#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mof s SER 0 N 0.00 6.28 0.03 1.61 1.04 -1.26 -3.94 113.70 117.45 3mof s SER 0 Ca 0.00 0.47 -0.30 0.00 0.48 0.00 0.00 55.95 56.59 3mof s SER 0 Cb 0.00 -2.02 -0.06 0.00 0.10 0.00 0.00 66.02 64.03 3mof s SER 0 CO 0.00 -0.33 1.40 -0.32 0.98 0.00 0.00 173.24 174.98 3mof s MET 1 N -4.35 4.29 0.07 4.02 1.75 -1.26 -4.98 119.30 118.84 3mof s MET 1 Ca 0.41 2.00 -0.32 0.00 -1.25 0.00 0.00 55.69 56.53 3mof s MET 1 Cb -0.10 -3.49 -0.11 0.00 2.84 0.00 0.00 34.83 33.97 3mof s MET 1 CO 0.37 -0.54 1.85 -0.35 -0.65 0.00 0.00 175.02 175.69 3mof n PRO 2 N 4.99 2.61 -1.47 4.11 -0.04 -1.26 -4.95 135.00 139.00 3mof n PRO 2 Ca 0.13 0.95 -0.37 0.00 -0.04 0.00 0.00 63.50 64.17 3mof n PRO 2 Cb 0.43 -2.84 0.05 0.00 -0.04 0.00 0.00 33.50 31.11 3mof n PRO 2 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3mof n PRO 3 N 5.97 0.56 -3.52 0.54 -0.02 -1.26 -4.72 135.00 132.56 3mof n PRO 3 Ca 0.19 0.23 -0.14 0.00 -2.02 0.00 0.00 63.50 61.76 3mof n PRO 3 Cb 0.35 -1.87 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 3mof n PRO 3 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3mof s GLN 4 N -2.45 1.12 0.00 -0.52 -2.07 -1.26 -5.00 119.66 109.48 3mof s GLN 4 Ca 0.70 -0.25 0.22 0.00 -1.82 0.00 0.00 55.36 54.21 3mof s GLN 4 Cb -0.41 0.52 -0.06 0.00 -1.09 0.00 0.00 33.01 31.97 3mof s GLN 4 CO 0.53 -0.43 1.01 1.28 -1.32 0.00 0.00 175.29 176.36 3mof n LEU 5 N 0.20 0.86 0.00 2.60 4.77 -1.26 -4.98 117.00 119.19 3mof n LEU 5 Ca -0.18 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 3mof n LEU 5 Cb 0.61 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3mof n LEU 5 CO 0.18 0.21 0.00 1.41 -1.33 0.00 0.00 177.39 177.86 3mof n HIS 6 N -1.53 0.00 -2.38 -1.77 8.25 -1.26 -5.09 115.22 111.44 3mof n HIS 6 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.53 3mof n HIS 6 Cb 0.34 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.51 3mof n HIS 6 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3mof n ASN 7 N 0.00 1.37 -0.80 0.41 5.15 -1.26 -4.91 115.26 115.22 3mof n ASN 7 Ca 0.00 -2.40 0.11 0.00 -0.60 0.00 0.00 54.58 51.69 3mof n ASN 7 Cb 0.00 -0.37 0.07 0.00 -0.53 0.00 0.00 39.78 38.96 3mof n ASN 7 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mof n GLY 8 N 0.00 0.64 0.06 8.20 0.00 -1.26 -4.56 105.19 108.28 3mof n GLY 8 Ca 0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 3mof n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mof n LEU 9 N 1.00 1.74 -4.62 0.99 4.32 -1.26 -4.93 117.00 114.24 3mof n LEU 9 Ca 0.12 -0.04 -0.43 0.00 -0.02 0.00 0.00 56.01 55.64 3mof n LEU 9 Cb 0.52 -0.17 -0.02 0.00 -1.62 0.00 0.00 43.42 42.13 3mof n LEU 9 CO 0.16 0.54 0.96 -0.62 -1.22 0.00 0.00 177.39 177.21 3mof s ASP 10 N -4.94 6.78 -0.02 -1.43 2.15 -1.26 -4.89 116.67 113.06 3mof s ASP 10 Ca -0.13 0.75 0.13 0.00 0.43 0.00 0.00 52.55 53.73 3mof s ASP 10 Cb 0.04 -2.53 0.41 0.00 -0.30 0.00 0.00 42.92 40.53 3mof s ASP 10 CO 0.38 -1.02 1.32 0.49 -0.17 0.00 0.00 175.17 176.16 3mof n PHE 11 N 7.24 0.68 -0.30 -5.34 3.72 -1.26 -4.54 117.46 117.65 3mof n PHE 11 Ca 0.11 -0.32 0.15 0.00 -0.05 0.00 0.00 57.45 57.35 3mof n PHE 11 Cb 0.48 -0.04 0.41 0.00 -0.94 0.00 0.00 39.48 39.38 3mof n PHE 11 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3mof h SER 12 N 2.59 0.61 0.68 4.37 0.02 -1.99 -0.88 113.55 118.95 3mof h SER 12 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3mof h SER 12 Cb 0.70 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3mof h SER 12 CO 0.04 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.97 3mof n ALA 13 N -2.43 1.68 0.19 3.77 0.00 -1.26 -2.40 120.51 120.06 3mof n ALA 13 Ca 0.21 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.79 3mof n ALA 13 Cb 0.61 -1.35 0.19 0.00 0.00 0.00 0.00 19.45 18.90 3mof n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mof n LYS 14 N -2.04 2.34 -2.95 0.00 5.02 -0.34 -4.93 118.16 115.25 3mof n LYS 14 Ca 0.03 -2.14 -0.42 0.00 -2.02 0.00 0.00 58.31 53.75 3mof n LYS 14 Cb 0.22 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 3mof n LYS 14 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mof s VAL 15 N -1.30 4.78 -0.95 -0.18 1.01 -1.01 -1.41 120.40 121.34 3mof s VAL 15 Ca 0.34 1.10 0.21 0.00 0.00 0.00 0.00 61.98 63.63 3mof s VAL 15 Cb 0.20 -4.16 -0.22 0.00 0.00 0.00 0.00 36.38 32.20 3mof s VAL 15 CO 0.27 -0.30 0.92 2.30 0.00 0.00 0.00 175.10 178.29 3mof n ILE 16 N 5.60 0.00 -3.77 2.22 -5.35 0.62 -4.84 119.36 113.85 3mof n ILE 16 Ca 0.03 -0.02 -0.13 0.00 -0.27 0.00 0.00 62.75 62.36 3mof n ILE 16 Cb 0.48 0.90 -0.13 0.00 -1.74 0.00 0.00 39.64 39.15 3mof n ILE 16 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3mof s GLN 17 N -3.02 0.18 0.91 6.28 0.74 -1.23 -4.99 119.66 118.52 3mof s GLN 17 Ca 0.07 0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.86 3mof s GLN 17 Cb 0.16 -0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.22 3mof s GLN 17 CO 0.86 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.90 3mof n GLY 18 N 3.73 -1.59 3.37 2.59 0.00 -1.26 -1.27 105.19 110.76 3mof n GLY 18 Ca -0.21 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 3mof n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mof s SER 19 N -4.00 -0.60 0.38 1.61 0.15 -1.26 -5.00 113.70 104.97 3mof s SER 19 Ca 0.00 1.07 0.08 0.00 0.70 0.00 0.00 55.95 57.80 3mof s SER 19 Cb 0.00 1.04 0.74 0.00 -1.71 0.00 0.00 66.02 66.09 3mof s SER 19 CO 0.00 -0.21 1.91 -0.07 1.20 0.00 0.00 173.24 176.07 3mof h LEU 20 N 7.26 0.29 -1.50 3.45 3.38 -1.93 -2.69 115.31 123.56 3mof h LEU 20 Ca -0.32 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.62 3mof h LEU 20 Cb 1.18 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3mof h LEU 20 CO 0.24 0.42 0.36 0.44 0.09 0.00 0.00 178.44 179.99 3mof h ASP 21 N 0.29 0.57 1.26 -0.43 5.19 -1.96 -0.69 116.42 120.64 3mof h ASP 21 Ca 0.06 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.37 3mof h ASP 21 Cb 0.36 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 3mof h ASP 21 CO 0.02 0.40 -0.41 0.28 -3.12 0.00 0.00 179.24 176.40 3mof h SER 22 N 0.66 0.00 -4.08 6.45 0.02 -1.77 -0.99 113.55 113.84 3mof h SER 22 Ca 0.21 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.66 3mof h SER 22 Cb 0.04 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.66 3mof h SER 22 CO -0.05 0.41 0.44 -0.76 -1.14 0.00 0.00 176.83 175.73 3mof s LEU 23 N -6.64 3.75 0.61 5.07 1.43 -1.05 -4.71 118.68 117.13 3mof s LEU 23 Ca 0.03 2.22 -0.19 0.00 -1.03 0.00 0.00 54.13 55.15 3mof s LEU 23 Cb 0.09 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 3mof s LEU 23 CO 0.71 -1.27 1.26 -2.84 0.23 0.00 0.00 176.35 174.45 3mof s PRO 24 N -3.27 2.85 0.20 1.29 0.02 -1.26 -0.54 135.00 134.29 3mof s PRO 24 Ca 0.73 1.97 -0.10 0.00 0.02 0.00 0.00 61.00 63.62 3mof s PRO 24 Cb -0.25 -1.95 0.20 0.00 0.02 0.00 0.00 34.50 32.52 3mof s PRO 24 CO 0.28 -1.34 1.81 0.37 -0.33 0.00 0.00 177.00 177.79 3mof h GLN 25 N 0.85 0.66 -0.04 5.54 5.75 -1.94 0.32 115.11 126.25 3mof h GLN 25 Ca -0.51 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 57.85 3mof h GLN 25 Cb 1.31 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 3mof h GLN 25 CO 0.55 0.43 -0.47 0.93 -2.65 0.00 0.00 178.83 177.63 3mof h GLU 26 N 0.68 0.09 -0.34 1.69 4.39 -1.94 -2.00 114.58 117.14 3mof h GLU 26 Ca 0.28 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 3mof h GLU 26 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3mof h GLU 26 CO -0.16 0.54 0.02 0.28 -1.16 0.00 0.00 179.01 178.52 3mof h VAL 27 N 0.07 1.25 -0.33 3.13 2.07 -1.46 -1.78 116.25 119.20 3mof h VAL 27 Ca 0.00 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.61 3mof h VAL 27 Cb 0.85 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3mof h VAL 27 CO 0.06 0.31 0.18 -0.09 0.02 0.00 0.00 177.57 178.05 3mof h ARG 28 N 0.41 0.35 -0.61 1.57 2.43 -0.73 -0.61 114.38 117.19 3mof h ARG 28 Ca 0.10 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 3mof h ARG 28 Cb 0.42 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 3mof h ARG 28 CO 0.01 0.23 0.30 0.87 -1.51 0.00 0.00 179.97 179.87 3mof h LYS 29 N 0.36 0.53 -0.11 0.20 1.57 -1.32 0.28 116.57 118.08 3mof h LYS 29 Ca 0.14 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3mof h LYS 29 Cb 0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3mof h LYS 29 CO -0.08 0.35 0.07 0.35 -0.57 0.00 0.00 179.45 179.56 3mof h PHE 30 N 0.54 0.14 0.26 -1.35 3.57 -0.90 0.55 116.94 119.76 3mof h PHE 30 Ca 0.29 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 3mof h PHE 30 Cb 0.25 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3mof h PHE 30 CO -0.11 0.13 -0.13 0.28 -2.23 0.00 0.00 178.31 176.25 3mof h VAL 31 N 0.11 0.78 -0.40 1.41 2.07 -0.41 -2.38 116.25 117.45 3mof h VAL 31 Ca 0.04 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3mof h VAL 31 Cb 0.03 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3mof h VAL 31 CO -0.01 0.07 0.04 -0.33 0.02 0.00 0.00 177.57 177.36 3mof h GLU 32 N -0.51 0.67 -0.81 1.57 5.08 -0.49 0.25 114.58 120.35 3mof h GLU 32 Ca -0.04 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3mof h GLU 32 Cb 0.38 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3mof h GLU 32 CO 0.06 0.74 0.53 0.78 -1.00 0.00 0.00 179.01 180.12 3mof h GLY 33 N 0.51 1.15 2.00 -3.84 0.00 -0.95 -0.81 103.07 101.14 3mof h GLY 33 Ca 0.12 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.89 3mof h GLY 33 CO 0.01 0.38 -0.70 3.43 0.00 0.00 0.00 176.54 179.67 3mof h ASN 34 N 1.06 0.00 -0.99 0.19 2.35 -1.22 -2.27 115.58 114.70 3mof h ASN 34 Ca 0.31 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.07 3mof h ASN 34 Cb -0.07 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 3mof h ASN 34 CO -0.08 0.70 0.65 0.00 -1.65 0.00 0.00 177.43 177.04 3mof h ALA 35 N 1.30 1.26 -0.72 -0.83 0.00 -0.08 0.82 119.26 121.01 3mof h ALA 35 Ca -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3mof h ALA 35 Cb 1.35 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3mof h ALA 35 CO 0.09 0.66 0.27 1.96 0.00 0.00 0.00 179.25 182.23 3mof h GLN 36 N 1.35 1.09 0.03 0.00 4.20 -0.98 0.52 115.11 121.32 3mof h GLN 36 Ca 0.36 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3mof h GLN 36 Cb -0.14 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.47 3mof h GLN 36 CO -0.08 0.91 -0.01 1.25 -0.67 0.00 0.00 178.83 180.23 3mof h LEU 37 N 1.04 -0.04 0.00 1.46 5.85 -1.19 -3.36 115.31 119.09 3mof h LEU 37 Ca 0.24 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3mof h LEU 37 Cb 0.24 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3mof h LEU 37 CO -0.02 0.56 -0.35 0.00 -0.34 0.00 0.00 178.44 178.29 3mof n GLN 39 N -2.81 -6.43 -1.41 0.00 6.02 0.17 -1.18 117.38 111.74 3mof n GLN 39 Ca 0.03 0.72 -0.34 0.00 -0.01 0.00 0.00 57.00 57.39 3mof n GLN 39 Cb 0.52 -5.63 0.10 0.00 1.02 0.00 0.00 30.24 26.25 3mof n GLN 39 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3mof s PRO 40 N -6.24 2.09 0.18 -1.09 0.04 -1.25 -3.26 135.00 125.47 3mof s PRO 40 Ca 0.44 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 3mof s PRO 40 Cb -0.21 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.59 3mof s PRO 40 CO 0.78 -1.89 1.46 1.49 0.04 0.00 0.00 177.00 178.88 3mof h GLU 41 N -0.30 0.44 -4.18 4.56 4.81 -0.78 -3.46 114.58 115.67 3mof h GLU 41 Ca -0.48 -0.33 -0.13 0.00 -0.13 0.00 0.00 59.36 58.29 3mof h GLU 41 Cb 1.30 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 30.58 3mof h GLU 41 CO 0.49 0.96 -0.68 0.71 -0.73 0.00 0.00 179.01 179.76 3mof s TYR 42 N -3.73 0.46 -0.09 0.92 2.02 -1.16 -4.85 117.35 110.92 3mof s TYR 42 Ca -0.06 -0.96 0.02 0.00 -0.37 0.00 0.00 57.07 55.70 3mof s TYR 42 Cb 0.11 -0.35 0.01 0.00 -0.40 0.00 0.00 41.96 41.33 3mof s TYR 42 CO 0.84 -0.35 -0.16 0.42 -1.57 0.00 0.00 175.55 174.74 3mof s ILE 43 N -3.44 1.48 -0.23 2.71 1.01 -0.50 -0.36 121.20 121.86 3mof s ILE 43 Ca 0.03 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3mof s ILE 43 Cb 0.04 -1.34 0.05 0.00 0.01 0.00 0.00 42.46 41.23 3mof s ILE 43 CO -0.08 0.43 -0.11 -2.28 0.00 0.00 0.00 174.94 172.91 3mof s HIS 44 N 0.80 2.88 -0.33 3.97 5.65 -0.35 -0.28 115.29 127.63 3mof s HIS 44 Ca -0.11 -2.01 -0.21 0.00 0.25 0.00 0.00 55.06 52.98 3mof s HIS 44 Cb -0.16 -1.80 -0.00 0.00 -1.18 0.00 0.00 32.58 29.44 3mof s HIS 44 CO 0.02 -0.83 0.69 0.42 -0.65 0.00 0.00 174.74 174.39 3mof s ILE 45 N 1.23 4.86 0.24 0.89 1.01 -0.40 -0.92 121.20 128.12 3mof s ILE 45 Ca -0.05 0.84 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 3mof s ILE 45 Cb -0.18 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 3mof s ILE 45 CO -0.07 -0.26 1.19 0.00 0.00 0.00 0.00 174.94 175.80 3mof n ASP 47 N 1.79 1.34 0.00 0.00 5.68 -1.26 -4.15 116.55 119.94 3mof n ASP 47 Ca 0.02 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.14 3mof n ASP 47 Cb 0.44 0.77 0.00 0.00 -1.14 0.00 0.00 41.12 41.19 3mof n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mof n GLY 48 N 1.40 0.56 3.78 6.12 0.00 -1.26 -2.28 105.19 113.51 3mof n GLY 48 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3mof n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mof s SER 49 N -2.39 4.94 0.23 1.61 1.04 -1.26 -4.90 113.70 112.97 3mof s SER 49 Ca 0.00 1.82 -0.07 0.00 0.48 0.00 0.00 55.95 58.18 3mof s SER 49 Cb 0.00 -2.52 0.22 0.00 0.10 0.00 0.00 66.02 63.82 3mof s SER 49 CO 0.00 -1.74 1.88 -0.33 0.98 0.00 0.00 173.24 174.02 3mof h GLU 50 N -0.64 1.26 -0.44 4.02 5.08 -1.99 -2.16 114.58 119.70 3mof h GLU 50 Ca -0.45 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 3mof h GLU 50 Cb 1.23 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3mof h GLU 50 CO 0.54 0.89 0.12 1.05 -1.00 0.00 0.00 179.01 180.61 3mof h GLU 51 N 1.27 0.70 -0.58 2.33 4.11 -1.99 0.88 114.58 121.32 3mof h GLU 51 Ca 0.33 -0.16 0.01 0.00 0.07 0.00 0.00 59.36 59.60 3mof h GLU 51 Cb -0.04 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3mof h GLU 51 CO -0.06 0.69 0.38 1.49 0.07 0.00 0.00 179.01 181.58 3mof h GLU 52 N 0.58 0.76 0.54 1.06 4.81 -1.89 -0.51 114.58 119.93 3mof h GLU 52 Ca 0.14 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3mof h GLU 52 Cb 0.29 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.51 3mof h GLU 52 CO -0.00 0.50 -0.26 -0.92 -0.73 0.00 0.00 179.01 177.60 3mof h TYR 53 N 0.78 -0.68 -0.71 0.92 3.20 -1.04 -1.48 116.97 117.97 3mof h TYR 53 Ca 0.21 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3mof h TYR 53 Cb -0.09 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 3mof h TYR 53 CO -0.03 -0.39 0.44 0.78 -1.64 0.00 0.00 178.16 177.31 3mof h GLY 54 N -0.80 1.03 1.20 1.82 0.00 -0.64 -0.36 103.07 105.31 3mof h GLY 54 Ca -0.07 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 3mof h GLY 54 CO 0.12 0.26 -0.25 3.21 0.00 0.00 0.00 176.54 179.88 3mof h ARG 55 N 0.84 0.91 -0.57 4.80 3.08 -1.10 -1.14 114.38 121.20 3mof h ARG 55 Ca 0.29 -0.40 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 3mof h ARG 55 Cb 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3mof h ARG 55 CO -0.12 1.05 0.16 1.25 -1.07 0.00 0.00 179.97 181.24 3mof h LEU 56 N 0.78 0.85 -0.09 3.04 5.85 -0.77 -0.95 115.31 124.02 3mof h LEU 56 Ca 0.10 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3mof h LEU 56 Cb 0.81 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3mof h LEU 56 CO 0.07 0.85 0.02 -0.07 -0.34 0.00 0.00 178.44 178.97 3mof h LEU 57 N 0.81 0.01 -1.15 2.25 3.38 -0.93 -1.52 115.31 118.17 3mof h LEU 57 Ca 0.18 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3mof h LEU 57 Cb 0.31 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3mof h LEU 57 CO -0.00 0.02 0.59 0.00 0.09 0.00 0.00 178.44 179.13 3mof h ALA 58 N 1.06 1.48 -0.13 1.53 0.00 -1.03 -0.33 119.26 121.85 3mof h ALA 58 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3mof h ALA 58 Cb 0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3mof h ALA 58 CO -0.05 0.41 0.04 1.25 0.00 0.00 0.00 179.25 180.90 3mof h HIS 59 N 1.06 0.21 -0.86 0.00 -0.00 -0.93 -0.03 115.15 114.59 3mof h HIS 59 Ca 0.37 -0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.75 3mof h HIS 59 Cb 0.12 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.42 3mof h HIS 59 CO -0.00 0.31 0.57 0.52 -0.00 0.00 0.00 177.93 179.33 3mof h MET 60 N 0.04 1.09 -0.19 5.26 2.07 -0.76 -1.29 114.93 121.15 3mof h MET 60 Ca 0.04 -0.07 -0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3mof h MET 60 Cb 0.20 -0.25 -0.01 0.00 -1.87 0.00 0.00 31.60 29.68 3mof h MET 60 CO -0.00 0.72 0.11 0.37 1.07 0.00 0.00 176.91 179.18 3mof h GLN 61 N 1.12 0.26 -0.75 1.72 4.15 -0.78 0.25 115.11 121.09 3mof h GLN 61 Ca 0.33 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.70 3mof h GLN 61 Cb -0.05 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 3mof h GLN 61 CO -0.09 0.24 0.36 0.93 -1.93 0.00 0.00 178.83 178.35 3mof h GLU 62 N 0.22 1.07 0.00 1.69 4.39 -0.46 -1.91 114.58 119.56 3mof h GLU 62 Ca 0.07 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3mof h GLU 62 Cb 0.05 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3mof h GLU 62 CO -0.01 0.82 0.00 0.39 -1.16 0.00 0.00 179.01 179.05 3mof n GLU 63 N -4.33 0.87 -1.28 2.33 1.02 -0.53 -4.89 120.64 113.83 3mof n GLU 63 Ca 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.12 3mof n GLU 63 Cb 0.13 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 3mof n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mof n GLY 64 N 0.76 1.13 0.12 0.62 0.00 -0.72 -4.90 105.19 102.19 3mof n GLY 64 Ca 0.21 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 3mof n GLY 64 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mof h VAL 65 N 0.00 1.48 -3.58 1.61 2.07 -0.75 -3.46 116.25 113.61 3mof h VAL 65 Ca -0.20 -2.87 -0.28 0.00 0.82 0.00 0.00 66.70 64.16 3mof h VAL 65 Cb 0.64 2.77 -0.15 0.00 -1.52 0.00 0.00 31.29 33.04 3mof h VAL 65 CO 0.29 0.84 -0.70 0.27 0.02 0.00 0.00 177.57 178.29 3mof s ILE 66 N -2.86 0.94 -0.01 4.57 -4.36 -1.16 -4.45 121.20 113.87 3mof s ILE 66 Ca -0.04 -2.01 0.06 0.00 -0.26 0.00 0.00 60.65 58.40 3mof s ILE 66 Cb 0.08 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 3mof s ILE 66 CO 0.87 -0.76 -0.19 -0.13 0.24 0.00 0.00 174.94 174.98 3mof s ARG 67 N -3.80 2.24 0.20 0.37 0.52 0.15 -4.13 118.95 114.51 3mof s ARG 67 Ca 0.16 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 3mof s ARG 67 Cb 0.04 -2.22 -0.08 0.00 0.52 0.00 0.00 34.95 33.21 3mof s ARG 67 CO -0.01 0.58 1.08 0.21 0.02 0.00 0.00 175.30 177.18 3mof s LYS 68 N -0.95 4.63 -0.66 3.54 2.20 -1.26 -0.59 119.74 126.65 3mof s LYS 68 Ca 0.12 1.71 -0.18 0.00 -0.36 0.00 0.00 55.97 57.25 3mof s LYS 68 Cb -0.10 -3.26 0.12 0.00 -1.51 0.00 0.00 37.83 33.07 3mof s LYS 68 CO 0.02 0.15 0.77 -0.51 -0.36 0.00 0.00 175.35 175.41 3mof s LEU 69 N -0.66 5.51 0.57 5.43 1.43 0.50 -4.89 118.68 126.56 3mof s LEU 69 Ca 0.47 -1.66 0.26 0.00 -1.03 0.00 0.00 54.13 52.17 3mof s LEU 69 Cb -0.29 -2.30 1.62 0.00 0.03 0.00 0.00 46.19 45.24 3mof s LEU 69 CO 0.36 -1.05 2.18 0.11 0.23 0.00 0.00 176.35 178.18 3mof h LYS 70 N 8.98 0.00 0.00 1.70 1.57 -1.78 -2.28 116.57 124.76 3mof h LYS 70 Ca -0.19 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 3mof h LYS 70 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3mof h LYS 70 CO 1.06 0.00 -0.19 -0.22 -0.57 0.00 0.00 179.45 179.53 3mof h LYS 71 N 0.00 0.00 0.00 3.15 3.64 -1.35 -3.46 116.57 118.54 3mof h LYS 71 Ca 0.03 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.93 3mof h LYS 71 Cb 0.15 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 3mof h LYS 71 CO -0.00 0.19 -0.27 0.66 -2.27 0.00 0.00 179.45 177.76 3mof n TYR 72 N -3.62 -0.23 -3.42 1.91 4.01 -0.86 -5.01 117.16 109.94 3mof n TYR 72 Ca -0.01 -1.91 -0.43 0.00 -0.16 0.00 0.00 57.90 55.38 3mof n TYR 72 Cb 0.32 -0.33 -0.09 0.00 -0.31 0.00 0.00 39.34 38.92 3mof n TYR 72 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3mof s ASP 73 N -3.48 6.13 -1.30 7.72 -1.08 -1.13 -4.58 116.67 118.95 3mof s ASP 73 Ca 0.17 -0.89 -0.00 0.00 -0.52 0.00 0.00 52.55 51.31 3mof s ASP 73 Cb -0.01 -2.18 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 3mof s ASP 73 CO 0.11 -0.50 0.71 -3.20 0.52 0.00 0.00 175.17 172.80 3mof n ASN 74 N 5.28 -1.18 -4.43 -0.34 5.15 -1.26 -0.89 115.26 117.59 3mof n ASN 74 Ca -0.10 -0.81 -0.30 0.00 -0.60 0.00 0.00 54.58 52.77 3mof n ASN 74 Cb 0.47 -4.09 -0.13 0.00 -0.53 0.00 0.00 39.78 35.50 3mof n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mof s TRP 76 N -1.03 0.39 -0.09 0.00 0.52 -0.60 -0.37 118.94 117.76 3mof s TRP 76 Ca 0.15 -0.57 0.02 0.00 0.02 0.00 0.00 56.10 55.72 3mof s TRP 76 Cb -0.10 -0.26 0.01 0.00 -1.15 0.00 0.00 33.47 31.97 3mof s TRP 76 CO 0.07 -0.18 -0.14 -1.17 0.02 0.00 0.00 176.95 175.54 3mof s LEU 77 N -1.64 1.70 -0.09 2.99 2.96 0.25 0.07 118.68 124.92 3mof s LEU 77 Ca -0.12 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3mof s LEU 77 Cb -0.08 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 3mof s LEU 77 CO -0.01 0.03 -0.12 0.00 -1.32 0.00 0.00 176.35 174.92 3mof s ALA 78 N 0.84 2.70 -0.13 5.97 0.00 0.42 -0.67 121.76 130.88 3mof s ALA 78 Ca -0.10 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 50.95 3mof s ALA 78 Cb -0.15 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3mof s ALA 78 CO 0.01 0.43 -0.21 -0.51 0.00 0.00 0.00 175.76 175.48 3mof s LEU 79 N -0.28 2.20 0.33 0.00 1.43 -1.26 -1.40 118.68 119.70 3mof s LEU 79 Ca 0.02 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 3mof s LEU 79 Cb -0.13 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 3mof s LEU 79 CO 0.03 0.11 0.47 0.42 0.23 0.00 0.00 176.35 177.61 3mof s THR 80 N 0.64 4.30 0.00 5.49 -4.23 -1.26 -4.75 115.64 115.83 3mof s THR 80 Ca -0.11 -0.94 -0.34 0.00 -1.18 0.00 0.00 61.69 59.12 3mof s THR 80 Cb -0.16 -3.51 -0.13 0.00 1.34 0.00 0.00 72.50 70.04 3mof s THR 80 CO 0.02 -0.21 1.76 -0.67 -0.54 0.00 0.00 174.62 174.98 3mof n ASP 81 N -1.64 3.26 0.12 3.99 -0.08 -1.26 -4.86 116.55 116.07 3mof n ASP 81 Ca -0.02 1.02 0.09 0.00 -1.51 0.00 0.00 54.79 54.37 3mof n ASP 81 Cb 0.58 -1.38 0.43 0.00 2.34 0.00 0.00 41.12 43.09 3mof n ASP 81 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3mof n PRO 82 N 5.36 0.11 0.05 -0.67 -0.04 -1.26 -0.32 135.00 138.23 3mof n PRO 82 Ca 0.21 0.56 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 3mof n PRO 82 Cb 0.29 -1.83 0.46 0.00 -0.04 0.00 0.00 33.50 32.38 3mof n PRO 82 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mof n ARG 83 N -2.05 0.11 -3.67 0.54 1.74 -1.26 -4.22 116.66 107.84 3mof n ARG 83 Ca -0.00 0.20 -0.27 0.00 -0.77 0.00 0.00 57.85 57.01 3mof n ARG 83 Cb 0.06 -1.66 -0.11 0.00 -1.02 0.00 0.00 32.46 29.74 3mof n ARG 83 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mof n ASP 84 N -1.85 2.41 0.00 0.55 2.03 0.56 -4.89 116.55 115.36 3mof n ASP 84 Ca 0.05 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.27 3mof n ASP 84 Cb 0.30 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 3mof n ASP 84 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3mof n VAL 85 N 1.83 0.12 -3.58 5.18 0.24 -1.26 -4.63 118.33 116.24 3mof n VAL 85 Ca 0.24 -0.43 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 3mof n VAL 85 Cb 0.40 1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 3mof n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mof s ALA 86 N -0.12 -1.77 0.26 2.33 0.00 -1.26 -4.83 121.76 116.37 3mof s ALA 86 Ca 0.00 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 3mof s ALA 86 Cb 0.00 0.49 -0.13 0.00 0.00 0.00 0.00 23.12 23.48 3mof s ALA 86 CO 0.00 -0.81 1.36 0.54 0.00 0.00 0.00 175.76 176.85 3mof n ARG 87 N -0.32 2.01 -3.76 0.00 1.74 -1.26 -4.89 116.66 110.17 3mof n ARG 87 Ca -0.08 0.71 -0.37 0.00 -0.77 0.00 0.00 57.85 57.35 3mof n ARG 87 Cb 0.61 -2.34 -0.11 0.00 -1.02 0.00 0.00 32.46 29.60 3mof n ARG 87 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3mof s ILE 88 N -0.35 3.36 0.25 0.55 1.01 -1.26 -4.98 121.20 119.78 3mof s ILE 88 Ca 0.65 -1.