#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umf n ASN 2 N 0.00 5.11 -4.12 6.12 6.94 -1.26 -4.90 115.26 123.15 1umf n ASN 2 Ca 0.00 -2.85 -0.27 0.00 -0.02 0.00 0.00 54.58 51.44 1umf n ASN 2 Cb 0.00 -0.67 -0.16 0.00 -2.36 0.00 0.00 39.78 36.58 1umf n ASN 2 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1umf s THR 3 N -2.58 1.50 -0.11 5.53 2.01 -1.26 -0.72 115.64 120.00 1umf s THR 3 Ca 0.48 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1umf s THR 3 Cb 0.37 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1umf s THR 3 CO 0.14 0.43 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.14 1umf s LEU 4 N 0.28 2.66 0.00 4.42 2.96 0.13 -4.94 118.68 124.20 1umf s LEU 4 Ca -0.10 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1umf s LEU 4 Cb -0.14 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 44.97 1umf s LEU 4 CO 0.04 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.88 1umf n GLY 5 N 3.30 2.55 0.27 7.98 0.00 -1.26 0.24 105.19 118.26 1umf n GLY 5 Ca -0.18 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.79 1umf n GLY 5 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1umf n ARG 6 N 1.09 0.46 -0.12 1.61 3.00 -1.26 -4.69 116.66 116.76 1umf n ARG 6 Ca 0.00 0.19 -0.24 0.00 -0.00 0.00 0.00 57.85 57.80 1umf n ARG 6 Cb 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 32.46 31.08 1umf n ARG 6 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1umf n PHE 7 N -4.16 0.00 -2.95 -0.14 0.99 -1.26 -4.73 117.46 105.20 1umf n PHE 7 Ca -0.29 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 56.73 1umf n PHE 7 Cb 0.63 -0.85 -0.04 0.00 -1.00 0.00 0.00 39.48 38.22 1umf n PHE 7 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1umf s LEU 8 N -7.53 4.63 -0.25 4.37 2.96 -1.26 -4.12 118.68 117.48 1umf s LEU 8 Ca -0.35 -0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 52.57 1umf s LEU 8 Cb 0.12 -2.48 -0.00 0.00 0.50 0.00 0.00 46.19 44.33 1umf s LEU 8 CO 0.45 -1.25 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.10 1umf s ARG 9 N 3.53 3.24 -0.30 1.98 0.52 0.61 -4.25 118.95 124.28 1umf s ARG 9 Ca 0.20 -0.73 -0.14 0.00 -0.52 0.00 0.00 55.73 54.55 1umf s ARG 9 Cb -0.18 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 1umf s ARG 9 CO 0.11 -0.29 0.32 -1.17 0.02 0.00 0.00 175.30 174.29 1umf s LEU 10 N 1.47 4.21 -0.09 2.53 2.96 0.14 -0.75 118.68 129.15 1umf s LEU 10 Ca 0.04 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1umf s LEU 10 Cb -0.15 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 1umf s LEU 10 CO -0.01 -0.21 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.76 1umf s THR 11 N 1.96 2.89 0.15 3.68 2.01 -0.59 0.23 115.64 125.96 1umf s THR 11 Ca 0.11 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.43 1umf s THR 11 Cb -0.16 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1umf s THR 11 CO 0.11 0.56 -0.02 0.28 -0.69 0.00 0.00 174.62 174.86 1umf s THR 12 N -0.12 3.70 -1.09 -0.82 -1.32 0.10 -1.54 115.64 114.55 1umf s THR 12 Ca -0.02 -1.34 0.20 0.00 -1.21 0.00 0.00 61.69 59.32 1umf s THR 12 Cb -0.14 -2.82 0.20 0.00 -1.51 0.00 0.00 72.50 68.23 1umf s THR 12 CO 0.04 -0.04 1.63 0.49 -2.21 0.00 0.00 174.62 174.53 1umf n PHE 13 N 0.12 0.00 -1.47 9.09 3.01 -0.61 -4.90 117.46 122.70 1umf n PHE 13 Ca -0.10 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.41 1umf n PHE 13 Cb 0.54 -0.46 -0.01 0.00 -0.01 0.00 0.00 39.48 39.54 1umf n PHE 13 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1umf n GLY 14 N 0.50 -2.03 3.58 1.37 0.00 -1.26 -4.86 105.19 102.49 1umf n GLY 14 Ca 0.06 -1.37 -0.54 0.00 0.00 0.00 0.00 46.02 44.17 1umf n GLY 14 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1umf n GLU 15 N -1.78 0.94 -3.62 1.61 0.00 -1.26 -4.95 120.64 111.58 1umf n GLU 15 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 57.16 57.38 1umf n GLU 15 Cb 0.17 -1.96 -0.07 0.00 0.00 0.00 0.00 31.44 29.59 1umf n GLU 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1umf s SER 16 N 0.60 -0.56 -0.33 -1.84 1.04 -1.26 -5.06 113.70 106.29 1umf s SER 16 Ca 0.87 1.01 0.08 0.00 0.48 0.00 0.00 55.95 58.38 1umf s SER 16 Cb -1.02 0.99 0.52 0.00 0.10 0.00 0.00 66.02 66.61 1umf s SER 16 CO 0.50 -0.24 1.51 0.00 0.98 0.00 0.00 173.24 175.99 1umf n HIS 17 N 2.11 1.48 -2.78 5.02 1.44 -1.26 -5.02 115.22 116.21 1umf n HIS 17 Ca -0.13 -1.76 -0.21 0.00 -2.01 0.00 0.00 57.72 53.61 1umf n HIS 17 Cb 0.56 -0.57 0.10 0.00 0.12 0.00 0.00 29.99 30.19 1umf n HIS 17 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1umf n GLY 18 N -1.09 1.17 0.00 -1.39 0.00 -1.26 -4.98 105.19 97.64 1umf n GLY 18 Ca 0.38 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.40 1umf n GLY 18 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1umf n ASP 19 N -2.68 0.00 -3.80 1.61 5.75 -1.26 -4.77 116.55 111.40 1umf n ASP 19 Ca 0.16 -1.02 -0.13 0.00 -0.01 0.00 0.00 54.79 53.79 1umf n ASP 19 Cb 0.58 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.55 1umf n ASP 19 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1umf s VAL 20 N -2.00 -0.00 0.01 2.12 1.01 -1.26 -3.02 120.40 117.25 1umf s VAL 20 Ca 0.33 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1umf s VAL 20 Cb 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1umf s VAL 20 CO 0.25 0.00 -0.16 -0.51 0.00 0.00 0.00 175.10 174.69 1umf s ILE 21 N 0.18 1.28 0.19 2.22 1.10 -0.97 -4.96 121.20 120.25 1umf s ILE 21 Ca -0.01 -0.85 0.04 0.00 -0.51 0.00 0.00 60.65 59.32 1umf s ILE 21 Cb -0.02 -1.10 -0.05 0.00 0.15 0.00 0.00 42.46 41.44 1umf s ILE 21 CO -0.00 0.24 -0.04 -0.83 -2.11 0.00 0.00 174.94 172.20 1umf s GLY 22 N -0.71 1.33 0.25 1.50 0.00 -1.26 -0.12 107.32 108.31 1umf s GLY 22 Ca 0.05 -1.64 -0.17 0.00 0.00 0.00 0.00 44.72 42.96 1umf s GLY 22 CO 0.00 -1.62 0.57 -0.32 0.00 0.00 0.00 173.10 171.74 1umf s GLY 23 N -3.24 0.17 -0.10 0.20 0.00 -0.45 -1.57 107.32 102.33 1umf s GLY 23 Ca 0.24 -0.53 -0.05 0.00 0.00 0.00 0.00 44.72 44.38 1umf s GLY 23 CO 0.05 -0.36 0.24 0.54 0.00 0.00 0.00 173.10 173.57 1umf s VAL 24 N -3.95 -0.10 -0.34 1.40 0.11 -0.59 -0.89 120.40 116.04 1umf s VAL 24 Ca 0.15 0.17 -0.10 0.00 -2.93 0.00 0.00 61.98 59.27 1umf s VAL 24 Cb -0.03 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1umf s VAL 24 CO 0.06 0.07 0.18 -0.22 -3.33 0.00 0.00 175.10 171.86 1umf s LEU 25 N 1.44 4.42 0.00 2.54 2.96 -0.26 -1.54 118.68 128.25 1umf s LEU 25 Ca -0.08 -0.75 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1umf s LEU 25 Cb -0.11 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1umf s LEU 25 CO -0.08 -0.29 0.08 -0.62 -1.32 0.00 0.00 176.35 174.11 1umf s ASP 26 N 1.59 5.64 0.00 3.68 2.15 0.07 -0.93 116.67 128.87 1umf s ASP 26 Ca 0.03 0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.14 1umf s ASP 26 Cb -0.18 -1.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 1umf s ASP 26 CO 0.07 0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.94 1umf n GLY 27 N 1.12 0.68 3.71 2.66 0.00 -1.26 -0.29 105.19 111.81 1umf n GLY 27 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1umf n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1umf s MET 28 N -0.94 4.39 0.77 1.61 -1.94 -1.26 -4.69 119.30 117.23 1umf s MET 28 Ca 0.00 1.85 -0.13 0.00 -1.71 0.00 0.00 55.69 55.70 1umf s MET 28 Cb 0.00 -3.37 0.06 0.00 2.01 0.00 0.00 34.83 33.53 1umf s MET 28 CO 0.00 -0.35 1.16 -2.14 -0.01 0.00 0.00 175.02 173.68 1umf s PRO 29 N 1.32 1.97 0.55 2.03 0.02 -1.26 -4.01 135.00 135.61 1umf s PRO 29 Ca 0.60 1.56 -0.06 0.00 0.02 0.00 0.00 61.00 63.12 1umf s PRO 29 Cb -0.31 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 1umf s PRO 29 CO 0.28 -1.92 0.86 -1.54 -0.33 0.00 0.00 177.00 174.35 1umf s SER 30 N -2.50 5.91 0.00 2.53 1.04 -1.26 -4.28 113.70 115.14 1umf s SER 30 Ca 0.69 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.96 1umf s SER 30 Cb -0.24 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1umf s SER 30 CO 0.50 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1umf n GLY 31 N -2.46 0.74 3.61 7.32 0.00 -0.80 -4.93 105.19 108.66 1umf n GLY 31 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1umf n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1umf s ILE 32 N -2.44 5.01 0.18 -0.61 1.01 -1.26 -4.86 121.20 118.23 1umf s ILE 32 Ca 0.00 0.85 -0.31 0.00 0.00 0.00 0.00 60.65 61.19 1umf s ILE 32 Cb 0.00 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 1umf s ILE 32 CO 0.00 -0.02 1.55 -0.75 0.00 0.00 0.00 174.94 175.71 1umf s LYS 33 N 2.44 4.22 -0.42 2.79 2.20 -1.26 -1.23 119.74 128.48 1umf s LYS 33 Ca 0.23 2.36 -0.26 0.00 -0.36 0.00 0.00 55.97 57.93 1umf s LYS 33 Cb -0.15 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 33.05 1umf s LYS 33 CO 0.10 -0.58 0.97 0.42 -0.36 0.00 0.00 175.35 175.90 1umf s ILE 34 N 0.92 4.48 -1.12 5.43 -1.09 0.72 -4.93 121.20 125.61 1umf s ILE 34 Ca 0.68 1.05 -0.18 0.00 -2.23 0.00 0.00 60.65 59.97 1umf s ILE 34 Cb -0.44 -4.42 0.11 0.00 -1.58 0.00 0.00 42.46 36.14 1umf s ILE 34 CO 0.34 -0.73 1.43 -0.62 -1.23 0.00 0.00 174.94 174.13 1umf s ASP 35 N 2.11 6.79 0.37 3.58 -1.08 -1.26 -4.84 116.67 122.33 1umf s ASP 35 Ca 0.40 -2.31 0.09 0.00 -0.52 0.00 0.00 52.55 50.21 1umf s ASP 35 Cb -0.10 -2.47 0.83 0.00 -1.46 0.00 0.00 42.92 39.71 1umf s ASP 35 CO 0.24 -1.08 1.90 1.88 0.52 0.00 0.00 175.17 178.62 1umf h TYR 36 N 8.22 0.76 -0.70 -5.34 0.05 -1.98 -1.75 116.97 116.23 1umf h TYR 36 Ca 0.28 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.06 1umf h TYR 36 Cb 0.94 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.41 1umf h TYR 36 CO 1.23 0.31 0.33 0.00 -1.05 0.00 0.00 178.16 178.98 1umf h ALA 37 N 1.60 0.91 0.02 3.88 0.00 -1.99 -0.38 119.26 123.30 1umf h ALA 37 Ca 0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1umf h ALA 37 Cb 0.63 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1umf h ALA 37 CO -0.17 0.47 -0.01 1.25 0.00 0.00 0.00 179.25 180.80 1umf h LEU 38 N 0.98 -0.02 -0.46 0.00 6.46 -1.75 0.04 115.31 120.55 1umf h LEU 38 Ca 0.24 -0.21 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1umf h LEU 38 Cb 0.13 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 1umf h LEU 38 CO -0.03 0.20 0.19 0.25 -0.62 0.00 0.00 178.44 178.42 1umf h LEU 39 N -0.23 0.22 -0.30 2.25 5.85 -1.20 0.18 115.31 122.07 1umf h LEU 39 Ca -0.00 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1umf h LEU 39 Cb 0.22 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1umf h LEU 39 CO 0.00 0.16 0.10 -0.08 -0.34 0.00 0.00 178.44 178.28 1umf h GLU 40 N 0.37 0.46 -0.80 1.25 4.81 -0.96 -1.78 114.58 117.93 1umf h GLU 40 Ca 0.22 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1umf h GLU 40 Cb 0.19 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1umf h GLU 40 CO -0.20 0.51 0.50 -0.97 -0.73 0.00 0.00 179.01 178.11 1umf h ASN 41 N 0.32 0.96 -0.45 1.04 -1.24 -0.49 -1.41 115.58 114.31 1umf h ASN 41 Ca 0.10 -0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.08 1umf h ASN 41 Cb 0.23 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 1umf h ASN 41 CO -0.00 0.73 0.25 -0.33 -1.29 0.00 0.00 177.43 176.78 1umf h GLU 42 N 1.10 0.48 -0.12 6.67 4.39 -0.41 0.71 114.58 127.39 1umf h GLU 42 Ca 0.29 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 1umf h GLU 42 Cb -0.06 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1umf h GLU 42 CO -0.06 0.32 -0.03 0.52 -1.16 0.00 0.00 179.01 178.60 1umf h MET 43 N 0.49 0.17 -0.03 2.33 2.86 -0.88 -1.93 114.93 117.93 1umf h MET 43 Ca 0.19 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1umf h MET 43 Cb 0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1umf h MET 43 CO -0.11 0.21 -0.01 -0.22 1.06 0.00 0.00 176.91 177.84 1umf h LYS 44 N 0.17 0.07 -0.34 1.72 3.64 0.03 -2.99 116.57 118.86 1umf h LYS 44 Ca 0.04 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1umf h LYS 44 Cb 0.16 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1umf h LYS 44 CO 0.01 0.45 0.23 0.00 -2.27 0.00 0.00 179.45 177.87 1umf h ARG 45 N -0.32 0.17 -0.93 1.90 3.08 -0.48 -2.04 114.38 115.76 1umf h ARG 45 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1umf h ARG 45 Cb 0.43 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 1umf h ARG 45 CO 0.00 0.11 0.59 -0.09 -1.07 0.00 0.00 179.97 179.51 1umf h ARG 46 N 0.18 1.24 -0.13 0.04 2.43 -1.21 -2.99 114.38 113.93 1umf h ARG 46 Ca 0.15 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1umf h ARG 46 Cb 0.38 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1umf h ARG 46 CO -0.02 0.84 -0.26 1.96 -1.51 0.00 0.00 179.97 180.98 1umf