf h PHE 327 Ca -0.00 0.00 0.11 0.00 -0.20 0.00 0.00 57.97 57.88 3fsf h PHE 327 Cb 0.01 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.16 3fsf h PHE 327 CO 0.00 0.00 0.29 0.93 -2.00 0.00 0.00 178.31 177.53 3fsf h GLU 328 N 0.00 0.00 -0.08 6.09 4.39 -1.66 0.18 114.58 123.50 3fsf h GLU 328 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3fsf h GLU 328 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3fsf h GLU 328 CO -0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 3fsf n SER 329 N -4.37 0.89 -4.84 1.42 3.41 -0.37 -4.89 113.62 104.86 3fsf n SER 329 Ca 0.06 -1.55 -0.36 0.00 -0.26 0.00 0.00 58.87 56.77 3fsf n SER 329 Cb 0.48 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 3fsf n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3fsf s ARG 330 N -1.90 3.32 -0.58 4.33 0.52 0.05 -5.07 118.95 119.63 3fsf s ARG 330 Ca 0.31 -0.24 -0.04 0.00 -0.52 0.00 0.00 55.73 55.24 3fsf s ARG 330 Cb 0.16 -3.07 0.15 0.00 0.52 0.00 0.00 34.95 32.70 3fsf s ARG 330 CO 0.25 0.74 0.41 -0.51 0.02 0.00 0.00 175.30 176.20 3fsf s ASP 331 N -1.20 5.42 0.38 0.23 1.01 -1.26 -5.06 116.67 116.19 3fsf s ASP 331 Ca 0.17 -2.56 0.08 0.00 0.71 0.00 0.00 52.55 50.95 3fsf s ASP 331 Cb -0.12 -1.90 -0.03 0.00 1.01 0.00 0.00 42.92 41.88 3fsf s ASP 331 CO 0.07 -0.46 0.28 -0.76 0.21 0.00 0.00 175.17 174.51 3fsf s LEU 332 N 0.38 3.37 0.70 1.23 1.43 -1.26 -5.13 118.68 119.41 3fsf s LEU 332 Ca 0.14 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 3fsf s LEU 332 Cb -0.21 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.09 3fsf s LEU 332 CO -0.04 -0.50 1.09 -0.76 0.23 0.00 0.00 176.35 176.38 3fsf s LEU 333 N -4.01 2.91 0.17 1.79 1.43 -1.26 -4.87 118.68 114.85 3fsf s LEU 333 Ca 0.43 1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 54.53 3fsf s LEU 333 Cb -0.03 -3.95 0.13 0.00 0.03 0.00 0.00 46.19 42.38 3fsf s LEU 333 CO 0.26 -1.32 1.72 0.40 0.23 0.00 0.00 176.35 177.64 3fsf h ILE 334 N -0.64 0.77 -0.29 -0.59 2.04 -1.93 -1.03 117.51 115.85 3fsf h ILE 334 Ca -0.45 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.38 3fsf h ILE 334 Cb 1.25 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3fsf h ILE 334 CO 0.64 0.04 0.20 0.44 0.00 0.00 0.00 178.15 179.46 3fsf h ASP 335 N 0.22 0.17 -0.02 1.72 3.45 -1.96 0.18 116.42 120.17 3fsf h ASP 335 Ca 0.21 -0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.56 3fsf h ASP 335 Cb 0.26 -0.04 0.01 0.00 -0.56 0.00 0.00 39.33 39.00 3fsf h ASP 335 CO -0.28 0.12 -0.42 -0.33 -1.57 0.00 0.00 179.24 176.76 3fsf h GLU 336 N 0.20 0.33 -0.78 3.56 5.08 -1.60 -0.64 114.58 120.73 3fsf h GLU 336 Ca 0.12 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3fsf h GLU 336 Cb 0.25 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3fsf h GLU 336 CO -0.02 1.00 0.35 -1.49 -1.00 0.00 0.00 179.01 177.85 3fsf h TRP 337 N -0.22 1.14 -0.50 4.33 -0.00 -0.81 -1.20 115.95 118.70 3fsf h TRP 337 Ca -0.05 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.76 3fsf h TRP 337 Cb 1.13 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.16 29.92 3fsf h TRP 337 CO 0.15 0.84 0.22 -0.22 -0.00 0.00 0.00 178.44 179.43 3fsf h LYS 338 N 1.12 0.73 -0.41 0.49 3.64 -0.64 0.14 116.57 121.64 3fsf h LYS 338 Ca 0.27 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 3fsf h LYS 338 Cb 0.15 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3fsf h LYS 338 CO -0.03 0.63 -0.19 1.03 -2.27 0.00 0.00 179.45 178.63 3fsf h SER 339 N 0.66 0.79 -0.52 4.20 0.87 -0.69 -0.67 113.55 118.20 3fsf h SER 339 Ca 0.17 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.38 3fsf h SER 339 Cb 0.16 