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.27 3mof s ILE 88 Cb -0.64 -3.27 0.25 0.00 0.01 0.00 0.00 42.46 38.81 3mof s ILE 88 CO 0.53 -0.65 1.92 -0.08 0.00 0.00 0.00 174.94 176.65 3mof h GLU 89 N 8.09 1.25 -0.06 2.79 4.81 -1.93 -2.13 114.58 127.39 3mof h GLU 89 Ca -0.14 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3mof h GLU 89 Cb 1.05 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 3mof h GLU 89 CO 0.70 0.83 0.05 0.66 -0.73 0.00 0.00 179.01 180.52 3mof h SER 90 N 1.29 0.00 -0.61 1.04 4.64 -2.03 -1.90 113.55 115.98 3mof h SER 90 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3mof h SER 90 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3mof h SER 90 CO -0.09 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.16 3mof n LYS 91 N -4.26 2.47 -3.78 4.77 4.76 -0.82 -4.86 118.16 116.43 3mof n LYS 91 Ca -0.02 -2.27 -0.36 0.00 -2.87 0.00 0.00 58.31 52.79 3mof n LYS 91 Cb 0.15 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.72 3mof n LYS 91 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3mof s THR 92 N -1.19 4.21 0.07 -0.18 2.01 -0.72 0.00 115.64 119.85 3mof s THR 92 Ca 0.42 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.23 3mof s THR 92 Cb 0.22 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 3mof s THR 92 CO 0.29 0.35 -0.07 0.68 -0.69 0.00 0.00 174.62 175.19 3mof s VAL 93 N 1.58 0.57 -0.06 3.82 -7.23 0.04 -4.46 120.40 114.66 3mof s VAL 93 Ca 0.06 -1.58 0.05 0.00 -1.81 0.00 0.00 61.98 58.70 3mof s VAL 93 Cb -0.15 -1.23 -0.00 0.00 0.56 0.00 0.00 36.38 35.56 3mof s VAL 93 CO 0.03 -0.70 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.29 3mof s ILE 94 N -2.77 1.69 -0.23 -0.62 1.01 -0.53 -1.60 121.20 118.15 3mof s ILE 94 Ca 0.02 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 3mof s ILE 94 Cb -0.01 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 3mof s ILE 94 CO -0.03 0.48 0.06 -0.63 0.00 0.00 0.00 174.94 174.82 3mof s ILE 95 N 0.11 4.37 0.07 2.92 1.09 0.02 -1.39 121.20 128.39 3mof s ILE 95 Ca -0.08 -0.16 -0.03 0.00 -1.10 0.00 0.00 60.65 59.29 3mof s ILE 95 Cb -0.14 -3.02 -0.03 0.00 -1.06 0.00 0.00 42.46 38.21 3mof s ILE 95 CO 0.04 0.36 0.03 0.42 -0.10 0.00 0.00 174.94 175.69 3mof s THR 96 N 1.35 0.19 0.17 2.92 -4.23 -1.26 -4.27 115.64 110.52 3mof s THR 96 Ca 0.05 -1.69 -0.14 0.00 -1.18 0.00 0.00 61.69 58.72 3mof s THR 96 Cb -0.15 -1.56 0.06 0.00 1.34 0.00 0.00 72.50 72.19 3mof s THR 96 CO 0.03 -0.86 1.76 -0.61 -0.54 0.00 0.00 174.62 174.41 3mof h GLN 97 N 3.03 0.36 -5.21 3.99 5.75 -1.98 -3.40 115.11 117.65 3mof h GLN 97 Ca -0.34 -0.02 -0.65 0.00 -0.15 0.00 0.00 58.65 57.49 3mof h GLN 97 Cb 1.16 -0.08 -0.24 0.00 1.07 0.00 0.00 27.48 29.38 3mof h GLN 97 CO 0.63 0.24 -0.70 -1.21 -2.65 0.00 0.00 178.83 175.14 3mof s GLU 98 N -6.14 3.53 0.34 1.69 0.41 -1.26 -4.92 118.70 112.34 3mof s GLU 98 Ca -0.13 -0.58 0.07 0.00 -0.41 0.00 0.00 54.97 53.91 3mof s GLU 98 Cb 0.13 -2.89 0.75 0.00 -1.78 0.00 0.00 34.13 30.34 3mof s GLU 98 CO 0.72 0.11 1.87 0.37 -0.49 0.00 0.00 175.26 177.84 3mof h GLN 99 N 7.12 0.75 0.00 1.61 4.15 -1.93 -2.04 115.11 124.77 3mof h GLN 99 Ca -0.33 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.03 3mof h GLN 99 Cb 1.19 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.71 3mof h GLN 99 CO 0.60 0.50 -0.09 -0.09 -1.93 0.00 0.00 178.83 177.82 3mof h ARG 100 N 0.77 0.00 0.00 1.69 2.43 -1.95 0.20 114.38 117.52 3mof h ARG 100 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3mof h ARG 100 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3mof h ARG 100 CO -0.21 0.09 0.00 -0.44 -1.51 0.00 0.00 179.97 177.90 3mof h ASP 101 N 0.00 0.00 0.01 -3.80 3.32 -1.79 -3.35 116.42 110.81 3mof h ASP 101 Ca -0.00 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.63 3mof h ASP 101 Cb 0.21 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 3mof h ASP 101 CO 0.01 0.00 -2.41 0.41 -1.72 0.00 0.00 179.24 175.53 3mof n THR 102 N -2.62 1.53 -3.99 0.35 -1.04 -0.02 -1.94 114.28 106.55 3mof n THR 102 Ca 0.03 -0.45 -0.09 0.00 -2.04 0.00 0.00 64.05 61.50 3mof n THR 102 Cb 0.33 -1.71 -0.11 0.00 -1.82 0.00 0.00 70.33 67.03 3mof n THR 102 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3mof s VAL 103 N -2.51 0.13 0.52 12.58 -7.23 -0.74 -2.16 120.40 120.99 3mof s VAL 103 Ca -0.36 -1.05 -0.21 0.00 -1.81 0.00 0.00 61.98 58.55 3mof s VAL 103 Cb 0.12 -0.52 -0.06 0.00 0.56 0.00 0.00 36.38 36.48 3mof s VAL 103 CO 0.55 -0.58 1.23 -2.84 -0.31 0.00 0.00 175.10 173.15 3mof s PRO 104 N -1.93 3.38 -0.36 4.82 0.02 -1.26 -3.85 135.00 135.83 3mof s PRO 104 Ca -0.11 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 62.52 3mof s PRO 104 Cb -0.06 -2.23 0.02 0.00 0.02 0.00 0.00 34.50 32.25 3mof s PRO 104 CO -0.02 -0.90 1.12 0.42 -0.33 0.00 0.00 177.00 177.29 3mof s ILE 105 N -1.50 4.39 0.71 2.83 -1.09 -1.26 -4.91 121.20 120.37 3mof s ILE 105 Ca 0.70 1.56 -0.12 0.00 -2.23 0.00 0.00 60.65 60.55 3mof s ILE 105 Cb -0.32 -4.43 0.02 0.00 -1.58 0.00 0.00 42.46 36.15 3mof s ILE 105 CO 0.37 -0.61 1.08 -2.84 -1.23 0.00 0.00 174.94 171.72 3mof s PRO 106 N 3.92 2.62 0.04 2.79 0.02 -1.26 -4.61 135.00 138.53 3mof s PRO 106 Ca 0.47 1.17 -0.18 0.00 0.02 0.00 0.00 61.00 62.48 3mof s PRO 106 Cb -0.11 -1.94 -0.17 0.00 0.02 0.00 0.00 34.50 32.30 3mof s PRO 106 CO 0.20 -1.36 1.25 -0.22 -0.33 0.00 0.00 177.00 176.55 3mof h LYS 107 N -0.65 0.49 0.00 5.54 3.64 -1.24 -3.43 116.57 120.92 3mof h LYS 107 Ca -0.45 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 3mof h LYS 107 Cb 1.23 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3mof h LYS 107 CO 0.54 0.99 -0.48 -1.13 -2.27 0.00 0.00 179.45 177.10 3mof n SER 108 N -4.31 2.20 -2.66 4.20 3.41 -1.26 -5.09 113.62 110.11 3mof n SER 108 Ca -0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.48 3mof n SER 108 Cb 0.54 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3mof n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mof n GLY 109 N 1.99 2.78 3.81 5.00 0.00 -1.26 -5.11 105.19 112.40 3mof n GLY 109 Ca 0.00 -2.19 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 3mof n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mof s GLN 110 N -2.54 4.30 0.27 1.61 0.74 -1.26 -4.61 119.66 118.16 3mof s GLN 110 Ca 0.09 0.97 -0.29 0.00 0.05 0.00 0.00 55.36 56.17 3mof s GLN 110 Cb -0.01 -2.74 -0.09 0.00 1.10 0.00 0.00 33.01 31.27 3mof s GLN 110 CO 0.05 0.30 1.25 0.45 -0.55 0.00 0.00 175.29 176.79 3mof s SER 111 N -1.77 6.96 -0.21 6.67 0.15 -1.26 -4.91 113.70 119.34 3mof s SER 111 Ca 0.48 2.46 0.15 0.00 0.70 0.00 0.00 55.95 59.73 3mof s SER 111 Cb -0.16 -2.63 0.49 0.00 -1.71 0.00 0.00 66.02 62.02 3mof s SER 111 CO 0.21 -0.42 1.40 0.00 1.20 0.00 0.00 173.24 175.63 3mof n GLN 112 N 1.58 2.37 -0.19 5.44 10.64 -1.26 -4.60 117.38 131.36 3mof n GLN 112 Ca 0.02 -2.91 0.08 0.00 -1.83 0.00 0.00 57.00 52.35 3mof n GLN 112 Cb 0.43 -1.79 0.18 0.00 -0.86 0.00 0.00 30.24 28.20 3mof n GLN 112 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3mof n LEU 113 N -0.82 3.06 0.00 2.61 4.77 -1.26 -4.91 117.00 120.45 3mof n LEU 113 Ca 0.24 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 3mof n LEU 113 Cb 0.90 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3mof n LEU 113 CO 0.14 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3mof n GLY 114 N 0.89 0.29 2.67 -0.72 0.00 -1.26 -4.66 105.19 102.41 3mof n GLY 114 Ca 0.14 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 3mof n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mof s ARG 115 N -2.00 0.69 0.26 1.61 0.52 -1.26 -4.87 118.95 113.89 3mof s ARG 115 Ca 0.00 -1.15 -0.28 0.00 -0.52 0.00 0.00 55.73 53.79 3mof s ARG 115 Cb 0.00 -1.83 -0.09 0.00 0.52 0.00 0.00 34.95 33.54 3mof s ARG 115 CO 0.00 -1.04 0.91 -0.46 0.02 0.00 0.00 175.30 174.73 3mof s TRP 116 N 1.46 3.87 -0.03 -0.53 -0.00 -1.26 -1.46 118.94 120.99 3mof s TRP 116 Ca 0.12 1.82 0.02 0.00 -0.00 0.00 0.00 56.10 58.06 3mof s TRP 116 Cb -0.19 -2.92 0.01 0.00 -0.00 0.00 0.00 33.47 30.37 3mof s TRP 116 CO -0.21 0.38 -0.08 1.41 -0.00 0.00 0.00 176.95 178.45 3mof s MET 117 N -1.49 0.91 0.72 5.86 -2.45 -0.48 -4.88 119.30 117.49 3mof s MET 117 Ca 0.43 -0.27 -0.12 0.00 -1.25 0.00 0.00 55.69 54.48 3mof s MET 117 Cb -0.23 -0.85 0.03 0.00 1.25 0.00 0.00 34.83 35.03 3mof s MET 117 CO 0.28 0.09 1.10 -1.54 1.05 0.00 0.00 175.02 176.00 3mof s SER 118 N 0.27 4.79 0.25 1.11 1.04 -1.26 -4.01 113.70 115.89 3mof s SER 118 Ca -0.04 1.90 -0.05 0.00 0.48 0.00 0.00 55.95 58.24 3mof s SER 118 Cb -0.09 -2.53 0.32 0.00 0.10 0.00 0.00 66.02 63.82 3mof s SER 118 CO 0.00 -1.85 1.90 -0.33 0.98 0.00 0.00 173.24 173.95 3mof h GLU 119 N -0.61 1.22 -0.49 4.02 5.08 -1.92 -1.31 114.58 120.58 3mof h GLU 119 Ca -0.45 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 3mof h GLU 119 Cb 1.24 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3mof h GLU 119 CO 0.53 0.81 0.08 1.05 -1.00 0.00 0.00 179.01 180.47 3mof h GLU 120 N 1.26 0.81 -0.48 2.33 4.11 -1.97 -0.86 114.58 119.77 3mof h GLU 120 Ca 0.39 -0.22 -0.08 0.00 0.07 0.00 0.00 59.36 59.52 3mof h GLU 120 Cb -0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3mof h GLU 120 CO -0.12 0.81 -0.03 -0.44 0.07 0.00 0.00 179.01 179.30 3mof h ASP 121 N 0.69 0.86 -0.46 3.06 3.32 -1.90 -2.76 116.42 119.24 3mof h ASP 121 Ca 0.15 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3mof h ASP 121 Cb 0.40 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3mof h ASP 121 CO 0.01 0.97 0.15 0.15 -1.72 0.00 0.00 179.24 178.80 3mof h PHE 122 N 0.72 0.73 -0.42 4.55 3.57 -1.09 -1.09 116.94 123.91 3mof h PHE 122 Ca 0.13 -0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.65 3mof h PHE 122 Cb 0.55 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 38.99 3mof h PHE 122 CO 0.04 0.65 -0.21 1.49 -2.23 0.00 0.00 178.31 178.05 3mof h GLU 123 N 0.60 -0.13 -0.64 1.11 4.81 -1.11 0.40 114.58 119.62 3mof h GLU 123 Ca 0.15 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3mof h GLU 123 Cb 0.26 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3mof h GLU 123 CO -0.01 -0.09 0.39 0.87 -0.73 0.00 0.00 179.01 179.45 3mof h LYS 124 N -0.13 0.73 -0.44 1.92 1.57 -1.31 -0.99 116.57 117.91 3mof h LYS 124 Ca 0.20 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 3mof h LYS 124 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3mof h LYS 124 CO -0.50 0.48 -0.15 0.00 -0.57 0.00 0.00 179.45 178.71 3mof h ALA 125 N 1.28 0.62 0.07 3.86 0.00 -0.15 -1.90 119.26 123.04 3mof h ALA 125 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3mof h ALA 125 Cb 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3mof h ALA 125 CO -0.11 0.54 -0.06 0.35 0.00 0.00 0.00 179.25 179.97 3mof h PHE 126 N 0.72 -0.16 0.00 0.00 3.57 -0.07 -2.65 116.94 118.35 3mof h PHE 126 Ca 0.11 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 3mof h PHE 126 Cb 0.71 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3mof h PHE 126 CO 0.05 -0.10 -0.18 -0.91 -2.23 0.00 0.00 178.31 174.94 3mof h ASN 127 N -0.14 0.00 0.20 0.41 2.35 -1.10 -0.60 115.58 116.70 3mof h ASN 127 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3mof h ASN 127 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3mof h ASN 127 CO -0.01 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 175.95 3mof n ALA 128 N -2.42 2.33 0.05 -0.83 0.00 -0.72 -4.47 120.51 114.45 3mof n ALA 128 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3mof n ALA 128 Cb 0.26 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3mof n ALA 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mof n ARG 129 N -1.13 0.00 0.09 0.00 1.74 -0.35 -4.95 116.66 112.07 3mof n ARG 129 Ca 0.15 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.16 3mof n ARG 129 Cb 0.13 -0.24 0.01 0.00 -1.02 0.00 0.00 32.46 31.34 3mof n ARG 129 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3mof h PHE 130 N 0.00 0.24 -2.24 -1.55 -1.00 -1.48 -3.40 116.94 107.52 3mof h PHE 130 Ca 0.00 -0.13 -0.55 0.00 2.81 0.00 0.00 57.97 60.10 3mof h PHE 130 Cb 0.25 -0.03 0.02 0.00 3.61 0.00 0.00 35.95 39.80 3mof h PHE 130 CO 0.00 0.92 1.27 -2.30 -1.61 0.00 0.00 178.31 176.59 3mof n PRO 131 N -3.67 2.62 -1.00 1.51 -0.02 -1.26 -1.04 135.00 132.15 3mof n PRO 131 Ca -0.03 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3mof n PRO 131 Cb 0.78 -3.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3mof n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mof n GLY 132 N 4.77 0.36 0.30 -1.23 0.00 -0.41 -4.92 105.19 104.06 3mof n GLY 132 Ca 0.22 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.44 3mof n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mof n MET 134 N -3.06 3.29 -1.67 0.00 2.81 -0.32 -2.85 117.12 115.32 3mof n MET 134 Ca -0.01 -2.66 -0.46 0.00 -1.81 0.00 0.00 57.70 52.75 3mof n MET 134 Cb 0.18 -1.73 -0.04 0.00 -0.71 0.00 0.00 33.22 30.92 3mof n MET 134 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3mof n LYS 135 N 0.34 2.15 -0.58 0.03 4.81 -0.95 -1.20 118.16 122.76 3mof n LYS 135 Ca 0.20 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 3mof n LYS 135 Cb 0.79 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.29 3mof n LYS 135 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mof n GLY 136 N 3.43 1.36 3.61 3.14 0.00 -1.26 -1.45 105.19 114.02 3mof n GLY 136 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3mof n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mof s ARG 137 N -0.18 2.02 -0.03 1.61 0.52 -0.34 -4.78 118.95 117.77 3mof s ARG 137 Ca 0.00 -1.79 -0.23 0.00 -0.52 0.00 0.00 55.73 53.18 3mof s ARG 137 Cb 0.00 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 3mof s ARG 137 CO 0.00 0.13 0.70 0.99 0.02 0.00 0.00 175.30 177.14 3mof s THR 138 N -2.54 4.95 -0.39 0.02 2.01 -1.26 -0.29 115.64 118.15 3mof s THR 138 Ca 0.34 1.46 -0.23 0.00 0.31 0.00 0.00 61.69 63.57 3mof s THR 138 Cb 0.01 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.49 3mof s THR 138 CO 0.19 0.30 0.78 -0.32 -0.69 0.00 0.00 174.62 174.88 3mof s MET 139 N 0.44 3.66 0.11 4.92 1.75 0.51 -4.22 119.30 126.46 3mof s MET 139 Ca 0.37 0.19 -0.24 0.00 -1.25 0.00 0.00 55.69 54.76 3mof s MET 139 Cb -0.18 -3.84 -0.07 0.00 2.84 0.00 0.00 34.83 33.57 3mof s MET 139 CO 0.19 -0.92 0.72 0.71 -0.65 0.00 0.00 175.02 175.07 3mof s TYR 140 N 3.13 3.83 -0.34 4.11 1.51 0.98 -1.21 117.35 129.36 3mof s TYR 140 Ca 0.31 1.49 -0.07 0.00 -1.01 0.00 0.00 57.07 57.79 3mof s TYR 140 Cb -0.13 -2.71 0.04 0.00 -0.11 0.00 0.00 41.96 39.05 3mof s TYR 140 CO 0.18 0.47 0.11 0.08 -1.11 0.00 0.00 175.55 175.28 3mof s VAL 141 N -0.83 3.86 -0.41 0.71 1.01 -0.09 -1.50 120.40 123.15 3mof s VAL 141 Ca 0.35 -1.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 3mof s VAL 141 Cb -0.21 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.07 3mof s VAL 141 CO 0.23 -0.19 0.23 -0.63 0.00 0.00 0.00 175.10 174.74 3mof s ILE 142 N 1.42 3.93 -0.25 2.22 1.01 0.02 -0.85 121.20 128.70 3mof s ILE 142 Ca -0.01 -1.53 -0.22 0.00 0.00 0.00 0.00 60.65 58.89 3mof s ILE 142 Cb -0.19 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 3mof s ILE 142 CO 0.03 -0.51 0.70 -2.84 0.00 0.00 0.00 174.94 172.32 3mof s PRO 143 N 1.35 4.14 0.04 2.79 0.02 -1.26 -0.53 135.00 141.56 3mof s PRO 143 Ca 0.03 0.69 0.02 0.00 0.02 0.00 0.00 61.00 61.76 3mof s PRO 143 Cb -0.23 -3.65 -0.03 0.00 0.02 0.00 0.00 34.50 30.62 3mof s PRO 143 CO 0.01 -0.44 -0.06 -0.59 -0.33 0.00 0.00 177.00 175.58 3mof s PHE 144 N 2.61 0.60 -0.11 6.54 -0.71 -0.19 -1.33 117.98 125.38 3mof s PHE 144 Ca 0.29 -0.56 -0.02 0.00 -1.04 0.00 0.00 56.93 55.60 3mof s PHE 144 Cb -0.15 -0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 41.26 3mof s PHE 144 CO 0.08 -0.12 -0.05 0.45 -1.34 0.00 0.00 175.22 174.24 3mof s SER 145 N -1.73 4.77 -0.47 1.98 0.15 0.56 -0.90 113.70 118.07 3mof s SER 145 Ca -0.09 -0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.33 3mof s SER 145 Cb -0.08 -1.52 0.06 0.00 -1.71 0.00 0.00 66.02 62.76 3mof s SER 145 CO -0.01 0.26 0.46 -0.04 1.20 0.00 0.00 173.24 175.12 3mof s MET 146 N -0.22 3.04 0.00 5.44 -1.94 -0.10 -2.63 119.30 122.89 3mof s MET 146 Ca 0.04 -1.10 0.00 0.00 -1.71 0.00 0.00 55.69 52.92 3mof s MET 146 Cb -0.13 -4.08 0.00 0.00 2.01 0.00 0.00 34.83 32.63 3mof s MET 146 CO 0.02 -1.04 0.00 0.41 -0.01 0.00 0.00 175.02 174.41 3mof n GLY 147 N 5.18 2.64 3.60 -0.03 0.00 -0.51 -1.79 105.19 114.28 3mof n GLY 147 Ca -0.10 -1.96 -0.47 0.00 0.00 0.00 0.00 46.02 43.49 3mof n GLY 147 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mof n PRO 148 N 0.50 1.41 -1.70 1.61 -0.02 -1.26 -4.75 135.00 130.79 3mof n PRO 148 Ca 0.00 0.50 -0.54 0.00 -2.02 0.00 0.00 63.50 61.44 3mof n PRO 148 Cb 0.00 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 3mof n PRO 148 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3mof n LEU 149 N 2.01 2.79 -0.58 2.45 7.94 -1.26 -0.64 117.00 129.70 3mof n LEU 149 Ca 0.14 1.04 -0.08 0.00 -1.11 0.00 0.00 56.01 56.00 3mof n LEU 149 Cb 0.27 -1.23 -0.03 0.00 0.53 0.00 0.00 43.42 42.96 3mof n LEU 149 CO 0.61 -0.29 -0.07 0.61 -1.11 0.00 0.00 177.39 177.14 3mof n GLY 150 N 4.26 0.91 3.78 -3.96 0.00 -1.26 -5.01 105.19 103.90 3mof n GLY 150 Ca 0.25 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3mof n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mof s SER 151 N -2.55 6.50 0.60 1.61 0.15 0.19 -4.91 113.70 115.28 3mof s SER 151 Ca 0.00 2.92 0.29 0.00 0.70 0.00 0.00 55.95 59.86 3mof s SER 151 Cb 0.00 -2.66 1.58 0.00 -1.71 0.00 0.00 66.02 63.23 3mof s SER 151 CO 0.00 -0.75 1.99 -0.65 1.20 0.00 0.00 173.24 175.03 3mof h PRO 152 N 3.14 0.00 -0.00 5.44 0.11 -1.90 -0.41 132.00 138.38 3mof h PRO 152 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mof h PRO 152 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mof h PRO 152 CO 0.65 0.00 -0.45 1.28 -0.21 0.00 0.00 178.00 179.27 3mof n LEU 153 N -3.68 0.59 -4.80 2.35 7.99 -1.26 -4.96 117.00 113.22 3mof n LEU 153 Ca 0.04 -0.04 -0.33 0.00 -0.01 0.00 0.00 56.01 55.67 3mof n LEU 153 Cb 0.49 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 3mof n LEU 153 CO 0.26 0.14 0.72 0.00 -1.51 0.00 0.00 177.39 177.00 3mof s ALA 154 N -2.91 2.77 0.02 -1.18 0.00 -0.17 -4.95 121.76 115.34 3mof s ALA 154 Ca 0.14 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3mof s ALA 154 Cb 0.18 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 3mof s ALA 154 CO 0.66 -0.72 -0.06 0.15 0.00 0.00 0.00 175.76 175.79 3mof s LYS 155 N -3.93 0.47 -0.15 0.00 -0.14 -0.74 -4.93 119.74 110.32 3mof s LYS 155 Ca 0.64 -0.48 -0.07 0.00 -1.36 0.00 0.00 55.97 54.70 3mof s LYS 155 Cb -0.16 -0.33 -0.04 0.00 -1.68 0.00 0.00 37.83 35.62 3mof s LYS 155 CO 0.34 0.07 0.09 0.42 -0.76 0.00 0.00 175.35 175.51 3mof s ILE 156 N -0.79 5.05 0.31 2.17 1.01 -1.26 -0.92 121.20 126.77 3mof s ILE 156 Ca -0.05 0.05 0.11 0.00 0.00 0.00 0.00 60.65 60.76 3mof s ILE 156 Cb -0.06 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 3mof s ILE 156 CO 0.00 0.53 -0.12 -0.83 0.00 0.00 0.00 174.94 174.53 3mof s GLY 157 N -0.30 2.00 -0.19 6.18 0.00 -0.08 -1.28 107.32 113.65 3mof s GLY 157 Ca 0.09 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 42.88 3mof s GLY 157 CO 0.01 -1.96 -0.12 -0.42 0.00 0.00 0.00 173.10 170.61 3mof s ILE 158 N -2.53 1.70 -0.20 0.90 -1.09 -0.78 -1.02 121.20 118.18 3mof s ILE 158 Ca 0.32 -0.95 -0.07 0.00 -2.23 0.00 0.00 60.65 57.71 3mof s ILE 158 Cb -0.02 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 3mof s ILE 158 CO 0.17 0.26 0.06 -0.70 -1.23 0.00 0.00 174.94 173.50 3mof s GLU 159 N 1.39 3.89 -0.17 2.79 2.12 0.31 -1.12 118.70 127.91 3mof s GLU 159 Ca 0.00 -0.38 -0.13 0.00 0.36 0.00 0.00 54.97 54.82 3mof s GLU 159 Cb -0.15 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 3mof s GLU 159 CO -0.09 0.16 0.26 -0.51 -0.54 0.00 0.00 175.26 174.54 3mof s LEU 160 N 0.67 4.23 0.01 2.70 1.43 0.37 -0.80 118.68 127.29 3mof s LEU 160 Ca 0.03 0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 3mof s LEU 160 Cb -0.13 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.79 3mof s LEU 160 CO 0.02 0.11 0.23 0.28 0.23 0.00 0.00 176.35 177.22 3mof s THR 161 N 0.52 0.08 -0.98 5.49 -1.32 -0.56 -0.47 115.64 118.40 3mof s THR 161 Ca 0.14 -0.67 0.17 0.00 -1.21 0.00 0.00 61.69 60.12 3mof s THR 161 Cb -0.13 -0.69 0.66 0.00 -1.51 0.00 0.00 72.50 70.84 3mof s THR 161 CO 0.03 -0.37 1.57 -0.90 -2.21 0.00 0.00 174.62 172.74 3mof n ASP 162 N 1.07 4.51 -4.28 8.08 5.68 -1.24 -0.01 116.55 130.36 3mof n ASP 162 Ca -0.21 -2.48 -0.35 0.00 -0.50 0.00 0.00 54.79 51.25 3mof n ASP 162 Cb 0.57 -0.54 -0.14 0.00 -1.14 0.00 0.00 41.12 39.87 3mof n ASP 162 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3mof s SER 163 N -1.04 4.45 0.39 -1.12 0.15 -1.26 -4.77 113.70 110.51 3mof s SER 163 Ca 0.47 -0.61 0.08 0.00 0.70 0.00 0.00 55.95 56.59 3mof s SER 163 Cb 0.31 -1.74 0.80 0.00 -1.71 0.00 0.00 66.02 63.68 3mof s SER 163 CO 0.22 -0.09 1.96 -0.65 1.20 0.00 0.00 173.24 175.88 3mof h PRO 164 N 8.10 0.37 -0.79 5.44 0.10 -1.93 -2.33 132.00 140.97 3mof h PRO 164 Ca -0.37 -0.06 0.08 0.00 0.10 0.00 0.00 66.00 65.75 3mof h PRO 164 Cb 1.14 -0.06 -0.07 0.00 0.10 0.00 0.00 31.00 32.11 3mof h PRO 164 CO 0.59 0.39 0.46 -0.92 0.10 0.00 0.00 178.00 178.62 3mof h TYR 165 N 0.37 0.83 -0.50 0.65 5.03 -1.96 -0.77 116.97 120.62 3mof h TYR 165 Ca 0.09 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 3mof h TYR 165 Cb 0.21 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 3mof h TYR 165 CO 0.01 0.37 0.25 0.28 -1.32 0.00 0.00 178.16 177.75 3mof h VAL 166 N 0.80 1.18 0.02 1.81 2.07 -1.77 -0.45 116.25 119.92 3mof h VAL 166 Ca 0.37 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3mof h VAL 166 Cb 0.28 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3mof h VAL 166 CO -0.22 0.20 -0.07 0.58 0.02 0.00 0.00 177.57 178.08 3mof h VAL 167 N 0.66 0.82 -0.75 2.57 2.07 -0.94 0.04 116.25 120.73 3mof h VAL 167 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 3mof h VAL 167 Cb 0.09 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3mof h VAL 167 CO -0.02 0.00 0.38 0.00 0.02 0.00 0.00 177.57 177.94 3mof h ALA 168 N 0.83 0.96 -0.05 1.67 0.00 -1.02 -1.46 119.26 120.18 3mof h ALA 168 Ca 0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3mof h ALA 168 Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3mof h ALA 168 CO -0.06 0.51 -0.54 0.77 0.00 0.00 0.00 179.25 179.93 3mof h SER 169 N 1.04 0.17 0.94 0.00 0.02 -0.87 -2.91 113.55 111.95 3mof h SER 169 Ca 0.26 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 60.97 3mof h SER 169 Cb 0.09 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3mof h SER 169 CO -0.04 0.68 -0.71 0.24 -1.14 0.00 0.00 176.83 175.87 3mof h MET 170 N 0.12 0.00 -0.59 3.45 2.86 -0.75 -0.33 114.93 119.70 3mof h MET 170 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3mof h MET 170 Cb 1.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 3mof h MET 170 CO 0.08 0.71 0.28 -0.09 1.06 0.00 0.00 176.91 178.95 3mof h ARG 171 N 0.00 0.83 0.08 1.72 2.43 -1.07 -0.35 114.38 118.03 3mof h ARG 171 Ca -0.01 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 58.89 3mof h ARG 171 Cb 1.37 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3mof h ARG 171 CO 0.09 0.64 -0.70 0.82 -1.51 0.00 0.00 179.97 179.31 3mof h ILE 172 N 0.83 1.49 0.00 1.20 2.04 -1.40 -3.38 117.51 118.29 3mof h ILE 172 Ca 0.21 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.73 3mof h ILE 172 Cb 0.09 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3mof h ILE 172 CO -0.03 0.67 -0.31 0.23 0.00 0.00 0.00 178.15 178.71 3mof n MET 173 N -4.18 0.08 -4.32 2.37 2.81 -0.17 -3.12 117.12 110.60 3mof n MET 173 Ca -0.12 0.04 -0.19 0.00 -1.81 0.00 0.00 57.70 55.62 3mof n MET 173 Cb 0.75 -1.57 -0.09 0.00 -0.71 0.00 0.00 33.22 31.61 3mof n MET 173 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3mof s THR 174 N -3.04 0.19 -0.25 2.03 -4.23 -0.16 -1.34 115.64 108.84 3mof s THR 174 Ca 0.11 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.46 3mof s THR 174 Cb 0.17 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.48 3mof s THR 174 CO 0.64 0.00 0.42 -0.13 -0.54 0.00 0.00 174.62 175.01 3mof s ARG 175 N -3.72 4.08 -0.02 3.99 3.00 -1.08 -4.64 118.95 120.56 3mof s ARG 175 Ca 0.37 0.17 0.03 0.00 0.00 0.00 0.00 55.73 56.30 3mof s ARG 175 Cb 0.04 -3.62 -0.00 0.00 0.00 0.00 0.00 34.95 31.37 3mof s ARG 175 CO 0.20 -0.22 -0.10 1.41 0.00 0.00 0.00 175.30 176.58 3mof s MET 176 N 1.90 1.04 0.00 3.54 1.75 -1.26 -0.32 119.30 125.95 3mof s MET 176 Ca 0.18 -0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.26 3mof s MET 176 Cb -0.15 -0.97 0.00 0.00 2.84 0.00 0.00 34.83 36.55 3mof s MET 176 CO 0.09 0.16 0.00 0.41 -0.65 0.00 0.00 175.02 175.03 3mof n GLY 177 N 3.15 0.72 0.29 2.11 0.00 -0.44 -4.25 105.19 106.78 3mof n GLY 177 Ca -0.17 -1.98 -0.06 0.00 0.00 0.00 0.00 46.02 43.81 3mof n GLY 177 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mof h THR 178 N 0.00 1.23 -0.86 2.61 2.02 -1.61 -1.77 112.91 114.52 3mof h THR 178 Ca 0.00 -0.67 0.22 0.00 0.77 0.00 0.00 66.41 66.74 3mof h THR 178 Cb 0.00 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 3mof h THR 178 CO 0.00 0.27 0.60 0.77 0.37 0.00 0.00 175.52 177.53 3mof h SER 179 N 0.96 0.20 -0.04 4.18 4.64 -1.89 -1.11 113.55 120.50 3mof h SER 179 Ca 0.23 0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.34 3mof h SER 179 Cb 0.14 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3mof h SER 179 CO -0.03 0.08 -0.89 0.58 -0.87 0.00 0.00 176.83 175.70 3mof h VAL 180 N 0.20 1.30 -0.88 0.95 2.07 -1.63 -0.57 116.25 117.69 3mof h VAL 180 Ca 0.43 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.83 3mof h VAL 180 Cb 1.38 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 33.41 3mof h VAL 180 CO -0.09 0.66 0.57 -0.07 0.02 0.00 0.00 177.57 178.66 3mof h LEU 181 N 0.34 1.02 -0.45 2.57 3.38 -1.27 0.14 115.31 121.05 3mof h LEU 181 Ca -0.10 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3mof h LEU 181 Cb 1.55 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3mof h LEU 181 CO 0.18 0.74 -0.32 -0.33 0.09 0.00 0.00 178.44 178.80 3mof h GLU 182 N 1.19 0.95 -0.42 1.13 5.08 -1.17 -2.79 114.58 118.56 3mof h GLU 182 Ca 0.32 -0.46 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3mof h GLU 182 Cb -0.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3mof h GLU 182 CO -0.07 1.12 0.04 0.00 -1.00 0.00 0.00 179.01 179.11 3mof h ALA 183 N 0.83 1.29 -0.22 3.43 0.00 -0.69 -3.27 119.26 120.64 3mof h ALA 183 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3mof h ALA 183 Cb 0.91 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3mof h ALA 183 CO 0.08 0.49 -0.15 1.25 0.00 0.00 0.00 179.25 180.92 3mof h LEU 184 N 0.62 0.52 0.00 0.00 5.85 -0.58 -3.48 115.31 118.25 3mof h LEU 184 Ca 0.13 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3mof h LEU 184 Cb 0.33 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3mof h LEU 184 CO 0.01 0.85 0.00 0.61 -0.34 0.00 0.00 178.44 179.56 3mof n GLY 185 N 0.07 2.85 1.03 3.75 0.00 -1.07 -1.02 105.19 110.80 3mof n GLY 185 Ca -0.05 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.88 3mof n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mof n ASP 186 N 2.10 2.91 -4.75 1.61 5.68 -1.26 -4.75 116.55 118.10 3mof n ASP 186 Ca 0.00 -2.32 -0.29 0.00 -0.50 0.00 0.00 54.79 51.68 3mof n ASP 186 Cb 0.00 -0.49 0.14 0.00 -1.14 0.00 0.00 41.12 39.64 3mof n ASP 186 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3mof s GLY 187 N -0.57 1.58 0.44 6.12 0.00 -0.19 -5.04 107.32 109.66 3mof s GLY 187 Ca 0.26 -0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.35 3mof s GLY 187 CO 0.10 0.16 1.18 1.85 0.00 0.00 0.00 173.10 176.39 3mof s GLU 188 N -5.13 3.85 0.01 2.90 2.12 -1.26 -5.02 118.70 116.16 3mof s GLU 188 Ca 0.64 1.82 -0.12 0.00 0.36 0.00 0.00 54.97 57.67 3mof s GLU 188 Cb -0.16 -2.50 0.01 0.00 0.26 0.00 0.00 34.13 31.74 3mof s GLU 188 CO 0.55 -0.49 0.24 -0.59 -0.54 0.00 0.00 175.26 174.44 3mof s PHE 189 N -1.49 -0.06 -0.01 5.30 -0.71 -1.26 -4.63 117.98 115.12 3mof s PHE 189 Ca 0.61 -0.01 -0.28 0.00 -1.04 0.00 0.00 56.93 56.22 3mof s PHE 189 Cb -0.30 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 3mof s PHE 189 CO 0.37 -0.40 0.88 0.42 -1.34 0.00 0.00 175.22 175.14 3mof s ILE 190 N -1.88 4.89 -0.26 -4.49 -1.09 -0.40 -4.95 121.20 113.01 3mof s ILE 190 Ca -0.10 1.84 -0.21 0.00 -2.23 0.00 0.00 60.65 59.95 3mof s ILE 190 Cb -0.04 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 3mof s ILE 190 CO 0.00 0.22 0.66 -0.54 -1.23 0.00 0.00 174.94 174.05 3mof s LYS 191 N 0.79 4.08 -0.18 2.79 1.02 -0.45 -1.87 119.74 125.91 3mof s LYS 191 Ca 0.46 0.56 0.01 0.00 0.02 0.00 0.00 55.97 57.02 3mof s LYS 191 Cb -0.20 -3.67 0.03 0.00 -0.52 0.00 0.00 37.83 33.47 3mof s LYS 191 CO 0.25 -0.47 -0.14 0.00 -0.92 0.00 0.00 175.35 174.07 3mof s LEU 193 N 1.38 2.37 -0.02 0.00 2.96 0.40 -0.48 118.68 125.29 3mof s LEU 193 Ca 0.02 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3mof s LEU 193 Cb -0.15 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.04 3mof s LEU 193 CO -0.10 0.13 -0.09 -2.28 -1.32 0.00 0.00 176.35 172.69 3mof s HIS 194 N 0.55 0.90 0.00 5.38 5.65 0.38 -0.89 115.29 127.26 3mof s HIS 194 Ca -0.11 -0.22 0.00 0.00 0.25 0.00 0.00 55.06 54.99 3mof s HIS 194 Cb -0.16 -0.64 -0.00 0.00 -1.18 0.00 0.00 32.58 30.60 3mof s HIS 194 CO 0.04 -0.09 -0.02 0.45 -0.65 0.00 0.00 174.74 174.48 3mof s SER 195 N 0.17 0.17 0.16 9.88 0.15 -0.52 -3.65 113.70 120.05 3mof s SER 195 Ca -0.03 -0.05 0.19 0.00 0.70 0.00 0.00 55.95 56.77 3mof s SER 195 Cb -0.08 -0.01 0.81 0.00 -1.71 0.00 0.00 66.02 65.03 3mof s SER 195 CO 0.00 0.00 1.59 1.33 1.20 0.00 0.00 173.24 177.36 3mof n VAL 196 N 2.98 0.96 -2.71 4.45 0.24 -1.26 -0.29 118.33 122.69 3mof n VAL 196 Ca -0.13 0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 62.34 3mof n VAL 196 Cb 0.59 -1.15 0.02 0.00 -1.47 0.00 0.00 33.84 31.84 3mof n VAL 196 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mof n GLY 197 N -0.14 0.13 2.45 7.63 0.00 -1.26 -3.23 105.19 110.76 3mof n GLY 197 Ca 0.02 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3mof n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mof s PRO 199 N -2.55 2.39 0.13 0.00 0.04 -1.13 -4.84 135.00 129.03 3mof s PRO 199 Ca 0.42 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.09 3mof s PRO 199 Cb 0.27 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.88 3mof s PRO 199 CO -0.09 -1.63 0.46 -0.51 0.04 0.00 0.00 177.00 175.27 3mof s LEU 200 N -4.89 4.31 0.40 -3.56 1.43 -0.53 -3.61 118.68 112.23 3mof s LEU 200 Ca 0.74 0.88 -0.25 0.00 -1.03 0.00 0.00 54.13 54.47 3mof s LEU 200 Cb -0.28 -3.20 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 3mof s LEU 200 CO 0.42 0.11 1.16 -2.16 0.23 0.00 0.00 176.35 176.11 3mof s PRO 201 N -2.12 4.08 0.18 1.29 0.04 -1.26 -4.52 135.00 132.69 3mof s PRO 201 Ca 0.37 1.81 -0.33 0.00 0.04 0.00 0.00 61.00 62.90 3mof s PRO 201 Cb -0.14 -2.68 -0.13 0.00 0.04 0.00 0.00 34.50 31.60 3mof s PRO 201 CO 0.19 -0.29 1.68 1.28 0.04 0.00 0.00 177.00 179.90 3mof n LEU 202 N 0.09 3.67 0.03 -3.56 4.77 -1.24 -4.90 117.00 115.86 3mof n LEU 202 Ca 0.04 1.06 0.11 0.00 -0.03 0.00 0.00 56.01 57.20 3mof n LEU 202 Cb 0.47 -1.52 -0.08 0.00 -2.33 0.00 0.00 43.42 39.96 3mof n LEU 202 CO 0.50 0.01 -0.34 0.29 -1.33 0.00 0.00 177.39 176.53 3mof n LYS 203 N 3.87 0.51 -4.38 3.23 5.02 -1.26 -4.93 118.16 120.22 3mof n LYS 203 Ca 0.17 -0.06 -0.26 0.00 -2.02 0.00 0.00 58.31 56.14 3mof n LYS 203 Cb 0.33 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.61 3mof n LYS 203 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mof s LYS 204 N -3.37 1.40 0.31 1.97 1.02 -1.26 -5.13 119.74 114.69 3mof s LYS 204 Ca -0.02 -1.43 -0.29 0.00 0.02 0.00 0.00 55.97 54.25 3mof s LYS 204 Cb 0.13 -1.69 -0.10 0.00 -0.52 0.00 0.00 37.83 35.65 3mof s LYS 204 CO 0.85 0.37 1.26 -2.14 -0.92 0.00 0.00 175.35 174.77 3mof s PRO 205 N -2.51 4.42 -0.07 -1.68 0.02 -1.26 -4.99 135.00 128.94 3mof s PRO 205 Ca 0.17 2.12 -0.30 0.00 0.02 0.00 0.00 61.00 63.01 3mof s PRO 205 Cb -0.08 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 3mof s PRO 205 CO 0.08 -0.10 1.11 -1.17 -0.33 0.00 0.00 177.00 176.59 3mof s LEU 206 N -1.65 4.27 -0.22 -5.54 2.96 -1.26 -5.05 118.68 112.20 3mof s LEU 206 Ca 0.48 1.70 -0.09 0.00 -0.22 0.00 0.00 54.13 56.00 3mof s LEU 206 Cb -0.38 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.71 3mof s LEU 206 CO 0.50 -0.51 0.12 -0.69 -1.32 0.00 0.00 176.35 174.44 3mof s VAL 207 N 2.05 5.06 -1.52 1.68 1.01 -1.26 -4.53 120.40 122.89 3mof s VAL 207 Ca 0.53 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.45 3mof s VAL 207 Cb -0.22 -3.33 0.08 0.00 0.00 0.00 0.00 36.38 32.91 3mof s VAL 207 CO 0.21 0.39 0.95 0.59 0.00 0.00 0.00 175.10 177.24 3mof n ASN 208 N 4.06 -4.89 -3.59 3.32 3.02 -1.26 -1.31 115.26 114.61 3mof n ASN 208 Ca -0.16 -0.73 -0.25 0.00 -0.03 0.00 0.00 54.58 53.42 3mof n ASN 208 Cb 0.52 -3.91 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 3mof n ASN 208 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mof n ASN 209 N -2.79 -2.39 -4.09 6.41 3.02 -1.26 -4.72 115.26 109.43 3mof n ASN 209 Ca 0.04 -0.49 -0.35 0.00 -0.03 0.00 0.00 54.58 53.75 3mof n ASN 209 Cb 0.53 -2.05 -0.12 0.00 -0.61 0.00 0.00 39.78 37.53 3mof n ASN 209 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3mof s TRP 210 N -2.82 3.57 0.07 3.10 -0.11 -0.43 -4.77 118.94 117.55 3mof s TRP 210 Ca 0.47 -2.58 -0.31 0.00 1.22 0.00 0.00 56.10 54.89 3mof s TRP 210 Cb -0.26 -3.16 -0.08 0.00 -1.50 0.00 0.00 33.47 28.47 3mof s TRP 210 CO 0.57 -0.94 1.56 0.00 -4.62 0.00 0.00 176.95 173.52 3mof s ALA 211 N 0.86 3.66 0.04 5.86 0.00 -1.26 -4.48 121.76 126.45 3mof s ALA 211 Ca 0.10 1.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 3mof s ALA 211 Cb -0.22 -3.65 0.09 0.00 0.00 0.00 0.00 23.12 19.34 3mof s ALA 211 CO -0.04 -0.97 1.01 0.00 0.00 0.00 0.00 175.76 175.75 3mof n ASN 213 N -0.36 -1.09 -0.19 0.00 2.85 0.12 -4.83 115.26 111.75 3mof n ASN 213 Ca -0.07 -2.51 -0.05 0.00 -0.11 0.00 0.00 54.58 51.85 3mof n ASN 213 Cb 0.61 -0.06 0.05 0.00 1.24 0.00 0.00 39.78 41.62 3mof n ASN 213 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mof h PRO 214 N 5.41 0.66 -0.99 1.20 0.11 -1.93 -1.81 132.00 134.64 3mof h PRO 214 Ca 0.21 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.47 3mof h PRO 214 Cb 0.95 -0.15 -0.10 0.00 0.11 0.00 0.00 31.00 31.82 3mof h PRO 214 CO 0.30 0.44 0.61 0.93 -0.21 0.00 0.00 178.00 180.07 3mof h GLU 215 N 0.68 0.71 -0.40 1.05 3.07 -1.95 -2.33 114.58 115.41 3mof h GLU 215 Ca 0.23 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3mof h GLU 215 Cb 0.03 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 3mof h GLU 215 CO -0.10 0.47 0.00 1.28 -1.40 0.00 0.00 179.01 179.26 3mof n LEU 216 N -4.70 3.34 -4.66 1.33 4.77 -0.86 -5.00 117.00 111.23 3mof n LEU 216 Ca 0.22 -1.60 -0.47 0.00 -0.03 0.00 0.00 56.01 54.14 3mof n LEU 216 Cb 0.56 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 3mof n LEU 216 CO 0.24 0.75 1.12 0.41 -1.33 0.00 0.00 177.39 178.58 3mof n THR 217 N 1.32 0.12 -3.66 -5.08 -1.04 -0.74 -4.70 114.28 100.50 3mof n THR 217 Ca 0.18 -0.03 -0.07 0.00 -2.04 0.00 0.00 64.05 62.09 3mof n THR 217 Cb 0.56 -1.42 -0.08 0.00 -1.82 0.00 0.00 70.33 67.57 3mof n THR 217 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3mof s LEU 218 N 0.75 -0.72 -0.30 -4.42 2.96 -0.49 -4.88 118.68 111.58 3mof s LEU 218 Ca 0.78 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 56.03 3mof s LEU 218 Cb -0.72 1.99 0.08 0.00 0.50 0.00 0.00 46.19 48.04 3mof s LEU 218 CO 0.41 -0.22 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.55 3mof s ILE 219 N 1.88 2.27 0.06 6.68 1.09 0.10 -1.09 121.20 132.19 3mof s ILE 219 Ca -0.08 -1.93 0.06 0.00 -1.10 0.00 0.00 60.65 57.60 3mof s ILE 219 Cb -0.08 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.80 3mof s ILE 219 CO -0.17 -0.28 -0.13 0.00 -0.10 0.00 0.00 174.94 174.25 3mof s ALA 220 N 1.02 2.79 -0.07 9.38 0.00 0.24 -0.78 121.76 134.34 3mof s ALA 220 Ca -0.00 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.79 3mof s ALA 220 Cb -0.20 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.08 3mof s ALA 220 CO -0.06 0.60 -0.13 -1.01 0.00 0.00 0.00 175.76 175.17 3mof s HIS 221 N -1.04 1.55 -0.63 0.00 3.76 -0.63 -1.16 115.29 117.15 3mof s HIS 221 Ca 0.17 -0.61 0.05 0.00 -0.15 0.00 0.00 55.06 54.52 3mof s HIS 221 Cb -0.11 -1.14 0.17 0.00 1.11 0.00 0.00 32.58 32.61 3mof s HIS 221 CO 0.08 -0.32 0.45 -0.51 -0.85 0.00 0.00 174.74 173.59 3mof s LEU 222 N 0.76 4.03 0.35 0.89 1.02 0.54 -0.80 118.68 125.48 3mof s LEU 222 Ca -0.13 -3.63 0.04 0.00 0.02 0.00 0.00 54.13 50.44 3mof s LEU 222 Cb -0.16 -1.37 0.66 0.00 0.02 0.00 0.00 46.19 45.35 3mof s LEU 222 CO 0.03 -0.11 1.93 1.55 0.02 0.00 0.00 176.35 179.76 3mof h PRO 223 N 5.52 0.57 0.00 1.29 0.13 -1.78 -0.67 132.00 137.07 3mof h PRO 223 Ca 0.16 -0.09 -0.05 0.00 -0.87 0.00 0.00 66.00 65.15 3mof h PRO 223 Cb 0.80 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 3mof h PRO 223 CO 0.64 0.51 -0.26 -0.44 -0.23 0.00 0.00 178.00 178.23 3mof h ASP 224 N 0.57 0.00 0.04 1.44 3.32 -1.94 -2.43 116.42 117.41 3mof h ASP 224 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3mof h ASP 224 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3mof h ASP 224 CO -0.01 0.26 -0.20 0.54 -1.72 0.00 0.00 179.24 178.11 3mof n ARG 225 N -3.70 1.51 -3.81 3.56 1.74 -0.38 -4.97 116.66 110.62 3mof n ARG 225 Ca -0.01 -1.11 -0.24 0.00 -0.77 0.00 0.00 57.85 55.71 3mof n ARG 225 Cb 0.37 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.35 3mof n ARG 225 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mof n ARG 226 N 0.23 -4.57 -4.66 5.56 5.12 -0.50 -4.87 116.66 112.98 3mof n ARG 226 Ca 0.13 0.56 -0.24 0.00 -1.93 0.00 0.00 57.85 56.37 3mof n ARG 226 Cb 0.45 -5.07 -0.14 0.00 -1.16 0.00 0.00 32.46 26.54 3mof n ARG 226 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3mof s GLU 227 N -6.24 1.31 -0.06 5.56 2.02 -0.79 -1.35 118.70 119.16 3mof s GLU 227 Ca 0.12 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.36 3mof s GLU 227 Cb -0.06 -1.35 -0.01 0.00 0.10 0.00 0.00 34.13 32.81 3mof s GLU 227 CO 0.84 0.35 -0.23 0.42 0.02 0.00 0.00 175.26 176.66 3mof s ILE 228 N -0.68 1.88 -0.16 -1.63 1.01 0.14 -0.34 121.20 121.42 3mof s ILE 228 Ca 0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 3mof s ILE 228 Cb -0.08 -1.60 0.05 0.00 0.01 0.00 0.00 42.46 40.84 3mof s ILE 228 CO 0.01 0.52 0.04 -0.63 0.00 0.00 0.00 174.94 174.88 3mof s ILE 229 N 0.02 0.41 -0.11 2.92 1.01 -0.31 -0.45 121.20 124.69 3mof s ILE 229 Ca -0.07 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3mof s ILE 229 Cb -0.14 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.48 3mof s ILE 229 CO 0.04 -0.12 -0.12 -0.55 0.00 0.00 0.00 174.94 174.20 3mof s SER 230 N 1.92 2.23 -0.03 3.58 0.15 -0.06 -0.60 113.70 120.88 3mof s SER 230 Ca 0.01 -0.36 0.04 0.00 0.70 0.00 0.00 55.95 56.34 3mof s SER 230 Cb -0.16 -0.95 -0.00 0.00 -1.71 0.00 0.00 66.02 63.20 3mof s SER 230 CO -0.07 -0.04 -0.15 0.12 1.20 0.00 0.00 173.24 174.29 3mof s PHE 231 N 1.26 1.50 0.00 3.44 5.36 -0.25 -1.44 117.98 127.84 3mof s PHE 231 Ca -0.02 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 55.55 3mof s PHE 231 Cb -0.14 -1.01 0.00 0.00 -0.34 0.00 0.00 43.02 41.53 3mof s PHE 231 CO -0.04 -0.12 0.00 0.41 -1.46 0.00 0.00 175.22 174.00 3mof n GLY 232 N 3.08 1.76 3.36 13.12 0.00 0.60 -1.40 105.19 125.71 3mof n GLY 232 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3mof n GLY 232 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mof s SER 233 N -2.15 3.80 0.00 1.61 0.15 -1.26 0.12 113.70 115.97 3mof s SER 233 Ca 0.00 -0.35 0.23 0.00 0.70 0.00 0.00 55.95 56.53 3mof s SER 233 Cb 0.00 -1.33 0.15 0.00 -1.71 0.00 0.00 66.02 63.13 3mof s SER 233 CO 0.00 0.21 1.17 0.61 1.20 0.00 0.00 173.24 176.44 3mof n GLY 234 N 3.19 -0.78 3.72 9.45 0.00 -1.26 -4.40 105.19 115.11 3mof n GLY 234 Ca -0.18 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3mof n GLY 234 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3mof s TYR 235 N -2.81 3.66 0.00 1.61 5.04 -1.26 -4.66 117.35 118.92 3mof s TYR 235 Ca 0.14 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 3mof s TYR 235 Cb 0.17 -2.94 0.00 0.00 0.35 0.00 0.00 41.96 39.55 3mof s TYR 235 CO 0.71 0.10 0.00 0.41 -1.34 0.00 0.00 175.55 175.43 3mof n GLY 236 N 2.83 1.80 0.36 8.97 0.00 -1.26 -0.38 105.19 117.51 3mof n GLY 236 Ca 0.01 0.23 0.16 0.00 0.00 0.00 0.00 46.02 46.43 3mof n GLY 236 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3mof h GLY 237 N 0.00 0.00 1.24 -0.02 0.00 -1.93 -1.05 103.07 101.31 3mof h GLY 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mof h GLY 237 CO 0.00 0.00 -0.74 3.43 0.00 0.00 0.00 176.54 179.23 3mof h ASN 238 N 0.00 0.00 0.00 0.19 2.35 -1.06 -3.42 115.58 113.65 3mof h ASN 238 Ca 0.08 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3mof h ASN 238 Cb 1.