h GLN 47 N 1.27 0.41 -6.16 0.20 4.20 -1.36 -3.46 115.11 110.20 1umf h GLN 47 Ca 0.34 -0.26 -0.71 0.00 0.06 0.00 0.00 58.65 58.07 1umf h GLN 47 Cb -0.10 0.03 0.06 0.00 0.30 0.00 0.00 27.48 27.78 1umf h GLN 47 CO -0.07 0.86 0.18 0.41 -0.67 0.00 0.00 178.83 179.54 1umf n GLY 48 N 0.41 -0.10 0.00 3.46 0.00 -1.13 -3.92 105.19 103.91 1umf n GLY 48 Ca -0.07 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1umf n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umf n GLY 49 N 1.98 1.32 3.15 -0.02 0.00 -1.26 -4.50 105.19 105.85 1umf n GLY 49 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 1umf n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1umf s ARG 50 N 0.00 0.28 -0.86 1.61 3.52 -1.25 -4.81 118.95 117.43 1umf s ARG 50 Ca 0.00 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.93 1umf s ARG 50 Cb 0.00 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 1umf s ARG 50 CO 0.00 -0.46 0.00 0.09 -0.81 0.00 0.00 175.30 174.12 1umf n ASN 51 N 5.27 -4.03 -3.19 -2.12 3.02 -1.26 -4.95 115.26 108.00 1umf n ASN 51 Ca 0.05 0.20 -0.21 0.00 -0.03 0.00 0.00 54.58 54.58 1umf n ASN 51 Cb 0.56 -2.25 -0.05 0.00 -0.61 0.00 0.00 39.78 37.43 1umf n ASN 51 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1umf n VAL 52 N -2.75 -0.40 -3.33 2.41 0.24 -1.26 -4.90 118.33 108.34 1umf n VAL 52 Ca -0.08 -4.29 -0.41 0.00 -2.04 0.00 0.00 64.34 57.52 1umf n VAL 52 Cb 0.28 -1.20 -0.09 0.00 -1.47 0.00 0.00 33.84 31.36 1umf n VAL 52 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1umf s PHE 53 N -1.77 3.19 0.18 6.34 0.40 -1.26 -4.50 117.98 120.56 1umf s PHE 53 Ca 0.37 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.74 1umf s PHE 53 Cb 0.25 -2.79 0.00 0.00 0.51 0.00 0.00 43.02 40.99 1umf s PHE 53 CO -0.10 -0.49 0.00 -0.89 0.70 0.00 0.00 175.22 174.44 1umf n ILE 54 N 5.33 -5.20 -3.33 0.64 5.41 -1.26 -4.85 119.36 116.10 1umf n ILE 54 Ca -0.07 1.60 -0.09 0.00 1.00 0.00 0.00 62.75 65.18 1umf n ILE 54 Cb 0.49 -2.88 0.00 0.00 -0.71 0.00 0.00 39.64 36.54 1umf n ILE 54 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1umf n THR 55 N 0.39 -7.74 -1.92 1.39 -2.24 -1.26 -4.93 114.28 97.97 1umf n THR 55 Ca 0.00 -0.17 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 1umf n THR 55 Cb 0.00 -5.51 0.05 0.00 -2.10 0.00 0.00 70.33 62.77 1umf n THR 55 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1umf s PRO 56 N -3.72 2.83 0.79 -0.78 0.04 -1.26 -5.02 135.00 127.87 1umf s PRO 56 Ca 0.01 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 1umf s PRO 56 Cb -0.00 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.70 1umf s PRO 56 CO 0.80 -1.34 1.09 1.03 0.04 0.00 0.00 177.00 178.62 1umf s ARG 57 N -3.37 2.15 0.00 4.56 1.81 -1.26 -4.97 118.95 117.87 1umf s ARG 57 Ca 0.79 0.96 0.00 0.00 -1.72 0.00 0.00 55.73 55.76 1umf s ARG 57 Cb -0.32 -1.90 0.00 0.00 -0.45 0.00 0.00 34.95 32.28 1umf s ARG 57 CO 0.35 -1.66 0.01 0.36 -0.68 0.00 0.00 175.30 173.69 1umf n LYS 58 N -3.51 0.00 -0.31 3.54 0.00 -1.26 -4.92 118.16 111.70 1umf n LYS 58 Ca 0.08 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.31 58.35 1umf n LYS 58 Cb 0.54 -0.34 -0.03 0.00 -0.00 0.00 0.00 35.03 35.20 1umf n LYS 58 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1umf n GLU 59 N 0.00 0.63 -2.30 -1.58 2.13 -1.26 -4.72 120.64 113.53 1umf n GLU 59 Ca 0.00 -0.20 -0.05 0.00 0.66 0.00 0.00 57.16 57.57 1umf n GLU 59 Cb 0.26 -1.49 -0.00 0.00 0.27 0.00 0.00 31.44 30.48 1umf n GLU 59 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1umf n ASP 60 N 2.26 -0.60 0.00 4.31 8.00 -1.26 -5.07 116.55 124.19 1umf n ASP 60 Ca 0.09 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.93 1umf n ASP 60 Cb 0.30 1.07 0.00 0.00 -0.02 0.00 0.00 41.12 42.47 1umf n ASP 60 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1umf n ASP 61 N -1.70 0.00 -4.67 -2.24 3.85 -1.25 -4.97 116.55 105.57 1umf n ASP 61 Ca -0.01 0.00 -0.35 0.00 -0.71 0.00 0.00 54.79 53.72 1umf n ASP 61 Cb 0.21 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 39.89 1umf n ASP 61 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1umf s LYS 62 N 0.00 3.27 -0.23 0.11 3.01 -0.98 -4.96 119.74 119.95 1umf s LYS 62 Ca 0.00 -0.38 -0.08 0.00 -1.01 0.00 0.00 55.97 54.49 1umf s LYS 62 Cb 0.00 -2.91 -0.04 0.00 -1.01 0.00 0.00 37.83 33.87 1umf s LYS 62 CO 0.00 0.59 0.10 0.08 0.51 0.00 0.00 175.35 176.63 1umf s VAL 63 N -0.55 4.82 -0.33 3.17 1.01 -1.26 -2.22 120.40 125.04 1umf s VAL 63 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1umf s VAL 63 Cb -0.12 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1umf s VAL 63 CO 0.02 0.37 0.09 -0.70 0.00 0.00 0.00 175.10 174.88 1umf s GLU 64 N 1.06 2.60 -0.37 2.72 2.12 0.48 -4.97 118.70 122.34 1umf s GLU 64 Ca 0.05 -1.19 -0.29 0.00 0.36 0.00 0.00 54.97 53.91 1umf s GLU 64 Cb -0.14 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.86 1umf s GLU 64 CO 0.04 -0.65 1.11 0.42 -0.54 0.00 0.00 175.26 175.64 1umf s ILE 65 N 1.38 4.38 -1.33 -3.70 1.01 -1.26 -0.57 121.20 121.11 1umf s ILE 65 Ca -0.02 1.53 0.23 0.00 0.00 0.00 0.00 60.65 62.39 1umf s ILE 65 Cb -0.19 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.77 1umf s ILE 65 CO 0.02 -0.67 1.19 0.35 0.00 0.00 0.00 174.94 175.83 1umf n THR 66 N 6.24 0.00 -3.66 2.92 -2.24 0.11 -4.98 114.28 112.67 1umf n THR 66 Ca 0.12 -0.07 -0.02 0.00 -2.27 0.00 0.00 64.05 61.81 1umf n THR 66 Cb 0.48 0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 1umf n THR 66 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1umf s SER 67 N -2.82 -0.15 -0.02 3.42 1.04 -1.19 -4.88 113.70 109.11 1umf s SER 67 Ca 0.14 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1umf s SER 67 Cb 0.17 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1umf s SER 67 CO 0.71 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1umf n GLY 68 N -0.41 0.47 2.84 7.32 0.00 -0.92 -3.30 105.19 111.19 1umf n GLY 68 Ca -0.07 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 1umf n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1umf s VAL 69 N -1.95 0.16 -0.06 1.61 1.01 -1.26 -1.46 120.40 118.45 1umf s VAL 69 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1umf s VAL 69 Cb 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 36.19 1umf s VAL 69 CO 0.00 0.12 0.10 0.12 0.00 0.00 0.00 175.10 175.44 1umf s PHE 70 N 0.74 -0.06 -1.48 5.22 5.36 -0.18 -4.85 117.98 122.72 1umf s PHE 70 Ca -0.07 0.39 -0.11 0.00 -0.96 0.00 0.00 56.93 56.18 1umf s PHE 70 Cb -0.10 -0.29 0.06 0.00 -0.34 0.00 0.00 43.02 42.35 1umf s PHE 70 CO -0.01 -0.19 1.00 0.39 -1.46 0.00 0.00 175.22 174.94 1umf n GLU 71 N 4.90 -5.97 -1.55 10.12 1.02 -1.26 -1.87 120.64 126.02 1umf n GLU 71 Ca -0.13 0.65 -0.13 0.00 -0.02 0.00 0.00 57.16 57.53 1umf n GLU 71 Cb 0.50 -5.54 -0.05 0.00 -0.02 0.00 0.00 31.44 26.33 1umf n GLU 71 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1umf n ASP 72 N -2.89 -4.52 -4.05 1.62 8.00 -1.26 -5.00 116.55 108.45 1umf n ASP 72 Ca -0.00 0.26 -0.19 0.00 0.71 0.00 0.00 54.79 55.57 1umf n ASP 72 Cb 0.55 -3.29 -0.15 0.00 -0.02 0.00 0.00 41.12 38.21 1umf n ASP 72 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1umf s PHE 73 N -2.53 0.90 0.39 1.24 0.08 -0.78 -0.20 117.98 117.08 1umf s PHE 73 Ca 0.00 -0.19 -0.27 0.00 0.12 0.00 0.00 56.93 56.59 1umf s PHE 73 Cb 0.00 -0.57 -0.09 0.00 -0.57 0.00 0.00 43.02 41.78 1umf s PHE 73 CO 0.00 -0.01 1.36 -1.54 -0.10 0.00 0.00 175.22 174.93 1umf s SER 74 N -0.35 6.33 0.00 1.36 1.04 -0.37 -1.01 113.70 120.70 1umf s SER 74 Ca 0.03 2.79 0.24 0.00 0.48 0.00 0.00 55.95 59.49 1umf s SER 74 Cb -0.04 -2.65 0.32 0.00 0.10 0.00 0.00 66.02 63.75 1umf s SER 74 CO -0.00 -0.85 1.29 0.35 0.98 0.00 0.00 173.24 175.01 1umf n THR 75 N 0.27 0.00 0.00 2.02 -2.24 -0.54 -1.91 114.28 111.88 1umf n THR 75 Ca 0.03 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1umf n THR 75 Cb 0.42 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1umf n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1umf n GLY 76 N 1.42 2.26 3.99 3.38 0.00 -1.26 -4.68 105.19 110.29 1umf n GLY 76 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1umf n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1umf s THR 77 N -2.51 2.54 0.28 2.61 -4.23 -1.26 -4.63 115.64 108.45 1umf s THR 77 Ca 0.00 -0.74 -0.29 0.00 -1.18 0.00 0.00 61.69 59.48 1umf s THR 77 Cb 0.00 -2.81 -0.14 0.00 1.34 0.00 0.00 72.50 70.90 1umf s THR 77 CO 0.00 0.00 1.17 -2.65 -0.54 0.00 0.00 174.62 172.60 1umf n PRO 78 N -2.37 1.66 -3.51 3.99 -0.02 -1.26 -4.53 135.00 128.97 1umf n PRO 78 Ca 0.10 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1umf n PRO 78 Cb 0.60 -2.08 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 1umf n PRO 78 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1umf s ILE 79 N -0.80 4.58 0.23 4.25 1.01 -0.10 -2.15 121.20 128.21 1umf s ILE 79 Ca 0.61 -2.30 -0.20 0.00 0.00 0.00 0.00 60.65 58.76 1umf s ILE 79 Cb -0.67 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 37.78 1umf s ILE 79 CO 0.58 -0.89 0.73 -0.83 0.00 0.00 0.00 174.94 174.53 1umf s GLY 80 N 2.03 2.61 -0.05 6.18 0.00 -1.21 -1.10 107.32 115.79 1umf s GLY 80 Ca 0.12 0.16 -0.15 0.00 0.00 0.00 0.00 44.72 44.85 1umf s GLY 80 CO -0.04 0.52 0.34 -0.11 0.00 0.00 0.00 173.10 173.81 1umf s PHE 81 N -1.53 -0.26 0.01 1.90 -0.12 -0.07 0.05 117.98 117.95 1umf s PHE 81 Ca 0.43 0.49 0.07 0.00 -0.05 0.00 0.00 56.93 57.87 1umf s PHE 81 Cb -0.16 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.32 1umf s PHE 81 CO 0.21 -0.36 -0.20 -0.51 -0.05 0.00 0.00 175.22 174.31 1umf s LEU 82 N -0.95 2.43 -0.27 -1.99 1.43 0.26 -1.34 118.68 118.26 1umf s LEU 82 Ca -0.10 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1umf s LEU 82 Cb -0.04 -1.45 0.06 0.00 0.03 0.00 0.00 46.19 44.79 1umf s LEU 82 CO 0.04 0.29 -0.09 -0.63 0.23 0.00 0.00 176.35 176.18 1umf s ILE 83 N -0.79 2.26 -0.14 -0.59 1.01 0.83 -0.38 121.20 123.40 1umf s ILE 83 Ca 0.12 -1.63 -0.20 0.00 0.00 0.00 0.00 60.65 58.95 1umf s ILE 83 Cb -0.10 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1umf s ILE 83 CO 0.02 -0.05 0.55 -1.00 0.00 0.00 0.00 174.94 174.46 1umf s HIS 84 N 1.11 3.46 0.04 3.97 3.76 -0.94 -2.29 115.29 124.40 1umf s HIS 84 Ca -0.08 0.92 0.00 0.00 -0.15 0.00 0.00 55.06 55.75 1umf s HIS 84 Cb -0.20 -2.66 -0.00 0.00 1.11 0.00 0.00 32.58 30.83 1umf s HIS 84 CO -0.05 0.03 0.05 0.27 -0.85 0.00 0.00 174.74 174.19 1umf n ASN 85 N 4.20 -0.13 0.00 1.40 6.94 -1.17 -2.32 115.26 124.19 1umf n ASN 85 Ca -0.05 -1.20 0.00 0.00 -0.02 0.00 0.00 54.58 53.31 1umf n ASN 85 Cb 0.51 0.24 0.00 0.00 -2.36 0.00 0.00 39.78 38.17 1umf n ASN 85 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1umf n GLN 86 N -0.06 0.00 -3.75 -3.83 6.02 -1.26 -4.82 117.38 109.68 1umf n GLN 86 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1umf n GLN 86 Cb 0.06 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.31 1umf n GLN 86 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1umf s ARG 87 N -3.63 1.07 0.45 -1.09 3.03 -1.26 -5.03 118.95 112.49 1umf s ARG 87 Ca 0.00 -0.60 0.00 0.00 2.03 0.00 0.00 55.73 57.16 1umf s ARG 87 Cb 0.00 0.36 0.00 0.00 -1.03 0.00 0.00 34.95 34.28 1umf s ARG 87 CO 0.00 -0.49 0.00 0.00 -1.13 0.00 0.00 175.30 173.68 1umf n ALA 88 N -0.50 -3.75 -2.91 7.88 0.00 -1.26 -4.84 120.51 115.14 1umf n ALA 88 Ca -0.06 0.64 -0.34 0.00 0.00 0.00 0.00 53.44 53.68 1umf n ALA 88 Cb 0.61 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.54 1umf n ALA 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1umf s ARG 89 N -3.02 3.70 0.43 0.00 1.81 -1.26 -5.08 118.95 115.54 1umf s ARG 89 Ca 0.00 -0.48 -0.22 0.00 -1.72 0.00 0.00 55.73 53.32 1umf s ARG 89 Cb 0.00 -2.97 -0.13 0.00 -0.45 0.00 0.00 34.95 31.40 1umf s ARG 89 CO 0.00 0.27 0.46 -1.13 -0.68 0.00 0.00 175.30 174.22 1umf n SER 90 N 3.45 -1.27 0.00 0.23 3.41 -1.26 -4.91 113.62 113.27 1umf n SER 90 Ca -0.17 0.87 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1umf n SER 90 Cb 0.52 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1umf n SER 90 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1umf n LYS 91 N 0.68 0.00 0.00 4.33 -0.00 -1.26 -5.17 118.16 116.74 1umf n LYS 91 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 1umf n LYS 91 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.43 1umf n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1umf n ASP 92 N 0.00 0.25 -2.10 -5.58 9.92 -1.26 -4.75 116.55 113.03 1umf n ASP 92 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 1umf n ASP 92 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1umf