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3fsf h SER 339 CO -0.02 0.97 0.03 -0.07 -0.53 0.00 0.00 176.83 177.21 3fsf h LEU 340 N 0.70 0.87 -0.24 2.23 3.38 -0.92 -1.84 115.31 119.50 3fsf h LEU 340 Ca 0.10 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3fsf h LEU 340 Cb 0.69 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3fsf h LEU 340 CO 0.05 0.95 0.15 0.74 0.09 0.00 0.00 178.44 180.42 3fsf h THR 341 N 0.77 1.05 -0.58 0.22 2.02 -0.34 -2.18 112.91 113.86 3fsf h THR 341 Ca 0.15 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 67.31 3fsf h THR 341 Cb 0.48 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.54 3fsf h THR 341 CO 0.02 0.06 0.24 0.22 0.37 0.00 0.00 175.52 176.42 3fsf h TYR 342 N 0.31 0.42 -0.88 3.16 3.20 -0.96 0.35 116.97 122.57 3fsf h TYR 342 Ca 0.09 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3fsf h TYR 342 Cb -0.02 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 3fsf h TYR 342 CO -0.07 0.14 0.57 -0.44 -1.64 0.00 0.00 178.16 176.72 3fsf h ASP 343 N 0.43 0.94 -0.49 -2.11 3.32 -1.04 -0.62 116.42 116.86 3fsf h ASP 343 Ca 0.28 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 3fsf h ASP 343 Cb 0.31 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3fsf h ASP 343 CO -0.26 0.65 0.04 -0.33 -1.72 0.00 0.00 179.24 177.61 3fsf h GLU 344 N 1.10 0.90 0.09 3.56 4.39 -0.55 -1.32 114.58 122.76 3fsf h GLU 344 Ca 0.35 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 3fsf h GLU 344 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3fsf h GLU 344 CO -0.12 0.87 -0.04 0.28 -1.16 0.00 0.00 179.01 178.84 3fsf h VAL 345 N 0.84 1.01 0.00 3.13 2.07 0.20 -2.96 116.25 120.54 3fsf h VAL 345 Ca 0.16 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3fsf h VAL 345 Cb 0.44 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3fsf h VAL 345 CO 0.02 0.09 -0.17 0.16 0.02 0.00 0.00 177.57 177.69 3fsf h ILE 346 N -0.30 0.39 -0.01 4.57 3.07 -1.07 -2.82 117.51 121.35 3fsf h ILE 346 Ca -0.01 -1.08 0.00 0.00 1.55 0.00 0.00 64.86 65.32 3fsf h ILE 346 Cb 0.25 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 3fsf h ILE 346 CO 0.02 0.17 -0.05 -1.54 -1.05 0.00 0.00 178.15 175.70 3fsf n SER 347 N -3.27 0.69 -4.76 2.16 3.41 -0.51 -4.92 113.62 106.42 3fsf n SER 347 Ca 0.01 -1.01 -0.41 0.00 -0.26 0.00 0.00 58.87 57.20 3fsf n SER 347 Cb 0.44 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 3fsf n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3fsf s PHE 348 N -2.19 2.70 -0.13 7.33 5.36 -1.07 -5.00 117.98 124.98 3fsf s PHE 348 Ca 0.37 1.00 -0.00 0.00 -0.96 0.00 0.00 56.93 57.34 3fsf s PHE 348 Cb 0.21 -4.02 0.02 0.00 -0.34 0.00 0.00 43.02 38.89 3fsf s PHE 348 CO 0.40 -3.20 -0.10 0.08 -1.46 0.00 0.00 175.22 170.94 3fsf s VAL 349 N -0.58 1.26 0.69 3.12 1.01 -1.26 -5.08 120.40 119.55 3fsf s VAL 349 Ca 0.57 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 3fsf s VAL 349 Cb -0.47 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3fsf s VAL 349 CO 0.55 0.41 1.22 -2.16 0.00 0.00 0.00 175.10 175.12 3fsf s PRO 350 N 1.59 2.40 0.74 2.72 0.04 -1.26 -5.01 135.00 136.22 3fsf s PRO 350 Ca 0.04 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 3fsf s PRO 350 Cb -0.13 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.59 3fsf s PRO 350 CO -0.09 -1.65 1.08 -1.25 0.04 0.00 0.00 177.00 175.12 3fsf s PRO 351 N -3.70 2.53 0.00 0.56 0.04 -1.26 -5.16 135.00 128.00 3fsf s PRO 351 Ca 0.76 0.91 0.07 0.00 0.04 0.00 0.00 61.00 62.78 3fsf s PRO 351 Cb -0.31 -1.95 0.40 0.00 0.04 0.00 0.00 34.50 32.68 3fsf s PRO 351 CO 0.42 -1.38 0.86 -2.30 0.04 0.00 0.00 177.00 174.64