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.39 3mof h ASN 238 CO -0.00 0.01 -0.89 -1.54 -1.65 0.00 0.00 177.43 173.36 3mof n SER 239 N -2.73 4.43 -4.45 5.81 3.41 -0.72 -4.84 113.62 114.52 3mof n SER 239 Ca 0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.19 3mof n SER 239 Cb 0.54 0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 3mof n SER 239 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mof s LEU 240 N -3.44 4.91 0.42 1.04 1.43 -0.48 -4.87 118.68 117.69 3mof s LEU 240 Ca 0.00 -1.89 0.23 0.00 -1.03 0.00 0.00 54.13 51.45 3mof s LEU 240 Cb 0.00 -2.41 0.72 0.00 0.03 0.00 0.00 46.19 44.53 3mof s LEU 240 CO 0.00 -1.13 1.74 -0.07 0.23 0.00 0.00 176.35 177.12 3mof h LEU 241 N 10.62 0.00 -1.85 1.79 3.38 -1.88 -3.04 115.31 124.34 3mof h LEU 241 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3mof h LEU 241 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3mof h LEU 241 CO 1.13 0.22 -0.04 1.23 0.09 0.00 0.00 178.44 181.07 3mof h GLY 242 N 2.63 0.05 0.00 0.83 0.00 -1.97 -0.97 103.07 103.64 3mof h GLY 242 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3mof h GLY 242 CO 0.03 0.02 0.00 1.17 0.00 0.00 0.00 176.54 177.76 3mof n LYS 243 N -4.46 0.00 -0.01 4.80 4.81 -1.15 -0.83 118.16 121.32 3mof n LYS 243 Ca -0.02 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.22 3mof n LYS 243 Cb 0.14 -0.41 -0.14 0.00 0.02 0.00 0.00 35.03 34.64 3mof n LYS 243 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3mof h LYS 244 N 0.00 0.19 -0.06 1.64 1.79 -1.77 -1.75 116.57 116.61 3mof h LYS 244 Ca 0.00 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.14 3mof h LYS 244 Cb 0.00 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3mof h LYS 244 CO 0.00 1.16 0.03 0.00 -1.08 0.00 0.00 179.45 179.56 3mof h PHE 246 N 0.01 0.00 0.00 0.00 3.04 -1.28 -0.41 116.94 118.29 3mof h PHE 246 Ca 0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3mof h PHE 246 Cb 0.08 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.59 3mof h PHE 246 CO -0.05 0.07 0.00 0.00 -2.02 0.00 0.00 178.31 176.31 3mof h ALA 247 N -0.96 1.00 0.00 2.41 0.00 -0.05 0.16 119.26 121.82 3mof h ALA 247 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3mof h ALA 247 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3mof h ALA 247 CO -0.01 0.00 -1.24 1.28 0.00 0.00 0.00 179.25 179.29 3mof n LEU 248 N -2.59 1.23 0.17 0.00 4.77 -0.76 -4.58 117.00 115.24 3mof n LEU 248 Ca 0.03 0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 56.13 3mof n LEU 248 Cb 0.35 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 3mof n LEU 248 CO 0.27 -0.05 0.21 0.03 -1.33 0.00 0.00 177.39 176.51 3mof h ARG 249 N -0.51 -0.48 -0.28 3.23 3.08 -1.05 0.23 114.38 118.60 3mof h ARG 249 Ca -0.21 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3mof h ARG 249 Cb 0.97 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 3mof h ARG 249 CO -0.12 -0.31 0.15 0.82 -1.07 0.00 0.00 179.97 179.43 3mof h ILE 250 N -1.13 1.13 -1.00 2.04 1.08 -1.07 -3.17 117.51 115.40 3mof h ILE 250 Ca -0.05 -0.37 0.06 0.00 -0.39 0.00 0.00 64.86 64.11 3mof h ILE 250 Cb 0.39 0.87 -0.07 0.00 -3.07 0.00 0.00 36.82 34.94 3mof h ILE 250 CO 0.08 0.14 0.65 0.00 -0.69 0.00 0.00 178.15 178.33 3mof h ALA 251 N 1.01 1.38 -0.29 1.87 0.00 -0.74 -1.37 119.26 121.13 3mof h ALA 251 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mof h ALA 251 Cb 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3mof h ALA 251 CO -0.01 0.45 0.05 0.66 0.00 0.00 0.00 179.25 180.39 3mof h SER 252 N 1.18 0.39 -0.10 0.00 4.64 -0.51 0.86 113.55 120.01 3mof h SER 252 Ca 0.43 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.54 3mof h SER 252 Cb 0.15 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3mof h SER 252 CO -0.17 0.42 -0.55 -0.09 -0.87 0.00 0.00 176.83 175.57 3mof h ARG 253 N 0.42 0.55 -0.91 4.77 1.12 -1.39 -1.90 114.38 117.04 3mof h ARG 253 Ca 0.10 -0.46 0.00 0.00 -1.11 0.00 0.00 59.98 58.51 3mof h ARG 253 Cb 0.21 0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.22 3mof h ARG 253 CO 0.00 1.08 0.58 -0.07 -3.11 0.00 0.00 179.97 178.46 3mof h LEU 254 N 0.16 1.06 -0.29 3.80 3.38 -0.76 -2.24 115.31 120.42 3mof h LEU 254 Ca -0.04 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3mof h LEU 254 Cb 1.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3mof h LEU 254 CO 0.11 0.79 -0.03 0.00 0.09 0.00 0.00 178.44 179.40 3mof h ALA 255 N 1.40 0.39 -0.81 1.53 0.00 -0.78 -0.37 119.26 120.62 3mof h ALA 255 Ca 0.33 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.10 3mof h ALA 255 Cb -0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.50 3mof h ALA 255 CO -0.07 0.17 0.44 -0.22 0.00 0.00 0.00 179.25 179.57 3mof h LYS 256 N 0.30 0.68 -0.05 0.00 3.64 -1.16 0.29 116.57 120.28 3mof h LYS 256 Ca 0.08 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 3mof h LYS 256 Cb 0.48 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3mof h LYS 256 CO 0.02 0.45 -0.42 0.93 -2.27 0.00 0.00 179.45 178.17 3mof h GLU 257 N 0.70 0.10 -0.00 1.90 5.08 -0.78 -3.32 114.58 118.26 3mof h GLU 257 Ca 0.41 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3mof h GLU 257 Cb 0.46 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3mof h GLU 257 CO -0.29 0.50 -0.29 0.39 -1.00 0.00 0.00 179.01 178.33 3mof n GLU 258 N -4.03 4.68 -0.41 2.33 1.02 -0.21 -5.01 120.64 119.00 3mof n GLU 258 Ca -0.02 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3mof n GLU 258 Cb 0.46 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 3mof n GLU 258 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mof n GLY 259 N 1.12 1.45 0.00 0.62 0.00 0.87 -5.04 105.19 104.21 3mof n GLY 259 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3mof n GLY 259 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3mof n TRP 260 N -1.18 0.00 -4.07 1.61 4.27 -0.34 -4.72 117.44 113.02 3mof n TRP 260 Ca 0.00 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.47 3mof n TRP 260 Cb 0.09 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 29.90 3mof n TRP 260 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3mof s LEU 261 N 0.00 2.02 -0.13 5.67 1.43 0.13 -4.09 118.68 123.71 3mof s LEU 261 Ca 0.00 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3mof s LEU 261 Cb 0.00 -0.18 0.03 0.00 0.03 0.00 0.00 46.19 46.07 3mof s LEU 261 CO 0.00 0.03 -0.08 0.00 0.23 0.00 0.00 176.35 176.52 3mof s ALA 262 N -0.16 1.49 0.07 4.21 0.00 -1.26 -0.30 121.76 125.81 3mof s ALA 262 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3mof s ALA 262 Cb -0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 3mof s ALA 262 CO -0.00 -0.51 -0.07 -1.21 0.00 0.00 0.00 175.76 173.97 3mof s GLU 263 N 1.64 0.69 -1.34 0.00 0.41 0.12 -4.66 118.70 115.56 3mof s GLU 263 Ca 0.04 -1.08 -0.14 0.00 -0.41 0.00 0.00 54.97 53.38 3mof s GLU 263 Cb -0.13 -0.23 0.10 0.00 -1.78 0.00 0.00 34.13 32.08 3mof s GLU 263 CO -0.09 0.01 1.91 1.58 -0.49 0.00 0.00 175.26 178.19 3mof n HIS 264 N 0.62 3.86 -4.05 1.61 -0.00 -1.26 -1.76 115.22 114.24 3mof n HIS 264 Ca -0.17 -2.96 -0.16 0.00 0.46 0.00 0.00 57.72 54.89 3mof n HIS 264 Cb 0.58 -2.37 -0.15 0.00 -0.12 0.00 0.00 29.99 27.93 3mof n HIS 264 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 3mof s MET 265 N 2.49 0.40 0.68 1.57 -1.94 -0.66 -4.10 119.30 117.74 3mof s MET 265 Ca 0.46 -0.06 -0.14 0.00 -1.71 0.00 0.00 55.69 54.24 3mof s MET 265 Cb 0.08 -0.46 0.01 0.00 2.01 0.00 0.00 34.83 36.47 3mof s MET 265 CO -0.01 -0.01 1.10 -0.48 -0.01 0.00 0.00 175.02 175.60 3mof s LEU 266 N 0.44 3.31 -0.11 -0.03 0.05 -0.77 -2.33 118.68 119.25 3mof s LEU 266 Ca -0.05 1.94 0.01 0.00 0.05 0.00 0.00 54.13 56.08 3mof s LEU 266 Cb -0.08 -4.54 0.02 0.00 -2.05 0.00 0.00 46.19 39.54 3mof s LEU 266 CO -0.01 -1.69 -0.12 -0.63 -0.55 0.00 0.00 176.35 173.35 3mof s ILE 267 N -2.49 1.33 0.09 1.48 1.01 -0.34 -1.63 121.20 120.65 3mof s ILE 267 Ca 0.65 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.84 3mof s ILE 267 Cb -0.19 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 3mof s ILE 267 CO 0.45 0.41 -0.14 -1.48 0.00 0.00 0.00 174.94 174.18 3mof s LEU 268 N 1.28 2.33 -0.17 2.97 0.05 -0.18 -0.73 118.68 124.23 3mof s LEU 268 Ca -0.01 -0.70 -0.06 0.00 0.05 0.00 0.00 54.13 53.41 3mof s LEU 268 Cb -0.14 -0.51 -0.04 0.00 -2.05 0.00 0.00 46.19 43.45 3mof s LEU 268 CO -0.05 -0.11 0.03 -0.83 -0.55 0.00 0.00 176.35 174.83 3mof s GLY 269 N -2.04 1.85 -0.11 -3.48 0.00 0.66 -0.88 107.32 103.32 3mof s GLY 269 Ca 0.02 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.00 3mof s GLY 269 CO 0.02 -0.00 -0.18 -1.50 0.00 0.00 0.00 173.10 171.44 3mof s ILE 270 N 0.32 2.57 -0.10 0.90 2.07 0.12 -0.40 121.20 126.67 3mof s ILE 270 Ca 0.01 -0.84 0.03 0.00 -1.41 0.00 0.00 60.65 58.45 3mof s ILE 270 Cb -0.13 -2.04 -0.00 0.00 0.13 0.00 0.00 42.46 40.42 3mof s ILE 270 CO 0.01 0.54 -0.22 -0.89 -1.91 0.00 0.00 174.94 172.47 3mof s THR 271 N 0.31 2.23 0.77 4.00 2.01 0.50 -0.83 115.64 124.62 3mof s THR 271 Ca -0.14 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 60.82 3mof s THR 271 Cb -0.17 -1.86 0.11 0.00 0.01 0.00 0.00 72.50 70.59 3mof s THR 271 CO 0.07 0.56 1.08 0.54 -0.69 0.00 0.00 174.62 176.18 3mof s ASN 272 N 0.31 4.28 0.45 3.53 2.20 -0.03 -0.51 114.94 125.17 3mof s ASN 272 Ca -0.17 0.20 0.31 0.00 -0.94 0.00 0.00 52.86 52.25 3mof s ASN 272 Cb -0.17 -0.63 1.61 0.00 -2.00 0.00 0.00 41.25 40.05 3mof s ASN 272 CO 0.08 -1.94 1.93 -0.65 -2.94 0.00 0.00 177.10 173.59 3mof h PRO 273 N -0.83 0.00 -0.01 3.55 0.11 -1.87 -0.45 132.00 132.50 3mof h PRO 273 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3mof h PRO 273 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3mof h PRO 273 CO 0.50 0.00 -0.08 0.39 -0.21 0.00 0.00 178.00 178.60 3mof n GLU 274 N -2.59 1.49 -0.53 1.05 -0.58 -1.26 -4.94 120.64 113.27 3mof n GLU 274 Ca -0.02 -0.92 0.00 0.00 -0.42 0.00 0.00 57.16 55.81 3mof n GLU 274 Cb 0.08 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 3mof n GLU 274 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mof n GLY 275 N 1.24 0.76 3.72 0.62 0.00 -0.18 -5.04 105.19 106.30 3mof n GLY 275 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3mof n GLY 275 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mof s LYS 276 N -0.47 4.40 0.00 1.61 2.20 -1.26 -4.78 119.74 121.44 3mof s LYS 276 Ca 0.00 1.89 0.07 0.00 -0.36 0.00 0.00 55.97 57.57 3mof s LYS 276 Cb 0.00 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3mof s LYS 276 CO 0.00 -0.30 -0.22 0.21 -0.36 0.00 0.00 175.35 174.68 3mof s LYS 277 N 0.91 1.70 0.06 4.03 2.20 -1.26 -0.85 119.74 126.53 3mof s LYS 277 Ca 0.60 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 3mof s LYS 277 Cb -0.32 -1.71 -0.03 0.00 -1.51 0.00 0.00 37.83 34.26 3mof s LYS 277 CO 0.30 0.46 -0.07 0.15 -0.36 0.00 0.00 175.35 175.84 3mof s LYS 278 N -0.75 0.60 -0.08 4.03 1.02 -0.01 -4.96 119.74 119.59 3mof s LYS 278 Ca 0.09 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 3mof s LYS 278 Cb -0.09 -0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.98 3mof s LYS 278 CO 0.00 0.01 0.07 0.71 -0.92 0.00 0.00 175.35 175.22 3mof s TYR 279 N -2.14 3.35 0.07 3.18 1.51 -1.25 0.10 117.35 122.17 3mof s TYR 279 Ca -0.04 0.32 0.05 0.00 -1.01 0.00 0.00 57.07 56.39 3mof s TYR 279 Cb -0.05 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 3mof s TYR 279 CO -0.02 0.58 -0.15 -0.51 -1.11 0.00 0.00 175.55 174.35 3mof s LEU 280 N -1.13 2.27 0.07 -1.29 1.43 -0.06 -1.24 118.68 118.72 3mof s LEU 280 Ca 0.16 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 3mof s LEU 280 Cb -0.12 -0.56 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 3mof s LEU 280 CO 0.06 -0.05 -0.20 0.00 0.23 0.00 0.00 176.35 176.39 3mof s ALA 281 N -1.22 2.56 -0.05 4.21 0.00 -0.62 -1.01 121.76 125.62 3mof s ALA 281 Ca -0.01 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 3mof s ALA 281 Cb -0.10 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.41 3mof s ALA 281 CO 0.02 0.57 0.11 0.00 0.00 0.00 0.00 175.76 176.46 3mof s ALA 282 N -0.98 -0.12 -0.37 0.00 0.00 -0.65 0.05 121.76 119.70 3mof s ALA 282 Ca 0.15 0.52 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 3mof s ALA 282 Cb -0.10 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.61 3mof s ALA 282 CO 0.06 -0.20 0.19 0.00 0.00 0.00 0.00 175.76 175.81 3mof s ALA 283 N 1.31 3.24 0.12 0.00 0.00 0.49 -1.84 121.76 125.08 3mof s ALA 283 Ca -0.07 -1.74 0.11 0.00 0.00 0.00 0.00 51.96 50.25 3mof s ALA 283 Cb -0.12 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 3mof s ALA 283 CO -0.05 -1.40 -0.26 -0.06 0.00 0.00 0.00 175.76 173.99 3mof s PHE 284 N 1.52 2.26 1.03 0.00 0.08 -1.26 -2.82 117.98 118.80 3mof s PHE 284 Ca 0.01 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 3mof s PHE 284 Cb -0.19 -1.24 0.21 0.00 -0.57 0.00 0.00 43.02 41.23 3mof s PHE 284 CO 0.06 0.31 1.08 -2.14 -0.10 0.00 0.00 175.22 174.43 3mof s PRO 285 N -1.97 0.14 0.45 0.24 0.02 -1.26 -4.86 135.00 127.76 3mof s PRO 285 Ca 0.13 1.14 -0.23 0.00 0.02 0.00 0.00 61.00 62.07 3mof s PRO 285 Cb -0.10 -1.65 -0.10 0.00 0.02 0.00 0.00 34.50 32.66 3mof s PRO 285 CO 0.05 -3.10 0.86 0.43 -0.33 0.00 0.00 177.00 174.92 3mof n SER 286 N -4.52 0.55 -0.63 2.53 7.64 -1.26 -2.16 113.62 115.77 3mof n SER 286 Ca 0.07 0.96 -0.08 0.00 1.01 0.00 0.00 58.87 60.83 3mof n SER 286 Cb 0.53 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 62.41 3mof n SER 286 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mof n ALA 287 N -0.77 -0.13 -0.11 -0.43 0.00 -1.26 -4.89 120.51 112.92 3mof n ALA 287 Ca 0.11 0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.69 3mof n ALA 287 Cb 0.40 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.69 3mof n ALA 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mof n GLY 289 N -0.56 1.14 0.10 0.00 0.00 -1.26 -4.92 105.19 99.68 3mof n GLY 289 Ca 0.02 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 3mof n GLY 289 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mof h LYS 290 N 0.00 0.21 -0.66 1.61 1.57 -1.87 -2.21 116.57 115.22 3mof h LYS 290 Ca 0.00 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3mof h LYS 290 Cb 0.12 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3mof h LYS 290 CO 0.00 0.19 0.42 1.15 -0.57 0.00 0.00 179.45 180.65 3mof h THR 291 N 0.17 1.12 -0.86 -0.16 2.02 -1.96 0.14 112.91 113.40 3mof h THR 291 Ca 0.06 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.00 3mof h THR 291 Cb 0.04 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 66.59 3mof h THR 291 CO -0.01 0.15 0.53 0.78 0.37 0.00 0.00 175.52 177.35 3mof h ASN 292 N 0.85 0.85 -0.00 4.18 4.21 -1.84 -2.54 115.58 121.29 3mof h ASN 292 Ca 0.26 0.01 -0.25 0.00 1.21 0.00 0.00 56.30 57.53 3mof h ASN 292 Cb -0.04 -0.16 0.01 0.00 -1.12 0.00 0.00 38.32 37.01 3mof h ASN 292 CO -0.08 0.55 -0.94 0.25 -1.29 0.00 0.00 177.43 175.92 3mof h LEU 293 N 0.98 0.87 -1.57 1.61 5.85 -0.76 -2.16 115.31 120.13 3mof h LEU 293 Ca 0.37 -0.65 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 3mof h LEU 293 Cb 0.15 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3mof h LEU 293 CO -0.17 1.45 -0.23 0.00 -0.34 0.00 0.00 178.44 179.15 3mof h ALA 294 N 0.51 1.41 -0.10 1.25 0.00 -0.60 -2.72 119.26 119.01 3mof h ALA 294 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3mof h ALA 294 Cb 1.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3mof h ALA 294 CO 0.18 0.28 0.00 -1.33 0.00 0.00 0.00 179.25 178.39 3mof n MET 295 N -3.96 2.02 -1.58 0.00 2.81 -0.97 -3.76 117.12 111.69 3mof n MET 295 Ca -0.02 -2.58 -0.45 0.00 -1.81 0.00 0.00 57.70 52.84 3mof n MET 295 Cb 0.31 -1.58 -0.02 0.00 -0.71 0.00 0.00 33.22 31.22 3mof n MET 295 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 3mof n MET 296 N -0.98 1.26 -3.19 0.03 0.00 -0.81 -4.52 117.12 108.90 3mof n MET 296 Ca 0.17 0.44 -0.45 0.00 0.00 0.00 0.00 57.70 57.86 3mof n MET 296 Cb 0.69 -1.80 -0.04 0.00 0.00 0.00 0.00 33.22 32.07 3mof n MET 296 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3mof s ASN 297 N -0.52 6.31 0.27 6.12 3.04 -1.26 -4.53 114.94 124.36 3mof s ASN 297 Ca 0.60 -1.78 -0.30 0.00 0.04 0.00 0.00 52.86 51.42 3mof s ASN 297 Cb -0.73 -2.27 -0.11 0.00 -1.54 0.00 0.00 41.25 36.61 3mof s ASN 297 CO 0.59 -0.95 1.55 -2.16 -3.04 0.00 0.00 177.10 173.09 3mof s PRO 298 N 1.97 4.17 0.21 0.43 0.04 -1.26 -4.37 135.00 136.19 3mof s PRO 298 Ca 0.11 2.49 0.11 0.00 0.04 0.00 0.00 61.00 63.75 3mof s PRO 298 Cb -0.22 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.29 3mof s PRO 298 CO 0.02 -0.57 1.42 1.79 0.04 0.00 0.00 177.00 179.69 3mof h THR 299 N 3.48 1.34 -2.99 1.26 1.35 -1.82 -3.45 112.91 112.09 3mof h THR 299 Ca -0.46 -2.71 -0.53 0.00 -0.55 0.00 0.00 66.41 62.15 3mof h THR 299 Cb 1.22 2.54 0.02 0.00 -1.73 0.00 0.00 68.15 70.20 3mof h THR 299 CO 0.80 0.72 0.74 -0.76 -0.25 0.00 0.00 175.52 176.78 3mof s LEU 300 N -6.78 4.36 0.31 3.87 1.43 -1.26 -4.97 118.68 115.64 3mof s LEU 300 Ca 0.02 2.25 -0.29 0.00 -1.03 0.00 0.00 54.13 55.07 3mof s LEU 300 Cb 0.10 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.63 3mof s LEU 300 CO 0.78 -0.66 1.53 -2.84 0.23 0.00 0.00 176.35 175.39 3mof s PRO 301 N 1.44 4.15 0.00 1.29 0.02 -1.26 -2.85 135.00 137.80 3mof s PRO 301 Ca 0.64 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.17 3mof s PRO 301 Cb -0.35 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3mof s PRO 301 CO 0.29 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 3mof n GLY 302 N 1.69 3.24 3.77 0.52 0.00 -1.26 -4.81 105.19 108.34 3mof n GLY 302 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3mof n GLY 302 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mof s TRP 303 N -2.16 3.87 -0.02 1.61 0.52 -1.13 -3.31 118.94 118.32 3mof s TRP 303 Ca 0.00 1.71 0.04 0.00 0.02 0.00 0.00 56.10 57.87 3mof s TRP 303 Cb 0.00 -2.84 -0.01 0.00 -1.15 0.00 0.00 33.47 29.48 3mof s TRP 303 CO 0.00 0.44 -0.14 0.15 0.02 0.00 0.00 176.95 177.41 3mof s LYS 304 N -1.38 1.31 -0.09 4.98 1.02 0.34 -4.79 119.74 121.12 3mof s LYS 304 Ca 0.40 -0.50 0.03 0.00 0.02 0.00 0.00 55.97 55.92 3mof s LYS 304 Cb -0.23 -1.21 -0.01 0.00 -0.52 0.00 0.00 37.83 35.86 3mof s LYS 304 CO 0.27 0.26 -0.19 0.08 -0.92 0.00 0.00 175.35 174.85 3mof s VAL 305 N -0.13 2.57 0.06 3.17 1.01 -1.26 -0.37 120.40 125.44 3mof s VAL 305 Ca 0.01 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.22 3mof s VAL 305 Cb -0.08 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3mof s VAL 305 CO 0.00 0.55 -0.24 -1.61 0.00 0.00 0.00 175.10 173.81 3mof s GLU 306 N 0.06 1.58 -0.21 2.72 2.02 0.46 -4.86 118.70 120.47 3mof s GLU 306 Ca -0.08 -1.08 -0.14 0.00 0.02 0.00 0.00 54.97 53.70 3mof s GLU 306 Cb -0.15 -1.77 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 3mof s GLU 306 CO 0.05 0.45 0.30 0.00 0.02 0.00 0.00 175.26 176.08 3mof n VAL 308 N 4.26 1.58 -3.69 0.00 0.31 0.09 -0.41 118.33 120.47 3mof n VAL 308 Ca -0.11 -0.33 -0.10 0.00 -0.01 0.00 0.00 64.34 63.78 3mof n VAL 308 Cb 0.51 -1.85 -0.04 0.00 -0.91 0.00 0.00 33.84 31.56 3mof n VAL 308 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3mof s GLY 309 N -5.42 -0.18 0.00 2.92 0.00 -0.90 -4.71 107.32 99.04 3mof s GLY 309 Ca -0.31 -0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.32 3mof s GLY 309 CO 0.61 -0.22 0.63 2.09 0.00 0.00 0.00 173.10 176.21 3mof n ASP 310 N -0.33 1.33 0.00 1.64 5.75 -1.26 -1.20 116.55 122.47 3mof n ASP 310 Ca -0.12 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 3mof n ASP 310 Cb 0.63 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 3mof n ASP 310 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3mof n ASP 311 N 0.13 0.00 -3.96 -1.12 2.03 -1.25 -4.16 116.55 108.22 3mof n ASP 311 Ca 0.02 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.14 3mof n ASP 311 Cb 0.09 0.03 -0.15 0.00 -0.72 0.00 0.00 41.12 40.37 3mof n ASP 311 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3mof s ILE 312 N -1.38 0.61 -0.05 5.18 1.01 -0.98 -1.65 121.20 123.94 3mof s ILE 312 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.42 3mof s ILE 312 Cb 0.00 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.92 3mof s ILE 312 CO 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 174.94 175.02 3mof s ALA 313 N 0.27 1.23 -0.19 9.38 0.00 -0.72 -4.19 121.76 127.53 3mof s ALA 313 Ca -0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.43 3mof s ALA 313 Cb -0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3mof s ALA 313 CO 0.00 0.16 -0.05 -1.58 0.00 0.00 0.00 175.76 174.29 3mof s TRP 314 N 0.41 2.96 -0.03 0.00 0.52 -0.77 -0.70 118.94 121.32 3mof s TRP 314 Ca -0.09 -0.72 0.04 0.00 0.02 0.00 0.00 56.10 55.35 3mof s TRP 314 Cb -0.13 -2.04 -0.00 0.00 -1.15 0.00 0.00 33.47 30.14 3mof s TRP 314 CO 0.03 -0.37 -0.14 -1.64 0.02 0.00 0.00 176.95 174.84 3mof s MET 315 N 1.07 1.36 -0.10 4.98 -1.94 0.59 -1.07 119.30 124.19 3mof s MET 315 Ca 0.01 -0.51 -0.08 0.00 -1.71 0.00 0.00 55.69 53.40 3mof s MET 315 Cb -0.15 -1.25 0.03 0.00 2.01 0.00 0.00 34.83 35.48 3mof s MET 315 CO -0.00 0.24 0.25 0.21 -0.01 0.00 0.00 175.02 175.72 3mof s LYS 316 N -0.08 0.27 0.21 2.03 2.20 0.59 -0.69 119.74 124.28 3mof s LYS 316 Ca 0.00 0.40 -0.31 0.00 -0.36 0.00 0.00 55.97 55.70 3mof s LYS 316 Cb -0.09 0.07 -0.11 0.00 -1.51 0.00 0.00 37.83 36.20 3mof s LYS 316 CO 0.01 -0.07 1.64 -0.06 -0.36 0.00 0.00 175.35 176.51 3mof s PHE 317 N 0.44 2.94 0.84 4.03 0.08 -1.26 -1.06 117.98 124.00 3mof s PHE 317 Ca -0.03 0.52 -0.07 0.00 0.12 0.00 0.00 56.93 57.48 3mof s PHE 317 Cb -0.04 -4.05 0.18 0.00 -0.57 0.00 0.00 43.02 38.54 3mof s PHE 317 CO -0.02 -3.87 1.15 0.16 -0.10 0.00 0.00 175.22 172.55 3mof s ASP 318 N 1.04 3.65 0.43 1.36 1.47 -0.51 -4.91 116.67 119.20 3mof s ASP 318 Ca 0.71 -0.23 0.22 0.00 1.18 0.00 0.00 52.55 54.43 3mof s ASP 318 Cb -0.47 0.08 1.21 0.00 -0.34 0.00 0.00 42.92 43.40 3mof s ASP 318 CO 0.34 -2.35 1.64 0.00 0.68 0.00 0.00 175.17 175.49 3mof h ALA 319 N -1.06 1.14 -0.29 2.11 0.00 -1.95 -1.01 119.26 118.20 3mof h ALA 319 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3mof h ALA 319 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3mof h ALA 319 CO 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.46 3mof n GLN 320 N -2.38 2.61 -0.42 0.00 0.00 -1.26 -4.99 117.38 110.94 3mof n GLN 320 Ca -0.01 -1.92 0.00 0.00 0.00 0.00 0.00 57.00 55.07 3mof n GLN 320 Cb 0.22 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.21 3mof n GLN 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mof n GLY 321 N 0.47 0.75 3.74 2.61 0.00 -0.38 -4.84 105.19 107.53 3mof n GLY 321 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3mof n GLY 321 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mof s ASN 322 N -2.55 7.13 -0.52 1.61 0.01 -1.26 0.08 114.94 119.45 3mof s ASN 322 Ca 0.00 2.22 -0.28 0.00 -0.71 0.00 0.00 52.86 54.08 3mof s ASN 322 Cb 0.00 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.06 3mof s ASN 322 CO 0.00 -0.33 1.41 -0.22 -1.51 0.00 0.00 177.10 176.46 3mof s LEU 323 N -0.39 3.46 -0.05 0.60 2.96 -1.26 -1.43 118.68 122.57 3mof s LEU 323 Ca 0.51 0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 54.70 3mof s LEU 323 Cb -0.32 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 3mof s LEU 323 CO 0.37 -1.63 0.46 -0.13 -1.32 0.00 0.00 176.35 174.10 3mof s ARG 324 N 5.33 4.16 -0.02 1.98 1.81 -0.22 -0.18 118.95 131.82 3mof s ARG 324 Ca 0.55 0.46 0.06 0.00 -1.72 0.00 0.00 55.73 55.08 3mof s ARG 324 Cb -0.11 -3.33 -0.01 0.00 -0.45 0.00 0.00 34.95 31.04 3mof s ARG 324 CO 0.27 0.42 -0.19 0.00 -0.68 0.00 0.00 175.30 175.13 3mof s ALA 325 N -0.24 1.58 0.14 2.13 0.00 0.10 -0.30 121.76 125.18 3mof s ALA 325 Ca 0.25 -0.80 0.11 0.00 0.00 0.00 0.00 51.96 51.52 3mof s ALA 325 Cb -0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3mof s ALA 325 CO 0.12 0.37 -0.25 0.96 0.00 0.00 0.00 175.76 176.96 3mof s ILE 326 N -0.35 2.38 -0.34 0.00 -4.36 -0.24 -0.24 121.20 118.06 3mof s ILE 326 Ca 0.05 -1.77 -0.25 0.00 -0.26 0.00 0.00 60.65 58.43 3mof s ILE 326 Cb -0.08 -2.08 0.01 0.00 1.25 0.00 0.00 42.46 41.56 3mof s ILE 326 CO -0.00 0.05 0.85 0.21 0.24 0.00 0.00 174.94 176.29 3mof s ASN 327 N -2.19 6.67 0.00 4.36 2.47 -1.26 -1.85 114.94 123.14 3mof s ASN 327 Ca 0.16 0.62 0.26 0.00 0.42 0.00 0.00 52.86 54.32 3mof s ASN 327 Cb -0.10 -2.43 1.31 0.00 -1.45 0.00 0.00 41.25 38.58 3mof s ASN 327 CO 0.07 -0.73 1.89 -0.81 -3.72 0.00 0.00 177.10 173.81 3mof n PRO 328 N 6.46 0.33 -2.52 0.43 -0.04 -1.26 -4.44 135.00 133.97 3mof n PRO 328 Ca 0.05 0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 3mof n PRO 328 Cb 0.48 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 3mof n PRO 328 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mof s GLU 329 N -2.63 2.67 0.00 0.54 2.02 -1.26 -1.42 118.70 118.62 3mof s GLU 329 Ca 0.23 -0.35 0.05 0.00 0.02 0.00 0.00 54.97 54.93 3mof s GLU 329 Cb 0.18 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 32.10 3mof s GLU 329 CO 0.41 -0.76 0.68 -1.71 0.02 0.00 0.00 175.26 173.91 3mof n ASN 330 N -2.51 1.47 -1.55 -0.19 5.15 -0.45 -4.80 115.26 112.37 3mof n ASN 330 Ca 0.06 -1.25 -0.03 0.00 -0.60 0.00 0.00 54.58 52.76 3mof n ASN 330 Cb 0.59 -0.01 0.01 0.00 -0.53 0.00 0.00 39.78 39.84 3mof n ASN 330 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mof n GLY 331 N 0.26 1.83 3.22 8.20 0.00 -1.18 -1.74 105.19 115.78 3mof n GLY 331 Ca 0.03 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 3mof n GLY 331 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mof s PHE 332 N -6.58 2.59 -0.89 1.61 0.08 0.17 -4.71 117.98 110.25 3mof s PHE 332 Ca 0.05 -1.07 -0.01 0.00 0.12 0.00 0.00 56.93 56.03 3mof s PHE 332 Cb -0.01 -1.73 0.25 0.00 -0.57 0.00 0.00 43.02 40.95 3mof s PHE 332 CO 0.04 -0.44 0.95 0.34 -0.10 0.00 0.00 175.22 176.01 3mof n PHE 333 N 3.60 3.69 -3.71 0.36 7.35 -1.26 -1.52 117.46 125.97 3mof n PHE 333 Ca -0.19 -3.78 -0.33 0.00 -0.76 0.00 0.00 57.45 52.38 3mof n PHE 333 Cb 0.53 -1.05 -0.05 0.00 0.35 0.00 0.00 39.48 39.26 3mof n PHE 333 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3mof s GLY 334 N -1.01 2.25 0.22 7.13 0.00 -0.73 -4.87 107.32 110.31 3mof s GLY 334 Ca 0.31 -0.56 -0.31 0.00 0.00 0.00 0.00 44.72 44.16 3mof s GLY 334 CO -0.05 -0.43 1.49 0.14 0.00 0.00 0.00 173.10 174.25 3mof s VAL 335 N -1.47 2.65 -0.14 1.40 1.01 -1.26 -0.70 120.40 121.89 3mof s VAL 335 Ca 0.34 0.51 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 3mof s VAL 335 Cb -0.13 -3.33 -0.14 0.00 0.00 0.00 0.00 36.38 32.78 3mof s VAL 335 CO 0.21 0.07 0.33 0.00 0.00 0.00 0.00 175.10 175.70 3mof h ALA 336 N 5.69 0.04 -3.08 5.51 0.00 -1.29 -3.43 119.26 122.69 3mof h ALA 336 Ca -0.45 -0.44 -0.56 0.00 0.00 0.00 0.00 54.91 53.47 3mof h ALA 336 Cb 1.21 0.16 0.15 0.00 0.00 0.00 0.00 17.79 19.32 3mof h ALA 336 CO 0.83 0.16 0.55 -2.30 0.00 0.00 0.00 179.25 178.49 3mof n PRO 337 N -4.64 1.35 0.00 0.00 -0.02 -1.26 -1.40 135.00 129.02 3mof n PRO 337 Ca -0.10 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3mof n PRO 337 Cb 0.33 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3mof n PRO 337 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mof n GLY 338 N 0.85 2.93 3.66 -1.23 0.00 -0.02 -5.00 105.19 106.39 3mof n GLY 338 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3mof n GLY 338 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mof s THR 339 N -2.58 4.73 0.24 2.61 2.01 -0.49 -4.77 115.64 117.38 3mof s THR 339 Ca 0.00 1.95 -0.08 0.00 0.31 0.00 0.00 61.69 63.87 3mof s THR 339 Cb 0.00 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 3mof s THR 339 CO 0.00 -0.12 0.35 -0.94 -0.69 0.00 0.00 174.62 173.22 3mof s SER 340 N 1.19 0.05 0.55 3.53 1.04 -1.26 -4.19 113.70 114.62 3mof s SER 340 Ca 0.43 -1.13 0.23 0.00 0.48 0.00 0.00 55.95 55.97 3mof s SER 340 Cb -0.16 0.52 1.55 0.00 0.10 0.00 0.00 66.02 68.02 3mof s SER 340 CO 0.09 -1.04 2.19 0.58 0.98 0.00 0.00 173.24 176.04 3mof h VAL 341 N 2.38 0.75 0.05 5.02 2.07 -1.84 0.11 116.25 124.79 3mof h VAL 341 Ca -0.30 -0.07 -0.26 0.00 0.82 0.00 0.00 66.70 66.90 3mof h VAL 341 Cb 1.25 1.04 0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3mof h VAL 341 CO 0.42 0.02 -1.08 0.11 0.02 0.00 0.00 177.57 177.06 3mof h LYS 342 N 0.00 0.49 0.00 1.57 1.57 -1.94 -3.23 116.57 115.02 3mof h LYS 342 Ca -0.00 -0.59 -0.24 0.00 -1.87 0.00 0.00 60.65 57.95 3mof h LYS 342 Cb 0.04 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3mof h LYS 342 CO 0.00 1.22 -2.12 0.25 -0.57 0.00 0.00 179.45 178.24 3mof n THR 343 N -3.74 1.01 -2.74 -0.16 -2.24 -0.97 -4.73 114.28 100.71 3mof n THR 343 Ca -0.09 -0.74 -0.08 0.00 -2.27 0.00 0.00 64.05 60.87 3mof n THR 343 Cb 0.91 -0.41 0.05 0.00 -2.10 0.00 0.00 70.33 68.79 3mof n THR 343 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3mof n ASN 344 N -2.65 -2.66 0.13 3.42 2.85 0.36 -4.81 115.26 111.88 3mof n ASN 344 Ca -0.21 -3.09 0.07 0.00 -0.11 0.00 0.00 54.58 51.24 3mof n ASN 344 Cb 0.96 1.67 0.55 0.00 1.24 0.00 0.00 39.78 44.20 3mof n ASN 344 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3mof h PRO 345 N 3.86 0.24 -0.12 1.20 0.13 -1.56 -2.09 132.00 133.67 3mof h PRO 345 Ca -0.16 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.85 3mof h PRO 345 Cb 1.06 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3mof h PRO 345 CO 0.25 0.16 -0.39 -0.91 -0.23 0.00 0.00 178.00 176.88 3mof h ASN 346 N 0.25 0.27 -0.47 1.44 2.35 -1.90 -2.18 115.58 115.33 3mof h ASN 346 Ca 0.08 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3mof h ASN 346 Cb 0.03 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3mof h ASN 346 CO -0.02 0.64 0.12 0.00 -1.65 0.00 0.00 177.43 176.52 3mof h ALA 347 N 1.38 0.62 -0.71 -0.83 0.00 -1.70 -2.35 119.26 115.67 3mof h ALA 347 Ca 0.02 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.85 3mof h ALA 347 Cb 0.79 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3mof h ALA 347 CO 0.06 0.30 0.30 0.82 0.00 0.00 0.00 179.25 180.73 3mof h ILE 348 N 0.64 0.72 -0.37 0.00 1.08 -1.17 -1.09 117.51 117.31 3mof h ILE 348 Ca 0.15 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 3mof h ILE 348 Cb 0.31 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 3mof h ILE 348 CO -0.00 0.09 0.17 0.11 -0.69 0.00 0.00 178.15 177.82 3mof h LYS 349 N 0.47 0.55 -0.58 2.37 1.57 -1.26 -3.30 116.57 116.40 3mof h LYS 349 Ca 0.38 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 3mof h LYS 349 Cb 0.51 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3mof h LYS 349 CO -0.35 0.51 0.19 1.15 -0.57 0.00 0.00 179.45 180.38 3mof h THR 350 N 0.46 1.24 -0.17 -0.16 2.02 -0.67 -3.30 112.91 112.33 3mof h THR 350 Ca 0.13 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3mof h THR 350 Cb 0.15 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3mof h THR 350 CO -0.01 0.30 0.00 2.30 0.37 0.00 0.00 175.52 178.47 3mof n ILE 351 N -4.44 0.22 0.79 3.11 -5.35 -0.76 -3.96 119.36 108.97 3mof n ILE 351 Ca 0.03 -0.25 0.11 0.00 -0.27 0.00 0.00 62.75 62.36 3mof n ILE 351 Cb 0.19 0.13 0.29 0.00 -1.74 0.00 0.00 39.64 38.51 3mof n ILE 351 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mof n GLN 352 N 0.02 2.07 -3.82 6.28 6.02 -1.24 -4.67 117.38 122.03 3mof n GLN 352 Ca 0.11 -1.62 -0.12 0.00 -0.01 0.00 0.00 57.00 55.36 3mof n GLN 352 Cb 0.20 -1.43 -0.09 0.00 1.02 0.00 0.00 30.24 29.93 3mof n GLN 352 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3mof s LYS 353 N -1.62 0.58 -1.50 -1.09 -2.85 -1.25 -2.83 119.74 109.17 3mof s LYS 353 Ca 0.34 -0.34 -0.12 0.00 -1.00 0.00 0.00 55.97 54.85 3mof s LYS 353 Cb 0.19 0.25 0.07 0.00 -2.06 0.00 0.00 37.83 36.28 3mof s LYS 353 CO 0.27 -0.15 0.91 0.09 0.10 0.00 0.00 175.35 176.57 3mof n ASN 354 N 1.31 -4.95 -4.12 0.03 3.02 -0.07 -4.84 115.26 105.65 3mof n ASN 354 Ca -0.22 -0.67 -0.24 0.00 -0.03 0.00 0.00 54.58 53.42 3mof n ASN 354 Cb 0.56 -3.96 -0.15 0.00 -0.61 0.00 0.00 39.78 35.61 3mof n ASN 354 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mof s THR 355 N -3.24 1.24 -0.20 3.41 2.01 -1.17 -4.43 115.64 113.26 3mof s THR 355 Ca 0.60 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.89 3mof s THR 355 Cb -0.30 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 3mof s THR 355 CO 0.74 0.36 0.04 -0.63 -0.69 0.00 0.00 174.62 174.44 3mof s ILE 356 N -0.18 4.39 -0.02 1.82 1.01 -0.62 -1.56 121.20 126.05 3mof s ILE 356 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.52 3mof s ILE 356 Cb -0.08 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3mof s ILE 356 CO 0.00 0.42 -0.00 -0.36 0.00 0.00 0.00 174.94 175.00 3mof s PHE 357 N 0.82 3.08 -0.10 3.97 0.08 0.11 -0.34 117.98 125.59 3mof s PHE 357 Ca 0.02 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.18 3mof s PHE 357 Cb -0.14 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.64 3mof s PHE 357 CO 0.02 0.45 -0.14 0.99 -0.10 0.00 0.00 175.22 176.44 3mof s THR 358 N -1.04 1.42 -1.24 0.64 2.01 0.04 -0.44 115.64 117.03 3mof s THR 358 Ca 0.18 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.58 3mof s THR 358 Cb -0.11 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.09 3mof s THR 358 CO 0.09 0.43 0.00 0.59 -0.69 0.00 0.00 174.62 175.03 3mof n ASN 359 N 4.21 -4.32 -5.00 3.53 3.02 -0.50 -1.91 115.26 114.30 3mof n ASN 359 Ca -0.19 0.10 -0.18 0.00 -0.03 0.00 0.00 54.58 54.28 3mof n ASN 359 Cb 0.51 -3.34 0.02 0.00 -0.61 0.00 0.00 39.78 36.36 3mof n ASN 359 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3mof s VAL 360 N -2.61 2.90 0.48 2.41 -7.23 -1.26 -1.32 120.40 113.76 3mof s VAL 360 Ca 0.00 -0.89 -0.08 0.00 -1.81 0.00 0.00 61.98 59.20 3mof s VAL 360 Cb 0.00 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 3mof s VAL 360 CO 0.00 -0.00 0.83 0.00 -0.31 0.00 0.00 175.10 175.61 3mof s ALA 361 N -2.49 3.33 -0.06 1.32 0.00 -0.40 -3.95 121.76 119.51 3mof s ALA 361 Ca 0.56 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.24 3mof s ALA 361 Cb -0.10 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.29 3mof s ALA 361 CO 0.35 -0.30 -0.25 -2.00 0.00 0.00 0.00 175.76 173.56 3mof s GLU 362 N -4.53 2.56 0.53 0.00 2.12 0.17 -1.25 118.70 118.29 3mof s GLU 362 Ca 0.50 -0.90 -0.05 0.00 0.36 0.00 0.00 54.97 54.88 3mof s GLU 362 Cb -0.10 -2.17 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 3mof s GLU 362 CO 0.42 0.39 0.83 0.95 -0.54 0.00 0.00 175.26 177.31 3mof s THR 363 N -0.17 4.34 -0.20 -1.70 -4.23 0.32 -0.93 115.64 113.07 3mof s THR 363 Ca -0.03 0.09 0.28 0.00 -1.18 0.00 0.00 61.69 60.85 3mof s THR 363 Cb -0.14 -3.67 0.31 0.00 1.34 0.00 0.00 72.50 70.34 3mof s THR 363 CO 0.04 -0.67 1.84 0.77 -0.54 0.00 0.00 174.62 176.06 3mof h SER 364 N 0.06 0.00 -0.54 3.99 4.64 -1.14 -1.08 113.55 119.47 3mof h SER 364 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3mof h SER 364 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3mof h SER 364 CO 0.61 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 3mof n ASP 365 N -2.60 4.10 0.00 4.97 3.85 -1.26 -4.92 116.55 120.69 3mof n ASP 365 Ca 0.01 -2.39 0.00 0.00 -0.71 0.00 0.00 54.79 51.70 3mof n ASP 365 Cb 0.24 -0.53 0.00 0.00 -1.35 0.00 0.00 41.12 39.48 3mof n ASP 365 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mof n GLY 366 N 0.98 0.47 2.33 6.12 0.00 -0.41 -3.53 105.19 111.15 3mof n GLY 366 Ca 0.22 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 3mof n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mof n GLY 367 N -2.13 2.06 3.65 -0.02 0.00 -1.25 -1.64 105.19 105.87 3mof n GLY 367 Ca 0.00 -2.19 -0.27 0.00 0.00 0.00 0.00 46.02 43.55 3mof n GLY 367 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mof s VAL 368 N -1.21 3.69 0.03 1.61 -7.23 -1.26 -0.52 120.40 115.51 3mof s VAL 368 Ca 0.34 -1.36 -0.14 0.00 -1.81 0.00 0.00 61.98 59.02 3mof s VAL 368 Cb -0.03 -2.83 0.02 0.00 0.56 0.00 0.00 36.38 34.10 3mof s VAL 368 CO 0.22 -0.05 0.30 -0.47 -0.31 0.00 0.00 175.10 174.78 3mof s TYR 369 N -1.61 -0.12 -0.03 2.82 5.04 -0.38 -4.79 117.35 118.28 3mof s TYR 369 Ca 0.26 0.04 -0.29 0.00 -2.44 0.00 0.00 57.07 54.65 3mof s TYR 369 Cb -0.10 0.09 0.10 0.00 0.35 0.00 0.00 41.96 42.40 3mof s TYR 369 CO 0.18 -0.47 0.86 1.67 -1.34 0.00 0.00 175.55 176.45 3mof s TRP 370 N -2.19 -0.41 0.26 4.97 -2.14 -1.26 -1.27 118.94 116.89 3mof s TRP 370 Ca -0.08 0.46 -0.29 0.00 2.66 0.00 0.00 56.10 58.85 3mof s TRP 370 Cb -0.02 0.50 -0.14 0.00 -3.10 0.00 0.00 33.47 30.71 3mof s TRP 370 CO -0.01 -0.53 1.10 0.39 -2.66 0.00 0.00 176.95 175.23 3mof n GLU 371 N 0.15 1.42 -0.98 3.25 4.71 -1.26 -2.07 120.64 125.86 3mof n GLU 371 Ca -0.11 0.50 0.00 0.00 -0.01 0.00 0.00 57.16 57.54 3mof n GLU 371 Cb 0.60 -1.94 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 3mof n GLU 371 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3mof n GLY 372 N 1.48 0.43 0.21 0.62 0.00 -1.26 -0.84 105.19 105.83 3mof n GLY 372 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 3mof n GLY 372 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3mof h ILE 373 N 0.00 0.98 -5.95 -0.61 2.10 -1.58 -3.38 117.51 109.07 3mof h ILE 373 Ca 0.00 -1.09 -0.41 0.00 1.08 0.00 0.00 64.86 64.44 3mof h ILE 373 Cb 0.22 1.63 0.10 0.00 -1.09 0.00 0.00 36.82 37.67 3mof h ILE 373 CO 0.00 0.29 -0.72 -0.67 -1.08 0.00 0.00 178.15 175.97 3mof n ASP 374 N -3.86 -5.23 -3.71 2.19 2.03 -1.26 -4.48 116.55 102.23 3mof n ASP 374 Ca -0.02 -0.62 -0.11 0.00 0.52 0.00 0.00 54.79 54.56 3mof n ASP 374 Cb 0.37 -4.72 -0.11 0.00 -0.72 0.00 0.00 41.12 35.94 3mof n ASP 374 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3mof s GLU 375 N -6.26 0.36 0.58 -0.67 -1.05 -1.26 -4.90 118.70 105.50 3mof s GLU 375 Ca 0.51 0.69 -0.18 0.00 -0.15 0.00 0.00 54.97 55.84 3mof s GLU 375 Cb -0.23 -0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.41 3mof s GLU 375 CO 0.76 -0.14 1.12 -1.25 0.95 0.00 0.00 175.26 176.70 3mof s PRO 376 N 1.18 3.19 0.15 -4.83 0.04 -1.26 -5.06 135.00 128.41 3mof s PRO 376 Ca -0.08 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.47 3mof s PRO 376 Cb -0.08 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3mof s PRO 376 CO -0.10 -0.96 0.37 -0.51 0.04 0.00 0.00 177.00 175.84 3mof s LEU 377 N -4.10 4.26 0.58 -3.56 1.43 -1.26 -5.09 118.68 110.95 3mof s LEU 377 Ca 0.71 0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 54.16 3mof s LEU 377 Cb -0.23 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 3mof s LEU 377 CO 0.31 0.04 1.22 0.00 0.23 0.00 0.00 176.35 178.15 3mof s ALA 378 N -1.69 2.58 0.33 4.21 0.00 -1.26 -4.93 121.76 121.00 3mof s ALA 378 Ca 0.40 1.03 -0.27 0.00 0.00 0.00 0.00 51.96 53.12 3mof s ALA 378 Cb -0.12 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.41 3mof s ALA 378 CO 0.26 -1.15 1.02 -2.30 0.00 0.00 0.00 175.76 173.59 3mof n PRO 379 N -1.50 1.42 0.00 0.00 -0.02 -1.26 -1.94 135.00 131.70 3mof n PRO 379 Ca 0.13 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3mof n PRO 379 Cb 0.49 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3mof n PRO 379 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mof n GLY 380 N 1.18 2.86 3.69 -1.23 0.00 -1.26 -5.03 105.19 105.41 3mof n GLY 380 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3mof n GLY 380 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mof s VAL 381 N -2.16 3.55 0.45 1.61 1.01 -0.82 -5.02 120.40 119.02 3mof s VAL 381 Ca 0.00 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.03 3mof s VAL 381 Cb 0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3mof s VAL 381 CO 0.00 0.01 0.20 0.42 0.00 0.00 0.00 175.10 175.73 3mof s THR 382 N 2.17 2.03 -0.07 3.92 -4.23 -1.26 -4.90 115.64 113.30 3mof s THR 382 Ca 0.65 -1.70 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 3mof s THR 382 Cb -0.33 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 70.79 3mof s THR 382 CO 0.28 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.59 3mof s ILE 383 N -2.67 1.27 -0.24 2.99 1.01 -1.26 -0.53 121.20 121.76 3mof s ILE 383 Ca 0.35 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 3mof s ILE 383 Cb 0.02 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3mof s ILE 383 CO 0.20 0.38 0.09 -0.89 0.00 0.00 0.00 174.94 174.72 3mof s THR 384 N 0.54 4.58 0.94 2.92 2.01 -0.11 -0.95 115.64 125.57 3mof s THR 384 Ca -0.14 -0.