n ASP 92 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1umf n TYR 93 N 0.00 -0.63 -3.75 1.24 4.02 -1.26 -4.96 117.16 111.82 1umf n TYR 93 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1umf n TYR 93 Cb 0.00 -3.80 -0.12 0.00 -0.02 0.00 0.00 39.34 35.40 1umf n TYR 93 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1umf s ASP 94 N -2.32 -0.29 0.00 7.72 1.11 -1.26 -4.84 116.67 116.79 1umf s ASP 94 Ca 0.00 0.56 0.00 0.00 0.18 0.00 0.00 52.55 53.29 1umf s ASP 94 Cb 0.00 0.50 0.00 0.00 1.07 0.00 0.00 42.92 44.49 1umf s ASP 94 CO 0.00 -0.13 0.00 -0.46 1.18 0.00 0.00 175.17 175.76 1umf n ASN 95 N 3.63 0.12 -4.30 0.27 6.94 -1.26 -4.79 115.26 115.88 1umf n ASN 95 Ca -0.19 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.04 1umf n ASN 95 Cb 0.56 0.00 0.14 0.00 -2.36 0.00 0.00 39.78 38.12 1umf n ASN 95 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1umf n ILE 96 N 0.00 0.00 -1.84 1.53 5.41 -1.26 -4.96 119.36 118.24 1umf n ILE 96 Ca 0.00 -0.25 0.05 0.00 1.00 0.00 0.00 62.75 63.54 1umf n ILE 96 Cb 0.00 -0.55 0.09 0.00 -0.71 0.00 0.00 39.64 38.47 1umf n ILE 96 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1umf n LYS 97 N -1.50 0.68 -2.40 0.38 5.02 -1.26 -4.77 118.16 114.30 1umf n LYS 97 Ca 0.03 -2.20 0.01 0.00 -2.02 0.00 0.00 58.31 54.13 1umf n LYS 97 Cb 0.60 -0.86 0.04 0.00 -0.02 0.00 0.00 35.03 34.79 1umf n LYS 97 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1umf n ASN 98 N -0.45 1.41 -3.84 4.39 3.02 -1.26 -4.99 115.26 113.53 1umf n ASN 98 Ca 0.10 -2.03 -0.10 0.00 -0.03 0.00 0.00 54.58 52.52 1umf n ASN 98 Cb 0.81 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 39.48 1umf n ASN 98 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1umf s LEU 99 N -2.59 1.34 -0.81 3.41 0.05 -1.26 -3.02 118.68 115.80 1umf s LEU 99 Ca 0.29 -0.44 -0.14 0.00 0.05 0.00 0.00 54.13 53.89 1umf s LEU 99 Cb 0.34 1.01 0.21 0.00 -2.05 0.00 0.00 46.19 45.71 1umf s LEU 99 CO -0.08 -0.61 0.76 -0.36 -0.55 0.00 0.00 176.35 175.50 1umf s PHE 100 N -2.95 3.73 0.65 3.48 0.08 -0.81 -4.86 117.98 117.30 1umf s PHE 100 Ca -0.02 -1.95 -0.16 0.00 0.12 0.00 0.00 56.93 54.92 1umf s PHE 100 Cb 0.01 -3.82 -0.13 0.00 -0.57 0.00 0.00 43.02 38.50 1umf s PHE 100 CO -0.06 -1.00 -0.38 0.54 -0.10 0.00 0.00 175.22 174.22 1umf n ARG 101 N 4.06 0.00 -1.69 0.44 1.74 -1.26 -4.23 116.66 115.71 1umf n ARG 101 Ca 0.13 0.00 -0.51 0.00 -0.77 0.00 0.00 57.85 56.70 1umf n ARG 101 Cb 0.47 -0.90 -0.05 0.00 -1.02 0.00 0.00 32.46 30.95 1umf n ARG 101 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1umf n PRO 102 N 1.75 1.91 -2.78 5.56 -0.02 -1.26 -1.55 135.00 138.61 1umf n PRO 102 Ca 0.03 0.70 -0.15 0.00 -2.02 0.00 0.00 63.50 62.06 1umf n PRO 102 Cb 0.46 -2.50 0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1umf n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1umf n SER 103 N 6.21 -4.59 -4.37 2.55 2.88 -1.26 -4.66 113.62 110.37 1umf n SER 103 Ca 0.23 -0.20 -0.32 0.00 -1.33 0.00 0.00 58.87 57.25 1umf n SER 103 Cb 0.25 -3.45 -0.15 0.00 -0.75 0.00 0.00 64.21 60.12 1umf n SER 103 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1umf s HIS 104 N -2.97 2.63 -2.00 0.66 3.76 -0.59 -4.89 115.29 111.89 1umf s HIS 104 Ca 0.21 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1umf s HIS 104 Cb -0.09 -1.68 0.14 0.00 1.11 0.00 0.00 32.58 32.05 1umf s HIS 104 CO 0.26 -0.08 0.62 0.00 -0.85 0.00 0.00 174.74 174.69 1umf n ALA 105 N 2.90 1.59 -0.14 -1.40 0.00 -1.26 -2.63 120.51 119.57 1umf n ALA 105 Ca -0.18 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.37 1umf n ALA 105 Cb 0.52 -1.04 0.47 0.00 0.00 0.00 0.00 19.45 19.41 1umf n ALA 105 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1umf h ASP 106 N 0.00 0.44 -0.15 0.00 3.32 -1.92 0.27 116.42 118.38 1umf h ASP 106 Ca 0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1umf h ASP 106 Cb 0.00 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1umf h ASP 106 CO 0.00 0.25 -0.05 0.15 -1.72 0.00 0.00 179.24 177.87 1umf h PHE 107 N 0.48 0.34 -0.33 4.55 3.57 -1.81 -2.89 116.94 120.84 1umf h PHE 107 Ca 0.32 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 1umf h PHE 107 Cb 0.61 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1umf h PHE 107 CO -0.00 0.60 -0.02 1.79 -2.23 0.00 0.00 178.31 178.44 1umf h THR 108 N -0.02 1.26 -0.46 4.41 1.35 -1.43 -3.01 112.91 115.02 1umf h THR 108 Ca 0.04 -1.01 0.07 0.00 -0.55 0.00 0.00 66.41 64.96 1umf h THR 108 Cb 0.50 1.27 -0.06 0.00 -1.73 0.00 0.00 68.15 68.12 1umf h THR 108 CO 0.02 0.33 0.10 1.88 -0.25 0.00 0.00 175.52 177.60 1umf h TYR 109 N 0.39 0.16 -1.00 4.73 0.05 -0.57 0.34 116.97 121.07 1umf h TYR 109 Ca 0.09 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.92 1umf h TYR 109 Cb 0.48 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.16 1umf h TYR 109 CO 0.04 0.01 0.66 0.35 -1.05 0.00 0.00 178.16 178.18 1umf h PHE 110 N 0.24 1.25 -0.08 4.88 3.57 -1.48 0.12 116.94 125.43 1umf h PHE 110 Ca 0.22 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.59 1umf h PHE 110 Cb 0.28 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1umf h PHE 110 CO -0.21 0.75 -0.66 0.45 -2.23 0.00 0.00 178.31 176.41 1umf h HIS 111 N 1.32 0.41 0.17 0.41 3.86 -1.24 0.68 115.15 120.77 1umf h HIS 111 Ca 0.38 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1umf h HIS 111 Cb -0.09 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.32 1umf h HIS 111 CO -0.00 0.88 -0.08 -0.22 0.86 0.00 0.00 177.93 179.37 1umf h LYS 112 N 0.22 -0.22 0.00 2.45 3.64 -0.29 -3.40 116.57 118.97 1umf h LYS 112 Ca -0.02 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1umf h LYS 112 Cb 1.20 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1umf h LYS 112 CO 0.11 0.20 -1.83 0.66 -2.27 0.00 0.00 179.45 176.32 1umf n TYR 113 N -4.95 0.00 -2.77 1.91 4.01 0.35 -5.05 117.16 110.66 1umf n TYR 113 Ca -0.08 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.55 1umf n TYR 113 Cb 0.27 -0.51 0.02 0.00 -0.31 0.00 0.00 39.34 38.81 1umf n TYR 113 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1umf n GLY 114 N 1.85 0.17 3.14 2.72 0.00 0.24 -5.02 105.19 108.28 1umf n GLY 114 Ca -0.12 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1umf n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1umf s ILE 115 N -2.95 1.52 0.00 -0.61 1.01 -1.26 -5.01 121.20 113.90 1umf s ILE 115 Ca 0.19 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1umf s ILE 115 Cb -0.08 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1umf s ILE 115 CO 0.24 0.44 0.51 0.54 0.00 0.00 0.00 174.94 176.66 1umf n ARG 116 N 3.30 0.35 0.00 2.79 5.12 -1.26 -4.76 116.66 122.19 1umf n ARG 116 Ca -0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 1umf n ARG 116 Cb 0.53 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 1umf n ARG 116 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1umf n ASP 117 N 1.27 0.00 -0.91 0.55 2.03 -1.26 -4.99 116.55 113.25 1umf n ASP 117 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 1umf n ASP 117 Cb 0.18 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.56 1umf n ASP 117 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1umf n PHE 118 N 0.00 -2.47 0.00 -0.67 3.72 -1.26 -5.04 117.46 111.75 1umf n PHE 118 Ca 0.00 1.34 0.00 0.00 -0.05 0.00 0.00 57.45 58.74 1umf n PHE 118 Cb 0.00 -2.27 0.00 0.00 -0.94 0.00 0.00 39.48 36.27 1umf n PHE 118 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1umf n ARG 119 N -2.49 0.19 0.00 -1.08 3.00 -1.26 -5.08 116.66 109.94 1umf n ARG 119 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1umf n ARG 119 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 32.46 32.67 1umf n ARG 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1umf n GLY 120 N -0.25 0.11 1.37 5.14 0.00 -1.26 -5.04 105.19 105.25 1umf n GLY 120 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1umf n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umf n GLY 121 N 0.00 -0.69 2.20 -0.02 0.00 -1.26 -4.14 105.19 101.28 1umf n GLY 121 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1umf n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umf n GLY 122 N -0.43 1.09 4.91 -0.02 0.00 -1.26 -4.00 105.19 105.49 1umf n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1umf n GLY 122 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1umf n ARG 123 N -1.44 0.00 0.00 1.61 1.85 -1.26 -3.25 116.66 114.17 1umf n ARG 123 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 1umf n ARG 123 Cb 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.85 1umf n ARG 123 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1umf n SER 124 N 0.00 0.00 -0.31 2.89 2.88 -1.26 -4.83 113.62 113.00 1umf n SER 124 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1umf n SER 124 Cb 0.00 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 63.76 1umf n SER 124 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1umf h SER 125 N 0.00 -0.12 -0.86 -3.46 0.87 -1.91 0.33 113.55 108.40 1umf h SER 125 Ca 0.00 0.22 0.13 0.00 -1.23 0.00 0.00 61.79 60.91 1umf h SER 125 Cb 0.00 0.33 -0.09 0.00 -0.44 0.00 0.00 62.40 62.20 1umf h SER 125 CO 0.00 -0.23 0.47 0.00 -0.53 0.00 0.00 176.83 176.55 1umf h ALA 126 N 1.84 1.28 -0.07 6.23 0.00 -1.91 0.17 119.26 126.80 1umf h ALA 126 Ca 0.57 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.47 1umf h ALA 126 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1umf h ALA 126 CO -0.73 0.00 -0.24 0.00 0.00 0.00 0.00 179.25 178.29 1umf h ARG 127 N 0.72 0.29 -0.93 0.00 3.08 -0.69 -3.12 114.38 113.72 1umf h ARG 127 Ca 0.45 -0.21 0.06 0.00 0.07 0.00 0.00 59.98 60.35 1umf h ARG 127 Cb 0.56 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 1umf h ARG 127 CO -0.32 0.84 0.60 0.93 -1.07 0.00 0.00 179.97 180.96 1umf h GLU 128 N -0.21 1.05 0.00 0.04 4.39 -0.79 -0.80 114.58 118.27 1umf h GLU 128 Ca -0.01 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1umf h GLU 128 Cb 0.86 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1umf h GLU 128 CO 0.05 0.70 -0.04 0.77 -1.16 0.00 0.00 179.01 179.33 1umf h SER 129 N 1.08 0.00 -0.33 1.42 0.02 -0.67 -0.21 113.55 114.86 1umf h SER 129 Ca 0.39 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.25 1umf h SER 129 Cb 0.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1umf h SER 129 CO -0.14 0.04 -0.18 0.00 -1.14 0.00 0.00 176.83 175.40 1umf h ALA 130 N 1.96 0.46 -0.73 3.77 0.00 -1.09 -1.05 119.26 122.59 1umf h ALA 130 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1umf h ALA 130 Cb 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1umf h ALA 130 CO 0.01 0.39 0.25 0.82 0.00 0.00 0.00 179.25 180.71 1umf h ILE 131 N 0.47 1.26 -0.30 0.00 1.08 -1.07 -2.01 117.51 116.94 1umf h ILE 131 Ca 0.07 -0.87 -0.05 0.00 -0.39 0.00 0.00 64.86 63.62 1umf h ILE 131 Cb 0.72 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 1umf h ILE 131 CO 0.05 0.34 -0.02 0.03 -0.69 0.00 0.00 178.15 177.86 1umf h ARG 132 N 1.08 0.54 -0.56 2.37 3.08 -0.89 -1.54 114.38 118.46 1umf h ARG 132 Ca 0.24 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 1umf h ARG 132 Cb 0.27 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1umf h ARG 132 CO -0.01 0.70 -0.08 0.28 -1.07 0.00 0.00 179.97 179.79 1umf h VAL 133 N 0.32 1.27 -0.02 2.04 2.07 -1.12 0.47 116.25 121.29 1umf h VAL 133 Ca 0.08 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1umf h VAL 133 Cb 0.47 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1umf h VAL 133 CO 0.02 0.44 0.01 0.00 0.02 0.00 0.00 177.57 178.06 1umf h ALA 134 N 0.95 0.03 -0.84 1.67 0.00 -1.36 -1.99 119.26 117.72 1umf h ALA 134 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1umf h ALA 134 Cb 0.65 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1umf h ALA 134 CO 0.04 -0.37 0.41 0.00 0.00 0.00 0.00 179.25 179.33 1umf h ALA 135 N 0.81 1.15 -0.33 0.00 0.00 -1.15 -2.27 119.26 117.46 1umf h ALA 135 Ca 0.01 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1umf h ALA 135 Cb 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1umf h ALA 135 CO -0.00 0.65 0.22 0.78 0.00 0.00 0.00 179.25 180.91 1umf h GLY 136 N 1.20 0.34 0.97 0.00 0.00 0.21 -1.68 103.07 104.11 1umf h GLY 136 Ca 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 1umf h GLY 136 CO -0.04 0.10 0.14 0.00 0.00 0.00 0.00 176.54 176.74 1umf h ALA 137 N 1.81 0.65 -0.82 3.60 0.00 -0.75 0.24 119.26 124.00 1umf h ALA 137 Ca 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1umf h ALA 137 Cb 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1umf h ALA 137 CO -0.03 0.33 0.39 0.74 0.00 0.00 0.00 179.25 180.68 1umf h PHE 138 N 0.68 1.18 -0.57 0.00 -1.00 -1.31 -0.38 116.94 115.54 1umf h PHE 138 Ca 0.16 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 1umf h PHE 138 Cb 0.30 -0.37 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 1umf h PHE 138 CO 0.02 0.86 0.24 0.00 -1.61 0.00 0.00 178.31 177.81 1umf h ALA 139 N 1.26 0.74 -0.92 2.45 0.00 -1.01 -2.13 119.26 119.65 1umf h ALA 139 Ca 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1umf h ALA 139 Cb 0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1umf h ALA 139 CO -0.04 0.35 0.56 0.87 0.00 0.00 0.00 179.25 181.00 1umf h LYS 140 N 0.79 1.24 -0.69 0.00 1.57 -0.10 -0.18 116.57 119.20 1umf h LYS 140 Ca 0.19 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1umf h LYS 140 Cb 0.19 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1umf h LYS 140 CO -0.02 0.86 0.45 0.52 -0.57 0.00 0.00 179.45 180.69 1umf h MET 141 N 1.27 0.92 -0.03 3.15 2.86 -0.73 -0.12 114.93 122.24 1umf h MET 141 Ca 0.33 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 1umf h MET 141 Cb -0.07 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.39 1umf h MET 141 CO -0.06 0.62 -0.04 1.25 1.06 0.00 0.00 176.91 179.74 1umf h LEU 142 N 0.94 0.09 -1.20 1.22 6.46 -0.66 -3.22 115.31 118.93 1umf h LEU 142 Ca 0.25 -0.51 0.05 0.00 -0.12 0.00 0.00 57.88 57.56 1umf h LEU 142 Cb -0.09 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 39.76 1umf h LEU 142 CO -0.05 0.58 0.56 -0.07 -0.62 0.00 0.00 178.44 178.83 1umf h LEU 143 N -0.40 0.86 -1.19 2.25 3.38 -0.63 -1.81 115.31 117.77 1umf h LEU 143 Ca 0.00 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1umf h LEU 143 Cb 0.56 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1umf h LEU 143 CO 0.01 0.57 0.57 -0.09 0.09 0.00 0.00 178.44 179.59 1umf h ARG 144 N 0.99 0.93 -0.42 1.13 2.43 -1.02 -0.60 114.38 117.81 1umf h ARG 144 Ca 0.36 -0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.59 1umf h ARG 144 Cb 0.15 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1umf h ARG 144 CO -0.12 0.62 0.36 0.93 -1.51 0.00 0.00 179.97 180.24 1umf h GLU 145 N 0.96 0.00 -0.24 0.20 4.39 -1.34 0.17 114.58 118.73 1umf h GLU 145 Ca 0.38 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.00 1umf h GLU 145 Cb 0.24 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1umf h GLU 145 CO -0.14 0.00 -0.08 0.44 -1.16 0.00 0.00 179.01 178.06 1umf n ILE 146 N -4.09 2.35 -2.25 3.13 -5.35 -0.41 -4.98 119.36 107.74 1umf n ILE 146 Ca 0.07 -2.46 -0.11 0.00 -0.27 0.00 0.00 62.75 59.98 1umf n ILE 146 Cb 0.55 -0.28 -0.00 0.00 -1.74 0.00 0.00 39.64 38.16 1umf n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1umf n GLY 147 N -0.99 -0.08 3.45 3.28 0.00 0.60 -4.95 105.19 106.51 1umf n GLY 147 Ca 0.26 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1umf n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1umf s ILE 148 N -2.59 3.15 0.09 -0.61 1.01 -0.37 0.12 121.20 122.00 1umf s ILE 148 Ca 0.01 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.05 1umf s ILE 148 Cb -0.01 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1umf s ILE 148 CO 0.02 0.57 -0.15 0.54 0.00 0.00 0.00 174.94 175.92 1umf s VAL 149 N -0.36 1.24 -0.02 2.92 0.11 -0.77 -3.31 120.40 120.21 1umf s VAL 149 Ca 0.04 -1.48 0.08 0.00 -2.93 0.00 0.00 61.98 57.69 1umf s VAL 149 Cb -0.12 -1.28 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 1umf s VAL 149 CO 0.02 -0.28 -0.25 0.00 -3.33 0.00 0.00 175.10 171.27 1umf s GLU 151 N -0.57 1.12 0.30 0.00 2.02 0.19 -5.00 118.70 116.76 1umf s GLU 151 Ca 0.09 -1.56 -0.18 0.00 0.02 0.00 0.00 54.97 53.34 1umf s GLU 151 Cb -0.10 0.04 0.02 0.00 0.10 0.00 0.00 34.13 34.20 1umf s GLU 151 CO -0.01 -0.27 0.69 -1.54 0.02 0.00 0.00 175.26 174.16 1umf s SER 152 N -3.15 -0.14 -0.09 -0.19 1.04 -1.26 -1.52 113.70 108.39 1umf s SER 152 Ca 0.30 -0.80 -0.32 0.00 0.48 0.00 0.00 55.95 55.60 1umf s SER 152 Cb 0.07 0.73 0.14 0.00 0.10 0.00 0.00 66.02 67.07 1umf s SER 152 CO 0.07 -1.39 1.42 -0.83 0.98 0.00 0.00 173.24 173.49 1umf s GLY 153 N -2.98 -0.47 -0.26 7.32 0.00 -0.92 -4.85 107.32 105.16 1umf s GLY 153 Ca 0.14 0.87 -0.17 0.00 0.00 0.00 0.00 44.72 45.57 1umf s GLY 153 CO 0.09 0.75 0.45 -0.42 0.00 0.00 0.00 173.10 173.97 1umf s ILE 154 N -2.06 5.12 -0.71 0.90 -1.09 0.63 -1.17 121.20 122.82 1umf s ILE 154 Ca 0.16 0.76 0.21 0.00 -2.23 0.00 0.00 60.65 59.56 1umf s ILE 154 Cb 0.07 -3.77 -0.25 0.00 -1.58 0.00 0.00 42.46 36.92 1umf s ILE 154 CO -0.06 0.13 0.79 2.30 -1.23 0.00 0.00 174.94 176.87 1umf n ILE 155 N 5.05 0.01 -3.65 2.92 -5.35 -0.71 -2.34 119.36 115.30 1umf n ILE 155 Ca -0.06 -0.15 -0.10 0.00 -0.27 0.00 0.00 62.75 62.17 1umf n ILE 155 Cb 0.50 0.68 -0.07 0.00 -1.74 0.00 0.00 39.64 39.01 1umf n ILE 155 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1umf s GLU 156 N -3.15 0.71 -0.12 6.28 2.12 -1.14 0.13 118.70 123.53 1umf s GLU 156 Ca 0.03 1.09 -0.01 0.00 0.36 0.00 0.00 54.97 56.44 1umf s GLU 156 Cb 0.15 0.22 0.03 0.00 0.26 0.00 0.00 34.13 34.79 1umf s GLU 156 CO 0.88 -0.13 -0.06 0.42 -0.54 0.00 0.00 175.26 175.83 1umf s ILE 157 N 1.14 0.94 -1.32 -3.70 -1.09 -1.03 -0.49 121.20 115.66 1umf s ILE 157 Ca -0.06 -0.30 -0.09 0.00 -2.23 0.00 0.00 60.65 57.97 1umf s ILE 157 Cb -0.05 -1.02 0.00 0.00 -1.58 0.00 0.00 42.46 39.81 1umf s ILE 157 CO -0.12 0.30 0.53 0.61 -1.23 0.00 0.00 174.94 175.03 1umf n GLY 158 N 4.96 -0.49 3.25 6.18 0.00 -0.60 -1.78 105.19 116.72 1umf n GLY 158 Ca -0.11 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1umf n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umf n GLY 159 N -1.92 2.69 3.57 -0.02 0.00 -1.26 -4.97 105.19 103.28 1umf n GLY 159 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1umf n GLY 159 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1umf s ILE 160 N -0.72 3.69 0.34 -0.61 1.01 -0.73 -4.99 121.20 119.18 1umf s ILE 160 Ca 0.00 0.58 -0.12 0.00 0.00 0.00 0.00 60.65 61.11 1umf s ILE 160 Cb 0.00 -4.29 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 1umf s ILE 160 CO 0.00 -1.07 0.71 -0.54 0.00 0.00 0.00 174.94 174.04 1umf s LYS 161 N 5.76 3.87 0.08 2.79 1.02 -1.26 -2.45 119.74 129.55 1umf s LYS 161 Ca 0.57 0.50 -0.13 0.00 0.02 0.00 0.00 55.97 56.93 1umf s LYS 161 Cb -0.12 -2.46 -0.06 0.00 -0.52 0.00 0.00 37.83 34.67 1umf s LYS 161 CO 0.25 0.11 0.46 0.00 -0.92 0.00 0.00 175.35 175.25 1umf s ALA 162 N -2.11 3.67 -0.17 5.17 0.00 0.12 -4.88 121.76 123.56 1umf s ALA 162 Ca 0.51 -0.24 0.11 0.00 0.00 0.00 0.00 51.96 52.34 1umf s ALA 162 Cb -0.10 -2.39 -0.18 0.00 0.00 0.00 0.00 23.12 20.44 1umf s ALA 162 CO 0.24 0.50 -0.01 1.63 0.00 0.00 0.00 175.76 178.12 1umf n LYS 163 N 1.11 1.15 -5.12 0.00 5.02 -1.26 -4.96 118.16 114.10 1umf n LYS 163 Ca -0.09 0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 55.94 1umf n LYS 163 Cb 0.52 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.96 1umf n LYS 163 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1umf s ASN 164 N -5.24 2.69 -0.25 4.39 0.01 -1.26 -5.12 114.94 110.16 1umf s ASN 164 Ca -0.13 -0.43 -0.05 0.00 -0.71 0.00 0.00 52.86 51.54 1umf s ASN 164 Cb 0.05 -0.46 -0.00 0.00 0.41 0.00 0.00 41.25 41.25 1umf s ASN 164 CO 0.60 0.25 0.01 -0.31 -1.51 0.00 0.00 177.10 176.15 1umf s TYR 165 N -0.37 3.05 -0.31 2.20 2.02 -1.26 -3.32 117.35 119.36 1umf s TYR 165 Ca 0.04 -0.92 0.03 0.00 -0.37 0.00 0.00 57.07 55.85 1umf s TYR 165 Cb -0.10 -2.17 0.09 0.00 -0.40 0.00 0.00 41.96 39.37 1umf s TYR 165 CO 0.01 -0.54 0.01 0.34 -1.57 0.00 0.00 175.55 173.80 1umf s ASP 166 N 1.49 4.55 0.36 2.29 -1.08 0.86 -4.96 116.67 120.19 1umf s ASP 166 Ca 0.04 -1.86 0.14 0.00 -0.52 0.00 0.00 52.55 50.35 1umf s ASP 166 Cb -0.16 -1.50 0.70 0.00 -1.46 0.00 0.00 42.92 40.50 1umf s ASP 166 CO -0.00 -0.33 1.79 -0.26 0.52 0.00 0.00 175.17 176.89 1umf h PHE 167 N 7.72 0.00 -0.56 -5.34 -1.00 -1.92 -2.11 116.94 113.74 1umf h PHE 167 Ca -0.09 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 1umf h PHE 167 Cb 1.03 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.56 1umf h PHE 167 CO 0.49 0.40 0.16 -0.97 -1.61 0.00 0.00 178.31 176.79 1umf h ASN 168 N 0.00 0.82 -0.29 2.17 -0.00 -1.95 -2.76 115.58 113.57 1umf h ASN 168 Ca -0.00 -0.21 -0.12 0.00 -0.00 0.00 0.00 56.30 55.96 1umf h ASN 168 Cb 0.75 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 38.84 1umf h ASN 168 CO 0.05 0.82 -0.25 -0.74 -0.00 0.00 0.00 177.43 177.31 1umf h HIS 169 N 0.78 0.90 -0.74 0.67 2.76 -1.81 -3.05 115.15 114.66 1umf h HIS 169 Ca 0.18 -0.21 0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1umf h HIS 169 Cb 0.30 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.01 1umf h HIS 169 CO 0.02 0.95 0.49 0.00 -1.30 0.00 0.00 177.93 178.09 1umf h ALA 170 N 1.04 1.52 -0.60 5.26 0.00 -1.12 -2.38 119.26 122.99 1umf h ALA 170 Ca 0.09 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1umf h ALA 170 Cb 0.77 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1umf h ALA 170 CO 0.06 0.42 0.26 -0.07 0.00 0.00 0.00 179.25 179.92 1umf h LEU 171 N 0.95 0.30 -1.47 0.00 3.38 -1.38 -1.65 115.31 115.45 1umf h LEU 171 Ca 0.28 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1umf h LEU 171 Cb -0.02 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1umf h LEU 171 CO -0.07 0.19 0.00 2.29 0.09 0.00 0.00 178.44 180.94 1umf n LYS 172 N -4.94 1.96 -2.98 1.13 0.00 -1.04 -4.90 118.16 107.38 1umf n LYS 172 Ca 0.08 -1.45 -0.39 0.00 -0.00 0.00 0.00 58.31 56.54 1umf n LYS 172 Cb 0.23 -1.41 -0.06 0.00 -0.00 0.00 0.00 35.03 33.79 1umf n LYS 172 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1umf s SER 173 N -1.44 7.37 0.50 -5.58 0.15 -0.62 -4.95 113.70 109.13 1umf s SER 173 Ca 0.33 1.62 0.34 0.00 0.70 0.00 0.00 55.95 58.94 1umf s SER 173 Cb 0.18 -2.50 1.67 0.00 -1.71 0.00 0.00 66.02 63.67 1umf s SER 173 CO 0.26 0.18 2.02 -0.33 1.20 0.00 0.00 173.24 176.57 1umf h GLU 174 N 4.54 0.00 0.00 5.44 3.07 -1.91 -2.43 114.58 123.30 1umf h GLU 174 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1umf h GLU 174 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1umf h GLU 174 CO 0.67 0.00 -0.21 0.44 -1.40 0.00 0.00 179.01 178.50 1umf n ILE 175 N -2.76 0.94 -2.24 3.13 -5.35 -1.26 -4.32 119.36 107.49 1umf n ILE 175 Ca -0.01 -1.12 -0.16 0.00 -0.27 0.00 0.00 62.75 61.19 1umf n ILE 175 Cb 0.14 0.18 -0.02 0.00 -1.74 0.00 0.00 39.64 38.20 1umf n ILE 175 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1umf n PHE 176 N -0.70 -1.04 -1.80 4.28 0.99 -0.91 -4.55 117.46 113.71 1umf n PHE 176 Ca 0.07 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.12 1umf n PHE 176 Cb 0.64 -3.22 0.00 0.00 -1.00 0.00 0.00 39.48 35.90 1umf n PHE 176 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1umf s ALA 177 N -2.72 3.52 -0.33 4.37 0.00 -1.26 -0.27 121.76 125.06 1umf s ALA 177 Ca 0.00 1.55 0.22 0.00 0.00 0.00 0.00 51.96 53.74 1umf s ALA 177 Cb 0.00 -3.61 -0.13 0.00 0.00 0.00 0.00 23.12 19.38 1umf s ALA 177 CO 0.00 -1.08 0.81 1.28 0.00 0.00 0.00 175.76 176.77 1umf n LEU 178 N 0.35 0.46 -4.02 0.00 4.77 -0.99 -2.93 117.00 114.64 1umf n LEU 178 Ca 0.02 0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.71 1umf n LEU 178 Cb 0.40 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1umf n LEU 178 CO 0.63 -0.01 -0.41 -0.62 -1.33 0.00 0.00 177.39 175.64 1umf s ASP 179 N -4.41 4.40 0.63 -1.43 -1.08 -1.21 -0.10 116.67 113.47 1umf s ASP 179 Ca -0.01 -1.57 0.40 0.00 -0.52 0.00 0.00 52.55 50.85 1umf s ASP 179 Cb 0.13 -1.47 2.17 0.00 -1.46 0.00 0.00 42.92 42.30 1umf s ASP 179 CO 0.85 -0.26 2.31 1.05 0.52 0.00 0.00 175.17 179.63 1umf h GLU 180 N 7.78 0.00 0.02 4.34 4.11 -1.86 -1.06 114.58 127.91 1umf h GLU 180 Ca -0.15 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.07 1umf h GLU 180 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1umf h GLU 180 CO 0.47 0.01 -0.96 0.93 0.07 0.00 0.00 179.01 179.52 1umf h GLU 181 N 0.00 0.11 -0.01 1.06 5.08 -1.95 -3.24 114.58 115.63 1umf h GLU 181 Ca -0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1umf h GLU 181 Cb 0.06 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1umf h GLU 181 CO 0.00 0.99 -0.62 1.04 -1.00 0.00 0.00 179.01 179.42 1umf n GLN 182 N -3.53 0.59 -0.03 2.33 1.13 -0.86 -4.51 117.38 112.50 1umf n GLN 182 Ca -0.03 -0.45 -0.09 0.00 -1.94 0.00 0.00 57.00 54.49 1umf n GLN 182 Cb 0.88 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.71 1umf n GLN 182 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1umf h GLU 183 N 1.11 -0.08 -0.34 -1.09 4.81 -1.24 -1.05 114.58 116.70 1umf h GLU 183 Ca 0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1umf h GLU 183 Cb 0.60 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1umf h GLU 183 CO 0.00 -0.05 0.07 0.93 -0.73 0.00 0.00 179.01 179.22 1umf h GLU 184 N -0.09 0.18 -0.41 1.92 4.39 -1.79 0.19 114.58 118.98 1umf h GLU 184 Ca 0.10 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 1umf h GLU 184 Cb 0.24 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1umf h GLU 184 CO -0.23 0.12 0.10 0.00 -1.16 0.00 0.00 179.01 177.84 1umf h ALA 185 N 1.25 1.42 -0.43 3.43 0.00 -1.79 -0.58 119.26 122.56 1umf h ALA 185 Ca 0.16 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1umf h ALA 185 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1umf h ALA 185 CO -0.21 0.43 -0.31 1.96 0.00 0.00 0.00 179.25 181.11 1umf h GLN 186 N 0.59 0.97 -0.47 0.00 4.20 0.01 -2.46 115.11 117.96 1umf h GLN 186 Ca 0.14 -0.47 -0.06 0.00 0.06 0.00 0.00 58.65 58.31 1umf h GLN 186 Cb 0.22 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1umf h GLN 186 CO -0.00 1.14 0.04 0.87 -0.67 0.00 0.00 178.83 180.21 1umf h LYS 187 N 0.81 0.79 -0.64 1.46 1.57 -0.16 -2.78 116.57 117.62 1umf h LYS 187 Ca 0.08 -0.23 0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1umf h LYS 187 Cb 0.90 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.07 1umf h LYS 187 CO 0.08 0.82 0.30 1.15 -0.57 0.00 0.00 179.45 181.24 1umf h THR 188 N 0.65 0.85 -0.64 -0.16 2.02 -1.02 0.24 112.91 114.85 1umf h THR 188 Ca 0.14 -0.18 0.07 0.00 0.77 0.00 0.00 66.41 67.21 1umf h THR 188 Cb 0.44 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 1umf h THR 188 CO 0.02 0.10 0.32 0.00 0.37 0.00 0.00 175.52 176.32 1umf h ALA 189 N 1.40 0.86 0.11 6.16 0.00 -1.21 0.36 119.26 126.93 1umf h ALA 189 Ca 0.31 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1umf h ALA 189 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1umf h ALA 189 CO -0.26 -0.05 -0.05 0.82 0.00 0.00 0.00 179.25 179.71 1umf h ILE 190 N 0.58 1.00 -0.43 0.00 2.04 -0.92 -1.25 117.51 118.53 1umf h ILE 190 Ca 0.30 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.84 1umf h ILE 190 Cb 0.27 1.26 -0.09 0.00 -0.74 0.00 0.00 36.82 37.52 1umf h ILE 190 CO -0.23 0.10 -0.21 1.56 0.00 0.00 0.00 178.15 179.37 1umf h GLN 191 N -0.33 -0.12 -0.99 2.37 4.20 0.29 0.17 115.11 120.70 1umf h GLN 191 Ca -0.01 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1umf h GLN 191 Cb 0.27 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 1umf h GLN 191 CO 0.02 -0.08 0.64 -0.91 -0.67 0.00 0.00 178.83 177.83 1umf h ASN 192 N -0.13 1.06 -0.35 1.46 2.35 -0.19 0.12 115.58 119.91 1umf h ASN 192 Ca 0.21 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1umf h ASN 192 Cb 0.45 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1umf h ASN 192 CO -0.51 0.72 0.17 0.00 -1.65 0.00 0.00 177.43 176.16 1umf h ALA 193 N 1.41 0.45 -0.67 -0.83 0.00 0.25 -1.23 119.26 118.64 1umf h ALA 193 Ca 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1umf h ALA 193 Cb 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1umf h ALA 193 CO -0.13 0.00 0.35 0.82 0.00 0.00 0.00 179.25 180.29 1umf h ILE 194 N 0.43 1.22 -0.38 0.00 2.04 0.04 0.38 117.51 121.23 1umf h ILE 194 Ca 0.12 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1umf h ILE 194 Cb 0.11 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1umf h ILE 194 CO -0.02 0.25 0.05 0.50 0.00 0.00 0.00 178.15 178.94 1umf h LYS 195 N 0.93 0.58 -0.59 2.37 3.64 -0.72 -2.28 116.57 120.50 1umf h LYS 195 Ca 0.23 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1umf h LYS 195 Cb 0.08 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1umf h LYS 195 CO -0.03 0.57 0.00 0.09 -2.27 0.00 0.00 179.45 177.80 1umf n ASN 196 N -4.30 3.38 -3.86 4.20 3.02 -0.49 -4.92 115.26 112.29 1umf n ASN 196 Ca 0.02 -2.18 -0.29 0.00 -0.03 0.00 0.00 54.58 52.10 1umf n ASN 196 Cb 0.22 -0.44 0.03 0.00 -0.61 0.00 0.00 39.78 38.98 1umf n ASN 196 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1umf n HIS 197 N 0.95 -2.38 -3.48 3.10 8.25 -0.71 -4.67 115.22 116.28 1umf n HIS 197 Ca 0.19 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.57 1umf n HIS 197 Cb 0.60 -4.16 0.00 0.00 1.12 0.00 0.00 29.99 27.55 1umf n HIS 197 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1umf n ASP 198 N -2.87 1.91 -3.58 0.41 -0.08 0.13 -1.55 116.55 110.91 1umf n ASP 198 Ca 0.02 -0.48 -0.12 0.00 -1.51 0.00 0.00 54.79 52.69 1umf n ASP 198 Cb 0.54 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.95 1umf n ASP 198 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1umf s SER 199 N 0.03 -0.37 0.08 1.67 1.04 -1.26 -4.41 113.70 110.48 1umf s SER 199 Ca 0.00 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.44 1umf s SER 199 Cb 0.00 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1umf s SER 199 CO 0.00 -0.79 -0.10 0.27 0.98 0.00 0.00 173.24 173.60 1umf s ILE 200 N -3.04 0.86 0.94 -1.02 -5.25 -0.08 -4.81 121.20 108.79 1umf s ILE 200 Ca -0.02 -1.42 -0.15 0.00 -0.99 0.00 0.00 60.65 58.08 1umf s ILE 200 Cb 0.00 -1.09 0.17 0.00 2.95 0.00 0.00 42.46 44.49 1umf s ILE 200 CO -0.06 -0.44 1.24 -0.83 -1.79 0.00 0.00 174.94 173.05 1umf s GLY 201 N -2.06 1.68 0.21 6.27 0.00 -1.26 -4.42 107.32 107.74 1umf s GLY 201 Ca -0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 44.72 43.55 1umf s GLY 201 CO 0.00 -0.26 0.88 -0.32 0.00 0.00 0.00 173.10 173.40 1umf s GLY 202 N -4.59 -0.11 -0.03 0.20 0.00 -0.86 -1.55 107.32 100.38 1umf s GLY 202 Ca 0.69 -0.12 0.03 0.00 0.00 0.00 0.00 44.72 45.32 1umf s GLY 202 CO 0.52 0.14 -0.10 0.14 0.00 0.00 0.00 173.10 173.81 1umf s VAL 203 N -3.31 0.87 0.05 1.40 1.01 0.36 -1.12 120.40 119.65 1umf s VAL 203 Ca 0.13 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1umf s VAL 203 Cb -0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1umf s VAL 203 CO 0.05 0.27 -0.05 0.00 0.00 0.00 0.00 175.10 175.37 1umf s ALA 204 N 0.24 3.11 -0.19 5.51 0.00 -0.62 -1.73 121.76 128.08 1umf s ALA 204 Ca -0.04 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1umf s ALA 204 Cb -0.10 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 1umf s ALA 204 CO 0.01 0.65 -0.12 -1.17 0.00 0.00 0.00 175.76 175.13 1umf s LEU 205 N -1.87 2.58 0.05 0.00 2.96 -0.31 -1.35 118.68 120.74 1umf s LEU 205 Ca 0.21 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.73 1umf s LEU 205 Cb -0.11 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1umf s LEU 205 CO 0.12 0.03 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.33 1umf s ILE 206 N 1.17 2.48 0.10 6.68 1.09 0.71 -2.17 121.20 131.26 1umf s ILE 206 Ca 0.01 -1.32 -0.15 0.00 -1.10 0.00 0.00 60.65 58.10 1umf s ILE 206 Cb -0.14 -2.02 0.03 0.00 -1.06 0.00 0.00 42.46 39.26 1umf s ILE 206 CO -0.04 0.33 0.36 0.00 -0.10 0.00 0.00 174.94 175.48 1umf s ARG 207 N -1.42 0.99 -0.02 2.79 1.70 -0.58 -0.63 118.95 121.79 1umf s ARG 207 Ca 0.13 -0.70 0.03 0.00 -0.47 0.00 0.00 55.73 54.73 1umf s ARG 207 Cb -0.10 0.43 -0.00 0.00 -0.57 0.00 0.00 34.95 34.70 1umf s ARG 207 CO 0.04 -0.37 -0.11 0.00 -1.08 0.00 0.00 175.30 173.79 1umf s ALA 208 N -3.56 0.93 0.18 7.88 0.00 -1.00 -0.63 121.76 125.55 1umf s ALA 208 Ca 0.02 -0.44 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1umf s ALA 208 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1umf s ALA 208 CO -0.10 0.20 0.26 -0.98 0.00 0.00 0.00 175.76 175.14 1umf s ARG 209 N -0.11 1.19 0.02 0.00 1.70 -0.71 -2.18 118.95 118.87 1umf s ARG 209 Ca 0.02 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 53.69 1umf s ARG 209 Cb -0.06 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1umf s ARG 209 CO -0.00 -0.43 0.98 0.45 -1.08 0.00 0.00 175.30 175.22 1umf s SER 210 N -3.02 7.39 0.25 -2.89 0.15 -1.26 -1.85 113.70 112.47 1umf s SER 210 Ca 0.22 1.69 -0.03 0.00 0.70 0.00 0.00 55.95 58.53 1umf s SER 210 Cb 0.04 -2.57 0.44 0.00 -1.71 0.00 0.00 66.02 62.21 1umf s SER 210 CO 0.03 -0.23 1.80 0.40 1.20 0.00 0.00 173.24 176.44 1umf h ILE 211 N 4.67 0.86 -2.29 6.45 2.04 0.52 -3.42 117.51 126.34 1umf h ILE 211 Ca -0.41 -0.26 -0.56 0.00 1.00 0.00 0.00 64.86 64.63 1umf h ILE 211 Cb 1.22 0.05 0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1umf h ILE 211 CO 0.75 0.14 1.16 1.17 0.00 0.00 0.00 178.15 181.36 1umf n LYS 212 N -4.78 2.64 -1.69 2.37 4.81 -1.26 -4.85 118.16 115.41 1umf n LYS 212 Ca 0.15 0.97 -0.53 0.00 -0.87 0.00 0.00 58.31 58.02 1umf n LYS 212 Cb 0.32 -2.87 -0.06 0.00 0.02 0.00 0.00 35.03 32.44 1umf n LYS 212 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1umf n THR 213 N 5.20 0.34 -2.88 3.15 -1.04 -1.26 -2.17 114.28 115.63 1umf n THR 213 Ca 0.20 -0.06 -0.03 0.00 -2.04 0.00 0.00 64.05 62.12 1umf n THR 213 Cb 0.37 -1.43 0.01 0.00 -1.82 0.00 0.00 70.33 67.46 1umf n THR 213 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1umf n ASN 214 N 5.35 -6.75 -3.94 8.00 3.02 -1.26 -5.05 115.26 114.63 1umf n ASN 214 Ca 0.24 -0.19 -0.09 0.00 -0.03 0.00 0.00 54.58 54.51 1umf n ASN 214 Cb 0.20 -4.67 -0.09 0.00 -0.61 0.00 0.00 39.78 34.61 1umf n ASN 214 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1umf s GLN 215 N -3.29 0.63 0.13 3.52 2.00 -0.92 -5.16 119.66 116.57 1umf s GLN 215 Ca 0.09 -0.85 -0.03 0.00 -2.00 0.00 0.00 55.36 52.57 1umf s GLN 215 Cb -0.01 0.24 -0.05 0.00 0.80 0.00 0.00 33.01 33.99 1umf s GLN 215 CO 0.64 -0.16 0.33 0.15 -0.50 0.00 0.00 175.29 175.76 1umf s LYS 216 N -2.98 3.56 0.59 1.67 -0.14 -1.26 -4.36 119.74 116.81 1umf s LYS 216 Ca -0.02 -0.22 -0.09 0.00 -1.36 0.00 0.00 55.97 54.28 1umf s LYS 216 Cb 0.01 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 1umf s LYS 216 CO -0.06 0.50 0.96 -0.51 -0.76 0.00 0.00 175.35 175.47 1umf s LEU 217 N -2.71 3.30 0.36 3.17 1.43 0.19 -4.76 118.68 119.65 1umf s LEU 217 Ca 0.39 1.17 -0.27 0.00 -1.03 0.00 0.00 54.13 54.38 1umf s LEU 217 Cb -0.12 -4.13 -0.12 0.00 0.03 0.00 0.00 46.19 41.85 1umf s LEU 217 CO 0.26 -0.87 1.26 -2.65 0.23 0.00 0.00 176.35 174.58 1umf n PRO 218 N -2.63 2.01 -3.68 1.29 -0.02 -1.26 -4.14 135.00 126.57 1umf n PRO 218 Ca 0.04 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 1umf n PRO 218 Cb 0.55 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 1umf n PRO 218 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1umf s ILE 219 N -1.12 5.38 0.00 4.25 1.01 -1.26 -4.24 121.20 125.21 1umf s ILE 219 Ca 0.57 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1umf s ILE 219 Cb -0.56 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.42 1umf s ILE 219 CO 0.61 0.38 0.00 0.61 0.00 0.00 0.00 174.94 176.54 1umf n GLY 220 N 4.01 0.87 3.72 6.18 0.00 -0.49 -4.97 105.19 114.52 1umf n GLY 220 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1umf n GLY 220 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1umf s LEU 221 N 0.00 4.37 0.00 0.99 1.43 -1.26 -4.65 118.68 119.56 1umf s LEU 221 Ca 0.00 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 1umf s LEU 221 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1umf s LEU 221 CO 0.00 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.24 1umf n GLY 222 N 3.84 4.47 3.11 -3.19 0.00 -1.26 -1.04 105.19 111.12 1umf n GLY 222 Ca 0.15 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 1umf n GLY 222 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1umf s GLN 223 N -4.91 2.62 2.47 1.61 -1.52 -0.41 -4.88 119.66 114.64 1umf s GLN 223 Ca 0.00 -1.09 0.00 0.00 -1.95 0.00 0.00 55.36 52.32 1umf s GLN 223 Cb 0.00 -2.79 0.00 0.00 -0.22 0.00 0.00 33.01 30.00 1umf s GLN 223 CO 0.00 -0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.04 1umf n GLY 224 N 4.54 0.87 0.07 3.09 0.00 -1.26 -2.00 105.19 110.50 1umf n GLY 224 Ca -0.17 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1umf n GLY 224 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1umf h LEU 225 N 0.00 0.07 -3.05 0.99 3.38 -1.98 -3.37 115.31 111.36 1umf h LEU 225 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1umf h LEU 225 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1umf h LEU 225 CO 0.00 1.07 0.00 -1.22 0.09 0.00 0.00 178.44 178.38 1umf n TYR 226 N -3.29 0.99 -2.81 1.13 4.01 -1.26 -4.39 117.16 111.55 1umf n TYR 226 Ca -0.07 -0.62 -0.01 0.00 -0.16 0.00 0.00 57.90 57.04 1umf n TYR 226 Cb 0.99 -0.17 0.06 0.00 -0.31 0.00 0.00 39.34 39.91 1umf n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1umf n ALA 227 N 0.63 2.66 -1.65 -0.72 0.00 -0.85 -5.01 120.51 115.57 1umf n ALA 227 Ca 0.20 -2.63 -0.35 0.00 0.00 0.00 0.00 53.44 50.66 1umf n ALA 