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 3mof s THR 384 Cb -0.15 -3.13 0.15 0.00 0.01 0.00 0.00 72.50 69.37 3mof s THR 384 CO 0.04 0.35 1.09 -0.94 -0.69 0.00 0.00 174.62 174.47 3mof s SER 385 N 1.40 3.14 0.12 3.53 1.04 0.86 -0.65 113.70 123.12 3mof s SER 385 Ca 0.06 1.34 0.08 0.00 0.48 0.00 0.00 55.95 57.91 3mof s SER 385 Cb -0.15 -2.02 0.44 0.00 0.10 0.00 0.00 66.02 64.39 3mof s SER 385 CO 0.05 -2.83 1.25 -2.67 0.98 0.00 0.00 173.24 170.02 3mof n TRP 386 N -3.99 0.27 -0.11 5.02 4.27 0.74 -1.31 117.44 122.33 3mof n TRP 386 Ca 0.06 0.14 0.09 0.00 -3.89 0.00 0.00 57.50 53.90 3mof n TRP 386 Cb 0.56 -0.72 0.29 0.00 -1.36 0.00 0.00 31.31 30.08 3mof n TRP 386 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 3mof n LYS 387 N -1.77 2.91 -3.42 -2.67 5.02 -1.26 -4.71 118.16 112.25 3mof n LYS 387 Ca -0.00 -2.30 -0.19 0.00 -2.02 0.00 0.00 58.31 53.80 3mof n LYS 387 Cb 0.02 -1.66 0.08 0.00 -0.02 0.00 0.00 35.03 33.45 3mof n LYS 387 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3mof n ASN 388 N 1.06 -4.39 -4.05 4.39 5.15 -0.42 -5.04 115.26 111.97 3mof n ASN 388 Ca 0.21 -0.52 -0.12 0.00 -0.60 0.00 0.00 54.58 53.55 3mof n ASN 388 Cb 0.66 -4.68 -0.11 0.00 -0.53 0.00 0.00 39.78 35.12 3mof n ASN 388 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3mof s LYS 389 N -5.81 0.49 0.49 1.20 1.02 -1.25 -4.93 119.74 110.94 3mof s LYS 389 Ca 0.32 -0.76 -0.24 0.00 0.02 0.00 0.00 55.97 55.31 3mof s LYS 389 Cb -0.14 -0.18 -0.07 0.00 -0.52 0.00 0.00 37.83 36.93 3mof s LYS 389 CO 0.67 0.02 1.36 -1.21 -0.92 0.00 0.00 175.35 175.27 3mof s GLU 390 N -1.70 3.50 -0.03 1.68 0.41 -1.26 -0.10 118.70 121.19 3mof s GLU 390 Ca -0.10 2.26 -0.04 0.00 -0.41 0.00 0.00 54.97 56.68 3mof s GLU 390 Cb -0.09 -2.48 0.01 0.00 -1.78 0.00 0.00 34.13 29.79 3mof s GLU 390 CO -0.00 -0.91 0.11 -0.46 -0.49 0.00 0.00 175.26 173.50 3mof s TRP 391 N -1.28 -0.08 0.07 1.61 -0.00 -0.12 -4.76 118.94 114.38 3mof s TRP 391 Ca 0.65 0.20 0.08 0.00 -0.00 0.00 0.00 56.10 57.03 3mof s TRP 391 Cb -0.40 0.02 -0.03 0.00 -0.00 0.00 0.00 33.47 33.05 3mof s TRP 391 CO 0.50 -0.09 -0.22 1.03 -0.00 0.00 0.00 176.95 178.16 3mof s ARG 392 N -0.20 1.36 0.12 5.86 0.52 -1.26 -4.25 118.95 121.11 3mof s ARG 392 Ca -0.03 -1.09 0.05 0.00 -0.52 0.00 0.00 55.73 54.15 3mof s ARG 392 Cb -0.02 -1.59 0.30 0.00 0.52 0.00 0.00 34.95 34.16 3mof s ARG 392 CO 0.00 0.39 1.03 -2.30 0.02 0.00 0.00 175.30 174.44 3mof n PRO 393 N 1.47 0.04 -2.59 3.54 -0.02 -1.26 -1.91 135.00 134.27 3mof n PRO 393 Ca -0.18 0.42 -0.18 0.00 -2.02 0.00 0.00 63.50 61.54 3mof n PRO 393 Cb 0.53 -1.83 0.01 0.00 -0.02 0.00 0.00 33.50 32.20 3mof n PRO 393 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3mof n GLN 394 N -1.62 2.31 -3.27 -0.52 3.00 -1.26 -5.04 117.38 110.99 3mof n GLN 394 Ca -0.00 -3.91 -0.24 0.00 -0.01 0.00 0.00 57.00 52.84 3mof n GLN 394 Cb 0.21 -1.77 -0.01 0.00 0.00 0.00 0.00 30.24 28.68 3mof n GLN 394 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3mof s ASP 395 N -3.32 6.17 0.34 1.08 1.01 -0.80 -5.03 116.67 116.13 3mof s ASP 395 Ca 0.38 0.40 0.06 0.00 0.71 0.00 0.00 52.55 54.11 3mof s ASP 395 Cb 0.42 -1.89 0.62 0.00 1.01 0.00 0.00 42.92 43.08 3mof s ASP 395 CO -0.08 -0.40 1.84 -0.08 0.21 0.00 0.00 175.17 176.66 3mof h GLU 396 N 0.66 0.36 -6.04 8.23 4.81 -1.96 -3.45 114.58 117.18 3mof h GLU 396 Ca -0.49 -0.10 -0.57 0.00 -0.13 0.00 0.00 59.36 58.07 3mof h GLU 396 Cb 1.23 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 3mof h GLU 396 CO 0.60 0.52 -0.44 -1.83 -0.73 0.00 0.00 179.01 177.13 3mof s GLU 397 N -4.67 3.47 0.67 1.92 -1.05 -1.26 -5.08 118.70 112.70 3mof s GLU 397 Ca -0.06 -0.46 -0.16 0.00 -0.15 0.00 0.00 54.97 54.13 3mof s GLU 397 Cb 0.15 -2.96 0.01 0.00 -0.44 0.00 0.00 34.13 30.89 3mof s GLU 397 CO 0.76 0.52 1.19 -1.25 0.95 0.00 0.00 175.26 177.43 3mof s PRO 398 N -2.97 2.54 0.23 -4.83 0.04 -1.26 -4.95 135.00 123.79 3mof s PRO 398 Ca 0.36 1.73 0.14 0.00 0.04 0.00 0.00 61.00 63.27 3mof s PRO 398 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3mof s PRO 398 CO 0.28 -1.52 1.34 0.00 0.04 0.00 0.00 177.00 177.14 3mof s ALA 400 N -2.92 2.45 0.43 0.00 0.00 -1.26 -0.18 121.76 120.27 3mof s ALA 400 Ca 0.03 -1.37 -0.26 0.00 0.00 0.00 0.00 51.96 50.35 3mof s ALA 400 Cb 0.08 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 3mof s ALA 400 CO 0.76 0.55 1.44 1.58 0.00 0.00 0.00 175.76 180.09 3mof n HIS 401 N 1.13 2.74 0.17 0.00 -0.00 -0.44 -4.87 115.22 113.95 3mof n HIS 401 Ca -0.17 0.45 0.11 0.00 0.46 0.00 0.00 57.72 58.57 3mof n HIS 401 Cb 0.53 -2.47 0.64 0.00 -0.12 0.00 0.00 29.99 28.56 3mof n HIS 401 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3mof h PRO 402 N 2.46 0.04 -0.45 1.57 0.11 -1.98 -1.58 132.00 132.18 3mof h PRO 402 Ca -0.50 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3mof h PRO 402 Cb 1.26 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3mof h PRO 402 CO 0.62 0.02 0.07 -1.71 -0.21 0.00 0.00 178.00 176.79 3mof n ASN 403 N -4.49 4.11 -4.73 -2.05 5.15 -1.26 -4.68 115.26 107.30 3mof n ASN 403 Ca 0.01 -3.20 -0.35 0.00 -0.60 0.00 0.00 54.58 50.44 3mof n ASN 403 Cb 0.23 -0.63 0.08 0.00 -0.53 0.00 0.00 39.78 38.92 3mof n ASN 403 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3mof s SER 404 N -1.67 4.44 0.06 1.20 1.04 -0.60 -4.89 113.70 113.29 3mof s SER 404 Ca 0.48 2.37 0.01 0.00 0.48 0.00 0.00 55.95 59.29 3mof s SER 404 Cb 0.39 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 3mof s SER 404 CO 0.09 -2.10 -0.06 -0.13 0.98 0.00 0.00 173.24 172.02 3mof s ARG 405 N -3.78 0.60 0.17 4.02 1.81 -0.80 -0.82 118.95 120.14 3mof s ARG 405 Ca 0.75 -0.95 0.05 0.00 -1.72 0.00 0.00 55.73 53.86 3mof s ARG 405 Cb -0.30 -0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.00 3mof s ARG 405 CO 0.43 0.00 0.15 -0.59 -0.68 0.00 0.00 175.30 174.61 3mof s PHE 406 N -2.28 3.17 -0.25 -0.53 -0.12 0.12 -0.78 117.98 117.30 3mof s PHE 406 Ca -0.03 -0.02 -0.02 0.00 -0.05 0.00 0.00 56.93 56.81 3mof s PHE 406 Cb -0.04 -1.51 0.08 0.00 -0.63 0.00 0.00 43.02 40.92 3mof s PHE 406 CO -0.02 0.52 0.07 0.00 -0.05 0.00 0.00 175.22 175.73 3mof s THR 408 N 1.79 0.63 0.16 0.00 -1.32 -0.57 -1.58 115.64 114.74 3mof s THR 408 Ca 0.04 -0.78 -0.31 0.00 -1.21 0.00 0.00 61.69 59.43 3mof s THR 408 Cb -0.17 -0.62 -0.09 0.00 -1.51 0.00 0.00 72.50 70.11 3mof s THR 408 CO -0.18 -0.13 1.49 -2.84 -2.21 0.00 0.00 174.62 170.76 3mof s PRO 409 N -1.00 4.26 0.48 7.08 0.02 -1.26 -0.66 135.00 143.92 3mof s PRO 409 Ca -0.03 2.26 0.14 0.00 0.02 0.00 0.00 61.00 63.39 3mof s PRO 409 Cb -0.07 -3.18 1.13 0.00 0.02 0.00 0.00 34.50 32.40 3mof s PRO 409 CO 0.00 -0.53 2.08 0.00 -0.33 0.00 0.00 177.00 178.23 3mof h ALA 410 N 6.58 1.86 0.00 -1.55 0.00 -1.62 -3.02 119.26 121.51 3mof h ALA 410 Ca -0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3mof h ALA 410 Cb 1.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3mof h ALA 410 CO 0.88 0.11 -0.04 0.66 0.00 0.00 0.00 179.25 180.86 3mof h SER 411 N 0.07 0.00 0.53 0.00 4.64 -1.91 -1.90 113.55 114.99 3mof h SER 411 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3mof h SER 411 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3mof h SER 411 CO 0.00 0.04 -0.16 0.00 -0.87 0.00 0.00 176.83 175.85 3mof n GLN 412 N -3.48 0.40 -2.19 4.77 6.02 -1.14 -4.88 117.38 116.89 3mof n GLN 412 Ca -0.02 -0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.41 3mof n GLN 412 Cb 0.16 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 3mof n GLN 412 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mof h PRO 414 N 7.86 0.00 -0.12 0.00 0.13 -1.90 -1.81 132.00 136.17 3mof h PRO 414 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 3mof h PRO 414 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3mof h PRO 414 CO 0.90 0.00 -0.04 0.44 -0.23 0.00 0.00 178.00 179.07 3mof n ILE 415 N -2.68 2.11 -1.74 -3.56 -5.35 -1.26 -5.04 119.36 101.84 3mof n ILE 415 Ca -0.01 -2.24 -0.42 0.00 -0.27 0.00 0.00 62.75 59.81 3mof n ILE 415 Cb 0.14 -0.25 -0.01 0.00 -1.74 0.00 0.00 39.64 37.78 3mof n ILE 415 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mof n ILE 416 N -1.06 1.36 -2.51 7.28 0.13 -0.68 -1.07 119.36 122.80 3mof n ILE 416 Ca 0.20 -0.34 -0.38 0.00 -1.10 0.00 0.00 62.75 61.12 3mof n ILE 416 Cb 0.77 -1.87 -0.04 0.00 -0.84 0.00 0.00 39.64 37.65 3mof n ILE 416 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3mof s ASP 417 N 0.24 6.97 0.62 9.51 2.15 0.45 -4.73 116.67 131.88 3mof s ASP 417 Ca 0.61 2.14 0.40 0.00 0.43 0.00 0.00 52.55 56.13 3mof s ASP 417 Cb -0.52 -2.60 2.06 0.00 -0.30 0.00 0.00 42.92 41.56 3mof s ASP 417 CO 0.54 -0.35 2.25 1.55 -0.17 0.00 0.00 175.17 178.99 3mof h PRO 418 N 3.06 0.00 -0.54 4.34 0.13 -1.90 -1.64 132.00 135.45 3mof h PRO 418 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3mof h PRO 418 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3mof h PRO 418 CO 0.64 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 3mof n ALA 419 N -2.11 2.41 0.32 -0.56 0.00 -1.26 -4.66 120.51 114.65 3mof n ALA 419 Ca -0.02 -1.09 0.20 0.00 0.00 0.00 0.00 53.44 52.53 3mof n ALA 419 Cb 0.14 -0.92 1.07 0.00 0.00 0.00 0.00 19.45 19.75 3mof n ALA 419 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3mof h TRP 420 N 4.24 0.00 -0.08 0.00 5.08 -1.63 -0.20 115.95 123.36 3mof h TRP 420 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3mof h TRP 420 Cb 0.95 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.11 3mof h TRP 420 CO 0.35 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 177.90 3mof n GLU 421 N -2.95 1.33 -1.70 0.12 1.02 -1.26 -4.59 120.64 112.61 3mof n GLU 421 Ca -0.03 -1.28 -0.42 0.00 -0.02 0.00 0.00 57.16 55.41 3mof n GLU 421 Cb 0.14 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 3mof n GLU 421 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3mof n SER 422 N 0.13 4.01 0.25 1.62 7.64 -0.09 -4.77 113.62 122.41 3mof n SER 422 Ca 0.04 1.02 0.11 0.00 1.01 0.00 0.00 58.87 61.05 3mof n SER 422 Cb 0.23 -1.56 0.67 0.00 -1.01 0.00 0.00 64.21 62.54 3mof n SER 422 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3mof h PRO 423 N 7.75 0.00 0.00 1.43 0.13 -1.95 -2.52 132.00 136.84 3mof h PRO 423 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3mof h PRO 423 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3mof h PRO 423 CO 0.95 0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 178.02 3mof n GLU 424 N -3.74 0.18 0.00 0.86 0.00 -1.26 -4.16 120.64 112.52 3mof n GLU 424 Ca -0.02 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.37 3mof n GLU 424 Cb 0.25 -1.74 0.00 0.00 0.00 0.00 0.00 31.44 29.95 3mof n GLU 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mof n GLY 425 N 0.90 -1.11 3.70 -1.84 0.00 -0.95 -4.66 105.19 101.23 3mof n GLY 425 Ca 0.05 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 3mof n GLY 425 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mof s VAL 426 N -2.08 4.23 -0.27 1.61 -7.23 0.67 -4.69 120.40 112.65 3mof s VAL 426 Ca 0.00 -0.64 -0.27 0.00 -1.81 0.00 0.00 61.98 59.27 3mof s VAL 426 Cb 0.00 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 34.02 3mof s VAL 426 CO 0.00 0.32 0.94 -2.16 -0.31 0.00 0.00 175.10 173.89 3mof s PRO 427 N -1.73 4.13 -0.10 4.82 0.04 -1.26 -0.72 135.00 140.18 3mof s PRO 427 Ca 0.21 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.06 3mof s PRO 427 Cb -0.12 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 3mof s PRO 427 CO 0.12 -0.67 0.61 0.42 0.04 0.00 0.00 177.00 177.52 3mof s ILE 428 N 3.16 5.10 -0.36 0.56 -1.09 0.75 -3.85 121.20 125.46 3mof s ILE 428 Ca 0.39 1.24 0.08 0.00 -2.23 0.00 0.00 60.65 60.13 3mof s ILE 428 Cb -0.14 -3.95 -0.09 0.00 -1.58 0.00 0.00 42.46 36.70 3mof s ILE 428 CO 0.10 0.26 0.33 -0.62 -1.23 0.00 0.00 174.94 173.78 3mof n GLU 429 N 3.87 4.33 -3.70 2.79 1.02 -0.38 -4.49 120.64 124.09 3mof n GLU 429 Ca -0.03 -0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.96 3mof n GLU 429 Cb 0.51 -0.88 -0.08 0.00 -0.02 0.00 0.00 31.44 30.97 3mof n GLU 429 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3mof s GLY 430 N -1.76 -0.29 -0.06 0.62 0.00 -1.24 -2.23 107.32 102.35 3mof s GLY 430 Ca 0.03 0.76 0.05 0.00 0.00 0.00 0.00 44.72 45.56 3mof s GLY 430 CO 0.32 0.52 -0.21 -0.42 0.00 0.00 0.00 173.10 173.31 3mof s ILE 431 N -0.94 1.78 -0.09 0.90 1.01 0.03 -1.59 121.20 122.29 3mof s ILE 431 Ca -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3mof s ILE 431 Cb -0.04 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 3mof s ILE 431 CO 0.05 0.50 -0.16 -0.63 0.00 0.00 0.00 174.94 174.70 3mof s ILE 432 N 0.05 2.88 0.27 2.92 1.01 0.11 -1.09 121.20 127.34 3mof s ILE 432 Ca -0.07 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 59.92 3mof s ILE 432 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3mof s ILE 432 CO 0.04 0.56 -0.02 -0.36 0.00 0.00 0.00 174.94 175.15 3mof s PHE 433 N -0.11 2.65 0.00 3.97 0.08 0.38 -0.38 117.98 124.57 3mof s PHE 433 Ca -0.02 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.79 3mof s PHE 433 Cb -0.14 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 3mof s PHE 433 CO 0.04 0.63 0.00 0.41 -0.10 0.00 0.00 175.22 176.19 3mof n GLY 434 N -0.87 1.32 0.00 4.36 0.00 -1.13 -0.25 105.19 108.62 3mof n GLY 434 Ca -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3mof n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mof n GLY 435 N -0.29 2.88 3.45 -0.02 0.00 -1.25 -4.00 105.19 105.96 3mof n GLY 435 Ca 0.00 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 3mof n GLY 435 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mof s ARG 436 N 1.61 3.10 -0.26 1.61 0.52 -1.26 -4.43 118.95 119.84 3mof s ARG 436 Ca 0.00 -0.91 0.01 0.00 -0.52 0.00 0.00 55.73 54.31 3mof s ARG 436 Cb 0.00 -4.07 0.07 0.00 0.52 0.00 0.00 34.95 31.48 3mof s ARG 436 CO 0.00 -1.09 -0.01 1.03 0.02 0.00 0.00 175.30 175.25 3mof s ARG 437 N 2.36 1.43 0.43 3.54 1.81 -1.26 -0.19 118.95 127.07 3mof s ARG 437 Ca 0.13 -1.13 0.29 0.00 -1.72 0.00 0.00 55.73 53.31 3mof s ARG 437 Cb -0.19 -2.58 1.16 0.00 -0.45 0.00 0.00 34.95 32.89 3mof s ARG 437 CO 0.12 -0.71 1.86 -1.00 -0.68 0.00 0.00 175.30 174.89 3mof h PRO 438 N 7.93 0.00 -4.77 3.54 0.13 -1.95 -3.16 132.00 133.72 3mof h PRO 438 Ca -0.15 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.66 3mof h PRO 438 Cb 1.06 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.97 3mof h PRO 438 CO 0.44 0.00 -0.75 0.00 -0.23 0.00 0.00 178.00 177.46 3mof s ALA 439 N -3.50 0.73 0.00 -0.56 0.00 -1.26 -0.64 121.76 116.53 3mof s ALA 439 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3mof s ALA 439 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3mof s ALA 439 CO 0.50 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.71 3mof n GLY 440 N 1.54 2.42 3.66 0.00 0.00 -1.26 -4.95 105.19 106.60 3mof n GLY 440 Ca -0.22 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 3mof n GLY 440 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mof s VAL 441 N -0.62 5.25 0.73 1.61 1.01 -1.26 -4.72 120.40 122.41 3mof s VAL 441 Ca 0.00 0.51 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 3mof s VAL 441 Cb 0.00 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.77 3mof s VAL 441 CO 0.00 0.28 1.20 -2.84 0.00 0.00 0.00 175.10 173.73 3mof s PRO 442 N 1.27 2.14 0.27 2.72 0.02 -1.26 -4.83 135.00 135.34 3mof s PRO 442 Ca 0.15 1.72 -0.01 0.00 0.02 0.00 0.00 61.00 62.88 3mof s PRO 442 Cb -0.14 -1.84 0.60 0.00 0.02 0.00 0.00 34.50 33.14 3mof s PRO 442 CO 0.07 -1.82 1.66 1.25 -0.33 0.00 0.00 177.00 177.82 3mof h LEU 443 N -0.34 -0.02 -7.09 -5.54 5.85 -1.70 -3.30 115.31 103.16 3mof h LEU 443 Ca -0.47 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 3mof h LEU 443 Cb 1.29 0.25 -0.21 0.00 0.37 0.00 0.00 40.66 42.36 3mof h LEU 443 CO 0.50 -0.11 0.04 0.54 -0.34 0.00 0.00 178.44 179.07 3mof s VAL 444 N -5.99 0.00 0.18 1.05 0.11 -1.26 -1.14 120.40 113.35 3mof s VAL 444 Ca -0.12 -0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 3mof s VAL 444 Cb 0.24 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 3mof s VAL 444 CO 0.77 -0.01 0.16 -0.72 -3.33 0.00 0.00 175.10 171.96 3mof s TYR 445 N 0.08 0.89 -0.02 1.54 1.13 -0.41 -4.55 117.35 116.01 3mof s TYR 445 Ca -0.02 -1.19 0.07 0.00 -1.41 0.00 0.00 57.07 54.52 3mof s TYR 445 Cb -0.04 -0.40 -0.02 0.00 -1.10 0.00 0.00 41.96 40.40 3mof s TYR 445 CO 0.02 -0.64 -0.24 -2.00 -2.51 0.00 0.00 175.55 170.18 3mof s GLU 446 N -4.09 2.17 0.66 -3.49 2.12 0.14 -1.15 118.70 115.07 3mof s GLU 446 Ca 0.30 -0.89 -0.16 0.00 0.36 0.00 0.00 54.97 54.58 3mof s GLU 446 Cb 0.06 -2.10 -0.00 0.00 0.26 0.00 0.00 34.13 32.35 3mof s GLU 446 CO 0.07 0.57 1.14 0.00 -0.54 0.00 0.00 175.26 176.50 3mof s ALA 447 N -0.63 2.42 -0.52 6.30 0.00 -0.11 -0.78 121.76 128.44 3mof s ALA 447 Ca 0.10 0.69 0.24 0.00 0.00 0.00 0.00 51.96 52.99 3mof s ALA 447 Cb -0.10 -3.37 0.36 0.00 0.00 0.00 0.00 23.12 20.01 3mof s ALA 447 CO -0.01 -1.34 1.42 -0.07 0.00 0.00 0.00 175.76 175.76 3mof h LEU 448 N 0.17 0.00 -7.77 0.00 3.38 -1.90 -3.45 115.31 105.74 3mof h LEU 448 Ca -0.48 -0.07 0.23 0.00 0.09 0.00 0.00 57.88 57.65 3mof h LEU 448 Cb 1.26 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 3mof h LEU 448 CO 0.53 0.03 0.67 -0.94 0.09 0.00 0.00 178.44 178.83 3mof s SER 449 N -5.03 -0.04 0.12 -0.43 1.04 -1.26 -4.98 113.70 103.12 3mof s SER 449 Ca 0.06 -0.44 -0.19 0.00 0.48 0.00 0.00 55.95 55.86 3mof s SER 449 Cb 0.10 0.37 -0.06 0.00 0.10 0.00 0.00 66.02 66.54 3mof s SER 449 CO 0.70 -0.72 1.76 -0.25 0.98 0.00 0.00 173.24 175.71 3mof h TRP 450 N 2.00 0.31 -0.64 5.02 2.91 -1.94 -1.08 115.95 122.53 3mof h TRP 450 Ca -0.26 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.68 3mof h TRP 450 Cb 1.21 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.73 3mof h TRP 450 CO 1.00 0.22 0.08 1.96 -1.03 0.00 0.00 178.44 180.66 3mof h GLN 451 N 0.31 1.08 -0.88 2.65 4.20 -1.96 -0.09 115.11 120.42 3mof h GLN 451 Ca 0.09 -0.30 0.03 0.00 0.06 0.00 0.00 58.65 58.53 3mof h GLN 451 Cb -0.01 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.60 3mof h GLN 451 CO -0.02 1.01 0.57 1.25 -0.67 0.00 0.00 178.83 180.97 3mof h HIS 452 N 0.99 1.07 -0.37 2.96 2.76 -1.91 -1.52 115.15 119.13 3mof h HIS 452 Ca 0.19 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.28 3mof h HIS 452 Cb 0.47 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3mof h HIS 452 CO 0.03 0.62 -0.20 0.78 -1.30 0.00 0.00 177.93 177.86 3mof h GLY 453 N 1.11 0.78 1.10 5.26 0.00 -0.18 0.16 103.07 111.31 3mof h GLY 453 Ca 0.35 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 3mof h GLY 453 CO -0.11 0.59 0.19 -2.08 0.00 0.00 0.00 176.54 175.13 3mof h VAL 454 N 0.63 1.26 -0.73 4.60 2.07 -0.79 -1.63 116.25 121.67 3mof h VAL 454 Ca 0.09 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3mof h VAL 454 Cb 0.69 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3mof h VAL 454 CO 0.05 0.36 0.33 0.15 0.02 0.00 0.00 177.57 178.49 3mof h PHE 455 N 1.07 1.05 -0.64 1.57 3.57 -0.48 -1.27 116.94 121.81 3mof h PHE 455 Ca 0.23 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3mof h PHE 455 Cb 0.34 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3mof h PHE 455 CO 0.03 0.77 0.23 0.28 -2.23 0.00 0.00 178.31 177.39 3mof h VAL 456 N 1.04 1.24 -0.28 1.41 2.07 -0.20 0.13 116.25 121.66 3mof h VAL 456 Ca 0.25 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 67.00 3mof h VAL 456 Cb 0.13 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3mof h VAL 456 CO -0.03 0.31 0.12 1.23 0.02 0.00 0.00 177.57 179.22 3mof h GLY 457 N 0.91 0.36 1.52 2.17 0.00 -0.96 -2.72 103.07 104.34 3mof h GLY 457 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3mof h GLY 457 CO -0.01 0.06 0.26 0.00 0.00 0.00 0.00 176.54 176.84 3mof h ALA 458 N 1.16 1.57 -0.01 3.60 0.00 -0.36 -1.20 119.26 124.02 3mof h ALA 458 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mof h ALA 458 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3mof h ALA 458 CO -0.10 0.36 -0.06 0.00 0.00 0.00 0.00 179.25 179.45 3mof n ALA 459 N -2.46 2.71 -1.59 0.00 0.00 0.38 -4.44 120.51 115.10 3mof n ALA 459 Ca 0.04 -0.29 -0.49 0.00 0.00 0.00 0.00 53.44 52.70 3mof n ALA 459 Cb 0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 3mof n ALA 459 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3mof n MET 460 N -0.73 1.26 -4.12 0.00 2.81 -0.99 -4.91 117.12 110.44 3mof n MET 460 Ca 0.18 0.45 -0.12 0.00 -1.81 0.00 0.00 57.70 56.40 3mof n MET 460 Cb 0.26 -2.01 -0.11 0.00 -0.71 0.00 0.00 33.22 30.65 3mof n MET 460 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3mof s ARG 461 N -0.09 0.69 -0.18 0.03 0.52 -1.26 -1.13 118.95 117.52 3mof s ARG 461 Ca 0.76 -1.05 -0.17 0.00 -0.52 0.00 0.00 55.73 54.75 3mof s ARG 461 Cb -0.86 -0.28 0.05 0.00 0.52 0.00 0.00 34.95 34.38 3mof s ARG 461 CO 0.50 0.02 0.49 0.45 0.02 0.00 0.00 175.30 176.78 3mof s SER 462 N -2.30 -0.52 0.16 0.23 0.15 0.21 -4.34 113.70 107.29 3mof s SER 462 Ca 0.01 0.99 -0.31 0.00 0.70 0.00 0.00 55.95 57.34 3mof s SER 462 Cb -0.03 1.00 -0.10 0.00 -1.71 0.00 0.00 66.02 65.19 3mof s SER 462 CO -0.02 -0.17 1.52 -0.70 1.20 0.00 0.00 173.24 175.07 3mof s GLU 463 N 0.31 4.24 0.00 5.44 2.12 0.74 -1.21 118.70 130.34 3mof s GLU 463 Ca -0.00 2.30 -0.24 0.00 0.36 0.00 0.00 54.97 57.38 3mof s GLU 463 Cb -0.04 -3.17 -0.14 0.00 0.26 0.00 0.00 34.13 31.05 3mof s GLU 463 CO 0.00 -0.56 1.01 0.00 -0.54 0.00 0.00 175.26 175.18 3mof h ALA 464 N 6.66 -0.80 -2.06 6.30 0.00 -1.94 -3.45 119.26 123.97 3mof h ALA 464 Ca -0.43 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.47 3mof h ALA 464 Cb 1.21 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 19.17 3mof h ALA 464 CO 0.89 -0.76 0.58 0.15 0.00 0.00 0.00 179.25 180.12 3mof s LYS 473 N -4.36 0.77 -0.01 0.00 -0.14 -1.26 -5.06 119.74 109.68 3mof s LYS 473 Ca -0.13 -0.34 0.06 0.00 -1.36 0.00 0.00 55.97 54.20 3mof s LYS 473 Cb 0.01 0.32 -0.02 0.00 -1.68 0.00 0.00 37.83 36.46 3mof s LYS 473 CO 0.40 -0.34 -0.19 0.08 -0.76 0.00 0.00 175.35 174.54 3mof s VAL 474 N -2.96 1.47 -0.49 3.17 1.01 -1.26 -5.10 120.40 116.25 3mof s VAL 474 Ca 0.08 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 3mof s VAL 474 Cb -0.00 -1.23 0.07 0.00 0.00 0.00 0.00 36.38 35.21 3mof s VAL 474 CO -0.05 0.38 0.47 -0.63 0.00 0.00 0.00 175.10 175.27 3mof s ILE 475 N -0.49 5.13 0.34 2.22 -1.09 -1.26 -4.26 121.20 121.79 3mof s ILE 475 Ca 0.07 -0.93 -0.05 0.00 -2.23 0.00 0.00 60.65 57.51 3mof s ILE 475 Cb -0.07 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 3mof s ILE 475 CO -0.00 -0.67 0.61 -0.04 -1.23 0.00 0.00 174.94 173.60 3mof s MET 476 N 1.93 3.62 -0.01 2.79 -1.94 -0.35 -4.85 119.30 120.48 3mof s MET 476 Ca 0.07 0.03 -0.24 0.00 -1.71 0.00 0.00 55.69 53.84 3mof s MET 476 Cb -0.23 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 33.98 3mof s MET 476 CO 0.08 0.12 0.74 -1.01 -0.01 0.00 0.00 175.02 174.94 3mof s HIS 477 N -2.24 3.65 -0.42 -0.03 3.76 -1.26 -0.62 115.29 118.14 3mof s HIS 477 Ca 0.45 1.36 0.06 0.00 -0.15 0.00 0.00 55.06 56.78 3mof s HIS 477 Cb -0.10 -2.82 0.21 0.00 1.11 0.00 0.00 32.58 30.98 3mof s HIS 477 CO 0.33 0.17 0.50 -3.47 -0.85 0.00 0.00 174.74 171.42 3mof n ASP 478 N 3.33 -0.67 -4.74 1.40 -0.08 -0.29 -4.92 116.55 110.60 3mof n ASP 478 Ca -0.02 -2.64 -0.42 0.00 -1.51 0.00 0.00 54.79 50.21 3mof n ASP 478 Cb 0.51 -0.19 -0.02 0.00 2.34 0.00 0.00 41.12 43.76 3mof n ASP 478 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3mof s PRO 479 N -0.36 4.14 -0.92 -0.67 0.04 -1.25 -1.34 135.00 134.64 3mof s PRO 479 Ca 0.34 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.93 3mof s PRO 479 Cb 0.11 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.59 3mof s PRO 479 CO -0.15 -0.66 0.00 1.19 0.04 0.00 0.00 177.00 177.42 3mof n PHE 480 N 2.95 -0.21 -1.49 0.56 3.01 -0.49 -0.79 117.46 121.01 3mof n PHE 480 Ca 0.11 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.40 3mof n PHE 480 Cb 0.37 -2.22 -0.07 0.00 -0.01 0.00 0.00 39.48 37.55 3mof n PHE 480 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mof n ALA 481 N 0.61 -0.26 -0.15 4.37 0.00 -0.45 -4.62 120.51 120.01 3mof n ALA 481 Ca -0.09 0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.68 3mof n ALA 481 Cb 0.41 -1.84 0.14 0.00 0.00 0.00 0.00 19.45 18.16 3mof n ALA 481 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3mof n MET 482 N -2.20 2.85 -0.26 0.00 2.81 0.03 -4.72 117.12 115.63 3mof n MET 482 Ca -0.17 -2.00 0.06 0.00 -1.81 0.00 0.00 57.70 53.78 3mof n MET 482 Cb 0.60 -1.25 0.19 0.00 -0.71 0.00 0.00 33.22 32.05 3mof n MET 482 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3mof h ARG 483 N 1.88 0.46 -0.00 0.03 2.43 -1.84 0.84 114.38 118.18 3mof h ARG 483 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3mof h ARG 483 Cb 0.71 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3mof h ARG 483 CO 0.00 0.30 -0.00 -2.30 -1.51 0.00 0.00 179.97 176.46 3mof n PRO 484 N -4.98 0.97 0.00 0.20 -0.02 -1.26 -4.20 135.00 125.71 3mof n PRO 484 Ca 0.15 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3mof n PRO 484 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3mof n PRO 484 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mof n PHE 485 N -0.98 0.00 -1.70 6.00 3.72 0.24 -5.06 117.46 119.68 3mof n PHE 485 Ca 0.23 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.19 3mof n PHE 485 Cb 0.13 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 3mof n PHE 485 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3mof n PHE 486 N -0.18 2.58 1.42 1.38 3.72 -0.89 -3.89 117.46 121.59 3mof n PHE 486 Ca 0.00 0.04 0.14 0.00 -0.05 0.00 0.00 57.45 57.58 3mof n PHE 486 Cb 0.06 -2.66 0.54 0.00 -0.94 0.00 0.00 39.48 36.49 3mof n PHE 486 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mof n GLY 487 N 3.92 -0.65 3.82 1.37 0.00 -1.25 -4.91 105.19 107.49 3mof n GLY 487 Ca 0.17 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 3mof n GLY 487 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mof s TYR 488 N -2.35 0.11 -0.31 1.61 1.13 -1.26 -4.75 117.35 111.53 3mof s TYR 488 Ca 0.31 -0.75 -0.40 0.00 -1.41 0.00 0.00 57.07 54.82 3mof s TYR 488 Cb 0.20 0.82 -0.15 0.00 -1.10 0.00 0.00 41.96 41.73 3mof s TYR 488 CO 0.45 -1.48 1.85 -1.71 -2.51 0.00 0.00 175.55 172.15 3mof n ASN 489 N -1.39 2.26 -0.33 -0.18 2.85 -0.82 -4.70 115.26 112.95 3mof n ASN 489 Ca -0.08 0.94 -0.03 0.00 -0.11 0.00 0.00 54.58 55.30 3mof n ASN 489 Cb 0.60 -1.15 0.09 0.00 1.24 0.00 0.00 39.78 40.56 3mof n ASN 489 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3mof h PHE 490 N 8.20 1.13 -0.75 1.20 3.57 -1.90 -1.10 116.94 127.30 3mof h PHE 490 Ca -0.41 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.25 3mof h PHE 490 Cb 1.32 -0.38 -0.09 0.00 2.79 0.00 0.00 35.95 39.59 3mof h PHE 490 CO 0.82 0.71 0.31 0.78 -2.23 0.00 0.00 178.31 178.69 3mof h GLY 491 N 1.21 1.13 1.62 2.40 0.00 -1.90 0.45 103.07 107.99 3mof h GLY 491 Ca 0.33 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 3mof h GLY 491 CO -0.07 -0.08 -0.27 0.50 0.00 0.00 0.00 176.54 176.62 3mof h LYS 492 N 0.46 0.44 -0.44 4.80 1.79 -1.55 -1.64 116.57 120.44 3mof h LYS 492 Ca 0.40 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 3mof h LYS 492 Cb 0.59 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 3mof h LYS 492 CO -0.38 0.67 0.18 -0.92 -1.08 0.00 0.00 179.45 177.92 3mof h TYR 493 N 0.39 0.66 -0.58 -1.35 5.03 -0.76 -0.17 116.97 120.19 3mof h TYR 493 Ca 0.06 -0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.36 3mof h TYR 493 Cb 0.68 -0.20 -0.05 0.00 1.55 0.00 0.00 36.73 38.71 3mof h TYR 493 CO 0.02 0.57 0.32 -0.07 -1.32 0.00 0.00 178.16 177.68 3mof h LEU 494 N 0.56 0.48 -0.94 2.82 3.38 -0.64 -1.68 115.31 119.29 3mof h LEU 494 Ca 0.15 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3mof h LEU 494 Cb 0.19 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3mof h LEU 494 CO -0.01 0.33 0.25 0.00 0.09 0.00 0.00 178.44 179.10 3mof h ALA 495 N 1.29 1.16 -0.17 1.53 0.00 -1.08 -0.11 119.26 121.88 3mof h ALA 495 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mof h ALA 495 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mof h ALA 495 CO -0.15 0.60 0.08 1.25 0.00 0.00 0.00 179.25 181.03 3mof h HIS 496 N 0.99 0.25 -0.32 0.00 -0.00 -0.78 0.41 115.15 115.71 3mof h HIS 496 Ca 0.23 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.63 3mof h HIS 496 Cb 0.22 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 3mof h HIS 496 CO 0.02 0.27 0.05 -1.49 -0.00 0.00 0.00 177.93 176.78 3mof h TRP 497 N 0.15 0.08 -0.59 5.26 4.06 -1.05 -2.61 115.95 121.26 3mof h TRP 497 Ca 0.06 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 3mof h TRP 497 Cb 0.12 0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 3mof h TRP 497 CO -0.03 0.01 0.36 -0.07 -3.56 0.00 0.00 178.44 175.15 3mof h LEU 498 N 0.16 0.70 -1.93 -4.49 3.38 -0.74 -2.63 115.31 109.76 3mof h LEU 498 Ca 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3mof h LEU 498 Cb 0.17 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3mof h LEU 498 CO -0.21 0.54 -0.04 0.77 0.09 0.00 0.00 178.44 179.59 3mof h SER 499 N 0.81 0.00 -0.86 -0.43 4.64 -0.52 -1.99 113.55 115.19 3mof h SER 499 Ca 0.21 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.71 3mof h SER 499 Cb -0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 61.99 3mof h SER 499 CO -0.04 0.04 0.57 0.24 -0.87 0.00 0.00 176.83 176.76 3mof h MET 500 N 0.00 0.48 0.00 4.77 2.86 -1.36 -0.84 114.93 120.83 3mof h MET 500 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3mof h MET 500 Cb 0.36 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3mof h MET 500 CO 0.01 0.32 0.00 0.00 1.06 0.00 0.00 176.91 178.29 3mof n ALA 501 N -2.49 1.79 -0.12 6.32 0.00 -0.75 -2.58 120.51 122.69 3mof n ALA 501 Ca 0.18 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.75 3mof n ALA 501 Cb 0.59 -1.35 0.29 0.00 0.00 0.00 0.00 19.45 18.97 3mof n ALA 501 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mof n HIS 502 N -1.93 0.81 -2.88 0.00 8.25 -0.32 -4.96 115.22 114.19 3mof n HIS 502 Ca 0.03 -0.41 -0.37 0.00 -0.26 0.00 0.00 57.72 56.72 3mof n HIS 502 Cb 0.24 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 3mof n HIS 502 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3mof s ARG 503 N -1.19 4.48 0.03 -0.41 3.52 -1.06 -4.99 118.95 119.33 3mof s ARG 503 Ca 0.46 1.19 -0.30 0.00 -0.13 0.00 0.00 55.73 56.94 3mof s ARG 503 Cb 0.25 -2.83 -0.09 0.00 -1.56 0.00 0.00 34.95 30.72 3mof s ARG 503 CO 0.33 0.32 1.98 -0.35 -0.81 0.00 0.00 175.30 176.77 3mof n PRO 504 N 0.62 2.85 -1.05 5.12 -0.04 -1.26 -3.24 135.00 138.00 3mof n PRO 504 Ca 0.01 1.04 -0.02 0.00 -0.04 0.00 0.00 63.50 64.49 3mof n PRO 504 Cb 0.50 -3.00 -0.01 0.00 -0.04 0.00 0.00 33.50 30.95 3mof n PRO 504 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mof n ALA 505 N 7.54 -0.03 -1.93 0.55 0.00 -1.26 -4.77 120.51 120.61 3mof n ALA 505 Ca 0.20 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 3mof n ALA 505 Cb 0.40 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 3mof n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mof s ALA 506 N -1.60 3.63 -0.90 0.00 0.00 -1.20 -4.14 121.76 117.54 3mof s ALA 506 Ca 0.00 1.28 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 3mof s ALA 506 Cb 0.00 -3.55 0.23 0.00 0.00 0.00 0.00 23.12 19.80 3mof s ALA 506 CO 0.00 -0.70 0.87 0.15 0.00 0.00 0.00 175.76 176.07 3mof s LYS 507 N 0.04 3.75 0.23 0.00 1.02 0.11 -5.02 119.74 119.87 3mof s LYS 507 Ca 0.61 -2.62 -0.30 0.00 0.02 0.00 0.00 55.97 53.68 3mof s LYS 507 Cb -0.41 -4.48 -0.09 0.00 -0.52 0.00 0.00 37.83 32.33 3mof s LYS 507 CO 0.39 -1.30 1.37 -0.51 -0.92 0.00 0.00 175.35 174.39 3mof s LEU 508 N -0.08 4.40 0.52 3.17 1.43 -1.26 -4.42 118.68 122.44 3mof s LEU 508 Ca 0.22 2.54 -0.17 0.00 -1.03 0.00 0.00 54.13 55.69 3mof s LEU 508 Cb -0.10 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 3mof s LEU 508 CO -0.09 -0.61 1.00 -2.16 0.23 0.00 0.00 176.35 174.72 3mof s PRO 509 N -0.31 3.85 0.52 1.29 0.04 -1.26 -5.02 135.00 134.12 3mof s PRO 509 Ca 0.58 1.00 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 3mof s PRO 509 Cb -0.39 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 3mof s PRO 509 CO 0.41 -0.35 1.34 0.15 0.04 0.00 0.00 177.00 178.58 3mof s LYS 510 N -4.04 3.28 -0.10 4.56 1.02 -0.95 -4.79 119.74 118.73 3mof s LYS 510 Ca 0.60 2.18 0.03 0.00 0.02 0.00 0.00 55.97 58.80 3mof s LYS 510 Cb -0.11 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 3mof s LYS 510 CO 0.32 -1.06 -0.21 0.42 -0.92 0.00 0.00 175.35 173.90 3mof s ILE 511 N -1.33 2.38 0.27 2.17 1.01 -1.26 -0.79 121.20 123.65 3mof s ILE 511 Ca 0.69 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 60.52 3mof s ILE 511 Cb -0.39 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3mof s ILE 511 CO 0.47 0.55 -0.14 -0.36 0.00 0.00 0.00 174.94 175.46 3mof s PHE 512 N 0.23 2.10 -0.03 3.97 0.40 -0.25 -0.94 117.98 123.46 3mof s PHE 512 Ca -0.13 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.72 3mof s PHE 512 Cb -0.17 -1.04 0.01 0.00 0.51 0.00 0.00 43.02 42.33 3mof s PHE 512 CO 0.07 0.52 -0.09 -1.58 0.70 0.00 0.00 175.22 174.84 3mof s HIS 513 N -2.74 1.03 0.27 0.36 2.46 -0.30 -0.47 115.29 115.89 3mof s HIS 513 Ca 0.28 -0.28 0.11 0.00 0.47 0.00 0.00 55.06 55.64 3mof s HIS 513 Cb -0.01 -0.75 -0.05 0.00 -0.13 0.00 0.00 32.58 31.64 3mof s HIS 513 CO 0.13 -0.14 -0.17 0.14 -2.47 0.00 0.00 174.74 172.23 3mof s VAL 514 N 0.34 2.24 -0.26 0.89 -7.23 0.66 -1.28 120.40 115.76 3mof s VAL 514 Ca -0.06 -2.33 -0.02 0.00 -1.81 0.00 0.00 61.98 57.76 3mof s VAL 514 Cb -0.10 -2.27 0.12 0.00 0.56 0.00 0.00 36.38 34.69 3mof s VAL 514 CO 0.01 -0.43 0.29 0.21 -0.31 0.00 0.00 175.10 174.87 3mof s ASN 515 N -3.47 1.37 0.00 4.85 2.47 -0.29 -3.81 114.94 116.06 3mof s ASN 515 Ca 0.28 -0.47 0.29 0.00 0.42 0.00 0.00 52.86 53.38 3mof s ASN 515 Cb -0.03 0.57 1.17 0.00 -1.45 0.00 0.00 41.25 41.51 3mof s ASN 515 CO 0.13 -0.36 1.85 0.79 -3.72 0.00 0.00 177.10 175.79 3mof n TRP 516 N 5.32 0.00 -0.57 0.43 5.03 -1.26 -4.30 117.44 122.09 3mof n TRP 516 Ca -0.03 0.00 0.06 0.00 3.03 0.00 0.00 57.50 60.56 3mof n TRP 516 Cb 0.48 -0.35 0.15 0.00 -1.03 0.00 0.00 31.31 30.56 3mof n TRP 516 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 3mof n PHE 517 N -1.35 0.44 -2.17 -5.99 3.72 -1.26 -4.65 117.46 106.20 3mof n PHE 517 Ca 0.10 -0.71 -0.41 0.00 -0.05 0.00 0.00 57.45 56.38 3mof n PHE 517 Cb 0.31 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 3mof n PHE 517 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3mof s ARG 518 N -1.92 4.39 0.13 -1.08 3.52 -1.20 -3.91 118.95 118.89 3mof s ARG 518 Ca 0.26 2.15 0.09 0.00 -0.13 0.00 0.00 55.73 58.10 3mof s ARG 518 Cb 0.20 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 3mof s ARG 518 CO 0.08 -0.15 -0.22 0.15 -0.81 0.00 0.00 175.30 174.35 3mof s LYS 519 N -1.50 1.27 0.99 5.12 1.02 0.19 -1.14 119.74 125.69 3mof s LYS 519 Ca 0.50 -1.30 -0.16 0.00 0.02 0.00 0.00 55.97 55.02 3mof s LYS 519 Cb -0.38 -1.54 0.21 0.00 -0.52 0.00 0.00 37.83 35.59 3mof s LYS 519 CO 0.49 0.35 1.31 0.16 -0.92 0.00 0.00 175.35 176.74 3mof s ASP 520 N -2.21 2.90 0.47 2.83 3.84 -0.63 -4.77 116.67 119.10 3mof s ASP 520 Ca 0.12 0.29 0.32 0.00 -0.00 0.00 0.00 52.55 53.27 3mof s ASP 520 Cb -0.09 -0.33 1.72 0.00 -1.38 0.00 0.00 42.92 42.84 3mof s ASP 520 CO 0.06 -2.87 1.97 0.07 -0.00 0.00 0.00 175.17 174.40 3mof h LYS 521 N -1.74 0.00 -0.14 2.11 2.10 -1.98 0.07 116.57 117.00 3mof h LYS 521 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3mof h LYS 521 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3mof h LYS 521 CO 0.37 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.91 3mof n ASN 522 N -2.61 2.62 0.00 7.07 3.02 -1.26 -4.95 115.26 119.15 3mof n ASN 522 Ca -0.02 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.67 3mof n ASN 522 Cb 0.05 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3mof n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mof n GLY 523 N 1.32 0.55 3.80 7.41 0.00 0.01 -5.04 105.19 113.25 3mof n GLY 523 Ca 0.17 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3mof n GLY 523 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mof s LYS 524 N -0.37 4.25 0.24 1.61 2.20 -1.26 -4.83 119.74 121.57 3mof s LYS 524 Ca 0.00 0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 56.10 3mof s LYS 524 Cb 0.00 -3.25 -0.10 0.00 -1.51 0.00 0.00 37.83 32.97 3mof s LYS 524 CO 0.00 0.62 1.51 -0.06 -0.36 0.00 0.00 175.35 177.06 3mof s PHE 525 N -1.07 2.97 -0.30 4.03 2.99 -1.26 -1.61 117.98 123.72 3mof s PHE 525 Ca 0.30 0.86 0.20 0.00 0.00 0.00 0.00 56.93 58.29 3mof s PHE 525 Cb -0.20 -3.90 0.25 0.00 0.00 0.00 0.00 43.02 39.16 3mof s PHE 525 CO 0.20 -3.08 1.55 -0.07 -0.00 0.00 0.00 175.22 173.82 3mof h LEU 526 N 5.47 0.00 -8.20 -0.37 3.38 -1.46 -3.45 115.31 110.69 3mof h LEU 526 Ca -0.45 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.90 3mof h LEU 526 Cb 1.21 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.63 3mof h LEU 526 CO 0.82 0.22 -0.86 0.86 0.09 0.00 0.00 178.44 179.57 3mof s TRP 527 N -3.12 2.19 0.46 1.13 -0.11 -1.26 -4.64 118.94 113.58 3mof s TRP 527 Ca 0.06 -0.90 0.16 0.00 1.22 0.00 0.00 56.10 56.64 3mof s TRP 527 Cb 0.06 -1.50 1.10 0.00 -1.50 0.00 0.00 33.47 31.63 3mof s TRP 527 CO 0.70 -0.39 2.03 -1.00 -4.62 0.00 0.00 176.95 173.66 3mof h PRO 528 N 6.88 0.00 0.00 5.86 0.13 -1.91 -3.48 132.00 139.48 3mof h PRO 528 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3mof h PRO 528 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3mof h PRO 528 CO 0.48 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 3mof n GLY 529 N -1.06 0.96 7.00 1.56 0.00 -1.26 -4.91 105.19 107.48 3mof n GLY 529 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3mof n GLY 529 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mof n PHE 530 N 0.00 0.00 0.06 1.61 3.72 -1.26 -1.56 117.46 120.03 3mof n PHE 530 Ca 0.00 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.61 3mof n PHE 530 Cb 0.00 0.00 0.74 0.00 -0.94 0.00 0.00 39.48 39.28 3mof n PHE 530 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3mof h GLY 531 N 0.00 0.00 2.00 1.37 0.00 -1.85 -0.12 103.07 104.47 3mof h GLY 531 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mof h GLY 531 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 3mof n GLU 532 N -3.87 0.24 0.16 4.80 -0.58 -0.60 -2.16 120.64 118.64 3mof n GLU 532 Ca 0.08 0.30 0.12 0.00 -0.42 0.00 0.00 57.16 57.23 3mof n GLU 532 Cb 0.62 -1.84 0.59 0.00 -0.57 0.00 0.00 31.44 30.25 3mof n GLU 532 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3mof n ASN 533 N -2.27 0.61 -0.01 1.62 3.02 -0.06 -1.76 115.26 116.40 3mof n ASN 533 Ca 0.04 0.76 0.17 0.00 -0.03 0.00 0.00 54.58 55.52 3mof n ASN 533 Cb 0.36 -0.85 0.63 0.00 -0.61 0.00 0.00 39.78 39.31 3mof n ASN 533 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3mof h SER 534 N 0.00 0.12 -0.23 6.41 4.64 -1.61 -1.38 113.55 121.50 3mof h SER 534 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3mof h SER 534 Cb 0.07 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3mof h SER 534 CO 0.00 0.07 -0.17 0.03 -0.87 0.00 0.00 176.83 175.89 3mof h ARG 535 N 0.13 0.65 -0.24 4.77 3.08 -1.60 -0.14 114.38 121.04 3mof h ARG 535 Ca 0.25 -0.23 -0.17 0.00 0.07 0.00 0.00 59.98 59.90 3mof h ARG 535 Cb 0.82 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3mof h ARG 535 CO -0.03 0.79 -0.54 0.28 -1.07 0.00 0.00 179.97 179.40 3mof h VAL 536 N 0.59 1.30 -0.18 2.04 2.07 -1.46 -2.84 116.25 117.77 3mof h VAL 536 Ca 0.10 -1.76 -0.09 0.00 0.82 0.00 0.00 66.70 65.77 3mof h VAL 536 Cb 0.62 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3mof h VAL 536 CO 0.04 0.56 -0.27 -0.07 0.02 0.00 0.00 177.57 177.85 3mof h LEU 537 N 0.54 0.34 -0.68 2.57 3.38 -1.07 -1.68 115.31 118.72 3mof h LEU 537 Ca 0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3mof h LEU 537 Cb 1.11 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3mof h LEU 537 CO 0.11 0.61 0.41 -0.08 0.09 0.00 0.00 178.44 179.59 3mof h GLU 538 N 0.31 0.92 -0.67 1.13 4.81 -0.96 -0.82 114.58 119.29 3mof h GLU 538 Ca 0.05 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3mof h GLU 538 Cb 0.64 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3mof h GLU 538 CO 0.05 0.65 0.29 2.35 -0.73 0.00 0.00 179.01 181.62 3mof h TRP 539 N 0.93 1.01 -0.35 0.92 7.01 -1.09 -1.87 115.95 122.51 3mof h TRP 539 Ca 0.24 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.18 3mof h TRP 539 Cb -0.03 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.70 3mof h TRP 539 CO -0.02 0.78 0.22 0.52 -2.79 0.00 0.00 178.44 177.15 3mof h MET 540 N 0.95 0.47 -0.39 2.65 2.86 -1.10 -0.38 114.93 119.99 3mof h MET 540 Ca 0.23 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3mof h MET 540 Cb 0.18 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 3mof h MET 540 CO -0.02 0.33 0.16 0.35 1.06 0.00 0.00 176.91 178.79 3mof h PHE 541 N 0.46 0.29 -0.45 -0.22 3.04 -0.90 -0.82 116.94 118.33 3mof h PHE 541 Ca 0.13 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.05 3mof h PHE 541 Cb -0.02 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 3mof h PHE 541 CO -0.05 0.13 0.11 0.78 -2.02 0.00 0.00 178.31 177.26 3mof h GLY 542 N 0.33 0.78 0.74 2.40 0.00 -1.10 -1.54 103.07 104.69 3mof h GLY 542 Ca 0.18 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 47.07 3mof h GLY 542 CO -0.16 0.46 0.60 3.21 0.00 0.00 0.00 176.54 180.65 3mof h ARG 543 N 0.60 1.07 -0.03 4.80 2.47 -0.70 -0.25 114.38 122.34 3mof h ARG 543 Ca 0.14 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.73 3mof h ARG 543 Cb 0.33 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3mof h ARG 543 CO 0.00 0.71 -0.32 0.82 0.56 0.00 0.00 179.97 181.74 3mof h ILE 544 N 1.10 1.24 -0.00 2.04 2.04 -0.91 -1.84 117.51 121.19 3mof h ILE 544 Ca 0.41 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3mof h ILE 544 Cb 0.15 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3mof h ILE 544 CO -0.17 0.33 -0.02 -0.62 0.00 0.00 0.00 178.15 177.67 3mof n GLU 545 N -4.15 0.51 -0.38 2.37 -0.58 -0.20 -4.89 120.64 113.32 3mof n GLU 545 Ca -0.02 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3mof n GLU 545 Cb 0.37 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 3mof n GLU 545 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mof n GLY 546 N 1.27 0.79 3.77 0.62 0.00 -0.69 -5.06 105.19 105.89 3mof n GLY 546 Ca 0.15 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3mof n GLY 546 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mof s GLU 547 N -0.68 4.08 -1.47 1.61 2.02 -0.64 -4.90 118.70 118.73 3mof s GLU 547 Ca 0.00 2.29 -0.10 0.00 0.02 0.00 0.00 54.97 57.19 3mof s GLU 547 Cb 0.00 -2.89 0.02 0.00 0.10 0.00 0.00 34.13 31.37 3mof s GLU 547 CO 0.00 -0.44 2.53 -3.47 0.02 0.00 0.00 175.26 173.90 3mof n ASP 548 N 0.36 7.14 -0.40 -0.19 2.03 -1.26 -4.53 116.55 119.71 3mof n ASP 548 Ca 0.02 -2.84 0.06 0.00 0.52 0.00 0.00 54.79 52.55 3mof n ASP 548 Cb 0.42 -1.52 0.14 0.00 -0.72 0.00 0.00 41.12 39.44 3mof n ASP 548 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3mof n SER 549 N 3.65 2.80 -4.36 1.67 3.41 -1.26 -5.01 113.62 114.52 3mof n SER 549 Ca 0.64 -2.56 -0.28 0.00 -0.26 0.00 0.00 58.87 56.41 3mof n SER 549 Cb 0.28 -0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 63.79 3mof n SER 549 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mof s ALA 550 N -1.98 2.24 -0.01 7.33 0.00 -1.26 -1.10 121.76 126.98 3mof s ALA 550 Ca 0.25 -1.39 0.04 0.00 0.00 0.00 0.00 51.96 50.86 3mof s ALA 550 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3mof s ALA 550 CO 0.07 0.50 -0.13 -1.59 0.00 0.00 0.00 175.76 174.60 3mof s LYS 551 N -1.92 1.07 0.17 0.00 -2.85 0.42 -4.72 119.74 111.91 3mof s LYS 551 Ca 0.12 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.29 3mof s LYS 551 Cb -0.10 -1.04 -0.07 0.00 -2.06 0.00 0.00 37.83 34.56 3mof s LYS 551 CO 0.05 0.28 0.99 -1.17 0.10 0.00 0.00 175.35 175.60 3mof s LEU 552 N -0.39 4.54 0.34 2.77 2.96 -1.26 -1.10 118.68 126.54 3mof s LEU 552 Ca 0.05 1.92 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 3mof s LEU 552 Cb -0.05 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 3mof s LEU 552 CO -0.00 -0.04 0.12 0.42 -1.32 0.00 0.00 176.35 175.54 3mof s THR 553 N -0.45 0.60 0.53 3.68 -4.23 -0.21 -4.91 115.64 110.66 3mof s THR 553 Ca 0.46 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.21 3mof s THR 553 Cb -0.26 -2.53 0.39 0.00 1.34 0.00 0.00 72.50 71.44 3mof s THR 553 CO 0.32 0.00 2.01 -0.65 -0.54 0.00 0.00 174.62 175.76 3mof h PRO 554 N 2.08 0.00 -0.00 3.99 0.11 -1.97 -2.54 132.00 133.66 3mof h PRO 554 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3mof h PRO 554 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3mof h PRO 554 CO 0.58 0.00 -0.86 0.44 -0.21 0.00 0.00 178.00 177.94 3mof n ILE 555 N -4.38 0.00 -0.03 4.15 -5.35 -1.26 -4.83 119.36 107.66 3mof n ILE 555 Ca 0.09 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 3mof n ILE 555 Cb 0.56 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 3mof n ILE 555 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mof n GLY 556 N 1.49 0.98 3.76 3.28 0.00 -0.96 -4.88 105.19 108.86 3mof n GLY 556 Ca 0.05 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 3mof n GLY 556 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mof s TYR 557 N -2.37 3.76 0.34 1.61 1.51 0.04 -1.05 117.35 121.20 3mof s TYR 557 Ca 0.00 1.45 0.08 0.00 -1.01 0.00 0.00 57.07 57.60 3mof s TYR 557 Cb 0.00 -2.