227 Cb 0.72 -0.88 0.05 0.00 0.00 0.00 0.00 19.45 19.34 1umf n ALA 227 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1umf s LYS 228 N -3.41 2.74 0.13 0.00 1.02 -1.24 -1.29 119.74 117.69 1umf s LYS 228 Ca 0.26 1.81 -0.20 0.00 0.02 0.00 0.00 55.97 57.86 1umf s LYS 228 Cb 0.34 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.73 1umf s LYS 228 CO -0.04 -1.38 1.71 1.25 -0.92 0.00 0.00 175.35 175.96 1umf h LEU 229 N 0.54 -0.16 -0.64 3.17 5.85 -1.42 -0.55 115.31 122.10 1umf h LEU 229 Ca -0.50 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.17 1umf h LEU 229 Cb 1.30 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 1umf h LEU 229 CO 0.54 -0.05 -0.16 -2.24 -0.34 0.00 0.00 178.44 176.18 1umf h ASP 230 N 0.02 0.90 -0.73 1.25 3.04 -1.92 -0.13 116.42 118.86 1umf h ASP 230 Ca 0.11 -0.31 0.03 0.00 -3.24 0.00 0.00 57.03 53.62 1umf h ASP 230 Cb 0.15 -0.25 -0.04 0.00 -1.04 0.00 0.00 39.33 38.15 1umf h ASP 230 CO -0.21 1.05 0.46 0.00 -2.04 0.00 0.00 179.24 178.50 1umf h ALA 231 N 1.02 0.95 -0.06 4.15 0.00 -1.84 0.19 119.26 123.67 1umf h ALA 231 Ca 0.12 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1umf h ALA 231 Cb 0.70 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1umf h ALA 231 CO 0.05 0.25 -0.73 0.87 0.00 0.00 0.00 179.25 179.70 1umf h LYS 232 N 0.90 0.32 -0.39 0.00 1.79 -0.87 -1.77 116.57 116.55 1umf h LYS 232 Ca 0.29 -0.27 -0.09 0.00 -2.18 0.00 0.00 60.65 58.41 1umf h LYS 232 Cb 0.01 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1umf h LYS 232 CO -0.11 0.91 -0.09 0.82 -1.08 0.00 0.00 179.45 179.90 1umf h ILE 233 N 0.22 1.28 -0.93 1.86 2.04 -0.63 -2.43 117.51 118.92 1umf h ILE 233 Ca -0.03 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.69 1umf h ILE 233 Cb 1.29 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.55 1umf h ILE 233 CO 0.12 0.39 0.60 0.00 0.00 0.00 0.00 178.15 179.26 1umf h ALA 234 N 0.84 1.23 -0.39 1.87 0.00 -0.52 -1.98 119.26 120.33 1umf h ALA 234 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1umf h ALA 234 Cb 0.62 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1umf h ALA 234 CO 0.04 0.45 0.16 1.49 0.00 0.00 0.00 179.25 181.38 1umf h GLU 235 N 1.15 0.57 0.29 0.00 4.81 -1.13 -1.52 114.58 118.75 1umf h GLU 235 Ca 0.37 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1umf h GLU 235 Cb 0.03 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1umf h GLU 235 CO -0.13 0.54 -0.14 0.00 -0.73 0.00 0.00 179.01 178.55 1umf h ALA 236 N 1.00 -0.39 0.43 2.92 0.00 -1.11 -2.85 119.26 119.27 1umf h ALA 236 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1umf h ALA 236 Cb 0.18 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1umf h ALA 236 CO -0.01 -0.61 -0.23 0.52 0.00 0.00 0.00 179.25 178.91 1umf h MET 237 N -0.61 -0.60 -0.07 0.00 2.86 -1.37 -2.63 114.93 112.52 1umf h MET 237 Ca -0.04 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1umf h MET 237 Cb 0.44 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1umf h MET 237 CO 0.07 -0.40 0.10 1.98 1.06 0.00 0.00 176.91 179.72 1umf h MET 238 N -0.62 0.00 0.00 1.72 -1.53 -1.37 0.13 114.93 113.25 1umf h MET 238 Ca -0.05 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1umf h MET 238 Cb 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.54 1umf h MET 238 CO 0.07 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.53 1umf n GLY 239 N -1.30 -1.25 3.72 1.39 0.00 -0.99 -4.71 105.19 102.05 1umf n GLY 239 Ca -0.01 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1umf n GLY 239 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1umf s LEU 240 N -2.86 4.45 0.24 0.99 0.20 0.44 -4.97 118.68 117.17 1umf s LEU 240 Ca 0.15 1.77 -0.31 0.00 0.69 0.00 0.00 54.13 56.43 1umf s LEU 240 Cb 0.16 -3.58 -0.11 0.00 -0.43 0.00 0.00 46.19 42.23 1umf s LEU 240 CO 0.41 -0.15 1.59 0.21 -0.29 0.00 0.00 176.35 178.12 1umf s ASN 241 N 0.36 6.47 0.00 3.68 3.04 -1.26 -2.24 114.94 124.99 1umf s ASN 241 Ca 0.49 2.82 0.00 0.00 0.04 0.00 0.00 52.86 56.21 1umf s ASN 241 Cb -0.23 -2.62 0.00 0.00 -1.54 0.00 0.00 41.25 36.86 1umf s ASN 241 CO 0.29 -0.87 0.00 0.61 -3.04 0.00 0.00 177.10 174.10 1umf n GLY 242 N 2.82 3.20 3.70 1.21 0.00 -1.26 -5.02 105.19 109.84 1umf n GLY 242 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1umf n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1umf s VAL 243 N -2.87 4.14 -0.05 1.61 1.01 -0.95 -1.13 120.40 122.16 1umf s VAL 243 Ca 0.00 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.50 1umf s VAL 243 Cb 0.00 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 1umf s VAL 243 CO 0.00 0.07 0.17 0.29 0.00 0.00 0.00 175.10 175.63 1umf n LYS 244 N 4.43 4.58 -3.54 2.72 4.76 -0.13 -4.92 118.16 126.07 1umf n LYS 244 Ca 0.10 -0.16 -0.17 0.00 -2.87 0.00 0.00 58.31 55.21 1umf n LYS 244 Cb 0.46 -0.67 -0.06 0.00 -1.84 0.00 0.00 35.03 32.92 1umf n LYS 244 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1umf s ALA 245 N -0.77 -1.78 -0.02 7.82 0.00 -1.25 -5.02 121.76 120.74 1umf s ALA 245 Ca 0.00 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.42 1umf s ALA 245 Cb 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1umf s ALA 245 CO 0.02 -0.36 -0.07 0.08 0.00 0.00 0.00 175.76 175.43 1umf s VAL 246 N -0.95 0.63 -0.02 0.00 1.01 -1.26 -1.43 120.40 118.37 1umf s VAL 246 Ca -0.09 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1umf s VAL 246 Cb -0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1umf s VAL 246 CO 0.08 0.21 -0.22 -1.61 0.00 0.00 0.00 175.10 173.56 1umf s GLU 247 N 0.25 1.87 -0.13 2.72 2.02 0.11 -4.96 118.70 120.58 1umf s GLU 247 Ca -0.03 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.18 1umf s GLU 247 Cb -0.08 -1.76 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 1umf s GLU 247 CO 0.00 0.44 -0.17 0.42 0.02 0.00 0.00 175.26 175.98 1umf s ILE 248 N -0.43 2.65 0.00 -1.63 -1.09 -1.26 -0.75 121.20 118.68 1umf s ILE 248 Ca 0.06 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1umf s ILE 248 Cb -0.09 -2.08 0.00 0.00 -1.58 0.00 0.00 42.46 38.70 1umf s ILE 248 CO -0.00 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 1umf n GLY 249 N 3.65 3.05 0.27 6.18 0.00 -0.64 -1.16 105.19 116.54 1umf n GLY 249 Ca -0.19 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.74 1umf n GLY 249 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1umf h LYS 250 N 0.00 0.00 0.00 1.61 1.63 -1.19 -3.46 116.57 115.15 1umf h LYS 250 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1umf h LYS 250 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1umf h LYS 250 CO 0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 1umf n GLY 251 N -1.23 3.03 0.18 5.01 0.00 -0.31 -1.42 105.19 110.45 1umf n GLY 251 Ca -0.02 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1umf n GLY 251 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1umf h VAL 252 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -0.70 116.25 113.76 1umf h VAL 252 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1umf h VAL 252 Cb 0.00 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 1umf h VAL 252 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 177.57 176.01 1umf h GLU 253 N 0.00 0.00 -0.83 5.19 5.08 -1.63 -3.29 114.58 119.10 1umf h GLU 253 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1umf h GLU 253 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1umf h GLU 253 CO 0.00 0.00 0.39 0.77 -1.00 0.00 0.00 179.01 179.17 1umf h SER 254 N 0.00 1.10 0.23 1.42 0.02 -1.16 -2.42 113.55 112.73 1umf h SER 254 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1umf h SER 254 Cb 0.79 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1umf h SER 254 CO 0.00 0.94 0.00 -1.54 -1.14 0.00 0.00 176.83 175.09 1umf n SER 255 N -4.30 0.00 -0.67 3.07 3.41 -1.24 -1.73 113.62 112.16 1umf n SER 255 Ca 0.08 0.13 0.06 0.00 -0.26 0.00 0.00 58.87 58.88 1umf n SER 255 Cb 0.15 -0.29 0.15 0.00 -0.26 0.00 0.00 64.21 63.96 1umf n SER 255 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1umf n LEU 256 N -1.29 2.86 -4.78 1.04 4.77 -0.91 -5.00 117.00 113.68 1umf n LEU 256 Ca 0.05 -1.84 -0.22 0.00 -0.03 0.00 0.00 56.01 53.98 1umf n LEU 256 Cb 0.09 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1umf n LEU 256 CO 0.09 0.69 -0.18 -0.76 -1.33 0.00 0.00 177.39 175.90 1umf s LEU 257 N -1.00 3.56 0.11 2.23 1.02 -0.71 -5.13 118.68 118.76 1umf s LEU 257 Ca 0.24 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.95 1umf s LEU 257 Cb 0.13 -2.10 -0.04 0.00 0.02 0.00 0.00 46.19 44.20 1umf s LEU 257 CO 0.17 -0.15 0.12 -0.54 0.02 0.00 0.00 176.35 175.97 1umf s LYS 258 N -3.85 2.98 0.24 1.70 1.02 -1.26 -4.91 119.74 115.65 1umf s LYS 258 Ca 0.35 -0.71 -0.09 0.00 0.02 0.00 0.00 55.97 55.55 1umf s LYS 258 Cb -0.06 -2.75 0.39 0.00 -0.52 0.00 0.00 37.83 34.89 1umf s LYS 258 CO 0.24 0.54 1.62 0.78 -0.92 0.00 0.00 175.35 177.62 1umf h GLY 259 N 2.93 0.74 2.00 -3.33 0.00 -1.98 0.57 103.07 104.00 1umf h GLY 259 Ca -0.47 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1umf h GLY 259 CO 0.66 -0.29 0.00 -1.14 0.00 0.00 0.00 176.54 175.77 1umf n SER 260 N -5.40 0.58 -0.11 0.19 3.41 -1.26 -1.00 113.62 110.03 1umf n SER 260 Ca 0.12 0.74 -0.15 0.00 -0.26 0.00 0.00 58.87 59.33 1umf n SER 260 Cb 0.44 -0.83 -0.11 0.00 -0.26 0.00 0.00 64.21 63.46 1umf n SER 260 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1umf n GLU 261 N -2.25 0.61 -0.00 4.33 1.02 0.17 -4.74 120.64 119.77 1umf n GLU 261 Ca -0.01 0.12 -0.08 0.00 -0.02 0.00 0.00 57.16 57.17 1umf n GLU 261 Cb 0.07 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 29.98 1umf n GLU 261 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1umf h TYR 262 N 0.00 -0.10 -0.88 -0.32 5.03 -0.27 -3.47 116.97 116.95 1umf h TYR 262 Ca -0.49 -0.00 -0.73 0.00 2.58 0.00 0.00 58.73 60.09 1umf h TYR 262 Cb 1.79 0.03 0.03 0.00 1.55 0.00 0.00 36.73 40.14 1umf h TYR 262 CO 0.02 0.34 0.29 0.09 -1.32 0.00 0.00 178.16 177.58 1umf n ASN 263 N -4.81 0.45 -4.62 -2.11 4.13 -0.17 -4.77 115.26 103.37 1umf n ASN 263 Ca -0.06 1.03 -0.42 0.00 1.68 0.00 0.00 54.58 56.82 1umf n ASN 263 Cb 0.24 -0.79 -0.05 0.00 -1.54 0.00 0.00 39.78 37.63 1umf n ASN 263 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1umf s ASP 264 N 1.14 6.66 0.50 6.41 1.01 -1.26 -4.99 116.67 126.13 1umf s ASP 264 Ca 0.85 0.70 -0.12 0.00 0.71 0.00 0.00 52.55 54.70 1umf s ASP 264 Cb -1.20 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 40.27 1umf s ASP 264 CO 0.60 -0.57 0.90 -0.76 0.21 0.00 0.00 175.17 175.55 1umf s LEU 265 N 2.87 3.59 -0.05 1.23 2.01 -1.26 -4.89 118.68 122.18 1umf s LEU 265 Ca 0.31 1.30 0.00 0.00 0.01 0.00 0.00 54.13 55.75 1umf s LEU 265 Cb -0.14 -4.25 -0.03 0.00 0.01 0.00 0.00 46.19 41.78 1umf s LEU 265 CO 0.11 -0.60 -0.03 -0.04 1.01 0.00 0.00 176.35 176.81 1umf s MET 266 N -4.37 2.83 0.00 1.70 -1.94 -1.26 0.19 119.30 116.45 1umf s MET 266 Ca 0.54 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.00 1umf s MET 266 Cb -0.10 -2.68 0.00 0.00 2.01 0.00 0.00 34.83 34.06 1umf s MET 266 CO 0.39 0.67 0.00 -3.47 -0.01 0.00 0.00 175.02 172.59 1umf n ASP 267 N 1.96 0.00 -0.05 3.03 4.64 1.00 -4.84 116.55 122.29 1umf n ASP 267 Ca -0.17 0.00 -0.08 0.00 -1.38 0.00 0.00 54.79 53.15 1umf n ASP 267 Cb 0.53 0.00 0.08 0.00 -1.04 0.00 0.00 41.12 40.69 1umf n ASP 267 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 1umf h GLN 268 N 0.00 0.68 -1.31 -0.67 4.20 -2.00 -3.39 115.11 112.63 1umf h GLN 268 Ca 0.00 -0.33 -0.35 0.00 0.06 0.00 0.00 58.65 58.03 1umf h GLN 268 Cb 0.00 -0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.53 1umf h GLN 268 CO 0.00 0.94 -0.73 1.63 -0.67 0.00 0.00 178.83 180.00 1umf n LYS 269 N -4.05 0.53 0.00 1.46 5.02 -1.26 -5.13 118.16 114.72 1umf n LYS 269 Ca -0.01 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 53.80 1umf n LYS 269 Cb 0.50 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1umf n LYS 269 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1umf n GLY 270 N 2.36 2.09 3.82 0.72 0.00 -1.26 -5.09 105.19 107.83 1umf n GLY 270 Ca 0.20 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 1umf n GLY 270 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1umf s PHE 271 N -1.56 3.75 -0.80 1.61 0.40 -1.26 -0.00 117.98 120.12 1umf s PHE 271 Ca 0.00 1.26 0.21 0.00 -0.60 0.00 0.00 56.93 57.80 1umf s PHE 271 Cb 0.00 -2.50 0.85 0.00 0.51 0.00 0.00 43.02 41.88 1umf s PHE 271 CO 0.00 0.52 1.65 1.28 0.70 0.00 0.00 175.22 179.37 1umf n LEU 272 N 1.41 0.30 -3.59 -0.37 4.77 0.13 -4.82 117.00 114.84 1umf n LEU 272 Ca -0.08 0.56 -0.10 0.00 -0.03 0.00 0.00 56.01 56.36 1umf n LEU 272 Cb 0.51 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1umf n LEU 272 CO 0.42 -0.31 0.37 -0.94 -1.33 0.00 0.00 177.39 175.60 1umf s SER 273 N -3.57 -0.42 -0.45 -1.43 1.04 -1.26 -4.97 113.70 102.64 1umf s SER 273 Ca 0.08 -0.24 0.09 0.00 0.48 0.00 0.00 55.95 56.36 1umf s SER 273 Cb 0.11 0.61 0.37 0.00 0.10 0.00 0.00 66.02 67.21 1umf s SER 273 CO 0.38 -1.05 0.87 -3.20 0.98 0.00 0.00 173.24 171.22 1umf n ASN 274 N -0.37 2.61 0.23 7.02 5.15 -1.26 -4.80 115.26 123.84 1umf n ASN 274 Ca -0.13 -3.29 0.15 0.00 -0.60 0.00 0.00 54.58 50.71 1umf n ASN 274 Cb 0.63 -0.57 0.49 0.00 -0.53 0.00 0.00 39.78 39.80 1umf n ASN 274 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1umf h ARG 275 N 2.95 0.00 0.00 1.20 3.08 -1.97 -2.74 114.38 116.90 1umf h ARG 275 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1umf h ARG 275 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1umf h ARG 275 CO 0.65 0.00 0.00 0.77 -1.07 0.00 0.00 179.97 180.32 1umf h SER 276 N 0.00 0.00 -1.14 7.04 0.02 -1.88 0.36 113.55 117.95 1umf h SER 276 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1umf h SER 276 Cb 0.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1umf h SER 276 CO 0.00 0.00 -0.21 0.61 -1.14 0.00 0.00 176.83 176.09 1umf n GLY 277 N 0.33 0.08 2.42 -3.77 0.00 -1.03 -3.05 105.19 100.16 1umf n GLY 277 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1umf n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umf n GLY 278 N -1.06 1.65 3.07 -0.02 0.00 -0.75 -1.22 105.19 106.86 1umf n GLY 278 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1umf n GLY 278 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1umf s VAL 279 N -3.21 1.90 -0.12 1.61 1.01 -1.17 -0.85 120.40 119.56 1umf s VAL 279 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1umf s VAL 279 Cb 0.00 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1umf s VAL 279 CO 0.00 0.36 -0.11 -0.22 0.00 0.00 0.00 175.10 175.13 1umf s LEU 280 N 1.32 1.44 -0.94 3.92 2.96 0.04 -4.67 118.68 122.74 1umf s LEU 280 Ca 0.01 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1umf s LEU 280 Cb -0.15 -0.98 0.00 0.00 0.50 0.00 0.00 46.19 45.57 1umf s LEU 280 CO -0.10 -0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 1umf n GLY 281 N 4.72 1.03 1.47 7.98 0.00 -1.26 -2.32 105.19 116.82 1umf n GLY 281 Ca -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1umf n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umf n GLY 282 N -1.46 0.62 3.15 -0.02 0.00 -1.26 -5.01 105.19 101.21 1umf n GLY 282 Ca -0.09 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 1umf n GLY 282 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1umf s MET 283 N -0.40 0.77 0.36 1.61 -1.94 -0.98 -1.25 119.30 117.46 1umf s MET 283 Ca 0.00 -0.94 -0.28 0.00 -1.71 0.00 0.00 55.69 52.76 1umf s MET 283 Cb 0.00 -0.69 -0.11 0.00 2.01 0.00 0.00 34.83 36.04 1umf s MET 283 CO 0.00 0.15 1.46 -1.54 -0.01 0.00 0.00 175.02 175.08 1umf s SER 284 N -1.79 6.43 0.00 3.03 1.04 -0.20 -0.78 113.70 121.42 1umf s SER 284 Ca -0.03 2.97 0.16 0.00 0.48 0.00 0.00 55.95 59.53 1umf s SER 284 Cb -0.09 -2.66 0.26 0.00 0.10 0.00 0.00 66.02 63.63 1umf s SER 284 CO 0.02 -0.82 1.16 -0.46 0.98 0.00 0.00 173.24 174.12 1umf n ASN 285 N 0.70 2.76 0.00 7.02 6.94 -0.03 -1.40 115.26 131.25 1umf n ASN 285 Ca 0.01 -1.81 0.00 0.00 -0.02 0.00 0.00 54.58 52.77 1umf n ASN 285 Cb 0.40 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 1umf n ASN 285 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1umf n GLY 286 N 0.92 3.09 3.92 4.83 0.00 -1.26 -4.89 105.19 111.81 1umf n GLY 286 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1umf n GLY 286 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1umf s GLU 287 N -0.48 1.54 0.39 1.61 0.41 -1.26 -0.64 118.70 120.28 1umf s GLU 287 Ca 0.00 -0.22 -0.27 0.00 -0.41 0.00 0.00 54.97 54.07 1umf s GLU 287 Cb 0.00 -1.98 -0.11 0.00 -1.78 0.00 0.00 34.13 30.26 1umf s GLU 287 CO 0.00 -1.79 1.44 0.39 -0.49 0.00 0.00 175.26 174.81 1umf n GLU 288 N -3.36 2.48 -3.22 1.61 1.02 -1.26 -4.48 120.64 113.43 1umf n GLU 288 Ca 0.11 0.87 -0.40 0.00 -0.02 0.00 0.00 57.16 57.73 1umf n GLU 288 Cb 0.60 -2.61 -0.07 0.00 -0.02 0.00 0.00 31.44 29.35 1umf n GLU 288 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1umf s ILE 289 N -1.14 5.08 -0.13 -3.67 1.01 -0.93 -1.80 121.20 119.62 1umf s ILE 289 Ca 0.56 0.98 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1umf s ILE 289 Cb -0.48 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 1umf s ILE 289 CO 0.62 0.13 -0.14 -0.63 0.00 0.00 0.00 174.94 174.92 1umf s ILE 290 N 1.91 2.91 -0.03 2.92 -1.09 -0.36 -2.38 121.20 125.08 1umf s ILE 290 Ca 0.24 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1umf s ILE 290 Cb -0.16 -2.22 0.02 0.00 -1.58 0.00 0.00 42.46 38.52 1umf s ILE 290 CO 0.09 0.52 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.61 1umf s VAL 291 N 0.46 0.33 -0.14 2.92 1.01 0.20 -1.61 120.40 123.57 1umf s VAL 291 Ca -0.10 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1umf s VAL 291 Cb -0.16 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 1umf s VAL 291 CO 0.05 0.15 -0.17 -0.13 0.00 0.00 0.00 175.10 175.00 1umf s ARG 292 N 0.65 3.21 -0.16 2.72 0.52 0.07 -0.21 118.95 125.75 1umf s ARG 292 Ca -0.07 -0.77 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1umf s ARG 292 Cb -0.10 -2.55 0.01 0.00 0.52 0.00 0.00 34.95 32.82 1umf s ARG 292 CO -0.01 0.10 -0.18 0.08 0.02 0.00 0.00 175.30 175.31 1umf s VAL 293 N 0.61 2.40 -0.23 3.52 1.01 -0.46 0.06 120.40 127.31 1umf s VAL 293 Ca -0.09 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1umf s VAL 293 Cb -0.16 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1umf s VAL 293 CO 0.03 0.53 0.31 -1.00 0.00 0.00 0.00 175.10 174.97 1umf s HIS 294 N 0.93 3.33 -0.12 5.22 3.76 -0.51 -1.60 115.29 126.29 1umf s HIS 294 Ca -0.04 0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 55.31 1umf s HIS 294 Cb -0.15 -2.45 -0.02 0.00 1.11 0.00 0.00 32.58 31.07 1umf s HIS 294 CO -0.03 -0.02 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.70 1umf s PHE 295 N 1.35 2.93 0.95 1.40 0.40 -0.27 -0.95 117.98 123.78 1umf s PHE 295 Ca 0.15 -0.33 -0.14 0.00 -0.60 0.00 0.00 56.93 56.01 1umf s PHE 295 Cb -0.15 -1.86 0.16 0.00 0.51 0.00 0.00 43.02 41.69 1umf s PHE 295 CO 0.07 0.00 1.17 -1.59 0.70 0.00 0.00 175.22 175.57 1umf s LYS 296 N 0.06 0.82 0.37 0.44 -2.85 -0.28 -2.02 119.74 116.28 1umf s LYS 296 Ca -0.02 0.10 -0.25 0.00 -1.00 0.00 0.00 55.97 54.80 1umf s LYS 296 Cb -0.14 -1.82 -0.09 0.00 -2.06 0.00 0.00 37.83 33.72 1umf s LYS 296 CO 0.03 -2.38 1.04 -1.25 0.10 0.00 0.00 175.35 172.90 1umf s PRO 297 N -5.43 4.27 0.09 1.78 0.04 -1.26 -4.45 135.00 130.05 1umf s PRO 297 Ca 0.66 1.53 -0.36 0.00 0.04 0.00 0.00 61.00 62.87 1umf s PRO 297 Cb -0.12 -2.66 -0.17 0.00 0.04 0.00 0.00 34.50 31.60 1umf s PRO 297 CO 0.53 -0.05 1.27 2.41 0.04 0.00 0.00 177.00 181.21 1umf n THR 298 N 0.17 0.18 -0.18 1.26 -1.04 -1.26 -4.90 114.28 108.51 1umf n THR 298 Ca 0.04 -0.05 -0.07 0.00 -2.04 0.00 0.00 64.05 61.93 1umf n THR 298 Cb 0.49 -0.74 0.02 0.00 -1.82 0.00 0.00 70.33 68.28 1umf n THR 298 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1umf h PRO 299 N 4.16 0.73 -5.56 -2.82 0.11 -1.90 -3.41 132.00 123.31 1umf h PRO 299 Ca -0.47 -0.09 -0.63 0.00 0.11 0.00 0.00 66.00 64.92 1umf h PRO 299 Cb 1.35 -0.14 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 1umf h PRO 299 CO 0.75 0.58 0.20 0.45 -0.21 0.00 0.00 178.00 179.77 1umf s SER 300 N -5.84 6.45 0.09 -2.05 0.15 -1.26 -4.88 113.70 106.37 1umf s SER 300 Ca -0.13 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.76 1umf s SER 300 Cb 0.12 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1umf s SER 300 CO 0.76 -0.64 -0.16 0.27 1.20 0.00 0.00 173.24 174.68 1umf s ILE 301 N 2.81 1.30 0.26 6.45 -4.36 -1.26 -4.50 121.20 121.91 1umf s ILE 301 Ca 0.26 -1.48 -0.01 0.00 -0.26 0.00 0.00 60.65 59.16 1umf s ILE 301 Cb -0.14 -1.31 0.25 0.00 1.25 0.00 0.00 42.46 42.51 1umf s ILE 301 CO 0.15 -0.25 1.81 0.15 0.24 0.00 0.00 174.94 177.04 1umf h PHE 302 N 4.02 0.95 -2.90 1.37 -0.00 -1.76 -3.42 116.94 115.19 1umf h PHE 302 Ca -0.42 0.03 -0.57 0.00 -0.00 0.00 0.00 57.97 57.02 1umf h PHE 302 Cb 1.19 -0.29 0.19 0.00 -0.00 0.00 0.00 35.95 37.04 1umf h PHE 302 CO 0.63 0.35 -0.61 1.04 -0.00 0.00 0.00 178.31 179.72 1umf n GLN 303 N -4.73 0.27 -1.77 1.11 6.02 -0.59 -4.09 117.38 113.60 1umf n GLN 303 Ca 0.17 0.12 -0.41 0.00 -0.01 0.00 0.00 57.00 56.87 1umf n GLN 303 Cb 0.35 -1.63 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 1umf n GLN 303 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1umf n PRO 304 N -0.05 2.69 -4.45 -1.09 -0.02 -1.26 -4.53 135.00 126.29 1umf n PRO 304 Ca 0.09 0.95 -0.22 0.00 -2.02 0.00 0.00 63.50 62.30 1umf n PRO 304 Cb 0.49 -2.70 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 1umf n PRO 304 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1umf s GLN 305 N -1.54 1.66 0.04 -0.52 -0.21 -1.18 -4.98 119.66 112.93 1umf s GLN 305 Ca 0.57 -1.92 -0.12 0.00 0.02 0.00 0.00 55.36 53.91 1umf s GLN 305 Cb -0.48 -0.85 0.01 0.00 1.00 0.00 0.00 33.01 32.69 1umf s GLN 305 CO 0.58 -0.20 0.26 1.03 -2.12 0.00 0.00 175.29 174.85 1umf s ARG 306 N -3.89 0.76 0.00 2.91 0.52 -1.26 -3.76 118.95 114.23 1umf s ARG 306 Ca 0.36 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 1umf s ARG 306 Cb 0.09 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.88 1umf s ARG 306 CO 0.15 -0.23 0.00 -2.37 0.02 0.00 0.00 175.30 172.87 1umf n THR 307 N 0.64 0.00 -3.56 0.02 5.66 -1.26 -4.49 114.28 111.30 1umf n THR 307 Ca -0.19 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.75 1umf n THR 307 Cb 0.59 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.35 1umf n THR 307 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1umf s ILE 308 N 0.00 0.00 0.00 1.09 2.07 -1.26 -5.06 121.20 118.04 1umf s ILE 308 Ca 0.00 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 1umf s ILE 308 Cb 0.00 -1.13 0.00 0.00 0.13 0.00 0.00 42.46 41.46 1umf s ILE 308 CO 0.00 0.00 0.00 -0.90 -1.91 0.00 0.00 174.94 172.13 1umf n ASP 309 N -0.22 0.31 0.04 4.50 5.75 -1.26 -1.92 116.55 123.74 1umf n ASP 309 Ca -0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.53 1umf n ASP 309 Cb 0.61 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.58 1umf n ASP 309 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1umf h ILE 310 N 0.00 1.34 -0.52 2.12 2.04 -1.87 -3.31 117.51 117.32 1umf h ILE 310 Ca 0.00 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.62 1umf h ILE 310 Cb 0.00 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1umf h ILE 310 CO 0.00 0.68 0.00 0.59 0.00 0.00 0.00 178.15 179.42 1umf n ASN 311 N -3.99 4.77 -2.32 1.72 3.02 -1.26 -4.90 115.26 112.31 1umf n ASN 311 Ca -0.12 -2.65 -0.20 0.00 -0.03 0.00 0.00 54.58 51.59 1umf n ASN 311 Cb 0.83 -0.62 -0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1umf n ASN 311 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1umf n GLY 312 N 0.72 -0.43 0.00 7.41 0.00 -1.24 -4.98 105.19 106.66 1umf n GLY 312 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1umf n GLY 312 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1umf n ASN 313 N -1.80 0.00 -4.37 1.61 5.03 -1.26 -4.90 115.26 109.57 1umf n ASN 313 Ca -0.21 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 54.92 1umf n ASN 313 Cb 0.66 0.00 -0.15 0.00 -1.02 0.00 0.00 39.78 39.28 1umf n ASN 313 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1umf s GLU 314 N 2.87 2.98 0.24 3.52 0.41 -1.26 -4.52 118.70 122.93 1umf s GLU 314 Ca 0.00 -0.74 -0.15 0.00 -0.41 0.00 0.00 54.97 53.67 1umf s GLU 314 Cb 0.00 -2.46 0.01 0.00 -1.78 0.00 0.00 34.13 29.90 1umf s GLU 314 CO 0.00 0.35 0.53 0.00 -0.49 0.00 0.00 175.26 175.65 1umf s GLU 316 N -3.97 2.19 -0.07 0.00 2.12 -1.26 -4.93 118.70 112.78 1umf s GLU 316 Ca 0.17 -1.22 0.20 0.00 0.36 0.00 0.00 54.97 54.49 1umf s GLU 316 Cb -0.02 -2.23 0.41 0.00 0.26 0.00 0.00 34.13 32.55 1umf s GLU 316 CO 0.06 0.44 1.18 0.00 -0.54 0.00 0.00 175.26 176.40 1umf n LEU 318 N -0.04 4.60 -4.58 0.00 -0.00 -1.26 -3.11 117.00 112.61 1umf n LEU 318 Ca 0.10 -3.34 -0.41 0.00 -0.00 0.00 0.00 56.01 52.36 1umf n LEU 318 Cb 0.98 -1.43 -0.03 0.00 -0.00 0.00 0.00 43.42 42.95 1umf n LEU 318 CO -0.04 -0.26 1.82 -0.76 -0.00 0.00 0.00 177.39 178.15 1umf s LEU 319 N 3.64 3.43 0.71 -1.96 1.43 -1.26 -4.90 118.68 119.77 1umf s LEU 319 