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.04 3mof s TYR 557 CO 0.00 0.34 0.14 0.14 -1.11 0.00 0.00 175.55 175.06 3mof s VAL 558 N -0.31 3.01 0.36 0.71 -7.23 -0.26 0.27 120.40 116.96 3mof s VAL 558 Ca 0.37 -1.70 -0.28 0.00 -1.81 0.00 0.00 61.98 58.55 3mof s VAL 558 Cb -0.21 -2.98 -0.11 0.00 0.56 0.00 0.00 36.38 33.65 3mof s VAL 558 CO 0.23 -0.18 1.52 -2.84 -0.31 0.00 0.00 175.10 173.51 3mof s PRO 559 N -3.85 4.10 0.87 4.82 0.02 -1.26 -0.44 135.00 139.26 3mof s PRO 559 Ca 0.38 2.59 -0.11 0.00 0.02 0.00 0.00 61.00 63.88 3mof s PRO 559 Cb -0.02 -2.97 0.12 0.00 0.02 0.00 0.00 34.50 31.65 3mof s PRO 559 CO 0.23 -0.57 1.16 0.15 -0.33 0.00 0.00 177.00 177.63 3mof s LYS 560 N -1.82 1.29 0.30 5.54 1.02 -0.26 -4.63 119.74 121.19 3mof s LYS 560 Ca 0.55 1.56 -0.30 0.00 0.02 0.00 0.00 55.97 57.80 3mof s LYS 560 Cb -0.47 -1.76 -0.12 0.00 -0.52 0.00 0.00 37.83 34.96 3mof s LYS 560 CO 0.61 -2.43 1.55 0.39 -0.92 0.00 0.00 175.35 174.54 3mof n GLU 561 N -3.93 2.58 -0.85 1.68 1.02 -1.26 -1.43 120.64 118.45 3mof n GLU 561 Ca 0.12 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.18 3mof n GLU 561 Cb 0.52 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 3mof n GLU 561 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3mof n ASP 562 N 1.93 -0.24 0.04 1.62 8.00 -1.26 -4.89 116.55 121.75 3mof n ASP 562 Ca 0.08 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.47 3mof n ASP 562 Cb 0.36 -0.82 0.01 0.00 -0.02 0.00 0.00 41.12 40.66 3mof n ASP 562 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mof h ALA 563 N 0.00 0.55 -2.67 2.24 0.00 -1.58 -3.44 119.26 114.35 3mof h ALA 563 Ca 0.00 -0.61 -0.53 0.00 0.00 0.00 0.00 54.91 53.77 3mof h ALA 563 Cb 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3mof h ALA 563 CO 0.00 0.75 0.21 -0.51 0.00 0.00 0.00 179.25 179.70 3mof s LEU 564 N -8.03 4.52 -0.41 0.00 1.43 -1.26 -4.94 118.68 109.99 3mof s LEU 564 Ca -0.06 1.60 -0.28 0.00 -1.03 0.00 0.00 54.13 54.35 3mof s LEU 564 Cb 0.10 -3.33 -0.00 0.00 0.03 0.00 0.00 46.19 42.99 3mof s LEU 564 CO 0.85 0.07 1.56 0.21 0.23 0.00 0.00 176.35 179.27 3mof s ASN 565 N -0.46 6.13 0.00 2.29 3.84 -1.26 -4.81 114.94 120.66 3mof s ASN 565 Ca 0.39 0.91 0.08 0.00 0.21 0.00 0.00 52.86 54.45 3mof s ASN 565 Cb -0.22 -2.54 0.18 0.00 -0.55 0.00 0.00 41.25 38.13 3mof s ASN 565 CO 0.26 -1.59 1.07 0.18 -2.79 0.00 0.00 177.10 174.23 3mof n LEU 566 N 9.54 2.42 -4.77 3.21 4.77 -1.26 -4.87 117.00 126.04 3mof n LEU 566 Ca 0.18 -1.72 -0.41 0.00 -0.03 0.00 0.00 56.01 54.04 3mof n LEU 566 Cb 0.48 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 3mof n LEU 566 CO 0.70 0.58 0.95 -1.59 -1.33 0.00 0.00 177.39 176.70 3mof s LYS 567 N -0.91 4.40 0.00 3.23 -2.85 -1.26 -2.40 119.74 119.94 3mof s LYS 567 Ca 0.15 2.15 0.00 0.00 -1.00 0.00 0.00 55.97 57.28 3mof s LYS 567 Cb 0.08 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.76 3mof s LYS 567 CO 0.11 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.84 3mof n GLY 568 N 0.93 2.08 0.06 0.59 0.00 -1.26 -4.87 105.19 102.72 3mof n GLY 568 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3mof n GLY 568 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mof n LEU 569 N 0.00 1.32 0.00 0.99 4.77 -1.01 -5.02 117.00 118.06 3mof n LEU 569 Ca 0.00 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3mof n LEU 569 Cb 0.00 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 3mof n LEU 569 CO 0.00 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 3mof n GLY 570 N 1.54 2.08 2.70 -0.72 0.00 -1.22 -4.71 105.19 104.86 3mof n GLY 570 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3mof n GLY 570 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mof n ASP 571 N 6.15 0.00 -4.15 1.61 5.75 -1.26 -4.62 116.55 120.03 3mof n ASP 571 Ca 0.00 -1.57 -0.34 0.00 -0.01 0.00 0.00 54.79 52.88 3mof n ASP 571 Cb 0.00 -0.20 -0.15 0.00 -1.03 0.00 0.00 41.12 39.74 3mof n ASP 571 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3mof s VAL 572 N 3.54 2.58 -0.71 2.12 -7.23 -1.26 -5.01 120.40 114.43 3mof s VAL 572 Ca 0.00 -1.21 -0.26 0.00 -1.81 0.00 0.00 61.98 58.70 3mof s VAL 572 Cb 0.00 -2.35 0.04 0.00 0.56 0.00 0.00 36.38 34.63 3mof s VAL 572 CO 0.00 0.16 1.17 0.21 -0.31 0.00 0.00 175.10 176.33 3mof s ASN 573 N 1.25 6.17 0.17 4.85 3.84 -1.26 -4.88 114.94 125.09 3mof s ASN 573 Ca -0.02 -0.61 0.08 0.00 0.21 0.00 0.00 52.86 52.52 3mof s ASN 573 Cb -0.17 -2.51 -0.01 0.00 -0.55 0.00 0.00 41.25 38.01 3mof s ASN 573 CO -0.06 -1.69 1.40 -0.37 -2.79 0.00 0.00 177.10 173.59 3mof h VAL 574 N 6.01 1.61 0.27 -5.21 -1.51 -1.97 -0.21 116.25 115.25 3mof h VAL 574 Ca -0.28 -2.94 0.00 0.00 -1.23 0.00 0.00 66.70 62.25 3mof h VAL 574 Cb 1.06 2.59 -0.04 0.00 -2.13 0.00 0.00 31.29 32.77 3mof h VAL 574 CO 1.24 0.84 -0.47 -0.33 -1.23 0.00 0.00 177.57 177.62 3mof h GLU 575 N 0.00 -0.78 0.22 5.19 5.08 -1.95 0.39 114.58 122.74 3mof h GLU 575 Ca -0.01 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3mof h GLU 575 Cb 1.53 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 3mof h GLU 575 CO 0.11 -0.52 -0.15 0.93 -1.00 0.00 0.00 179.01 178.38 3mof h GLU 576 N -0.81 -0.35 -0.41 2.33 5.08 -1.95 0.34 114.58 118.81 3mof h GLU 576 Ca -0.02 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3mof h GLU 576 Cb 0.77 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3mof h GLU 576 CO -0.18 -0.23 0.15 1.25 -1.00 0.00 0.00 179.01 179.01 3mof h LEU 577 N -0.36 0.52 -2.66 1.33 5.85 -0.89 -2.70 115.31 116.41 3mof h LEU 577 Ca -0.02 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3mof h LEU 577 Cb 0.31 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3mof h LEU 577 CO 0.01 0.48 0.00 0.49 -0.34 0.00 0.00 178.44 179.08 3mof n PHE 578 N -4.37 0.43 -1.69 1.25 3.72 0.14 -2.74 117.46 114.19 3mof n PHE 578 Ca 0.03 -0.42 -0.43 0.00 -0.05 0.00 0.00 57.45 56.57 3mof n PHE 578 Cb 0.15 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 3mof n PHE 578 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mof n GLY 579 N 0.62 0.82 2.95 1.37 0.00 0.12 -4.89 105.19 106.17 3mof n GLY 579 Ca 0.12 0.43 -0.30 0.00 0.00 0.00 0.00 46.02 46.26 3mof n GLY 579 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mof s ILE 580 N -0.40 1.58 -0.20 -0.61 1.01 -1.26 -4.55 121.20 116.78 3mof s ILE 580 Ca 0.63 -1.28 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 3mof s ILE 580 Cb -0.59 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3mof s ILE 580 CO 0.54 -0.11 0.43 -0.55 0.00 0.00 0.00 174.94 175.24 3mof s SER 581 N 1.37 6.47 0.21 3.58 0.15 -1.26 -4.97 113.70 119.25 3mof s SER 581 Ca -0.06 0.56 -0.11 0.00 0.70 0.00 0.00 55.95 57.04 3mof s SER 581 Cb -0.19 -2.25 0.29 0.00 -1.71 0.00 0.00 66.02 62.16 3mof s SER 581 CO -0.06 -0.09 1.65 0.50 1.20 0.00 0.00 173.24 176.43 3mof h LYS 582 N 7.36 0.07 -0.46 5.44 3.64 -1.98 -1.57 116.57 129.07 3mof h LYS 582 Ca -0.36 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.06 3mof h LYS 582 Cb 1.16 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 3mof h LYS 582 CO 0.72 0.04 0.23 1.49 -2.27 0.00 0.00 179.45 179.66 3mof h GLU 583 N 0.07 0.44 -0.46 1.90 4.81 -1.97 0.68 114.58 120.05 3mof h GLU 583 Ca 0.32 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3mof h GLU 583 Cb 0.52 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3mof h GLU 583 CO -0.58 0.29 0.15 0.35 -0.73 0.00 0.00 179.01 178.48 3mof h PHE 584 N 0.45 0.74 -0.02 0.92 3.57 -1.91 -2.82 116.94 117.87 3mof h PHE 584 Ca 0.20 -0.07 -0.17 0.00 3.53 0.00 0.00 57.97 61.46 3mof h PHE 584 Cb 0.10 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3mof h PHE 584 CO -0.10 0.66 -0.74 -1.49 -2.23 0.00 0.00 178.31 174.41 3mof h TRP 585 N 0.61 0.23 0.03 0.41 4.06 -0.90 0.04 115.95 120.42 3mof h TRP 585 Ca 0.15 -0.11 0.01 0.00 2.06 0.00 0.00 58.89 61.00 3mof h TRP 585 Cb 0.26 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 3mof h TRP 585 CO 0.01 0.84 -0.08 0.93 -3.56 0.00 0.00 178.44 176.59 3mof h GLU 586 N 0.11 -0.15 -0.51 0.49 5.08 -0.88 0.21 114.58 118.93 3mof h GLU 586 Ca -0.02 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 3mof h GLU 586 Cb 1.30 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.50 3mof h GLU 586 CO 0.11 -0.10 0.00 -0.22 -1.00 0.00 0.00 179.01 177.81 3mof h LYS 587 N -0.15 0.12 -0.18 2.33 1.63 -1.37 -2.51 116.57 116.44 3mof h LYS 587 Ca 0.02 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3mof h LYS 587 Cb 0.18 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 3mof h LYS 587 CO -0.06 0.08 0.09 1.49 -3.45 0.00 0.00 179.45 177.59 3mof h GLU 588 N 0.12 0.26 -1.01 1.90 4.57 -0.69 -1.18 114.58 118.55 3mof h GLU 588 Ca 0.26 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.45 3mof h GLU 588 Cb 0.39 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.87 3mof h GLU 588 CO -0.43 0.30 0.65 0.28 -1.18 0.00 0.00 179.01 178.63 3mof h VAL 589 N 0.16 1.13 -0.55 0.32 2.07 -0.92 -0.73 116.25 117.73 3mof h VAL 589 Ca 0.06 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 3mof h VAL 589 Cb 0.12 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 3mof h VAL 589 CO -0.01 0.22 0.09 -0.08 0.02 0.00 0.00 177.57 177.81 3mof h GLU 590 N 1.22 0.88 -0.34 1.57 4.57 -1.04 -0.18 114.58 121.26 3mof h GLU 590 Ca 0.42 -0.21 -0.16 0.00 -1.18 0.00 0.00 59.36 58.23 3mof h GLU 590 Cb 0.10 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3mof h GLU 590 CO -0.15 0.82 -0.43 0.93 -1.18 0.00 0.00 179.01 179.00 3mof h GLU 591 N 0.83 0.89 -0.11 1.92 4.39 -0.38 -0.44 114.58 121.69 3mof h GLU 591 Ca 0.17 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 3mof h GLU 591 Cb 0.37 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3mof h GLU 591 CO 0.01 1.15 0.06 0.82 -1.16 0.00 0.00 179.01 179.89 3mof h ILE 592 N 0.68 1.06 -0.03 3.13 2.04 -1.01 -2.11 117.51 121.28 3mof h ILE 592 Ca 0.04 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.76 3mof h ILE 592 Cb 1.03 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 3mof h ILE 592 CO 0.10 0.06 -0.46 -0.78 0.00 0.00 0.00 178.15 177.07 3mof h ASP 593 N 0.10 -1.41 -0.96 1.72 1.82 -0.82 -0.62 116.42 116.26 3mof h ASP 593 Ca 0.04 0.17 0.16 0.00 -0.39 0.00 0.00 57.03 57.01 3mof h ASP 593 Cb 0.04 0.55 -0.09 0.00 0.68 0.00 0.00 39.33 40.51 3mof h ASP 593 CO -0.01 -0.47 0.61 0.11 -1.61 0.00 0.00 179.24 177.87 3mof h LYS 594 N -0.59 0.74 0.20 0.28 1.57 -1.06 -1.18 116.57 116.54 3mof h LYS 594 Ca 0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3mof h LYS 594 Cb 0.67 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3mof h LYS 594 CO -0.35 0.49 -0.10 -0.92 -0.57 0.00 0.00 179.45 178.00 3mof h TYR 595 N 0.77 -0.26 -0.75 -1.35 3.20 -0.82 -2.59 116.97 115.16 3mof h TYR 595 Ca 0.51 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.34 3mof h TYR 595 Cb 0.77 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 3mof h TYR 595 CO -0.00 0.14 0.34 -0.07 -1.64 0.00 0.00 178.16 176.92 3mof h LEU 596 N -0.88 1.00 -0.03 2.82 3.38 -0.92 0.31 115.31 120.98 3mof h LEU 596 Ca -0.03 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3mof h LEU 596 Cb 0.51 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3mof h LEU 596 CO 0.05 0.87 -0.22 -0.08 0.09 0.00 0.00 178.44 179.15 3mof h GLU 597 N 1.06 -0.32 0.19 1.13 4.81 -1.30 0.59 114.58 120.75 3mof h GLU 597 Ca 0.25 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3mof h GLU 597 Cb 0.16 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3mof h GLU 597 CO -0.03 -0.21 -0.09 0.22 -0.73 0.00 0.00 179.01 178.17 3mof h ASP 598 N -0.33 -0.21 0.80 1.04 -0.00 -1.24 -2.32 116.42 114.16 3mof h ASP 598 Ca 0.07 -0.29 -0.24 0.00 -0.00 0.00 0.00 57.03 56.57 3mof h ASP 598 Cb 0.43 0.06 -0.03 0.00 -0.00 0.00 0.00 39.33 39.79 3mof h ASP 598 CO -0.22 0.22 -1.21 1.56 -0.00 0.00 0.00 179.24 179.58 3mof h GLN 599 N -0.70 0.07 0.00 0.28 1.08 -0.39 -0.25 115.11 115.20 3mof h GLN 599 Ca -0.03 -0.11 -0.27 0.00 -1.45 0.00 0.00 58.65 56.79 3mof h GLN 599 Cb 0.49 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 3mof h GLN 599 CO 0.04 0.96 -2.02 0.28 -0.95 0.00 0.00 178.83 177.14 3mof n VAL 600 N -3.34 1.03 0.00 -0.54 0.31 0.07 -4.58 118.33 111.29 3mof n VAL 600 Ca -0.06 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 3mof n VAL 600 Cb 0.98 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 3mof n VAL 600 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3mof n ASN 601 N -2.96 0.00 0.11 4.52 5.15 -0.43 -1.73 115.26 119.93 3mof n ASN 601 Ca -0.31 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 53.79 3mof n ASN 601 Cb 0.86 0.00 0.46 0.00 -0.53 0.00 0.00 39.78 40.57 3mof n ASN 601 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mof n ALA 602 N 12.17 1.86 0.47 5.20 0.00 -1.26 -2.47 120.51 136.48 3mof n ALA 602 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.59 3mof n ALA 602 Cb 0.00 -1.41 0.27 0.00 0.00 0.00 0.00 19.45 18.31 3mof n ALA 602 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mof n ASP 603 N -2.18 2.89 -4.66 0.00 8.00 -0.70 -4.93 116.55 114.96 3mof n ASP 603 Ca 0.03 -1.93 -0.43 0.00 0.71 0.00 0.00 54.79 53.17 3mof n ASP 603 Cb 0.29 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 3mof n ASP 603 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3mof s LEU 604 N -1.31 4.18 0.55 0.64 2.96 -1.03 -4.39 118.68 120.27 3mof s LEU 604 Ca 0.37 1.74 -0.20 0.00 -0.22 0.00 0.00 54.13 55.82 3mof s LEU 604 Cb 0.20 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 3mof s LEU 604 CO 0.28 -0.80 1.15 -2.84 -1.32 0.00 0.00 176.35 172.83 3mof s PRO 605 N 3.60 3.31 0.27 0.98 0.02 -1.26 -4.88 135.00 137.04 3mof s PRO 605 Ca 0.57 1.68 -0.00 0.00 0.02 0.00 0.00 61.00 63.27 3mof s PRO 605 Cb -0.23 -2.03 0.51 0.00 0.02 0.00 0.00 34.50 32.77 3mof s PRO 605 CO 0.17 -0.90 1.84 -0.92 -0.33 0.00 0.00 177.00 176.85 3mof h TYR 606 N 1.21 1.10 -0.47 6.54 3.20 -1.99 -1.48 116.97 125.08 3mof h TYR 606 Ca -0.50 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 3mof h TYR 606 Cb 1.27 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 3mof h TYR 606 CO 0.50 0.46 0.22 0.93 -1.64 0.00 0.00 178.16 178.63 3mof h GLU 607 N 0.98 0.66 -0.15 1.82 3.07 -1.99 0.24 114.58 119.22 3mof h GLU 607 Ca 0.47 -0.08 -0.19 0.00 -0.50 0.00 0.00 59.36 59.07 3mof h GLU 607 Cb 0.43 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 3mof h GLU 607 CO -0.25 0.52 -0.65 0.82 -1.40 0.00 0.00 179.01 178.04 3mof h ILE 608 N 0.66 1.31 -0.92 3.13 1.08 -1.64 -1.42 117.51 119.70 3mof h ILE 608 Ca 0.17 -1.89 0.02 0.00 -0.39 0.00 0.00 64.86 62.76 3mof h ILE 608 Cb 0.08 2.03 -0.05 0.00 -3.07 0.00 0.00 36.82 35.81 3mof h ILE 608 CO -0.02 0.59 0.61 -0.08 -0.69 0.00 0.00 178.15 178.56 3mof h GLU 609 N 0.39 1.20 -0.47 2.37 4.22 -1.11 -0.83 114.58 120.35 3mof h GLU 609 Ca -0.04 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.27 3mof h GLU 609 Cb 1.29 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 3mof h GLU 609 CO 0.14 0.79 0.08 -0.09 -2.18 0.00 0.00 179.01 177.75 3mof h ARG 610 N 1.23 0.78 -0.73 1.92 2.43 -0.29 -1.34 114.38 118.39 3mof h ARG 610 Ca 0.34 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3mof h ARG 610 Cb -0.11 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3mof h ARG 610 CO -0.08 0.78 0.37 0.93 -1.51 0.00 0.00 179.97 180.46 3mof h GLU 611 N 0.65 1.03 0.07 0.20 4.39 -0.83 0.11 114.58 120.20 3mof h GLU 611 Ca 0.14 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.73 3mof h GLU 611 Cb 0.38 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 3mof h GLU 611 CO 0.01 0.80 -0.24 1.25 -1.16 0.00 0.00 179.01 179.66 3mof h LEU 612 N 1.01 -0.70 -0.69 1.33 5.85 -0.93 -0.11 115.31 121.08 3mof h LEU 612 Ca 0.25 0.09 0.10 0.00 0.84 0.00 0.00 57.88 59.16 3mof h LEU 612 Cb 0.09 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 3mof h LEU 612 CO -0.04 -0.32 0.30 0.03 -0.34 0.00 0.00 178.44 178.07 3mof h ARG 613 N -0.42 0.49 -0.56 1.25 3.08 -0.89 -0.29 114.38 117.04 3mof h ARG 613 Ca 0.04 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3mof h ARG 613 Cb 0.46 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3mof h ARG 613 CO -0.17 0.32 0.13 0.00 -1.07 0.00 0.00 179.97 179.18 3mof h ALA 614 N 1.45 0.75 -0.17 0.04 0.00 -0.66 0.59 119.26 121.27 3mof h ALA 614 Ca 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3mof h ALA 614 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3mof h ALA 614 CO -0.31 0.46 0.05 1.25 0.00 0.00 0.00 179.25 180.70 3mof h LEU 615 N 0.81 0.24 -0.80 0.00 5.85 -0.64 0.21 115.31 120.98 3mof h LEU 615 Ca 0.18 -0.20 0.11 0.00 0.84 0.00 0.00 57.88 58.81 3mof h LEU 615 Cb 0.36 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 3mof h LEU 615 CO 0.00 0.38 0.42 0.50 -0.34 0.00 0.00 178.44 179.40 3mof h LYS 616 N 0.09 0.64 -0.35 1.25 3.64 -0.84 -0.54 116.57 120.46 3mof h LYS 616 Ca 0.05 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3mof h LYS 616 Cb 0.22 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3mof h LYS 616 CO -0.00 0.43 0.12 0.37 -2.27 0.00 0.00 179.45 178.09 3mof h GLN 617 N 0.66 0.53 -0.57 1.90 5.75 -0.42 -1.75 115.11 121.22 3mof h GLN 617 Ca 0.41 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.78 3mof h GLN 617 Cb 0.48 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 3mof h GLN 617 CO -0.30 0.55 0.30 0.00 -2.65 0.00 0.00 178.83 176.72 3mof h ARG 618 N 0.41 0.80 -0.96 1.69 3.08 -0.15 -2.52 114.38 116.73 3mof h ARG 618 Ca 0.11 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3mof h ARG 618 Cb 0.23 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 3mof h ARG 618 CO -0.01 0.63 0.63 0.82 -1.07 0.00 0.00 179.97 180.98 3mof h ILE 619 N 0.76 1.25 0.00 2.04 1.08 -1.12 -2.55 117.51 118.97 3mof h ILE 619 Ca 0.20 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3mof h ILE 619 Cb 0.07 -0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 33.66 3mof h ILE 619 CO -0.03 0.24 -0.06 0.77 -0.69 0.00 0.00 178.15 178.39 3mof h SER 620 N 1.31 0.00 0.20 1.72 4.64 -0.88 -2.51 113.55 118.03 3mof h SER 620 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3mof h SER 620 Cb -0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3mof h SER 620 CO -0.07 0.06 -0.35 0.00 -0.87 0.00 0.00 176.83 175.59 3mof n GLN 621 N -3.37 0.82 0.00 4.77 1.13 -0.96 -5.10 117.38 114.67 3mof n GLN 621 Ca -0.02 -0.54 0.03 0.00 -1.94 0.00 0.00 57.00 54.53 3mof n GLN 621 Cb 0.21 -1.49 0.17 0.00 0.11 0.00 0.00 30.24 29.24 3mof n GLN 621 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29