Ca 0.57 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.98 1umf s LEU 319 Cb 0.10 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 43.18 1umf s LEU 319 CO 0.07 -2.20 1.10 -0.54 0.23 0.00 0.00 176.35 175.01 1umf s LYS 320 N 6.79 2.58 0.11 1.70 3.01 -1.26 -4.43 119.74 128.24 1umf s LYS 320 Ca 0.93 1.25 0.00 0.00 -1.01 0.00 0.00 55.97 57.14 1umf s LYS 320 Cb -0.25 -1.93 0.00 0.00 -1.01 0.00 0.00 37.83 34.64 1umf s LYS 320 CO 0.31 -1.40 0.00 0.41 0.51 0.00 0.00 175.35 175.18 1umf n GLY 321 N -0.96 -2.85 3.66 -3.33 0.00 -1.26 -4.08 105.19 96.37 1umf n GLY 321 Ca 0.09 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 1umf n GLY 321 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1umf s ARG 322 N -3.58 0.65 0.06 1.61 3.00 -1.26 -4.47 118.95 114.95 1umf s ARG 322 Ca 0.00 0.89 -0.09 0.00 0.00 0.00 0.00 55.73 56.53 1umf s ARG 322 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 34.95 33.22 1umf s ARG 322 CO 0.00 -2.68 0.19 -1.01 0.00 0.00 0.00 175.30 171.81 1umf s HIS 323 N -2.79 0.08 -0.23 -0.53 3.76 -1.26 -4.89 115.29 109.43 1umf s HIS 323 Ca 0.65 -0.38 -0.35 0.00 -0.15 0.00 0.00 55.06 54.84 1umf s HIS 323 Cb -0.20 -0.04 -0.11 0.00 1.11 0.00 0.00 32.58 33.34 1umf s HIS 323 CO 0.59 -0.47 2.02 -3.47 -0.85 0.00 0.00 174.74 172.56 1umf n ASP 324 N 0.43 2.80 0.21 1.40 -0.08 -1.26 -4.85 116.55 115.21 1umf n ASP 324 Ca -0.18 0.69 0.14 0.00 -1.51 0.00 0.00 54.79 53.94 1umf n ASP 324 Cb 0.60 -1.32 0.45 0.00 2.34 0.00 0.00 41.12 43.19 1umf n ASP 324 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1umf h PRO 325 N 10.81 0.00 -0.97 -0.67 0.13 -1.92 -3.43 132.00 135.96 1umf h PRO 325 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1umf h PRO 325 Cb 1.29 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.22 1umf h PRO 325 CO 0.98 0.00 -0.41 0.00 -0.23 0.00 0.00 178.00 178.34 1umf h ILE 327 N 5.38 0.00 -0.33 0.00 3.07 -1.82 -2.84 117.51 120.97 1umf h ILE 327 Ca 0.02 -0.09 -0.00 0.00 1.55 0.00 0.00 64.86 66.34 1umf h ILE 327 Cb 1.19 0.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.52 1umf h ILE 327 CO 0.11 0.00 0.19 0.00 -1.05 0.00 0.00 178.15 177.40 1umf h ALA 328 N 2.05 1.72 0.84 0.16 0.00 -1.89 0.17 119.26 122.31 1umf h ALA 328 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1umf h ALA 328 Cb 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1umf h ALA 328 CO 0.00 0.25 -0.41 0.82 0.00 0.00 0.00 179.25 179.91 1umf h ILE 329 N 0.45 0.00 0.00 0.00 2.04 -1.86 -0.35 117.51 117.79 1umf h ILE 329 Ca 0.12 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1umf h ILE 329 Cb -0.00 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1umf h ILE 329 CO -0.02 0.00 -0.15 0.03 0.00 0.00 0.00 178.15 178.00 1umf h ARG 330 N -1.21 0.00 -0.16 2.37 3.08 -1.75 -2.88 114.38 113.83 1umf h ARG 330 Ca -0.12 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1umf h ARG 330 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1umf h ARG 330 CO 0.19 0.15 -0.29 0.78 -1.07 0.00 0.00 179.97 179.73 1umf h GLY 331 N 1.85 0.33 1.24 0.04 0.00 -0.36 -3.01 103.07 103.18 1umf h GLY 331 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1umf h GLY 331 CO 0.02 0.25 0.29 1.48 0.00 0.00 0.00 176.54 178.58 1umf h SER 332 N 0.27 0.89 -0.56 0.19 4.64 -0.83 -1.03 113.55 117.12 1umf h SER 332 Ca 0.04 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 1umf h SER 332 Cb 0.66 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1umf h SER 332 CO 0.05 0.77 0.01 0.58 -0.87 0.00 0.00 176.83 177.37 1umf h VAL 333 N 0.96 1.26 -0.57 0.95 2.07 -1.65 -2.13 116.25 117.14 1umf h VAL 333 Ca 0.23 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.53 1umf h VAL 333 Cb 0.15 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1umf h VAL 333 CO -0.02 0.40 -0.07 0.58 0.02 0.00 0.00 177.57 178.47 1umf h VAL 334 N 0.87 1.27 -0.72 2.57 2.07 -1.41 -2.44 116.25 118.46 1umf h VAL 334 Ca 0.16 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1umf h VAL 334 Cb 0.53 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1umf h VAL 334 CO 0.03 0.44 0.38 0.00 0.02 0.00 0.00 177.57 178.44 1umf h GLU 336 N 1.00 0.28 -0.85 0.00 4.81 -1.12 0.86 114.58 119.56 1umf h GLU 336 Ca 0.25 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1umf h GLU 336 Cb 0.05 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1umf h GLU 336 CO -0.04 0.22 0.47 0.77 -0.73 0.00 0.00 179.01 179.70 1umf h SER 337 N 0.25 1.06 -0.45 1.04 0.02 -0.92 -1.20 113.55 113.36 1umf h SER 337 Ca 0.07 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1umf h SER 337 Cb 0.01 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 1umf h SER 337 CO -0.01 0.85 0.01 -0.07 -1.14 0.00 0.00 176.83 176.47 1umf h LEU 338 N 1.18 0.83 -0.70 5.07 3.38 -0.55 -0.66 115.31 123.87 1umf h LEU 338 Ca 0.30 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1umf h LEU 338 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1umf h LEU 338 CO -0.05 0.89 -0.01 0.25 0.09 0.00 0.00 178.44 179.60 1umf h LEU 339 N 0.80 0.97 -0.72 1.67 5.85 -0.30 -1.03 115.31 122.54 1umf h LEU 339 Ca 0.15 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1umf h LEU 339 Cb 0.47 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1umf h LEU 339 CO 0.02 1.03 0.33 0.00 -0.34 0.00 0.00 178.44 179.48 1umf h ALA 340 N 1.07 0.93 -0.45 1.25 0.00 -0.64 -1.14 119.26 120.27 1umf h ALA 340 Ca 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1umf h ALA 340 Cb 0.55 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1umf h ALA 340 CO 0.03 0.51 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 1umf h LEU 341 N 1.01 0.78 0.10 0.00 3.38 -0.79 -0.81 115.31 118.97 1umf h LEU 341 Ca 0.25 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1umf h LEU 341 Cb 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1umf h LEU 341 CO -0.03 0.89 -0.05 0.58 0.09 0.00 0.00 178.44 179.93 1umf h VAL 342 N 0.64 1.05 -0.98 1.22 2.07 -1.02 -1.64 116.25 117.60 1umf h VAL 342 Ca 0.13 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1umf h VAL 342 Cb 0.49 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1umf h VAL 342 CO 0.02 0.13 0.64 -0.07 0.02 0.00 0.00 177.57 178.32 1umf h LEU 343 N -0.38 1.09 -0.51 2.57 4.07 -1.21 0.19 115.31 121.12 1umf h LEU 343 Ca -0.01 -0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.80 1umf h LEU 343 Cb 0.32 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1umf h LEU 343 CO 0.02 0.76 -0.17 0.00 -1.08 0.00 0.00 178.44 177.97 1umf h ALA 344 N 1.42 0.71 -0.14 1.53 0.00 -1.12 0.15 119.26 121.81 1umf h ALA 344 Ca 0.38 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1umf h ALA 344 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1umf h ALA 344 CO -0.10 0.68 0.07 0.22 0.00 0.00 0.00 179.25 180.11 1umf h ASP 345 N 0.89 0.11 -0.58 0.00 -0.00 -0.28 -2.01 116.42 114.56 1umf h ASP 345 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.15 1umf h ASP 345 Cb 0.75 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 40.03 1umf h ASP 345 CO 0.06 0.09 0.34 0.24 -0.00 0.00 0.00 179.24 179.97 1umf h MET 346 N 0.16 0.81 -0.50 0.28 2.86 -0.31 -1.55 114.93 116.69 1umf h MET 346 Ca 0.05 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1umf h MET 346 Cb 0.00 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1umf h MET 346 CO -0.03 0.59 0.09 0.28 1.06 0.00 0.00 176.91 178.90 1umf h VAL 347 N 0.83 1.22 -0.08 -2.22 2.07 -0.25 -1.77 116.25 116.05 1umf h VAL 347 Ca 0.21 -0.82 -0.16 0.00 0.82 0.00 0.00 66.70 66.75 1umf h VAL 347 Cb -0.00 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1umf h VAL 347 CO -0.04 0.30 -0.57 -0.07 0.02 0.00 0.00 177.57 177.21 1umf h LEU 348 N 0.74 0.65 -1.67 2.57 3.38 -0.73 -3.26 115.31 116.98 1umf h LEU 348 Ca 0.16 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 1umf h LEU 348 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1umf h LEU 348 CO 0.00 1.21 -0.19 -0.07 0.09 0.00 0.00 178.44 179.49 1umf h LEU 349 N 0.13 0.00 -0.72 1.67 3.38 -1.16 -2.73 115.31 115.88 1umf h LEU 349 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1umf h LEU 349 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1umf h LEU 349 CO 0.12 0.19 0.00 -1.13 0.09 0.00 0.00 178.44 177.71 1umf h ASN 350 N 0.00 0.00 0.19 -0.43 -1.24 -1.36 -3.14 115.58 109.60 1umf h ASN 350 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1umf h ASN 350 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1umf h ASN 350 CO 0.02 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.34 1umf n LEU 351 N -2.58 0.46 -0.09 0.34 4.77 -1.03 -1.82 117.00 117.05 1umf n LEU 351 Ca 0.02 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 1umf n LEU 351 Cb 0.32 -0.71 0.15 0.00 -2.33 0.00 0.00 43.42 40.85 1umf n LEU 351 CO 0.25 -0.76 0.34 0.35 -1.33 0.00 0.00 177.39 176.25 1umf n THR 352 N -2.09 0.00 -0.10 -5.08 -2.24 -1.19 -4.62 114.28 98.96 1umf n THR 352 Ca -0.00 -0.05 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1umf n THR 352 Cb 0.08 0.58 0.01 0.00 -2.10 0.00 0.00 70.33 68.90 1umf n THR 352 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1umf h SER 353 N 0.46 0.14 -4.25 3.42 0.02 -1.58 -3.44 113.55 108.33 1umf h SER 353 Ca 0.00 0.04 -0.69 0.00 -0.84 0.00 0.00 61.79 60.29 1umf h SER 353 Cb 0.53 0.02 -0.26 0.00 0.14 0.00 0.00 62.40 62.83 1umf h SER 353 CO 0.00 0.12 -0.82 -0.54 -1.14 0.00 0.00 176.83 174.45 1umf s LYS 354 N -6.16 2.34 0.49 3.45 1.02 -1.26 -5.00 119.74 114.62 1umf s LYS 354 Ca -0.13 -0.79 0.21 0.00 0.02 0.00 0.00 55.97 55.28 1umf s LYS 354 Cb 0.12 -2.24 1.26 0.00 -0.52 0.00 0.00 37.83 36.44 1umf s LYS 354 CO 0.71 0.60 1.99 0.97 -0.92 0.00 0.00 175.35 178.70 1umf h ILE 355 N 4.39 0.79 0.00 2.17 6.09 -1.96 0.16 117.51 129.15 1umf h ILE 355 Ca -0.45 -0.05 -0.01 0.00 -1.37 0.00 0.00 64.86 62.98 1umf h ILE 355 Cb 1.14 0.63 -0.00 0.00 0.47 0.00 0.00 36.82 39.05 1umf h ILE 355 CO 0.49 0.03 -0.05 1.05 -3.07 0.00 0.00 178.15 176.60 1umf h GLU 356 N 0.15 0.00 -0.28 2.19 4.11 -1.98 -1.23 114.58 117.54 1umf h GLU 356 Ca 0.26 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.60 1umf h GLU 356 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1umf h GLU 356 CO -0.04 0.05 -0.21 1.88 0.07 0.00 0.00 179.01 180.76 1umf h TYR 357 N 0.00 0.74 -0.23 2.06 0.99 -0.99 -0.87 116.97 118.67 1umf h TYR 357 Ca -0.00 -0.21 -0.02 0.00 2.00 0.00 0.00 58.73 60.50 1umf h TYR 357 Cb 0.13 -0.16 -0.01 0.00 1.00 0.00 0.00 36.73 37.69 1umf h TYR 357 CO 0.00 0.91 0.06 -0.07 -0.00 0.00 0.00 178.16 179.06 1umf h LEU 358 N 0.37 0.35 -0.74 3.88 4.07 -1.31 -1.94 115.31 119.98 1umf h LEU 358 Ca 0.05 -0.22 0.02 0.00 0.08 0.00 0.00 57.88 57.81 1umf h LEU 358 Cb 0.75 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.36 1umf h LEU 358 CO 0.06 0.48 0.48 0.11 -1.08 0.00 0.00 178.44 178.48 1umf h LYS 359 N 0.20 0.94 -0.19 1.13 1.57 -1.28 0.12 116.57 119.06 1umf h LYS 359 Ca 0.07 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1umf h LYS 359 Cb 0.26 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1umf h LYS 359 CO -0.00 0.62 0.10 1.15 -0.57 0.00 0.00 179.45 180.75 1umf h THR 360 N 0.97 1.11 -0.27 -0.16 2.02 -0.98 0.35 112.91 115.96 1umf h THR 360 Ca 0.28 -0.32 -0.19 0.00 0.77 0.00 0.00 66.41 66.95 1umf h THR 360 Cb -0.07 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1umf h THR 360 CO -0.08 0.11 -0.58 0.40 0.37 0.00 0.00 175.52 175.74 1umf h ILE 361 N 0.19 1.27 0.04 3.11 2.04 -1.12 -2.66 117.51 120.38 1umf h ILE 361 Ca 0.07 -1.76 -0.24 0.00 1.00 0.00 0.00 64.86 63.92 1umf h ILE 361 Cb 0.09 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1umf h ILE 361 CO -0.01 0.57 -1.30 1.88 0.00 0.00 0.00 178.15 179.29 1umf h TYR 362 N 0.66 0.15 0.00 1.37 0.05 -0.76 -3.41 116.97 115.03 1umf h TYR 362 Ca 0.01 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1umf h TYR 362 Cb 1.19 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1umf h TYR 362 CO 0.07 1.51 -0.67 0.09 -1.05 0.00 0.00 178.16 178.12 1umf n ASN 363 N -4.21 0.65 -2.50 3.88 3.02 0.12 -4.17 115.26 112.05 1umf n ASN 363 Ca -0.29 0.02 -0.33 0.00 -0.03 0.00 0.00 54.58 53.95 1umf n ASN 363 Cb 0.76 0.27 0.04 0.00 -0.61 0.00 0.00 39.78 40.24 1umf n ASN 363 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1umf n GLU 364 N -1.99 3.04 0.00 3.52 1.02 -0.95 -4.99 120.64 120.28 1umf n GLU 364 Ca 0.03 -3.79 0.00 0.00 -0.02 0.00 0.00 57.16 53.38 1umf n GLU 364 Cb 0.42 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 1umf n GLU 364 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60